USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 452 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 71 GLN : amide:sc= 0.271 X(o=0.11,f=-0.16) USER MOD Set 1.2: A 98 TYR OH : rot 180:sc= -0.156 USER MOD Set 2.1: A 37 THR OG1 : rot 180:sc= 0.183 USER MOD Set 2.2: A 40 CYS SG : rot 92:sc= 0.187 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0117 USER MOD Single : A 13 MET CE :methyl 159:sc= -0.659 (180deg=-1.45) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0823 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0159) USER MOD Single : A 30 LYS NZ :NH3+ -165:sc= -0.0975 (180deg=-0.398) USER MOD Single : A 33 ASN : amide:sc=-0.00717 X(o=-0.0072,f=0) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 CYS SG : rot -15:sc= -2.95! USER MOD Single : A 39 ASN : amide:sc= -1.86! C(o=-1.9!,f=-4.3!) USER MOD Single : A 47 SER OG : rot -57:sc= 0.526 USER MOD Single : A 48 ASN :FLIP amide:sc= 0.572 F(o=-1.3,f=0.57) USER MOD Single : A 49 GLN : amide:sc= -0.018 X(o=-0.018,f=0.078) USER MOD Single : A 50 SER OG : rot -140:sc= 0.032 USER MOD Single : A 53 ASN : amide:sc=-0.00563 X(o=-0.0056,f=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 MET CE :methyl -125:sc= -0.287 (180deg=-1.36) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 TYR OH : rot 130:sc= 0.381 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -60:sc= -0.121 USER MOD Single : A 78 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.04) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN :FLIP amide:sc= -0.79 F(o=-2.2!,f=-0.79) USER MOD Single : A 97 TYR OH : rot -31:sc= 0.17 USER MOD ----------------------------------------------------------------- ATOM 11 N LEU A 6 11.715 -9.195 0.810 1.00 0.00 N ATOM 12 CA LEU A 6 10.700 -8.147 0.855 1.00 0.00 C ATOM 13 C LEU A 6 10.861 -7.190 -0.322 1.00 0.00 C ATOM 14 O LEU A 6 9.880 -6.648 -0.832 1.00 0.00 O ATOM 15 CB LEU A 6 10.795 -7.372 2.170 1.00 0.00 C ATOM 16 CG LEU A 6 9.616 -7.568 3.128 1.00 0.00 C ATOM 17 CD1 LEU A 6 9.966 -7.051 4.514 1.00 0.00 C ATOM 18 CD2 LEU A 6 8.374 -6.871 2.596 1.00 0.00 C ATOM 0 HA LEU A 6 9.720 -8.620 0.790 1.00 0.00 H new ATOM 0 HB2 LEU A 6 11.711 -7.667 2.682 1.00 0.00 H new ATOM 0 HB3 LEU A 6 10.885 -6.310 1.942 1.00 0.00 H new ATOM 0 HG LEU A 6 9.405 -8.635 3.201 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.117 -7.198 5.182 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.829 -7.595 4.898 1.00 0.00 H new ATOM 0 HD13 LEU A 6 10.203 -5.989 4.457 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.547 -7.021 3.290 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.572 -5.804 2.493 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.112 -7.287 1.623 1.00 0.00 H new ATOM 28 N GLY A 7 12.104 -6.988 -0.745 1.00 0.00 N ATOM 29 CA GLY A 7 12.378 -6.096 -1.855 1.00 0.00 C ATOM 30 C GLY A 7 11.845 -6.624 -3.174 1.00 0.00 C ATOM 31 O GLY A 7 11.370 -5.857 -4.009 1.00 0.00 O ATOM 0 H GLY A 7 12.929 -7.428 -0.337 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.933 -5.122 -1.652 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.454 -5.944 -1.937 1.00 0.00 H new ATOM 35 N ALA A 8 11.925 -7.939 -3.357 1.00 0.00 N ATOM 36 CA ALA A 8 11.448 -8.569 -4.583 1.00 0.00 C ATOM 37 C ALA A 8 9.944 -8.379 -4.747 1.00 0.00 C ATOM 38 O ALA A 8 9.478 -7.933 -5.794 1.00 0.00 O ATOM 39 CB ALA A 8 11.801 -10.048 -4.590 1.00 0.00 C ATOM 0 H ALA A 8 12.315 -8.587 -2.673 1.00 0.00 H new ATOM 0 HA ALA A 8 11.943 -8.087 -5.426 1.00 0.00 H new ATOM 0 HB1 ALA A 8 11.438 -10.504 -5.511 1.00 0.00 H new ATOM 0 HB2 ALA A 8 12.883 -10.164 -4.529 1.00 0.00 H new ATOM 0 HB3 ALA A 8 11.335 -10.537 -3.735 1.00 0.00 H new ATOM 45 N LEU A 9 9.192 -8.720 -3.703 1.00 0.00 N ATOM 46 CA LEU A 9 7.739 -8.583 -3.732 1.00 0.00 C ATOM 47 C LEU A 9 7.343 -7.143 -4.029 1.00 0.00 C ATOM 48 O LEU A 9 6.482 -6.884 -4.872 1.00 0.00 O ATOM 49 CB LEU A 9 7.135 -9.029 -2.401 1.00 0.00 C ATOM 50 CG LEU A 9 5.610 -8.946 -2.324 1.00 0.00 C ATOM 51 CD1 LEU A 9 4.993 -10.335 -2.377 1.00 0.00 C ATOM 52 CD2 LEU A 9 5.185 -8.217 -1.060 1.00 0.00 C ATOM 0 H LEU A 9 9.564 -9.092 -2.829 1.00 0.00 H new ATOM 0 HA LEU A 9 7.351 -9.222 -4.526 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.438 -10.058 -2.208 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.558 -8.417 -1.604 1.00 0.00 H new ATOM 0 HG LEU A 9 5.250 -8.383 -3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.908 -10.253 -2.321 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.272 -10.822 -3.311 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.356 -10.927 -1.537 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.097 -8.165 -1.018 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.556 -8.755 -0.188 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.596 -7.208 -1.066 1.00 0.00 H new ATOM 62 N TYR A 10 7.987 -6.207 -3.338 1.00 0.00 N ATOM 63 CA TYR A 10 7.713 -4.790 -3.533 1.00 0.00 C ATOM 64 C TYR A 10 7.944 -4.406 -4.992 1.00 0.00 C ATOM 65 O TYR A 10 7.163 -3.659 -5.583 1.00 0.00 O ATOM 66 CB TYR A 10 8.607 -3.949 -2.615 1.00 0.00 C ATOM 67 CG TYR A 10 8.631 -2.477 -2.959 1.00 0.00 C ATOM 68 CD1 TYR A 10 7.683 -1.608 -2.436 1.00 0.00 C ATOM 69 CD2 TYR A 10 9.604 -1.957 -3.805 1.00 0.00 C ATOM 70 CE1 TYR A 10 7.703 -0.260 -2.748 1.00 0.00 C ATOM 71 CE2 TYR A 10 9.630 -0.613 -4.121 1.00 0.00 C ATOM 72 CZ TYR A 10 8.678 0.231 -3.591 1.00 0.00 C ATOM 73 OH TYR A 10 8.701 1.572 -3.903 1.00 0.00 O ATOM 0 H TYR A 10 8.702 -6.406 -2.638 1.00 0.00 H new ATOM 0 HA TYR A 10 6.671 -4.595 -3.281 1.00 0.00 H new ATOM 0 HB2 TYR A 10 8.266 -4.066 -1.586 1.00 0.00 H new ATOM 0 HB3 TYR A 10 9.624 -4.338 -2.659 1.00 0.00 H new ATOM 0 HD1 TYR A 10 6.918 -1.990 -1.776 1.00 0.00 H new ATOM 0 HD2 TYR A 10 10.352 -2.615 -4.222 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.959 0.404 -2.334 1.00 0.00 H new ATOM 0 HE2 TYR A 10 10.393 -0.225 -4.780 1.00 0.00 H new ATOM 0 HH TYR A 10 9.451 1.754 -4.507 1.00 0.00 H new ATOM 81 N LEU A 11 9.021 -4.933 -5.565 1.00 0.00 N ATOM 82 CA LEU A 11 9.359 -4.657 -6.953 1.00 0.00 C ATOM 83 C LEU A 11 8.286 -5.209 -7.885 1.00 0.00 C ATOM 84 O LEU A 11 8.042 -4.662 -8.961 1.00 0.00 O ATOM 85 CB LEU A 11 10.722 -5.260 -7.297 1.00 0.00 C ATOM 86 CG LEU A 11 11.877 -4.259 -7.352 1.00 0.00 C ATOM 87 CD1 LEU A 11 13.039 -4.739 -6.497 1.00 0.00 C ATOM 88 CD2 LEU A 11 12.323 -4.044 -8.790 1.00 0.00 C ATOM 0 H LEU A 11 9.674 -5.554 -5.087 1.00 0.00 H new ATOM 0 HA LEU A 11 9.410 -3.577 -7.088 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.960 -6.026 -6.559 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.648 -5.760 -8.263 1.00 0.00 H new ATOM 0 HG LEU A 11 11.529 -3.306 -6.953 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.852 -4.015 -6.548 1.00 0.00 H new ATOM 0 HD12 LEU A 11 12.711 -4.844 -5.463 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.389 -5.703 -6.866 1.00 0.00 H new ATOM 0 HD21 LEU A 11 13.146 -3.329 -8.813 1.00 0.00 H new ATOM 0 HD22 LEU A 11 12.654 -4.992 -9.214 1.00 0.00 H new ATOM 0 HD23 LEU A 11 11.489 -3.657 -9.375 1.00 0.00 H new ATOM 98 N SER A 12 7.639 -6.291 -7.458 1.00 0.00 N ATOM 99 CA SER A 12 6.581 -6.907 -8.248 1.00 0.00 C ATOM 100 C SER A 12 5.378 -5.978 -8.335 1.00 0.00 C ATOM 101 O SER A 12 4.718 -5.894 -9.370 1.00 0.00 O ATOM 102 CB SER A 12 6.163 -8.247 -7.637 1.00 0.00 C ATOM 103 OG SER A 12 7.283 -8.939 -7.113 1.00 0.00 O ATOM 0 H SER A 12 7.830 -6.757 -6.571 1.00 0.00 H new ATOM 0 HA SER A 12 6.964 -7.086 -9.253 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.433 -8.078 -6.845 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.675 -8.860 -8.395 1.00 0.00 H new ATOM 0 HG SER A 12 6.990 -9.791 -6.727 1.00 0.00 H new ATOM 107 N MET A 13 5.106 -5.272 -7.241 1.00 0.00 N ATOM 108 CA MET A 13 3.988 -4.335 -7.196 1.00 0.00 C ATOM 109 C MET A 13 4.296 -3.106 -8.042 1.00 0.00 C ATOM 110 O MET A 13 3.394 -2.466 -8.583 1.00 0.00 O ATOM 111 CB MET A 13 3.688 -3.909 -5.756 1.00 0.00 C ATOM 112 CG MET A 13 4.140 -4.914 -4.708 1.00 0.00 C ATOM 113 SD MET A 13 4.273 -4.188 -3.062 1.00 0.00 S ATOM 114 CE MET A 13 2.584 -3.657 -2.788 1.00 0.00 C ATOM 0 H MET A 13 5.643 -5.331 -6.376 1.00 0.00 H new ATOM 0 HA MET A 13 3.109 -4.839 -7.599 1.00 0.00 H new ATOM 0 HB2 MET A 13 4.174 -2.953 -5.562 1.00 0.00 H new ATOM 0 HB3 MET A 13 2.615 -3.748 -5.651 1.00 0.00 H new ATOM 0 HG2 MET A 13 3.435 -5.745 -4.679 1.00 0.00 H new ATOM 0 HG3 MET A 13 5.106 -5.326 -4.998 1.00 0.00 H new ATOM 0 HE1 MET A 13 2.409 -3.538 -1.719 1.00 0.00 H new ATOM 0 HE2 MET A 13 2.416 -2.705 -3.292 1.00 0.00 H new ATOM 0 HE3 MET A 13 1.898 -4.405 -3.187 1.00 0.00 H new ATOM 120 N LYS A 14 5.583 -2.786 -8.149 1.00 0.00 N ATOM 121 CA LYS A 14 6.026 -1.635 -8.929 1.00 0.00 C ATOM 122 C LYS A 14 5.931 -1.921 -10.425 1.00 0.00 C ATOM 123 O LYS A 14 6.146 -1.032 -11.250 1.00 0.00 O ATOM 124 CB LYS A 14 7.465 -1.270 -8.561 1.00 0.00 C ATOM 125 CG LYS A 14 7.583 -0.481 -7.267 1.00 0.00 C ATOM 126 CD LYS A 14 8.308 0.836 -7.482 1.00 0.00 C ATOM 127 CE LYS A 14 9.791 0.622 -7.741 1.00 0.00 C ATOM 128 NZ LYS A 14 10.466 1.876 -8.179 1.00 0.00 N ATOM 0 H LYS A 14 6.338 -3.309 -7.705 1.00 0.00 H new ATOM 0 HA LYS A 14 5.371 -0.795 -8.695 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.051 -2.185 -8.473 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.902 -0.688 -9.372 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.588 -0.288 -6.865 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.117 -1.075 -6.525 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.863 1.364 -8.326 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.179 1.471 -6.605 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.268 0.251 -6.834 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.919 -0.145 -8.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.475 1.687 -8.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.028 2.217 -9.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.366 2.600 -7.439 1.00 0.00 H new ATOM 134 N ASP A 15 5.611 -3.166 -10.766 1.00 0.00 N ATOM 135 CA ASP A 15 5.490 -3.568 -12.163 1.00 0.00 C ATOM 136 C ASP A 15 4.308 -2.873 -12.833 1.00 0.00 C ATOM 137 O ASP A 15 3.700 -1.967 -12.259 1.00 0.00 O ATOM 138 CB ASP A 15 5.334 -5.088 -12.269 1.00 0.00 C ATOM 139 CG ASP A 15 5.841 -5.631 -13.591 1.00 0.00 C ATOM 140 OD1 ASP A 15 6.997 -5.327 -13.954 1.00 0.00 O ATOM 141 OD2 ASP A 15 5.081 -6.359 -14.264 1.00 0.00 O ATOM 0 H ASP A 15 5.431 -3.913 -10.095 1.00 0.00 H new ATOM 0 HA ASP A 15 6.402 -3.268 -12.679 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.876 -5.564 -11.452 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.283 -5.352 -12.150 1.00 0.00 H new ATOM 144 N THR A 16 3.992 -3.298 -14.050 1.00 0.00 N ATOM 145 CA THR A 16 2.890 -2.714 -14.802 1.00 0.00 C ATOM 146 C THR A 16 1.552 -3.341 -14.414 1.00 0.00 C ATOM 147 O THR A 16 0.846 -2.829 -13.545 1.00 0.00 O ATOM 148 CB THR A 16 3.104 -2.875 -16.318 1.00 0.00 C ATOM 149 OG1 THR A 16 3.777 -4.111 -16.590 1.00 0.00 O ATOM 150 CG2 THR A 16 3.918 -1.719 -16.876 1.00 0.00 C ATOM 0 H THR A 16 4.485 -4.046 -14.537 1.00 0.00 H new ATOM 0 HA THR A 16 2.867 -1.653 -14.554 1.00 0.00 H new ATOM 0 HB THR A 16 2.127 -2.878 -16.801 1.00 0.00 H new ATOM 0 HG1 THR A 16 3.908 -4.207 -17.557 1.00 0.00 H new ATOM 0 HG21 THR A 16 4.056 -1.855 -17.949 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.392 -0.782 -16.694 1.00 0.00 H new ATOM 0 HG23 THR A 16 4.891 -1.689 -16.386 1.00 0.00 H new ATOM 158 N GLU A 17 1.208 -4.449 -15.067 1.00 0.00 N ATOM 159 CA GLU A 17 -0.047 -5.141 -14.795 1.00 0.00 C ATOM 160 C GLU A 17 0.130 -6.195 -13.708 1.00 0.00 C ATOM 161 O GLU A 17 -0.796 -6.471 -12.942 1.00 0.00 O ATOM 162 CB GLU A 17 -0.580 -5.792 -16.072 1.00 0.00 C ATOM 163 CG GLU A 17 -2.082 -5.638 -16.250 1.00 0.00 C ATOM 164 CD GLU A 17 -2.869 -6.686 -15.491 1.00 0.00 C ATOM 165 OE1 GLU A 17 -2.437 -7.858 -15.474 1.00 0.00 O ATOM 166 OE2 GLU A 17 -3.920 -6.337 -14.912 1.00 0.00 O ATOM 0 H GLU A 17 1.782 -4.886 -15.788 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.767 -4.404 -14.441 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.073 -5.354 -16.932 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.330 -6.853 -16.061 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.384 -4.647 -15.912 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.327 -5.702 -17.310 1.00 0.00 H new ATOM 169 N LYS A 18 1.320 -6.784 -13.648 1.00 0.00 N ATOM 170 CA LYS A 18 1.616 -7.813 -12.657 1.00 0.00 C ATOM 171 C LYS A 18 1.418 -7.285 -11.241 1.00 0.00 C ATOM 172 O LYS A 18 0.877 -7.981 -10.379 1.00 0.00 O ATOM 173 CB LYS A 18 3.049 -8.322 -12.828 1.00 0.00 C ATOM 174 CG LYS A 18 3.282 -9.051 -14.140 1.00 0.00 C ATOM 175 CD LYS A 18 2.709 -10.459 -14.106 1.00 0.00 C ATOM 176 CE LYS A 18 3.710 -11.452 -13.540 1.00 0.00 C ATOM 177 NZ LYS A 18 4.589 -12.019 -14.600 1.00 0.00 N ATOM 0 H LYS A 18 2.095 -6.566 -14.274 1.00 0.00 H new ATOM 0 HA LYS A 18 0.923 -8.639 -12.816 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.736 -7.478 -12.764 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.289 -8.992 -12.002 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.824 -8.490 -14.955 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.351 -9.097 -14.347 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.802 -10.470 -13.501 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.424 -10.762 -15.114 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.323 -10.959 -12.785 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.177 -12.260 -13.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.258 -12.692 -14.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.007 -12.511 -15.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.117 -11.251 -15.060 1.00 0.00 H new ATOM 183 N GLY A 19 1.856 -6.053 -11.004 1.00 0.00 N ATOM 184 CA GLY A 19 1.715 -5.455 -9.690 1.00 0.00 C ATOM 185 C GLY A 19 0.412 -4.699 -9.532 1.00 0.00 C ATOM 186 O GLY A 19 -0.538 -4.921 -10.285 1.00 0.00 O ATOM 0 H GLY A 19 2.306 -5.458 -11.699 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.772 -6.236 -8.931 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.549 -4.776 -9.512 1.00 0.00 H new ATOM 190 N ILE A 20 0.371 -3.797 -8.557 1.00 0.00 N ATOM 191 CA ILE A 20 -0.821 -2.996 -8.305 1.00 0.00 C ATOM 192 C ILE A 20 -1.090 -2.045 -9.469 1.00 0.00 C ATOM 193 O ILE A 20 -0.468 -2.152 -10.526 1.00 0.00 O ATOM 194 CB ILE A 20 -0.684 -2.180 -6.999 1.00 0.00 C ATOM 195 CG1 ILE A 20 0.344 -1.060 -7.170 1.00 0.00 C ATOM 196 CG2 ILE A 20 -0.295 -3.086 -5.840 1.00 0.00 C ATOM 197 CD1 ILE A 20 -0.183 0.301 -6.779 1.00 0.00 C ATOM 0 H ILE A 20 1.150 -3.602 -7.928 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.659 -3.686 -8.201 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.651 -1.729 -6.774 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.223 -1.288 -6.567 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.669 -1.031 -8.210 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.203 -2.493 -4.930 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.061 -3.848 -5.701 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.659 -3.566 -6.058 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.597 1.049 -6.925 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.044 0.549 -7.399 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.482 0.288 -5.731 1.00 0.00 H new ATOM 207 N LYS A 21 -2.011 -1.110 -9.267 1.00 0.00 N ATOM 208 CA LYS A 21 -2.353 -0.144 -10.281 1.00 0.00 C ATOM 209 C LYS A 21 -1.322 0.960 -10.320 1.00 0.00 C ATOM 210 O LYS A 21 -0.168 0.786 -9.930 1.00 0.00 O ATOM 211 CB LYS A 21 -3.741 0.438 -9.996 1.00 0.00 C ATOM 212 CG LYS A 21 -4.858 -0.590 -10.073 1.00 0.00 C ATOM 213 CD LYS A 21 -6.197 0.015 -9.688 1.00 0.00 C ATOM 214 CE LYS A 21 -7.253 -0.258 -10.747 1.00 0.00 C ATOM 215 NZ LYS A 21 -8.580 -0.558 -10.144 1.00 0.00 N ATOM 0 H LYS A 21 -2.534 -1.008 -8.397 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.368 -0.639 -11.252 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.740 0.888 -9.003 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.944 1.237 -10.709 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.916 -0.991 -11.085 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.631 -1.426 -9.411 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.523 -0.396 -8.733 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.086 1.091 -9.551 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.340 0.607 -11.404 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.937 -1.098 -11.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.272 -0.738 -10.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.503 -1.399 -9.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.894 0.253 -9.574 1.00 0.00 H new ATOM 221 N GLU A 22 -1.769 2.089 -10.799 1.00 0.00 N ATOM 222 CA GLU A 22 -0.933 3.271 -10.919 1.00 0.00 C ATOM 223 C GLU A 22 -1.771 4.502 -11.247 1.00 0.00 C ATOM 224 O GLU A 22 -2.052 4.784 -12.412 1.00 0.00 O ATOM 225 CB GLU A 22 0.135 3.065 -11.995 1.00 0.00 C ATOM 226 CG GLU A 22 -0.371 2.319 -13.219 1.00 0.00 C ATOM 227 CD GLU A 22 0.598 2.383 -14.383 1.00 0.00 C ATOM 228 OE1 GLU A 22 1.741 1.902 -14.231 1.00 0.00 O ATOM 229 OE2 GLU A 22 0.214 2.915 -15.446 1.00 0.00 O ATOM 0 H GLU A 22 -2.727 2.224 -11.121 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.443 3.433 -9.959 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.519 4.037 -12.305 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.971 2.515 -11.564 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.549 1.276 -12.956 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.329 2.739 -13.525 1.00 0.00 H new ATOM 232 N LEU A 23 -2.162 5.237 -10.210 1.00 0.00 N ATOM 233 CA LEU A 23 -2.963 6.442 -10.388 1.00 0.00 C ATOM 234 C LEU A 23 -2.364 7.610 -9.612 1.00 0.00 C ATOM 235 O LEU A 23 -2.154 7.525 -8.403 1.00 0.00 O ATOM 236 CB LEU A 23 -4.403 6.198 -9.933 1.00 0.00 C ATOM 237 CG LEU A 23 -5.430 6.106 -11.060 1.00 0.00 C ATOM 238 CD1 LEU A 23 -5.284 4.787 -11.801 1.00 0.00 C ATOM 239 CD2 LEU A 23 -6.841 6.258 -10.509 1.00 0.00 C ATOM 0 H LEU A 23 -1.937 5.019 -9.239 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.964 6.693 -11.449 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.434 5.273 -9.357 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.696 7.003 -9.259 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.248 6.919 -11.763 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.022 4.736 -12.601 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.283 4.717 -12.226 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.442 3.961 -11.108 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.560 6.190 -11.326 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.037 5.466 -9.786 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.938 7.227 -10.020 1.00 0.00 H new ATOM 249 N ASN A 24 -2.092 8.698 -10.322 1.00 0.00 N ATOM 250 CA ASN A 24 -1.516 9.889 -9.709 1.00 0.00 C ATOM 251 C ASN A 24 -2.568 10.650 -8.909 1.00 0.00 C ATOM 252 O ASN A 24 -3.478 11.255 -9.477 1.00 0.00 O ATOM 253 CB ASN A 24 -0.918 10.800 -10.783 1.00 0.00 C ATOM 254 CG ASN A 24 0.383 10.260 -11.341 1.00 0.00 C ATOM 255 OD1 ASN A 24 1.405 10.188 -10.496 1.00 0.00 O flip ATOM 256 ND2 ASN A 24 0.470 9.911 -12.519 1.00 0.00 N flip ATOM 0 H ASN A 24 -2.261 8.780 -11.324 1.00 0.00 H new ATOM 0 HA ASN A 24 -0.726 9.573 -9.028 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.636 10.920 -11.594 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.746 11.790 -10.361 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -0.341 9.983 -13.134 1.00 0.00 H new ATOM 0 HD22 ASN A 24 1.353 9.550 -12.880 1.00 0.00 H new ATOM 261 N LEU A 25 -2.436 10.615 -7.587 1.00 0.00 N ATOM 262 CA LEU A 25 -3.372 11.302 -6.703 1.00 0.00 C ATOM 263 C LEU A 25 -2.903 12.728 -6.438 1.00 0.00 C ATOM 264 O LEU A 25 -1.862 12.945 -5.816 1.00 0.00 O ATOM 265 CB LEU A 25 -3.503 10.540 -5.383 1.00 0.00 C ATOM 266 CG LEU A 25 -4.921 10.447 -4.819 1.00 0.00 C ATOM 267 CD1 LEU A 25 -5.335 8.990 -4.659 1.00 0.00 C ATOM 268 CD2 LEU A 25 -5.011 11.177 -3.487 1.00 0.00 C ATOM 0 H LEU A 25 -1.689 10.117 -7.103 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.347 11.340 -7.189 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.120 9.530 -5.526 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.865 11.020 -4.641 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.605 10.924 -5.521 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.347 8.941 -4.256 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.306 8.495 -5.630 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.648 8.490 -3.976 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.027 11.102 -3.099 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.317 10.727 -2.778 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.754 12.227 -3.629 1.00 0.00 H new ATOM 278 N GLU A 26 -3.671 13.701 -6.923 1.00 0.00 N ATOM 279 CA GLU A 26 -3.322 15.106 -6.745 1.00 0.00 C ATOM 280 C GLU A 26 -4.006 15.697 -5.515 1.00 0.00 C ATOM 281 O GLU A 26 -5.145 15.355 -5.196 1.00 0.00 O ATOM 282 CB GLU A 26 -3.709 15.907 -7.990 1.00 0.00 C ATOM 283 CG GLU A 26 -3.371 17.385 -7.892 1.00 0.00 C ATOM 284 CD GLU A 26 -3.990 18.201 -9.011 1.00 0.00 C ATOM 285 OE1 GLU A 26 -3.602 17.998 -10.180 1.00 0.00 O ATOM 286 OE2 GLU A 26 -4.863 19.043 -8.717 1.00 0.00 O ATOM 0 H GLU A 26 -4.536 13.542 -7.440 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.244 15.166 -6.596 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.201 15.483 -8.857 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.780 15.798 -8.163 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.717 17.770 -6.933 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.288 17.508 -7.914 1.00 0.00 H new ATOM 289 N LYS A 27 -3.298 16.596 -4.837 1.00 0.00 N ATOM 290 CA LYS A 27 -3.823 17.255 -3.647 1.00 0.00 C ATOM 291 C LYS A 27 -3.703 18.770 -3.788 1.00 0.00 C ATOM 292 O LYS A 27 -3.477 19.279 -4.886 1.00 0.00 O ATOM 293 CB LYS A 27 -3.069 16.776 -2.401 1.00 0.00 C ATOM 294 CG LYS A 27 -3.906 16.789 -1.129 1.00 0.00 C ATOM 295 CD LYS A 27 -5.003 15.739 -1.166 1.00 0.00 C ATOM 296 CE LYS A 27 -6.315 16.287 -0.627 1.00 0.00 C ATOM 297 NZ LYS A 27 -6.842 15.468 0.499 1.00 0.00 N ATOM 0 H LYS A 27 -2.354 16.885 -5.094 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.876 16.997 -3.539 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.706 15.763 -2.575 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.193 17.407 -2.254 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.262 16.612 -0.268 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.351 17.775 -0.996 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.144 15.395 -2.190 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.700 14.873 -0.578 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.168 17.313 -0.291 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.052 16.317 -1.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.737 15.877 0.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.007 14.494 0.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.151 15.460 1.276 1.00 0.00 H new ATOM 303 N ASP A 28 -3.850 19.489 -2.679 1.00 0.00 N ATOM 304 CA ASP A 28 -3.752 20.944 -2.697 1.00 0.00 C ATOM 305 C ASP A 28 -2.378 21.382 -3.193 1.00 0.00 C ATOM 306 O ASP A 28 -2.263 22.073 -4.206 1.00 0.00 O ATOM 307 CB ASP A 28 -4.007 21.514 -1.301 1.00 0.00 C ATOM 308 CG ASP A 28 -4.543 22.931 -1.343 1.00 0.00 C ATOM 309 OD1 ASP A 28 -4.027 23.738 -2.144 1.00 0.00 O ATOM 310 OD2 ASP A 28 -5.480 23.234 -0.574 1.00 0.00 O ATOM 0 H ASP A 28 -4.037 19.089 -1.760 1.00 0.00 H new ATOM 0 HA ASP A 28 -4.510 21.328 -3.379 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.717 20.876 -0.775 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -3.079 21.497 -0.730 1.00 0.00 H new ATOM 313 N LYS A 29 -1.341 20.969 -2.473 1.00 0.00 N ATOM 314 CA LYS A 29 0.031 21.308 -2.836 1.00 0.00 C ATOM 315 C LYS A 29 0.904 20.058 -2.845 1.00 0.00 C ATOM 316 O LYS A 29 2.116 20.133 -3.055 1.00 0.00 O ATOM 317 CB LYS A 29 0.602 22.338 -1.856 1.00 0.00 C ATOM 318 CG LYS A 29 1.765 23.138 -2.423 1.00 0.00 C ATOM 319 CD LYS A 29 1.373 24.583 -2.687 1.00 0.00 C ATOM 320 CE LYS A 29 1.691 24.993 -4.116 1.00 0.00 C ATOM 321 NZ LYS A 29 0.802 24.313 -5.099 1.00 0.00 N ATOM 0 H LYS A 29 -1.424 20.397 -1.632 1.00 0.00 H new ATOM 0 HA LYS A 29 0.025 21.739 -3.837 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.191 23.025 -1.561 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.931 21.824 -0.953 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.602 23.109 -1.725 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.107 22.678 -3.350 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.307 24.712 -2.499 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.901 25.237 -1.993 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.584 26.073 -4.216 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.730 24.753 -4.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.957 24.717 -6.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.019 23.296 -5.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.191 24.450 -4.822 1.00 0.00 H new ATOM 327 N LYS A 30 0.279 18.906 -2.614 1.00 0.00 N ATOM 328 CA LYS A 30 0.995 17.635 -2.592 1.00 0.00 C ATOM 329 C LYS A 30 0.735 16.841 -3.868 1.00 0.00 C ATOM 330 O LYS A 30 -0.391 16.794 -4.364 1.00 0.00 O ATOM 331 CB LYS A 30 0.575 16.810 -1.373 1.00 0.00 C ATOM 332 CG LYS A 30 0.570 17.598 -0.075 1.00 0.00 C ATOM 333 CD LYS A 30 1.302 16.853 1.031 1.00 0.00 C ATOM 334 CE LYS A 30 1.300 17.639 2.332 1.00 0.00 C ATOM 335 NZ LYS A 30 1.764 19.041 2.137 1.00 0.00 N ATOM 0 H LYS A 30 -0.723 18.828 -2.439 1.00 0.00 H new ATOM 0 HA LYS A 30 2.062 17.850 -2.529 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.422 16.405 -1.546 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.251 15.961 -1.270 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.040 18.568 -0.235 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.458 17.789 0.232 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.831 15.883 1.191 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.330 16.661 0.723 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.294 17.645 2.751 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.944 17.141 3.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.991 19.463 3.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.613 19.045 1.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.013 19.595 1.678 1.00 0.00 H new ATOM 341 N ILE A 31 1.784 16.214 -4.388 1.00 0.00 N ATOM 342 CA ILE A 31 1.673 15.415 -5.603 1.00 0.00 C ATOM 343 C ILE A 31 1.960 13.944 -5.314 1.00 0.00 C ATOM 344 O ILE A 31 3.084 13.475 -5.481 1.00 0.00 O ATOM 345 CB ILE A 31 2.640 15.914 -6.697 1.00 0.00 C ATOM 346 CG1 ILE A 31 2.575 17.442 -6.819 1.00 0.00 C ATOM 347 CG2 ILE A 31 2.321 15.252 -8.031 1.00 0.00 C ATOM 348 CD1 ILE A 31 1.214 17.971 -7.224 1.00 0.00 C ATOM 0 H ILE A 31 2.721 16.243 -3.987 1.00 0.00 H new ATOM 0 HA ILE A 31 0.650 15.521 -5.963 1.00 0.00 H new ATOM 0 HB ILE A 31 3.656 15.639 -6.412 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.856 17.885 -5.863 1.00 0.00 H new ATOM 0 HG13 ILE A 31 3.313 17.769 -7.551 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.012 15.615 -8.792 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.423 14.171 -7.934 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.299 15.496 -8.323 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.251 19.058 -7.288 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.938 17.559 -8.195 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.473 17.676 -6.481 1.00 0.00 H new ATOM 358 N PHE A 32 0.932 13.222 -4.874 1.00 0.00 N ATOM 359 CA PHE A 32 1.073 11.806 -4.557 1.00 0.00 C ATOM 360 C PHE A 32 1.246 10.976 -5.825 1.00 0.00 C ATOM 361 O PHE A 32 0.314 10.832 -6.617 1.00 0.00 O ATOM 362 CB PHE A 32 -0.145 11.312 -3.771 1.00 0.00 C ATOM 363 CG PHE A 32 -0.489 12.176 -2.589 1.00 0.00 C ATOM 364 CD1 PHE A 32 0.453 12.436 -1.607 1.00 0.00 C ATOM 365 CD2 PHE A 32 -1.754 12.729 -2.462 1.00 0.00 C ATOM 366 CE1 PHE A 32 0.141 13.230 -0.520 1.00 0.00 C ATOM 367 CE2 PHE A 32 -2.072 13.524 -1.377 1.00 0.00 C ATOM 368 CZ PHE A 32 -1.123 13.775 -0.405 1.00 0.00 C ATOM 0 H PHE A 32 -0.006 13.595 -4.730 1.00 0.00 H new ATOM 0 HA PHE A 32 1.966 11.686 -3.943 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.005 11.266 -4.440 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.044 10.296 -3.425 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.443 12.013 -1.692 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.499 12.536 -3.219 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.885 13.424 0.239 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -3.061 13.948 -1.289 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.369 14.396 0.443 1.00 0.00 H new ATOM 376 N ASN A 33 2.445 10.432 -6.011 1.00 0.00 N ATOM 377 CA ASN A 33 2.742 9.615 -7.182 1.00 0.00 C ATOM 378 C ASN A 33 2.284 8.178 -6.973 1.00 0.00 C ATOM 379 O ASN A 33 2.776 7.478 -6.083 1.00 0.00 O ATOM 380 CB ASN A 33 4.241 9.649 -7.490 1.00 0.00 C ATOM 381 CG ASN A 33 4.727 11.042 -7.839 1.00 0.00 C ATOM 382 OD1 ASN A 33 4.780 11.419 -9.010 1.00 0.00 O ATOM 383 ND2 ASN A 33 5.085 11.817 -6.821 1.00 0.00 N ATOM 0 H ASN A 33 3.227 10.543 -5.365 1.00 0.00 H new ATOM 0 HA ASN A 33 2.197 10.030 -8.030 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.795 9.279 -6.627 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.454 8.974 -8.319 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.420 12.765 -6.995 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.025 11.464 -5.866 1.00 0.00 H new ATOM 388 N HIS A 34 1.335 7.747 -7.799 1.00 0.00 N ATOM 389 CA HIS A 34 0.795 6.397 -7.714 1.00 0.00 C ATOM 390 C HIS A 34 0.266 6.115 -6.312 1.00 0.00 C ATOM 391 O HIS A 34 0.728 5.194 -5.638 1.00 0.00 O ATOM 392 CB HIS A 34 1.863 5.365 -8.094 1.00 0.00 C ATOM 393 CG HIS A 34 2.595 5.693 -9.359 1.00 0.00 C ATOM 394 ND1 HIS A 34 3.961 5.563 -9.495 1.00 0.00 N ATOM 395 CD2 HIS A 34 2.144 6.148 -10.554 1.00 0.00 C ATOM 396 CE1 HIS A 34 4.318 5.922 -10.714 1.00 0.00 C ATOM 397 NE2 HIS A 34 3.234 6.280 -11.377 1.00 0.00 N ATOM 0 H HIS A 34 0.924 8.318 -8.538 1.00 0.00 H new ATOM 0 HA HIS A 34 -0.033 6.318 -8.419 1.00 0.00 H new ATOM 0 HB2 HIS A 34 2.582 5.283 -7.279 1.00 0.00 H new ATOM 0 HB3 HIS A 34 1.390 4.389 -8.201 1.00 0.00 H new ATOM 0 HD2 HIS A 34 1.118 6.366 -10.810 1.00 0.00 H new ATOM 0 HE1 HIS A 34 5.326 5.923 -11.103 1.00 0.00 H new ATOM 0 HE2 HIS A 34 3.211 6.603 -12.344 1.00 0.00 H new ATOM 404 N CYS A 35 -0.703 6.914 -5.877 1.00 0.00 N ATOM 405 CA CYS A 35 -1.294 6.746 -4.555 1.00 0.00 C ATOM 406 C CYS A 35 -2.498 5.818 -4.624 1.00 0.00 C ATOM 407 O CYS A 35 -3.305 5.902 -5.551 1.00 0.00 O ATOM 408 CB CYS A 35 -1.702 8.097 -3.969 1.00 0.00 C ATOM 409 SG CYS A 35 -2.191 8.029 -2.230 1.00 0.00 S ATOM 0 H CYS A 35 -1.095 7.683 -6.420 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.544 6.299 -3.902 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.870 8.793 -4.074 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.530 8.499 -4.553 1.00 0.00 H new ATOM 0 HG CYS A 35 -2.408 6.794 -1.888 1.00 0.00 H new ATOM 413 N PHE A 36 -2.604 4.924 -3.650 1.00 0.00 N ATOM 414 CA PHE A 36 -3.703 3.971 -3.615 1.00 0.00 C ATOM 415 C PHE A 36 -4.217 3.765 -2.195 1.00 0.00 C ATOM 416 O PHE A 36 -3.847 4.498 -1.278 1.00 0.00 O ATOM 417 CB PHE A 36 -3.260 2.632 -4.217 1.00 0.00 C ATOM 418 CG PHE A 36 -1.837 2.243 -3.892 1.00 0.00 C ATOM 419 CD1 PHE A 36 -0.766 2.870 -4.516 1.00 0.00 C ATOM 420 CD2 PHE A 36 -1.571 1.237 -2.977 1.00 0.00 C ATOM 421 CE1 PHE A 36 0.535 2.503 -4.229 1.00 0.00 C ATOM 422 CE2 PHE A 36 -0.270 0.869 -2.687 1.00 0.00 C ATOM 423 CZ PHE A 36 0.783 1.503 -3.315 1.00 0.00 C ATOM 0 H PHE A 36 -1.944 4.839 -2.877 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.520 4.379 -4.210 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.929 1.848 -3.861 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.373 2.679 -5.300 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.952 3.654 -5.235 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.390 0.734 -2.484 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.357 3.000 -4.722 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.078 0.085 -1.969 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.799 1.215 -3.090 1.00 0.00 H new ATOM 431 N THR A 37 -5.073 2.764 -2.021 1.00 0.00 N ATOM 432 CA THR A 37 -5.640 2.459 -0.714 1.00 0.00 C ATOM 433 C THR A 37 -4.911 1.289 -0.063 1.00 0.00 C ATOM 434 O THR A 37 -4.359 0.431 -0.751 1.00 0.00 O ATOM 435 CB THR A 37 -7.139 2.121 -0.816 1.00 0.00 C ATOM 436 OG1 THR A 37 -7.335 1.023 -1.715 1.00 0.00 O ATOM 437 CG2 THR A 37 -7.934 3.325 -1.298 1.00 0.00 C ATOM 0 H THR A 37 -5.390 2.149 -2.771 1.00 0.00 H new ATOM 0 HA THR A 37 -5.518 3.351 -0.099 1.00 0.00 H new ATOM 0 HB THR A 37 -7.494 1.845 0.177 1.00 0.00 H new ATOM 0 HG1 THR A 37 -8.291 0.814 -1.773 1.00 0.00 H new ATOM 0 HG21 THR A 37 -8.990 3.062 -1.362 1.00 0.00 H new ATOM 0 HG22 THR A 37 -7.807 4.149 -0.596 1.00 0.00 H new ATOM 0 HG23 THR A 37 -7.575 3.628 -2.282 1.00 0.00 H new ATOM 445 N GLY A 38 -4.910 1.264 1.266 1.00 0.00 N ATOM 446 CA GLY A 38 -4.244 0.194 1.985 1.00 0.00 C ATOM 447 C GLY A 38 -4.903 -1.153 1.762 1.00 0.00 C ATOM 448 O GLY A 38 -4.242 -2.190 1.810 1.00 0.00 O ATOM 0 H GLY A 38 -5.358 1.965 1.857 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.202 0.142 1.669 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.243 0.422 3.051 1.00 0.00 H new ATOM 452 N ASN A 39 -6.210 -1.137 1.519 1.00 0.00 N ATOM 453 CA ASN A 39 -6.961 -2.367 1.290 1.00 0.00 C ATOM 454 C ASN A 39 -6.676 -2.930 -0.099 1.00 0.00 C ATOM 455 O ASN A 39 -6.992 -4.084 -0.388 1.00 0.00 O ATOM 456 CB ASN A 39 -8.462 -2.111 1.449 1.00 0.00 C ATOM 457 CG ASN A 39 -9.234 -3.378 1.760 1.00 0.00 C ATOM 458 OD1 ASN A 39 -8.833 -4.171 2.612 1.00 0.00 O ATOM 459 ND2 ASN A 39 -10.350 -3.575 1.068 1.00 0.00 N ATOM 0 H ASN A 39 -6.771 -0.286 1.476 1.00 0.00 H new ATOM 0 HA ASN A 39 -6.642 -3.099 2.032 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.622 -1.386 2.247 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -8.851 -1.667 0.533 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.912 -4.410 1.233 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.645 -2.891 0.371 1.00 0.00 H new ATOM 464 N CYS A 40 -6.076 -2.107 -0.953 1.00 0.00 N ATOM 465 CA CYS A 40 -5.747 -2.521 -2.313 1.00 0.00 C ATOM 466 C CYS A 40 -4.609 -3.536 -2.310 1.00 0.00 C ATOM 467 O CYS A 40 -4.700 -4.586 -2.946 1.00 0.00 O ATOM 468 CB CYS A 40 -5.361 -1.306 -3.160 1.00 0.00 C ATOM 469 SG CYS A 40 -6.660 -0.747 -4.285 1.00 0.00 S ATOM 0 H CYS A 40 -5.808 -1.149 -0.728 1.00 0.00 H new ATOM 0 HA CYS A 40 -6.629 -2.991 -2.747 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -5.092 -0.484 -2.496 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.472 -1.550 -3.742 1.00 0.00 H new ATOM 0 HG CYS A 40 -7.383 0.160 -3.697 1.00 0.00 H new ATOM 473 N VAL A 41 -3.539 -3.216 -1.589 1.00 0.00 N ATOM 474 CA VAL A 41 -2.385 -4.101 -1.499 1.00 0.00 C ATOM 475 C VAL A 41 -2.774 -5.440 -0.886 1.00 0.00 C ATOM 476 O VAL A 41 -2.202 -6.478 -1.223 1.00 0.00 O ATOM 477 CB VAL A 41 -1.256 -3.472 -0.661 1.00 0.00 C ATOM 478 CG1 VAL A 41 -0.027 -4.365 -0.662 1.00 0.00 C ATOM 479 CG2 VAL A 41 -0.914 -2.087 -1.184 1.00 0.00 C ATOM 0 H VAL A 41 -3.448 -2.350 -1.059 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.024 -4.258 -2.515 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.604 -3.374 0.367 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.759 -3.903 -0.065 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.282 -5.336 -0.237 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.325 -4.498 -1.685 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.115 -1.657 -0.580 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.586 -2.160 -2.221 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.795 -1.448 -1.126 1.00 0.00 H new ATOM 489 N ILE A 42 -3.754 -5.413 0.011 1.00 0.00 N ATOM 490 CA ILE A 42 -4.222 -6.629 0.664 1.00 0.00 C ATOM 491 C ILE A 42 -4.915 -7.545 -0.336 1.00 0.00 C ATOM 492 O ILE A 42 -4.664 -8.750 -0.366 1.00 0.00 O ATOM 493 CB ILE A 42 -5.198 -6.322 1.817 1.00 0.00 C ATOM 494 CG1 ILE A 42 -4.711 -5.120 2.635 1.00 0.00 C ATOM 495 CG2 ILE A 42 -5.366 -7.544 2.705 1.00 0.00 C ATOM 496 CD1 ILE A 42 -3.503 -5.410 3.506 1.00 0.00 C ATOM 0 H ILE A 42 -4.239 -4.564 0.302 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.342 -7.125 1.073 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.168 -6.069 1.390 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.466 -4.306 1.953 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.527 -4.771 3.268 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -6.058 -7.313 3.515 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.761 -8.371 2.115 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.399 -7.826 3.123 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.223 -4.509 4.051 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.747 -6.201 4.215 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.670 -5.729 2.879 1.00 0.00 H new ATOM 506 N ASP A 43 -5.788 -6.967 -1.157 1.00 0.00 N ATOM 507 CA ASP A 43 -6.516 -7.734 -2.163 1.00 0.00 C ATOM 508 C ASP A 43 -5.565 -8.264 -3.232 1.00 0.00 C ATOM 509 O ASP A 43 -5.746 -9.367 -3.746 1.00 0.00 O ATOM 510 CB ASP A 43 -7.601 -6.871 -2.812 1.00 0.00 C ATOM 511 CG ASP A 43 -8.999 -7.294 -2.401 1.00 0.00 C ATOM 512 OD1 ASP A 43 -9.298 -7.256 -1.190 1.00 0.00 O ATOM 513 OD2 ASP A 43 -9.791 -7.665 -3.292 1.00 0.00 O ATOM 0 H ASP A 43 -6.008 -5.971 -1.145 1.00 0.00 H new ATOM 0 HA ASP A 43 -6.988 -8.581 -1.666 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -7.444 -5.828 -2.537 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.510 -6.932 -3.896 1.00 0.00 H new ATOM 516 N TRP A 44 -4.549 -7.469 -3.560 1.00 0.00 N ATOM 517 CA TRP A 44 -3.564 -7.855 -4.565 1.00 0.00 C ATOM 518 C TRP A 44 -2.723 -9.029 -4.072 1.00 0.00 C ATOM 519 O TRP A 44 -2.609 -10.052 -4.748 1.00 0.00 O ATOM 520 CB TRP A 44 -2.658 -6.669 -4.905 1.00 0.00 C ATOM 521 CG TRP A 44 -1.647 -6.975 -5.969 1.00 0.00 C ATOM 522 CD1 TRP A 44 -1.854 -6.997 -7.318 1.00 0.00 C ATOM 523 CD2 TRP A 44 -0.268 -7.309 -5.770 1.00 0.00 C ATOM 524 NE1 TRP A 44 -0.691 -7.320 -7.969 1.00 0.00 N ATOM 525 CE2 TRP A 44 0.299 -7.517 -7.040 1.00 0.00 C ATOM 526 CE3 TRP A 44 0.543 -7.450 -4.641 1.00 0.00 C ATOM 527 CZ2 TRP A 44 1.637 -7.859 -7.213 1.00 0.00 C ATOM 528 CZ3 TRP A 44 1.870 -7.790 -4.812 1.00 0.00 C ATOM 529 CH2 TRP A 44 2.407 -7.990 -6.089 1.00 0.00 C ATOM 0 H TRP A 44 -4.387 -6.552 -3.143 1.00 0.00 H new ATOM 0 HA TRP A 44 -4.097 -8.163 -5.465 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.275 -5.832 -5.231 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.138 -6.349 -4.002 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -2.797 -6.790 -7.802 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.580 -7.401 -8.980 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.139 -7.296 -3.652 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 2.052 -8.015 -8.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.505 -7.904 -3.946 1.00 0.00 H new ATOM 0 HH2 TRP A 44 3.450 -8.253 -6.189 1.00 0.00 H new ATOM 538 N LEU A 45 -2.144 -8.872 -2.886 1.00 0.00 N ATOM 539 CA LEU A 45 -1.320 -9.916 -2.288 1.00 0.00 C ATOM 540 C LEU A 45 -2.124 -11.201 -2.122 1.00 0.00 C ATOM 541 O LEU A 45 -1.632 -12.297 -2.386 1.00 0.00 O ATOM 542 CB LEU A 45 -0.796 -9.456 -0.925 1.00 0.00 C ATOM 543 CG LEU A 45 0.702 -9.148 -0.868 1.00 0.00 C ATOM 544 CD1 LEU A 45 0.976 -7.731 -1.343 1.00 0.00 C ATOM 545 CD2 LEU A 45 1.228 -9.344 0.544 1.00 0.00 C ATOM 0 H LEU A 45 -2.231 -8.029 -2.319 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.477 -10.111 -2.950 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.345 -8.563 -0.626 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.019 -10.229 -0.189 1.00 0.00 H new ATOM 0 HG LEU A 45 1.221 -9.839 -1.533 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.047 -7.532 -1.295 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.632 -7.619 -2.371 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.446 -7.024 -0.704 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.295 -9.121 0.569 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.702 -8.675 1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.066 -10.377 0.853 1.00 0.00 H new ATOM 555 N VAL A 46 -3.368 -11.046 -1.681 1.00 0.00 N ATOM 556 CA VAL A 46 -4.261 -12.179 -1.471 1.00 0.00 C ATOM 557 C VAL A 46 -4.632 -12.835 -2.800 1.00 0.00 C ATOM 558 O VAL A 46 -4.826 -14.050 -2.869 1.00 0.00 O ATOM 559 CB VAL A 46 -5.538 -11.732 -0.720 1.00 0.00 C ATOM 560 CG1 VAL A 46 -6.672 -12.731 -0.895 1.00 0.00 C ATOM 561 CG2 VAL A 46 -5.237 -11.522 0.755 1.00 0.00 C ATOM 0 H VAL A 46 -3.782 -10.140 -1.461 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.735 -12.914 -0.861 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.863 -10.786 -1.153 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.551 -12.382 -0.353 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.913 -12.827 -1.954 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.366 -13.701 -0.504 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.145 -11.208 1.270 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.877 -12.455 1.189 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.473 -10.753 0.864 1.00 0.00 H new ATOM 571 N SER A 47 -4.721 -12.028 -3.850 1.00 0.00 N ATOM 572 CA SER A 47 -5.061 -12.534 -5.175 1.00 0.00 C ATOM 573 C SER A 47 -3.854 -13.203 -5.824 1.00 0.00 C ATOM 574 O SER A 47 -3.961 -13.791 -6.902 1.00 0.00 O ATOM 575 CB SER A 47 -5.570 -11.398 -6.063 1.00 0.00 C ATOM 576 OG SER A 47 -4.524 -10.862 -6.856 1.00 0.00 O ATOM 0 H SER A 47 -4.563 -11.021 -3.810 1.00 0.00 H new ATOM 0 HA SER A 47 -5.850 -13.277 -5.063 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.368 -11.766 -6.708 1.00 0.00 H new ATOM 0 HB3 SER A 47 -6.000 -10.612 -5.442 1.00 0.00 H new ATOM 0 HG SER A 47 -3.795 -10.559 -6.275 1.00 0.00 H new ATOM 580 N ASN A 48 -2.704 -13.109 -5.162 1.00 0.00 N ATOM 581 CA ASN A 48 -1.473 -13.701 -5.673 1.00 0.00 C ATOM 582 C ASN A 48 -1.127 -14.979 -4.914 1.00 0.00 C ATOM 583 O ASN A 48 -1.973 -15.557 -4.233 1.00 0.00 O ATOM 584 CB ASN A 48 -0.321 -12.702 -5.566 1.00 0.00 C ATOM 585 CG ASN A 48 -0.440 -11.568 -6.563 1.00 0.00 C ATOM 586 OD1 ASN A 48 -0.875 -11.888 -7.777 1.00 0.00 O flip ATOM 587 ND2 ASN A 48 -0.145 -10.416 -6.248 1.00 0.00 N flip ATOM 0 H ASN A 48 -2.600 -12.627 -4.269 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.629 -13.955 -6.722 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.293 -12.292 -4.556 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.623 -13.223 -5.725 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.185 -10.214 -5.304 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.231 -9.663 -6.931 1.00 0.00 H new ATOM 592 N GLN A 49 0.124 -15.414 -5.039 1.00 0.00 N ATOM 593 CA GLN A 49 0.586 -16.623 -4.367 1.00 0.00 C ATOM 594 C GLN A 49 1.256 -16.288 -3.039 1.00 0.00 C ATOM 595 O GLN A 49 1.729 -17.178 -2.331 1.00 0.00 O ATOM 596 CB GLN A 49 1.559 -17.390 -5.263 1.00 0.00 C ATOM 597 CG GLN A 49 1.474 -18.899 -5.099 1.00 0.00 C ATOM 598 CD GLN A 49 2.801 -19.520 -4.704 1.00 0.00 C ATOM 599 OE1 GLN A 49 3.519 -18.991 -3.856 1.00 0.00 O ATOM 600 NE2 GLN A 49 3.133 -20.648 -5.321 1.00 0.00 N ATOM 0 H GLN A 49 0.836 -14.946 -5.600 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.283 -17.249 -4.166 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.361 -17.134 -6.304 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.576 -17.065 -5.043 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.727 -19.137 -4.342 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.133 -19.344 -6.034 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.507 -21.051 -6.018 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.014 -21.111 -5.098 1.00 0.00 H new ATOM 605 N SER A 50 1.296 -15.001 -2.707 1.00 0.00 N ATOM 606 CA SER A 50 1.911 -14.553 -1.462 1.00 0.00 C ATOM 607 C SER A 50 1.064 -14.967 -0.262 1.00 0.00 C ATOM 608 O SER A 50 1.450 -15.845 0.509 1.00 0.00 O ATOM 609 CB SER A 50 2.093 -13.034 -1.473 1.00 0.00 C ATOM 610 OG SER A 50 1.094 -12.405 -2.255 1.00 0.00 O ATOM 0 H SER A 50 0.911 -14.251 -3.281 1.00 0.00 H new ATOM 0 HA SER A 50 2.889 -15.026 -1.377 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.054 -12.653 -0.453 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.078 -12.786 -1.868 1.00 0.00 H new ATOM 0 HG SER A 50 1.494 -11.672 -2.768 1.00 0.00 H new ATOM 614 N VAL A 51 -0.093 -14.329 -0.115 1.00 0.00 N ATOM 615 CA VAL A 51 -0.999 -14.628 0.987 1.00 0.00 C ATOM 616 C VAL A 51 -2.312 -15.206 0.479 1.00 0.00 C ATOM 617 O VAL A 51 -2.548 -15.280 -0.728 1.00 0.00 O ATOM 618 CB VAL A 51 -1.308 -13.374 1.827 1.00 0.00 C ATOM 619 CG1 VAL A 51 -0.068 -12.907 2.573 1.00 0.00 C ATOM 620 CG2 VAL A 51 -1.856 -12.263 0.946 1.00 0.00 C ATOM 0 H VAL A 51 -0.425 -13.600 -0.747 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.492 -15.362 1.613 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.069 -13.634 2.563 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.309 -12.020 3.160 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.277 -13.699 3.237 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.718 -12.666 1.857 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.068 -11.386 1.557 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.120 -12.006 0.185 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.774 -12.600 0.464 1.00 0.00 H new ATOM 630 N ARG A 52 -3.164 -15.604 1.412 1.00 0.00 N ATOM 631 CA ARG A 52 -4.463 -16.168 1.077 1.00 0.00 C ATOM 632 C ARG A 52 -5.570 -15.397 1.784 1.00 0.00 C ATOM 633 O ARG A 52 -6.481 -14.871 1.148 1.00 0.00 O ATOM 634 CB ARG A 52 -4.519 -17.645 1.473 1.00 0.00 C ATOM 635 CG ARG A 52 -5.268 -18.515 0.478 1.00 0.00 C ATOM 636 CD ARG A 52 -4.476 -19.764 0.125 1.00 0.00 C ATOM 637 NE ARG A 52 -4.827 -20.895 0.979 1.00 0.00 N ATOM 638 CZ ARG A 52 -5.661 -21.866 0.615 1.00 0.00 C ATOM 639 NH1 ARG A 52 -6.227 -21.845 -0.585 1.00 0.00 N ATOM 640 NH2 ARG A 52 -5.930 -22.859 1.451 1.00 0.00 N ATOM 0 H ARG A 52 -2.977 -15.546 2.413 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.609 -16.087 -0.000 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.502 -18.023 1.579 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.995 -17.733 2.450 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -6.233 -18.801 0.897 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.470 -17.943 -0.427 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.659 -20.026 -0.917 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.410 -19.556 0.219 1.00 0.00 H new ATOM 0 HE ARG A 52 -4.409 -20.944 1.908 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.023 -21.083 -1.232 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.866 -22.591 -0.861 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.498 -22.879 2.375 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.569 -23.603 1.171 1.00 0.00 H new ATOM 648 N ASN A 53 -5.477 -15.332 3.105 1.00 0.00 N ATOM 649 CA ASN A 53 -6.461 -14.617 3.909 1.00 0.00 C ATOM 650 C ASN A 53 -6.157 -13.122 3.943 1.00 0.00 C ATOM 651 O ASN A 53 -5.039 -12.700 3.645 1.00 0.00 O ATOM 652 CB ASN A 53 -6.496 -15.172 5.333 1.00 0.00 C ATOM 653 CG ASN A 53 -7.064 -16.575 5.395 1.00 0.00 C ATOM 654 OD1 ASN A 53 -8.235 -16.771 5.716 1.00 0.00 O ATOM 655 ND2 ASN A 53 -6.231 -17.564 5.087 1.00 0.00 N ATOM 0 H ASN A 53 -4.728 -15.767 3.645 1.00 0.00 H new ATOM 0 HA ASN A 53 -7.438 -14.762 3.447 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -5.486 -15.174 5.744 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.095 -14.513 5.962 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -6.556 -18.531 5.112 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -5.267 -17.356 4.826 1.00 0.00 H new ATOM 660 N ARG A 54 -7.152 -12.329 4.325 1.00 0.00 N ATOM 661 CA ARG A 54 -6.984 -10.884 4.416 1.00 0.00 C ATOM 662 C ARG A 54 -6.002 -10.539 5.530 1.00 0.00 C ATOM 663 O ARG A 54 -5.205 -9.607 5.406 1.00 0.00 O ATOM 664 CB ARG A 54 -8.330 -10.206 4.674 1.00 0.00 C ATOM 665 CG ARG A 54 -8.474 -8.857 3.988 1.00 0.00 C ATOM 666 CD ARG A 54 -9.415 -7.942 4.752 1.00 0.00 C ATOM 667 NE ARG A 54 -10.022 -6.935 3.885 1.00 0.00 N ATOM 668 CZ ARG A 54 -11.334 -6.745 3.777 1.00 0.00 C ATOM 669 NH1 ARG A 54 -12.176 -7.494 4.477 1.00 0.00 N ATOM 670 NH2 ARG A 54 -11.806 -5.808 2.967 1.00 0.00 N ATOM 0 H ARG A 54 -8.083 -12.662 4.576 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.586 -10.520 3.469 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.130 -10.864 4.334 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.461 -10.074 5.748 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -7.495 -8.385 3.902 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.848 -9.001 2.974 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -10.199 -8.537 5.220 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -8.868 -7.447 5.554 1.00 0.00 H new ATOM 0 HE ARG A 54 -9.404 -6.343 3.330 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -11.818 -8.218 5.100 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -13.182 -7.346 4.392 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -11.163 -5.231 2.425 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -12.812 -5.664 2.886 1.00 0.00 H new ATOM 678 N GLN A 55 -6.059 -11.308 6.614 1.00 0.00 N ATOM 679 CA GLN A 55 -5.172 -11.101 7.751 1.00 0.00 C ATOM 680 C GLN A 55 -3.720 -11.325 7.346 1.00 0.00 C ATOM 681 O GLN A 55 -2.831 -10.569 7.739 1.00 0.00 O ATOM 682 CB GLN A 55 -5.542 -12.042 8.891 1.00 0.00 C ATOM 683 CG GLN A 55 -5.154 -11.520 10.265 1.00 0.00 C ATOM 684 CD GLN A 55 -4.695 -12.623 11.198 1.00 0.00 C ATOM 685 OE1 GLN A 55 -5.477 -13.493 11.582 1.00 0.00 O ATOM 686 NE2 GLN A 55 -3.419 -12.593 11.569 1.00 0.00 N ATOM 0 H GLN A 55 -6.713 -12.082 6.727 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.287 -10.071 8.090 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.617 -12.219 8.870 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.057 -13.005 8.728 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.357 -10.784 10.158 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -6.006 -11.005 10.708 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.806 -11.853 11.227 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.053 -13.310 12.196 1.00 0.00 H new ATOM 691 N GLU A 56 -3.492 -12.368 6.551 1.00 0.00 N ATOM 692 CA GLU A 56 -2.151 -12.698 6.084 1.00 0.00 C ATOM 693 C GLU A 56 -1.556 -11.545 5.282 1.00 0.00 C ATOM 694 O GLU A 56 -0.414 -11.145 5.505 1.00 0.00 O ATOM 695 CB GLU A 56 -2.186 -13.966 5.230 1.00 0.00 C ATOM 696 CG GLU A 56 -1.366 -15.111 5.804 1.00 0.00 C ATOM 697 CD GLU A 56 -1.018 -16.158 4.764 1.00 0.00 C ATOM 698 OE1 GLU A 56 -0.120 -15.898 3.937 1.00 0.00 O ATOM 699 OE2 GLU A 56 -1.642 -17.239 4.778 1.00 0.00 O ATOM 0 H GLU A 56 -4.221 -12.999 6.217 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.520 -12.873 6.956 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.221 -14.291 5.120 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.817 -13.731 4.231 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.447 -14.714 6.236 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.923 -15.581 6.615 1.00 0.00 H new ATOM 702 N GLY A 57 -2.339 -11.013 4.348 1.00 0.00 N ATOM 703 CA GLY A 57 -1.870 -9.909 3.530 1.00 0.00 C ATOM 704 C GLY A 57 -1.704 -8.630 4.325 1.00 0.00 C ATOM 705 O GLY A 57 -0.985 -7.723 3.909 1.00 0.00 O ATOM 0 H GLY A 57 -3.288 -11.326 4.143 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.916 -10.177 3.075 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.575 -9.739 2.716 1.00 0.00 H new ATOM 709 N LEU A 58 -2.370 -8.559 5.473 1.00 0.00 N ATOM 710 CA LEU A 58 -2.289 -7.381 6.329 1.00 0.00 C ATOM 711 C LEU A 58 -0.928 -7.300 7.017 1.00 0.00 C ATOM 712 O LEU A 58 -0.271 -6.259 6.986 1.00 0.00 O ATOM 713 CB LEU A 58 -3.407 -7.407 7.374 1.00 0.00 C ATOM 714 CG LEU A 58 -4.233 -6.123 7.475 1.00 0.00 C ATOM 715 CD1 LEU A 58 -5.523 -6.381 8.236 1.00 0.00 C ATOM 716 CD2 LEU A 58 -3.427 -5.020 8.146 1.00 0.00 C ATOM 0 H LEU A 58 -2.971 -9.302 5.831 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.410 -6.497 5.703 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.078 -8.235 7.145 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.967 -7.615 8.349 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.487 -5.796 6.467 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.099 -5.458 8.299 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.108 -7.139 7.714 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.289 -6.732 9.241 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.031 -4.115 8.209 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.142 -5.337 9.149 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.530 -4.818 7.561 1.00 0.00 H new ATOM 726 N MET A 59 -0.507 -8.404 7.630 1.00 0.00 N ATOM 727 CA MET A 59 0.783 -8.449 8.319 1.00 0.00 C ATOM 728 C MET A 59 1.926 -8.216 7.336 1.00 0.00 C ATOM 729 O MET A 59 2.844 -7.440 7.609 1.00 0.00 O ATOM 730 CB MET A 59 0.984 -9.786 9.042 1.00 0.00 C ATOM 731 CG MET A 59 0.083 -10.901 8.542 1.00 0.00 C ATOM 732 SD MET A 59 0.719 -12.540 8.935 1.00 0.00 S ATOM 733 CE MET A 59 2.211 -12.569 7.944 1.00 0.00 C ATOM 0 H MET A 59 -1.036 -9.275 7.665 1.00 0.00 H new ATOM 0 HA MET A 59 0.784 -7.653 9.063 1.00 0.00 H new ATOM 0 HB2 MET A 59 2.023 -10.095 8.930 1.00 0.00 H new ATOM 0 HB3 MET A 59 0.808 -9.641 10.108 1.00 0.00 H new ATOM 0 HG2 MET A 59 -0.908 -10.786 8.981 1.00 0.00 H new ATOM 0 HG3 MET A 59 -0.034 -10.811 7.462 1.00 0.00 H new ATOM 0 HE1 MET A 59 2.197 -13.442 7.292 1.00 0.00 H new ATOM 0 HE2 MET A 59 2.263 -11.664 7.338 1.00 0.00 H new ATOM 0 HE3 MET A 59 3.081 -12.618 8.598 1.00 0.00 H new ATOM 739 N ILE A 60 1.860 -8.888 6.190 1.00 0.00 N ATOM 740 CA ILE A 60 2.886 -8.749 5.163 1.00 0.00 C ATOM 741 C ILE A 60 2.985 -7.299 4.700 1.00 0.00 C ATOM 742 O ILE A 60 4.074 -6.723 4.651 1.00 0.00 O ATOM 743 CB ILE A 60 2.596 -9.654 3.947 1.00 0.00 C ATOM 744 CG1 ILE A 60 2.439 -11.114 4.390 1.00 0.00 C ATOM 745 CG2 ILE A 60 3.701 -9.521 2.908 1.00 0.00 C ATOM 746 CD1 ILE A 60 3.717 -11.737 4.918 1.00 0.00 C ATOM 0 H ILE A 60 1.107 -9.533 5.950 1.00 0.00 H new ATOM 0 HA ILE A 60 3.833 -9.057 5.607 1.00 0.00 H new ATOM 0 HB ILE A 60 1.659 -9.333 3.492 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.673 -11.168 5.164 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.081 -11.703 3.546 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.480 -10.166 2.058 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.762 -8.486 2.572 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.653 -9.816 3.350 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.525 -12.769 5.211 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.480 -11.717 4.140 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.066 -11.174 5.783 1.00 0.00 H new ATOM 756 N ALA A 61 1.838 -6.711 4.374 1.00 0.00 N ATOM 757 CA ALA A 61 1.793 -5.326 3.926 1.00 0.00 C ATOM 758 C ALA A 61 2.326 -4.399 5.010 1.00 0.00 C ATOM 759 O ALA A 61 2.890 -3.343 4.719 1.00 0.00 O ATOM 760 CB ALA A 61 0.372 -4.935 3.548 1.00 0.00 C ATOM 0 H ALA A 61 0.929 -7.173 4.412 1.00 0.00 H new ATOM 0 HA ALA A 61 2.426 -5.228 3.044 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.356 -3.897 3.216 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.019 -5.579 2.743 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.279 -5.048 4.415 1.00 0.00 H new ATOM 766 N SER A 62 2.155 -4.808 6.265 1.00 0.00 N ATOM 767 CA SER A 62 2.630 -4.022 7.395 1.00 0.00 C ATOM 768 C SER A 62 4.148 -3.917 7.355 1.00 0.00 C ATOM 769 O SER A 62 4.715 -2.859 7.626 1.00 0.00 O ATOM 770 CB SER A 62 2.183 -4.654 8.715 1.00 0.00 C ATOM 771 OG SER A 62 2.109 -3.683 9.745 1.00 0.00 O ATOM 0 H SER A 62 1.691 -5.679 6.522 1.00 0.00 H new ATOM 0 HA SER A 62 2.201 -3.022 7.327 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.209 -5.126 8.585 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.882 -5.440 9.001 1.00 0.00 H new ATOM 0 HG SER A 62 1.820 -4.111 10.578 1.00 0.00 H new ATOM 775 N SER A 63 4.798 -5.020 6.995 1.00 0.00 N ATOM 776 CA SER A 63 6.250 -5.054 6.897 1.00 0.00 C ATOM 777 C SER A 63 6.720 -4.150 5.765 1.00 0.00 C ATOM 778 O SER A 63 7.774 -3.520 5.854 1.00 0.00 O ATOM 779 CB SER A 63 6.737 -6.485 6.662 1.00 0.00 C ATOM 780 OG SER A 63 7.637 -6.892 7.678 1.00 0.00 O ATOM 0 H SER A 63 4.340 -5.902 6.766 1.00 0.00 H new ATOM 0 HA SER A 63 6.669 -4.693 7.836 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.884 -7.163 6.635 1.00 0.00 H new ATOM 0 HB3 SER A 63 7.227 -6.551 5.691 1.00 0.00 H new ATOM 0 HG SER A 63 7.932 -7.810 7.505 1.00 0.00 H new ATOM 784 N LEU A 64 5.920 -4.087 4.703 1.00 0.00 N ATOM 785 CA LEU A 64 6.238 -3.253 3.549 1.00 0.00 C ATOM 786 C LEU A 64 6.430 -1.801 3.971 1.00 0.00 C ATOM 787 O LEU A 64 7.492 -1.216 3.760 1.00 0.00 O ATOM 788 CB LEU A 64 5.118 -3.342 2.509 1.00 0.00 C ATOM 789 CG LEU A 64 5.464 -4.119 1.242 1.00 0.00 C ATOM 790 CD1 LEU A 64 4.242 -4.855 0.718 1.00 0.00 C ATOM 791 CD2 LEU A 64 6.024 -3.187 0.178 1.00 0.00 C ATOM 0 H LEU A 64 5.045 -4.605 4.619 1.00 0.00 H new ATOM 0 HA LEU A 64 7.167 -3.617 3.111 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.249 -3.807 2.974 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.826 -2.331 2.227 1.00 0.00 H new ATOM 0 HG LEU A 64 6.229 -4.855 1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.507 -5.404 -0.186 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.886 -5.554 1.475 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.455 -4.136 0.488 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.265 -3.760 -0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.282 -2.426 -0.066 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.927 -2.706 0.554 1.00 0.00 H new ATOM 801 N LEU A 65 5.389 -1.228 4.572 1.00 0.00 N ATOM 802 CA LEU A 65 5.431 0.156 5.030 1.00 0.00 C ATOM 803 C LEU A 65 6.408 0.316 6.190 1.00 0.00 C ATOM 804 O LEU A 65 7.001 1.380 6.371 1.00 0.00 O ATOM 805 CB LEU A 65 4.031 0.613 5.453 1.00 0.00 C ATOM 806 CG LEU A 65 3.954 2.024 6.042 1.00 0.00 C ATOM 807 CD1 LEU A 65 4.220 3.066 4.967 1.00 0.00 C ATOM 808 CD2 LEU A 65 2.595 2.255 6.686 1.00 0.00 C ATOM 0 H LEU A 65 4.505 -1.704 4.753 1.00 0.00 H new ATOM 0 HA LEU A 65 5.776 0.779 4.205 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.373 0.563 4.586 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.643 -0.092 6.189 1.00 0.00 H new ATOM 0 HG LEU A 65 4.721 2.121 6.810 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.161 4.063 5.404 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.215 2.911 4.549 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.475 2.972 4.177 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.555 3.262 7.100 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.813 2.140 5.936 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.442 1.528 7.484 1.00 0.00 H new ATOM 818 N ASN A 66 6.573 -0.747 6.973 1.00 0.00 N ATOM 819 CA ASN A 66 7.481 -0.723 8.113 1.00 0.00 C ATOM 820 C ASN A 66 8.899 -0.399 7.662 1.00 0.00 C ATOM 821 O ASN A 66 9.587 0.415 8.279 1.00 0.00 O ATOM 822 CB ASN A 66 7.459 -2.068 8.843 1.00 0.00 C ATOM 823 CG ASN A 66 8.480 -2.135 9.962 1.00 0.00 C ATOM 824 OD1 ASN A 66 8.494 -1.292 10.857 1.00 0.00 O ATOM 825 ND2 ASN A 66 9.342 -3.144 9.914 1.00 0.00 N ATOM 0 H ASN A 66 6.089 -1.635 6.838 1.00 0.00 H new ATOM 0 HA ASN A 66 7.146 0.055 8.799 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.464 -2.240 9.252 1.00 0.00 H new ATOM 0 HB3 ASN A 66 7.653 -2.869 8.129 1.00 0.00 H new ATOM 0 HD21 ASN A 66 10.053 -3.243 10.639 1.00 0.00 H new ATOM 0 HD22 ASN A 66 9.293 -3.821 9.152 1.00 0.00 H new ATOM 830 N GLU A 67 9.329 -1.038 6.579 1.00 0.00 N ATOM 831 CA GLU A 67 10.663 -0.815 6.040 1.00 0.00 C ATOM 832 C GLU A 67 10.756 0.562 5.391 1.00 0.00 C ATOM 833 O GLU A 67 11.846 1.116 5.241 1.00 0.00 O ATOM 834 CB GLU A 67 11.012 -1.900 5.019 1.00 0.00 C ATOM 835 CG GLU A 67 11.543 -3.178 5.648 1.00 0.00 C ATOM 836 CD GLU A 67 12.829 -3.655 5.002 1.00 0.00 C ATOM 837 OE1 GLU A 67 12.956 -3.528 3.765 1.00 0.00 O ATOM 838 OE2 GLU A 67 13.708 -4.156 5.733 1.00 0.00 O ATOM 0 H GLU A 67 8.771 -1.715 6.058 1.00 0.00 H new ATOM 0 HA GLU A 67 11.377 -0.861 6.862 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.124 -2.135 4.433 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.757 -1.509 4.326 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.715 -3.011 6.711 1.00 0.00 H new ATOM 0 HG3 GLU A 67 10.788 -3.960 5.566 1.00 0.00 H new ATOM 841 N GLY A 68 9.605 1.107 5.009 1.00 0.00 N ATOM 842 CA GLY A 68 9.574 2.416 4.383 1.00 0.00 C ATOM 843 C GLY A 68 9.342 2.339 2.886 1.00 0.00 C ATOM 844 O GLY A 68 9.666 3.271 2.151 1.00 0.00 O ATOM 0 H GLY A 68 8.693 0.665 5.122 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.786 3.015 4.839 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.516 2.930 4.575 1.00 0.00 H new ATOM 848 N TYR A 69 8.776 1.222 2.437 1.00 0.00 N ATOM 849 CA TYR A 69 8.496 1.021 1.021 1.00 0.00 C ATOM 850 C TYR A 69 7.333 1.894 0.566 1.00 0.00 C ATOM 851 O TYR A 69 7.340 2.424 -0.544 1.00 0.00 O ATOM 852 CB TYR A 69 8.174 -0.448 0.749 1.00 0.00 C ATOM 853 CG TYR A 69 9.388 -1.351 0.766 1.00 0.00 C ATOM 854 CD1 TYR A 69 10.457 -1.126 -0.091 1.00 0.00 C ATOM 855 CD2 TYR A 69 9.463 -2.426 1.642 1.00 0.00 C ATOM 856 CE1 TYR A 69 11.568 -1.947 -0.075 1.00 0.00 C ATOM 857 CE2 TYR A 69 10.570 -3.252 1.664 1.00 0.00 C ATOM 858 CZ TYR A 69 11.620 -3.008 0.803 1.00 0.00 C ATOM 859 OH TYR A 69 12.724 -3.829 0.821 1.00 0.00 O ATOM 0 H TYR A 69 8.503 0.442 3.035 1.00 0.00 H new ATOM 0 HA TYR A 69 9.385 1.306 0.458 1.00 0.00 H new ATOM 0 HB2 TYR A 69 7.461 -0.799 1.495 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.685 -0.530 -0.222 1.00 0.00 H new ATOM 0 HD1 TYR A 69 10.419 -0.296 -0.781 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.642 -2.619 2.317 1.00 0.00 H new ATOM 0 HE1 TYR A 69 12.392 -1.758 -0.747 1.00 0.00 H new ATOM 0 HE2 TYR A 69 10.613 -4.084 2.351 1.00 0.00 H new ATOM 0 HH TYR A 69 13.038 -3.934 1.743 1.00 0.00 H new ATOM 867 N LEU A 70 6.334 2.034 1.431 1.00 0.00 N ATOM 868 CA LEU A 70 5.159 2.841 1.122 1.00 0.00 C ATOM 869 C LEU A 70 5.240 4.202 1.806 1.00 0.00 C ATOM 870 O LEU A 70 6.117 4.437 2.637 1.00 0.00 O ATOM 871 CB LEU A 70 3.888 2.109 1.567 1.00 0.00 C ATOM 872 CG LEU A 70 3.182 1.291 0.483 1.00 0.00 C ATOM 873 CD1 LEU A 70 2.552 2.210 -0.547 1.00 0.00 C ATOM 874 CD2 LEU A 70 4.149 0.321 -0.184 1.00 0.00 C ATOM 0 H LEU A 70 6.315 1.598 2.353 1.00 0.00 H new ATOM 0 HA LEU A 70 5.126 2.998 0.044 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.144 1.443 2.391 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.185 2.844 1.958 1.00 0.00 H new ATOM 0 HG LEU A 70 2.393 0.707 0.957 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.054 1.613 -1.311 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.823 2.857 -0.060 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.326 2.821 -1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.623 -0.248 -0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.965 0.879 -0.643 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.552 -0.363 0.563 1.00 0.00 H new ATOM 884 N GLN A 71 4.315 5.092 1.455 1.00 0.00 N ATOM 885 CA GLN A 71 4.280 6.426 2.038 1.00 0.00 C ATOM 886 C GLN A 71 2.838 6.867 2.293 1.00 0.00 C ATOM 887 O GLN A 71 2.118 7.226 1.363 1.00 0.00 O ATOM 888 CB GLN A 71 4.981 7.429 1.122 1.00 0.00 C ATOM 889 CG GLN A 71 5.755 8.500 1.874 1.00 0.00 C ATOM 890 CD GLN A 71 7.170 8.671 1.353 1.00 0.00 C ATOM 891 OE1 GLN A 71 8.133 8.645 2.120 1.00 0.00 O ATOM 892 NE2 GLN A 71 7.300 8.848 0.045 1.00 0.00 N ATOM 0 H GLN A 71 3.581 4.911 0.770 1.00 0.00 H new ATOM 0 HA GLN A 71 4.807 6.393 2.992 1.00 0.00 H new ATOM 0 HB2 GLN A 71 5.665 6.892 0.465 1.00 0.00 H new ATOM 0 HB3 GLN A 71 4.238 7.909 0.485 1.00 0.00 H new ATOM 0 HG2 GLN A 71 5.225 9.449 1.795 1.00 0.00 H new ATOM 0 HG3 GLN A 71 5.790 8.242 2.932 1.00 0.00 H new ATOM 0 HE21 GLN A 71 6.473 8.862 -0.552 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.227 8.970 -0.364 1.00 0.00 H new ATOM 897 N PRO A 72 2.399 6.837 3.564 1.00 0.00 N ATOM 898 CA PRO A 72 1.041 7.227 3.960 1.00 0.00 C ATOM 899 C PRO A 72 0.605 8.562 3.359 1.00 0.00 C ATOM 900 O PRO A 72 1.428 9.440 3.097 1.00 0.00 O ATOM 901 CB PRO A 72 1.135 7.332 5.492 1.00 0.00 C ATOM 902 CG PRO A 72 2.587 7.268 5.806 1.00 0.00 C ATOM 903 CD PRO A 72 3.178 6.421 4.733 1.00 0.00 C ATOM 0 HA PRO A 72 0.299 6.511 3.608 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.697 8.264 5.849 1.00 0.00 H new ATOM 0 HB3 PRO A 72 0.593 6.519 5.975 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.033 8.263 5.814 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.759 6.834 6.791 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.244 6.609 4.603 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.066 5.357 4.942 1.00 0.00 H new ATOM 905 N ALA A 73 -0.701 8.702 3.147 1.00 0.00 N ATOM 906 CA ALA A 73 -1.268 9.921 2.581 1.00 0.00 C ATOM 907 C ALA A 73 -2.678 10.158 3.113 1.00 0.00 C ATOM 908 O ALA A 73 -3.421 9.210 3.370 1.00 0.00 O ATOM 909 CB ALA A 73 -1.288 9.842 1.059 1.00 0.00 C ATOM 0 H ALA A 73 -1.390 7.981 3.361 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.640 10.760 2.881 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.714 10.759 0.653 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.271 9.719 0.688 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.894 8.991 0.747 1.00 0.00 H new ATOM 915 N GLY A 74 -3.042 11.427 3.274 1.00 0.00 N ATOM 916 CA GLY A 74 -4.363 11.760 3.774 1.00 0.00 C ATOM 917 C GLY A 74 -4.368 12.054 5.260 1.00 0.00 C ATOM 918 O GLY A 74 -3.328 11.987 5.917 1.00 0.00 O ATOM 0 H GLY A 74 -2.447 12.229 3.067 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.743 12.628 3.235 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -5.044 10.934 3.569 1.00 0.00 H new ATOM 922 N ASP A 75 -5.542 12.383 5.793 1.00 0.00 N ATOM 923 CA ASP A 75 -5.682 12.689 7.213 1.00 0.00 C ATOM 924 C ASP A 75 -5.767 11.411 8.041 1.00 0.00 C ATOM 925 O ASP A 75 -5.340 11.379 9.195 1.00 0.00 O ATOM 926 CB ASP A 75 -6.925 13.549 7.451 1.00 0.00 C ATOM 927 CG ASP A 75 -8.158 12.984 6.774 1.00 0.00 C ATOM 928 OD1 ASP A 75 -8.687 11.962 7.262 1.00 0.00 O ATOM 929 OD2 ASP A 75 -8.594 13.560 5.756 1.00 0.00 O ATOM 0 H ASP A 75 -6.411 12.444 5.262 1.00 0.00 H new ATOM 0 HA ASP A 75 -4.798 13.245 7.527 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -7.107 13.630 8.523 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -6.741 14.558 7.082 1.00 0.00 H new ATOM 932 N MET A 76 -6.320 10.359 7.443 1.00 0.00 N ATOM 933 CA MET A 76 -6.461 9.077 8.122 1.00 0.00 C ATOM 934 C MET A 76 -5.102 8.543 8.566 1.00 0.00 C ATOM 935 O MET A 76 -4.867 8.328 9.756 1.00 0.00 O ATOM 936 CB MET A 76 -7.141 8.063 7.204 1.00 0.00 C ATOM 937 CG MET A 76 -7.785 6.912 7.956 1.00 0.00 C ATOM 938 SD MET A 76 -9.414 7.330 8.606 1.00 0.00 S ATOM 939 CE MET A 76 -9.945 5.740 9.235 1.00 0.00 C ATOM 0 H MET A 76 -6.678 10.371 6.488 1.00 0.00 H new ATOM 0 HA MET A 76 -7.079 9.230 9.007 1.00 0.00 H new ATOM 0 HB2 MET A 76 -7.901 8.572 6.612 1.00 0.00 H new ATOM 0 HB3 MET A 76 -6.405 7.665 6.505 1.00 0.00 H new ATOM 0 HG2 MET A 76 -7.873 6.053 7.291 1.00 0.00 H new ATOM 0 HG3 MET A 76 -7.136 6.613 8.779 1.00 0.00 H new ATOM 0 HE1 MET A 76 -10.940 5.835 9.671 1.00 0.00 H new ATOM 0 HE2 MET A 76 -9.973 5.017 8.420 1.00 0.00 H new ATOM 0 HE3 MET A 76 -9.246 5.399 9.998 1.00 0.00 H new ATOM 945 N SER A 77 -4.213 8.334 7.600 1.00 0.00 N ATOM 946 CA SER A 77 -2.877 7.829 7.886 1.00 0.00 C ATOM 947 C SER A 77 -2.059 8.857 8.661 1.00 0.00 C ATOM 948 O SER A 77 -0.992 8.545 9.189 1.00 0.00 O ATOM 949 CB SER A 77 -2.160 7.468 6.584 1.00 0.00 C ATOM 950 OG SER A 77 -1.732 8.632 5.898 1.00 0.00 O ATOM 0 H SER A 77 -4.395 8.507 6.611 1.00 0.00 H new ATOM 0 HA SER A 77 -2.977 6.935 8.501 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.301 6.834 6.802 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.828 6.891 5.945 1.00 0.00 H new ATOM 0 HG SER A 77 -2.509 9.189 5.682 1.00 0.00 H new ATOM 954 N LYS A 78 -2.569 10.084 8.726 1.00 0.00 N ATOM 955 CA LYS A 78 -1.889 11.160 9.438 1.00 0.00 C ATOM 956 C LYS A 78 -2.284 11.172 10.911 1.00 0.00 C ATOM 957 O LYS A 78 -1.540 11.664 11.759 1.00 0.00 O ATOM 958 CB LYS A 78 -2.221 12.512 8.800 1.00 0.00 C ATOM 959 CG LYS A 78 -1.147 13.565 9.014 1.00 0.00 C ATOM 960 CD LYS A 78 -0.492 13.967 7.702 1.00 0.00 C ATOM 961 CE LYS A 78 -0.074 15.428 7.713 1.00 0.00 C ATOM 962 NZ LYS A 78 0.885 15.724 8.816 1.00 0.00 N ATOM 0 H LYS A 78 -3.452 10.357 8.294 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.815 10.986 9.368 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.373 12.372 7.730 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.163 12.877 9.210 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.586 14.443 9.487 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.390 13.180 9.697 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.381 13.339 7.522 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.185 13.792 6.879 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.383 15.682 6.757 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.957 16.057 7.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.224 16.703 8.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 0.408 15.603 9.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 1.693 15.072 8.758 1.00 0.00 H new ATOM 968 N SER A 79 -3.459 10.627 11.206 1.00 0.00 N ATOM 969 CA SER A 79 -3.953 10.575 12.576 1.00 0.00 C ATOM 970 C SER A 79 -3.432 9.332 13.291 1.00 0.00 C ATOM 971 O SER A 79 -3.218 9.347 14.504 1.00 0.00 O ATOM 972 CB SER A 79 -5.482 10.581 12.588 1.00 0.00 C ATOM 973 OG SER A 79 -5.985 10.232 13.866 1.00 0.00 O ATOM 0 H SER A 79 -4.086 10.215 10.515 1.00 0.00 H new ATOM 0 HA SER A 79 -3.590 11.457 13.103 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.847 11.569 12.308 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.857 9.880 11.843 1.00 0.00 H new ATOM 0 HG SER A 79 -6.965 10.245 13.847 1.00 0.00 H new ATOM 977 N ALA A 80 -3.227 8.261 12.532 1.00 0.00 N ATOM 978 CA ALA A 80 -2.730 7.011 13.092 1.00 0.00 C ATOM 979 C ALA A 80 -1.248 7.110 13.441 1.00 0.00 C ATOM 980 O ALA A 80 -0.770 6.432 14.349 1.00 0.00 O ATOM 981 CB ALA A 80 -2.969 5.864 12.120 1.00 0.00 C ATOM 0 H ALA A 80 -3.398 8.234 11.527 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.279 6.815 14.013 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.593 4.937 12.552 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.037 5.767 11.927 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -2.448 6.066 11.184 1.00 0.00 H new ATOM 1067 N PRO A 88 1.570 1.892 10.686 1.00 0.00 N ATOM 1068 CA PRO A 88 0.121 1.968 10.797 1.00 0.00 C ATOM 1069 C PRO A 88 -0.595 1.589 9.505 1.00 0.00 C ATOM 1070 O PRO A 88 -1.559 2.244 9.107 1.00 0.00 O ATOM 1071 CB PRO A 88 -0.082 3.447 11.101 1.00 0.00 C ATOM 1072 CG PRO A 88 1.004 4.145 10.342 1.00 0.00 C ATOM 1073 CD PRO A 88 2.110 3.136 10.111 1.00 0.00 C ATOM 0 HA PRO A 88 -0.282 1.280 11.540 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -1.068 3.785 10.782 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -0.008 3.645 12.170 1.00 0.00 H new ATOM 0 HG2 PRO A 88 0.626 4.526 9.393 1.00 0.00 H new ATOM 0 HG3 PRO A 88 1.376 5.002 10.904 1.00 0.00 H new ATOM 0 HD2 PRO A 88 2.334 3.023 9.050 1.00 0.00 H new ATOM 0 HD3 PRO A 88 3.035 3.436 10.602 1.00 0.00 H new ATOM 1075 N PHE A 89 -0.124 0.534 8.849 1.00 0.00 N ATOM 1076 CA PHE A 89 -0.733 0.084 7.601 1.00 0.00 C ATOM 1077 C PHE A 89 -2.175 -0.359 7.830 1.00 0.00 C ATOM 1078 O PHE A 89 -2.426 -1.471 8.294 1.00 0.00 O ATOM 1079 CB PHE A 89 0.073 -1.062 6.987 1.00 0.00 C ATOM 1080 CG PHE A 89 -0.134 -1.207 5.505 1.00 0.00 C ATOM 1081 CD1 PHE A 89 -1.288 -1.792 5.009 1.00 0.00 C ATOM 1082 CD2 PHE A 89 0.822 -0.756 4.610 1.00 0.00 C ATOM 1083 CE1 PHE A 89 -1.485 -1.924 3.648 1.00 0.00 C ATOM 1084 CE2 PHE A 89 0.630 -0.884 3.248 1.00 0.00 C ATOM 1085 CZ PHE A 89 -0.525 -1.469 2.766 1.00 0.00 C ATOM 0 H PHE A 89 0.673 -0.023 9.158 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.732 0.925 6.907 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.132 -0.899 7.185 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.203 -1.995 7.478 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.042 -2.149 5.694 1.00 0.00 H new ATOM 0 HD2 PHE A 89 1.728 -0.299 4.981 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.389 -2.382 3.274 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.382 -0.527 2.560 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.677 -1.570 1.702 1.00 0.00 H new ATOM 1093 N LEU A 90 -3.117 0.519 7.499 1.00 0.00 N ATOM 1094 CA LEU A 90 -4.535 0.221 7.666 1.00 0.00 C ATOM 1095 C LEU A 90 -5.135 -0.306 6.366 1.00 0.00 C ATOM 1096 O LEU A 90 -4.903 0.252 5.294 1.00 0.00 O ATOM 1097 CB LEU A 90 -5.294 1.472 8.120 1.00 0.00 C ATOM 1098 CG LEU A 90 -4.670 2.221 9.299 1.00 0.00 C ATOM 1099 CD1 LEU A 90 -5.196 3.647 9.365 1.00 0.00 C ATOM 1100 CD2 LEU A 90 -4.944 1.490 10.604 1.00 0.00 C ATOM 0 H LEU A 90 -2.923 1.443 7.113 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.630 -0.550 8.431 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.372 2.157 7.275 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.310 1.183 8.390 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.591 2.259 9.148 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.741 4.164 10.210 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.946 4.170 8.442 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.279 3.630 9.491 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.492 2.039 11.430 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.020 1.418 10.762 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.517 0.488 10.557 1.00 0.00 H new ATOM 1110 N ASP A 91 -5.907 -1.384 6.468 1.00 0.00 N ATOM 1111 CA ASP A 91 -6.543 -1.987 5.300 1.00 0.00 C ATOM 1112 C ASP A 91 -7.884 -1.322 5.007 1.00 0.00 C ATOM 1113 O ASP A 91 -8.855 -1.988 4.647 1.00 0.00 O ATOM 1114 CB ASP A 91 -6.738 -3.491 5.514 1.00 0.00 C ATOM 1115 CG ASP A 91 -7.647 -3.796 6.690 1.00 0.00 C ATOM 1116 OD1 ASP A 91 -7.291 -3.425 7.829 1.00 0.00 O ATOM 1117 OD2 ASP A 91 -8.713 -4.410 6.472 1.00 0.00 O ATOM 0 H ASP A 91 -6.108 -1.859 7.348 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.888 -1.834 4.442 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -7.158 -3.932 4.610 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.768 -3.961 5.677 1.00 0.00 H new ATOM 1120 N ASN A 92 -7.931 -0.002 5.166 1.00 0.00 N ATOM 1121 CA ASN A 92 -9.154 0.755 4.923 1.00 0.00 C ATOM 1122 C ASN A 92 -8.998 1.678 3.715 1.00 0.00 C ATOM 1123 O ASN A 92 -7.899 2.151 3.426 1.00 0.00 O ATOM 1124 CB ASN A 92 -9.522 1.576 6.161 1.00 0.00 C ATOM 1125 CG ASN A 92 -9.510 0.746 7.429 1.00 0.00 C ATOM 1126 OD1 ASN A 92 -8.574 1.044 8.323 1.00 0.00 O flip ATOM 1127 ND2 ASN A 92 -10.332 -0.153 7.604 1.00 0.00 N flip ATOM 0 H ASN A 92 -7.136 0.565 5.462 1.00 0.00 H new ATOM 0 HA ASN A 92 -9.954 0.045 4.712 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -8.821 2.404 6.266 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -10.512 2.011 6.024 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -11.034 -0.348 6.890 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -10.311 -0.703 8.463 1.00 0.00 H new ATOM 1132 N PRO A 93 -10.102 1.949 2.991 1.00 0.00 N ATOM 1133 CA PRO A 93 -10.075 2.822 1.816 1.00 0.00 C ATOM 1134 C PRO A 93 -9.892 4.289 2.192 1.00 0.00 C ATOM 1135 O PRO A 93 -9.690 5.140 1.326 1.00 0.00 O ATOM 1136 CB PRO A 93 -11.446 2.603 1.175 1.00 0.00 C ATOM 1137 CG PRO A 93 -12.331 2.167 2.290 1.00 0.00 C ATOM 1138 CD PRO A 93 -11.458 1.431 3.265 1.00 0.00 C ATOM 0 HA PRO A 93 -9.240 2.589 1.155 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -11.816 3.518 0.713 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -11.398 1.847 0.391 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -12.806 3.025 2.766 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -13.130 1.523 1.922 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -11.759 1.624 4.295 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -11.512 0.353 3.114 1.00 0.00 H new ATOM 1140 N ASP A 94 -9.964 4.574 3.488 1.00 0.00 N ATOM 1141 CA ASP A 94 -9.806 5.937 3.979 1.00 0.00 C ATOM 1142 C ASP A 94 -8.333 6.336 4.001 1.00 0.00 C ATOM 1143 O ASP A 94 -7.987 7.484 3.719 1.00 0.00 O ATOM 1144 CB ASP A 94 -10.407 6.067 5.381 1.00 0.00 C ATOM 1145 CG ASP A 94 -11.721 5.324 5.517 1.00 0.00 C ATOM 1146 OD1 ASP A 94 -11.691 4.082 5.653 1.00 0.00 O ATOM 1147 OD2 ASP A 94 -12.782 5.983 5.487 1.00 0.00 O ATOM 0 H ASP A 94 -10.131 3.880 4.216 1.00 0.00 H new ATOM 0 HA ASP A 94 -10.335 6.608 3.303 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -9.698 5.683 6.114 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -10.563 7.121 5.610 1.00 0.00 H new ATOM 1150 N ALA A 95 -7.471 5.380 4.332 1.00 0.00 N ATOM 1151 CA ALA A 95 -6.034 5.628 4.385 1.00 0.00 C ATOM 1152 C ALA A 95 -5.399 5.448 3.010 1.00 0.00 C ATOM 1153 O ALA A 95 -5.746 4.525 2.274 1.00 0.00 O ATOM 1154 CB ALA A 95 -5.376 4.703 5.398 1.00 0.00 C ATOM 0 H ALA A 95 -7.743 4.426 4.568 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.877 6.660 4.698 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.304 4.899 5.427 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.804 4.880 6.385 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -5.548 3.666 5.109 1.00 0.00 H new ATOM 1160 N PHE A 96 -4.472 6.338 2.666 1.00 0.00 N ATOM 1161 CA PHE A 96 -3.799 6.273 1.374 1.00 0.00 C ATOM 1162 C PHE A 96 -2.328 5.902 1.533 1.00 0.00 C ATOM 1163 O PHE A 96 -1.711 6.187 2.558 1.00 0.00 O ATOM 1164 CB PHE A 96 -3.917 7.611 0.641 1.00 0.00 C ATOM 1165 CG PHE A 96 -5.293 8.212 0.683 1.00 0.00 C ATOM 1166 CD1 PHE A 96 -6.409 7.457 0.354 1.00 0.00 C ATOM 1167 CD2 PHE A 96 -5.470 9.537 1.049 1.00 0.00 C ATOM 1168 CE1 PHE A 96 -7.673 8.013 0.391 1.00 0.00 C ATOM 1169 CE2 PHE A 96 -6.730 10.098 1.086 1.00 0.00 C ATOM 1170 CZ PHE A 96 -7.833 9.336 0.757 1.00 0.00 C ATOM 0 H PHE A 96 -4.171 7.109 3.262 1.00 0.00 H new ATOM 0 HA PHE A 96 -4.288 5.496 0.786 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -3.210 8.316 1.078 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -3.625 7.470 -0.400 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -6.288 6.423 0.066 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -4.611 10.138 1.308 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -8.535 7.415 0.134 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -6.853 11.132 1.372 1.00 0.00 H new ATOM 0 HZ PHE A 96 -8.820 9.773 0.786 1.00 0.00 H new ATOM 1178 N TYR A 97 -1.775 5.268 0.503 1.00 0.00 N ATOM 1179 CA TYR A 97 -0.375 4.853 0.502 1.00 0.00 C ATOM 1180 C TYR A 97 0.169 4.838 -0.924 1.00 0.00 C ATOM 1181 O TYR A 97 -0.202 3.979 -1.720 1.00 0.00 O ATOM 1182 CB TYR A 97 -0.225 3.459 1.120 1.00 0.00 C ATOM 1183 CG TYR A 97 -0.633 3.376 2.572 1.00 0.00 C ATOM 1184 CD1 TYR A 97 0.198 3.852 3.578 1.00 0.00 C ATOM 1185 CD2 TYR A 97 -1.852 2.819 2.938 1.00 0.00 C ATOM 1186 CE1 TYR A 97 -0.174 3.777 4.907 1.00 0.00 C ATOM 1187 CE2 TYR A 97 -2.230 2.740 4.264 1.00 0.00 C ATOM 1188 CZ TYR A 97 -1.389 3.219 5.245 1.00 0.00 C ATOM 1189 OH TYR A 97 -1.761 3.141 6.566 1.00 0.00 O ATOM 0 H TYR A 97 -2.281 5.028 -0.350 1.00 0.00 H new ATOM 0 HA TYR A 97 0.192 5.568 1.098 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -0.825 2.753 0.545 1.00 0.00 H new ATOM 0 HB3 TYR A 97 0.814 3.143 1.028 1.00 0.00 H new ATOM 0 HD1 TYR A 97 1.151 4.288 3.317 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -2.515 2.442 2.173 1.00 0.00 H new ATOM 0 HE1 TYR A 97 0.483 4.153 5.677 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -3.181 2.304 4.531 1.00 0.00 H new ATOM 0 HH TYR A 97 -0.963 3.037 7.125 1.00 0.00 H new ATOM 1197 N TYR A 98 1.044 5.789 -1.246 1.00 0.00 N ATOM 1198 CA TYR A 98 1.624 5.862 -2.585 1.00 0.00 C ATOM 1199 C TYR A 98 3.051 5.325 -2.594 1.00 0.00 C ATOM 1200 O TYR A 98 3.564 4.878 -1.564 1.00 0.00 O ATOM 1201 CB TYR A 98 1.606 7.303 -3.105 1.00 0.00 C ATOM 1202 CG TYR A 98 2.425 8.274 -2.282 1.00 0.00 C ATOM 1203 CD1 TYR A 98 1.879 8.906 -1.173 1.00 0.00 C ATOM 1204 CD2 TYR A 98 3.740 8.563 -2.622 1.00 0.00 C ATOM 1205 CE1 TYR A 98 2.622 9.799 -0.424 1.00 0.00 C ATOM 1206 CE2 TYR A 98 4.489 9.455 -1.877 1.00 0.00 C ATOM 1207 CZ TYR A 98 3.925 10.069 -0.781 1.00 0.00 C ATOM 1208 OH TYR A 98 4.667 10.957 -0.036 1.00 0.00 O ATOM 0 H TYR A 98 1.365 6.514 -0.604 1.00 0.00 H new ATOM 0 HA TYR A 98 1.016 5.241 -3.243 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.977 7.311 -4.130 1.00 0.00 H new ATOM 0 HB3 TYR A 98 0.574 7.652 -3.136 1.00 0.00 H new ATOM 0 HD1 TYR A 98 0.858 8.697 -0.891 1.00 0.00 H new ATOM 0 HD2 TYR A 98 4.185 8.084 -3.482 1.00 0.00 H new ATOM 0 HE1 TYR A 98 2.184 10.282 0.436 1.00 0.00 H new ATOM 0 HE2 TYR A 98 5.511 9.669 -2.153 1.00 0.00 H new ATOM 0 HH TYR A 98 5.565 11.035 -0.420 1.00 0.00 H new ATOM 1216 N PHE A 99 3.688 5.372 -3.763 1.00 0.00 N ATOM 1217 CA PHE A 99 5.057 4.888 -3.907 1.00 0.00 C ATOM 1218 C PHE A 99 6.054 6.046 -3.885 1.00 0.00 C ATOM 1219 O PHE A 99 5.782 7.117 -4.427 1.00 0.00 O ATOM 1220 CB PHE A 99 5.206 4.096 -5.209 1.00 0.00 C ATOM 1221 CG PHE A 99 4.631 2.707 -5.146 1.00 0.00 C ATOM 1222 CD1 PHE A 99 5.018 1.824 -4.149 1.00 0.00 C ATOM 1223 CD2 PHE A 99 3.705 2.283 -6.087 1.00 0.00 C ATOM 1224 CE1 PHE A 99 4.493 0.548 -4.093 1.00 0.00 C ATOM 1225 CE2 PHE A 99 3.178 1.007 -6.035 1.00 0.00 C ATOM 1226 CZ PHE A 99 3.572 0.139 -5.037 1.00 0.00 C ATOM 0 H PHE A 99 3.278 5.740 -4.621 1.00 0.00 H new ATOM 0 HA PHE A 99 5.273 4.233 -3.063 1.00 0.00 H new ATOM 0 HB2 PHE A 99 4.718 4.645 -6.015 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.264 4.030 -5.464 1.00 0.00 H new ATOM 0 HD1 PHE A 99 5.738 2.138 -3.408 1.00 0.00 H new ATOM 0 HD2 PHE A 99 3.392 2.958 -6.870 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.803 -0.130 -3.311 1.00 0.00 H new ATOM 0 HE2 PHE A 99 2.458 0.689 -6.775 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.161 -0.859 -4.994 1.00 0.00 H new