USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 611 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 39 TYR OH : rot 180:sc= -0.334 USER MOD Set 1.2: A 80 GLN : amide:sc= -0.264 K(o=-22,f=-26!) USER MOD Set 1.3: A 83 HIS : no HD1:sc= -21.8! C(o=-22!,f=-29!) USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl -146:sc= -8.26! (180deg=-10.5!) USER MOD Single : A 28 SER OG : rot 93:sc= -3.7! USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0193 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0309 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 19:sc= -2.04! USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 130:sc= 0.26 USER MOD Single : A 67 THR OG1 : rot 180:sc= -2.17! USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.264 X(o=-0.26,f=-0.069) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot -90:sc= 0.365 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 22:sc= 1.23 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 20 -2.976 11.216 0.739 1.00 0.00 N ATOM 2 CA CYS A 20 -2.954 12.060 -0.492 1.00 0.00 C ATOM 3 C CYS A 20 -2.475 11.237 -1.691 1.00 0.00 C ATOM 4 O CYS A 20 -3.073 11.257 -2.749 1.00 0.00 O ATOM 5 CB CYS A 20 -1.965 13.184 -0.185 1.00 0.00 C ATOM 6 SG CYS A 20 -2.785 14.451 0.816 1.00 0.00 S ATOM 0 HA CYS A 20 -3.942 12.444 -0.745 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -1.101 12.787 0.348 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -1.595 13.621 -1.112 1.00 0.00 H new ATOM 0 HG CYS A 20 -1.944 15.407 1.080 1.00 0.00 H new ATOM 14 N LYS A 21 -1.400 10.512 -1.537 1.00 0.00 N ATOM 15 CA LYS A 21 -0.885 9.690 -2.671 1.00 0.00 C ATOM 16 C LYS A 21 -1.738 8.431 -2.841 1.00 0.00 C ATOM 17 O LYS A 21 -2.349 7.954 -1.907 1.00 0.00 O ATOM 18 CB LYS A 21 0.548 9.317 -2.276 1.00 0.00 C ATOM 19 CG LYS A 21 0.520 8.214 -1.211 1.00 0.00 C ATOM 20 CD LYS A 21 1.820 8.243 -0.406 1.00 0.00 C ATOM 21 CE LYS A 21 1.501 8.081 1.082 1.00 0.00 C ATOM 22 NZ LYS A 21 2.811 7.792 1.727 1.00 0.00 N ATOM 0 H LYS A 21 -0.856 10.453 -0.676 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.919 10.228 -3.618 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.100 8.976 -3.152 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.070 10.194 -1.892 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.333 8.357 -0.548 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.396 7.240 -1.685 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.483 7.443 -0.736 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.345 9.183 -0.576 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.051 8.986 1.490 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.792 7.270 1.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.674 7.668 2.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.212 6.921 1.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.463 8.584 1.558 1.00 0.00 H new ATOM 36 N MET A 22 -1.778 7.883 -4.026 1.00 0.00 N ATOM 37 CA MET A 22 -2.584 6.649 -4.240 1.00 0.00 C ATOM 38 C MET A 22 -1.844 5.447 -3.648 1.00 0.00 C ATOM 39 O MET A 22 -0.719 5.559 -3.206 1.00 0.00 O ATOM 40 CB MET A 22 -2.747 6.534 -5.768 1.00 0.00 C ATOM 41 CG MET A 22 -1.705 5.576 -6.369 1.00 0.00 C ATOM 42 SD MET A 22 -2.433 3.927 -6.536 1.00 0.00 S ATOM 43 CE MET A 22 -2.410 3.850 -8.344 1.00 0.00 C ATOM 0 H MET A 22 -1.290 8.235 -4.850 1.00 0.00 H new ATOM 0 HA MET A 22 -3.558 6.682 -3.751 1.00 0.00 H new ATOM 0 HB2 MET A 22 -3.750 6.178 -6.003 1.00 0.00 H new ATOM 0 HB3 MET A 22 -2.643 7.519 -6.222 1.00 0.00 H new ATOM 0 HG2 MET A 22 -1.377 5.941 -7.342 1.00 0.00 H new ATOM 0 HG3 MET A 22 -0.823 5.533 -5.731 1.00 0.00 H new ATOM 0 HE1 MET A 22 -3.277 3.290 -8.695 1.00 0.00 H new ATOM 0 HE2 MET A 22 -2.441 4.860 -8.752 1.00 0.00 H new ATOM 0 HE3 MET A 22 -1.498 3.353 -8.675 1.00 0.00 H new ATOM 53 N PHE A 23 -2.460 4.302 -3.640 1.00 0.00 N ATOM 54 CA PHE A 23 -1.777 3.107 -3.082 1.00 0.00 C ATOM 55 C PHE A 23 -2.283 1.846 -3.783 1.00 0.00 C ATOM 56 O PHE A 23 -3.454 1.703 -4.058 1.00 0.00 O ATOM 57 CB PHE A 23 -2.143 3.100 -1.596 1.00 0.00 C ATOM 58 CG PHE A 23 -1.571 1.867 -0.937 1.00 0.00 C ATOM 59 CD1 PHE A 23 -0.370 1.319 -1.402 1.00 0.00 C ATOM 60 CD2 PHE A 23 -2.238 1.272 0.143 1.00 0.00 C ATOM 61 CE1 PHE A 23 0.165 0.179 -0.791 1.00 0.00 C ATOM 62 CE2 PHE A 23 -1.703 0.131 0.754 1.00 0.00 C ATOM 63 CZ PHE A 23 -0.502 -0.416 0.287 1.00 0.00 C ATOM 0 H PHE A 23 -3.403 4.142 -3.994 1.00 0.00 H new ATOM 0 HA PHE A 23 -0.697 3.133 -3.225 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -1.755 3.996 -1.112 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -3.226 3.118 -1.478 1.00 0.00 H new ATOM 0 HD1 PHE A 23 0.145 1.777 -2.234 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -3.165 1.694 0.504 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.092 -0.242 -1.151 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -2.217 -0.327 1.586 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.090 -1.296 0.758 1.00 0.00 H new ATOM 73 N ILE A 24 -1.401 0.935 -4.076 1.00 0.00 N ATOM 74 CA ILE A 24 -1.809 -0.322 -4.760 1.00 0.00 C ATOM 75 C ILE A 24 -1.761 -1.470 -3.748 1.00 0.00 C ATOM 76 O ILE A 24 -1.035 -1.409 -2.779 1.00 0.00 O ATOM 77 CB ILE A 24 -0.778 -0.500 -5.882 1.00 0.00 C ATOM 78 CG1 ILE A 24 -0.929 0.638 -6.898 1.00 0.00 C ATOM 79 CG2 ILE A 24 -1.005 -1.838 -6.584 1.00 0.00 C ATOM 80 CD1 ILE A 24 -2.408 0.848 -7.220 1.00 0.00 C ATOM 0 H ILE A 24 -0.405 1.008 -3.869 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.821 -0.300 -5.163 1.00 0.00 H new ATOM 0 HB ILE A 24 0.225 -0.481 -5.456 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -0.500 1.556 -6.496 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.379 0.401 -7.809 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -0.271 -1.960 -7.380 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.898 -2.649 -5.864 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.008 -1.860 -7.009 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -2.512 1.658 -7.942 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -2.823 -0.068 -7.640 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.946 1.105 -6.308 1.00 0.00 H new ATOM 92 N GLY A 25 -2.546 -2.499 -3.929 1.00 0.00 N ATOM 93 CA GLY A 25 -2.540 -3.606 -2.924 1.00 0.00 C ATOM 94 C GLY A 25 -2.299 -4.968 -3.581 1.00 0.00 C ATOM 95 O GLY A 25 -2.832 -5.272 -4.630 1.00 0.00 O ATOM 0 H GLY A 25 -3.183 -2.622 -4.716 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.765 -3.418 -2.181 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.492 -3.621 -2.394 1.00 0.00 H new ATOM 99 N GLY A 26 -1.507 -5.794 -2.947 1.00 0.00 N ATOM 100 CA GLY A 26 -1.225 -7.153 -3.493 1.00 0.00 C ATOM 101 C GLY A 26 -0.661 -7.025 -4.899 1.00 0.00 C ATOM 102 O GLY A 26 -1.045 -7.741 -5.802 1.00 0.00 O ATOM 0 H GLY A 26 -1.040 -5.582 -2.066 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.516 -7.675 -2.851 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.138 -7.748 -3.508 1.00 0.00 H new ATOM 106 N LEU A 27 0.240 -6.109 -5.097 1.00 0.00 N ATOM 107 CA LEU A 27 0.815 -5.928 -6.453 1.00 0.00 C ATOM 108 C LEU A 27 1.818 -7.040 -6.766 1.00 0.00 C ATOM 109 O LEU A 27 2.551 -7.494 -5.908 1.00 0.00 O ATOM 110 CB LEU A 27 1.456 -4.528 -6.438 1.00 0.00 C ATOM 111 CG LEU A 27 2.973 -4.606 -6.238 1.00 0.00 C ATOM 112 CD1 LEU A 27 3.579 -3.224 -6.489 1.00 0.00 C ATOM 113 CD2 LEU A 27 3.278 -5.043 -4.806 1.00 0.00 C ATOM 0 H LEU A 27 0.602 -5.480 -4.381 1.00 0.00 H new ATOM 0 HA LEU A 27 0.065 -5.994 -7.241 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.238 -4.017 -7.376 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.013 -3.933 -5.640 1.00 0.00 H new ATOM 0 HG LEU A 27 3.400 -5.329 -6.933 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.659 -3.269 -6.349 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.358 -2.910 -7.509 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.152 -2.507 -5.788 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.357 -5.098 -4.665 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.857 -4.320 -4.107 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.837 -6.023 -4.623 1.00 0.00 H new ATOM 125 N SER A 28 1.839 -7.489 -7.992 1.00 0.00 N ATOM 126 CA SER A 28 2.774 -8.586 -8.380 1.00 0.00 C ATOM 127 C SER A 28 4.131 -8.397 -7.700 1.00 0.00 C ATOM 128 O SER A 28 4.690 -7.320 -7.691 1.00 0.00 O ATOM 129 CB SER A 28 2.911 -8.473 -9.896 1.00 0.00 C ATOM 130 OG SER A 28 1.624 -8.293 -10.472 1.00 0.00 O ATOM 0 H SER A 28 1.246 -7.142 -8.746 1.00 0.00 H new ATOM 0 HA SER A 28 2.406 -9.566 -8.077 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.557 -7.634 -10.153 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.380 -9.371 -10.298 1.00 0.00 H new ATOM 0 HG SER A 28 1.441 -7.335 -10.570 1.00 0.00 H new ATOM 136 N TRP A 29 4.657 -9.441 -7.125 1.00 0.00 N ATOM 137 CA TRP A 29 5.974 -9.333 -6.437 1.00 0.00 C ATOM 138 C TRP A 29 7.103 -9.165 -7.457 1.00 0.00 C ATOM 139 O TRP A 29 8.195 -8.750 -7.119 1.00 0.00 O ATOM 140 CB TRP A 29 6.128 -10.654 -5.681 1.00 0.00 C ATOM 141 CG TRP A 29 6.011 -11.792 -6.643 1.00 0.00 C ATOM 142 CD1 TRP A 29 4.917 -12.572 -6.793 1.00 0.00 C ATOM 143 CD2 TRP A 29 7.001 -12.288 -7.590 1.00 0.00 C ATOM 144 NE1 TRP A 29 5.172 -13.518 -7.771 1.00 0.00 N ATOM 145 CE2 TRP A 29 6.444 -13.383 -8.292 1.00 0.00 C ATOM 146 CE3 TRP A 29 8.316 -11.899 -7.904 1.00 0.00 C ATOM 147 CZ2 TRP A 29 7.165 -14.068 -9.272 1.00 0.00 C ATOM 148 CZ3 TRP A 29 9.045 -12.585 -8.890 1.00 0.00 C ATOM 149 CH2 TRP A 29 8.470 -13.668 -9.571 1.00 0.00 C ATOM 0 H TRP A 29 4.231 -10.367 -7.101 1.00 0.00 H new ATOM 0 HA TRP A 29 6.022 -8.469 -5.774 1.00 0.00 H new ATOM 0 HB2 TRP A 29 7.094 -10.687 -5.177 1.00 0.00 H new ATOM 0 HB3 TRP A 29 5.363 -10.736 -4.909 1.00 0.00 H new ATOM 0 HD1 TRP A 29 3.995 -12.473 -6.240 1.00 0.00 H new ATOM 0 HE1 TRP A 29 4.503 -14.227 -8.070 1.00 0.00 H new ATOM 0 HE3 TRP A 29 8.768 -11.068 -7.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 6.718 -14.900 -9.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 10.053 -12.277 -9.125 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.036 -14.193 -10.326 1.00 0.00 H new ATOM 160 N GLN A 30 6.858 -9.491 -8.697 1.00 0.00 N ATOM 161 CA GLN A 30 7.926 -9.356 -9.720 1.00 0.00 C ATOM 162 C GLN A 30 7.898 -7.969 -10.353 1.00 0.00 C ATOM 163 O GLN A 30 8.851 -7.532 -10.965 1.00 0.00 O ATOM 164 CB GLN A 30 7.631 -10.437 -10.763 1.00 0.00 C ATOM 165 CG GLN A 30 6.431 -10.022 -11.621 1.00 0.00 C ATOM 166 CD GLN A 30 6.413 -10.858 -12.902 1.00 0.00 C ATOM 167 OE1 GLN A 30 5.894 -11.956 -12.918 1.00 0.00 O ATOM 168 NE2 GLN A 30 6.963 -10.381 -13.985 1.00 0.00 N ATOM 0 H GLN A 30 5.966 -9.844 -9.042 1.00 0.00 H new ATOM 0 HA GLN A 30 8.918 -9.476 -9.285 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.505 -10.592 -11.396 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.424 -11.386 -10.268 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.504 -10.167 -11.065 1.00 0.00 H new ATOM 0 HG3 GLN A 30 6.493 -8.962 -11.866 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.399 -9.459 -13.972 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.957 -10.930 -14.844 1.00 0.00 H new ATOM 177 N THR A 31 6.810 -7.283 -10.213 1.00 0.00 N ATOM 178 CA THR A 31 6.707 -5.925 -10.808 1.00 0.00 C ATOM 179 C THR A 31 7.853 -5.048 -10.303 1.00 0.00 C ATOM 180 O THR A 31 8.744 -5.510 -9.620 1.00 0.00 O ATOM 181 CB THR A 31 5.358 -5.379 -10.335 1.00 0.00 C ATOM 182 OG1 THR A 31 5.017 -4.236 -11.107 1.00 0.00 O ATOM 183 CG2 THR A 31 5.447 -4.990 -8.859 1.00 0.00 C ATOM 0 H THR A 31 5.981 -7.601 -9.711 1.00 0.00 H new ATOM 0 HA THR A 31 6.773 -5.942 -11.896 1.00 0.00 H new ATOM 0 HB THR A 31 4.593 -6.146 -10.458 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.152 -3.885 -10.807 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.484 -4.602 -8.526 1.00 0.00 H new ATOM 0 HG22 THR A 31 5.709 -5.867 -8.267 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.211 -4.224 -8.730 1.00 0.00 H new ATOM 191 N THR A 32 7.833 -3.788 -10.628 1.00 0.00 N ATOM 192 CA THR A 32 8.921 -2.885 -10.157 1.00 0.00 C ATOM 193 C THR A 32 8.368 -1.479 -9.932 1.00 0.00 C ATOM 194 O THR A 32 7.175 -1.256 -9.993 1.00 0.00 O ATOM 195 CB THR A 32 9.961 -2.889 -11.278 1.00 0.00 C ATOM 196 OG1 THR A 32 11.171 -2.320 -10.799 1.00 0.00 O ATOM 197 CG2 THR A 32 9.446 -2.071 -12.459 1.00 0.00 C ATOM 0 H THR A 32 7.113 -3.343 -11.198 1.00 0.00 H new ATOM 0 HA THR A 32 9.353 -3.212 -9.211 1.00 0.00 H new ATOM 0 HB THR A 32 10.142 -3.914 -11.602 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.840 -2.323 -11.515 1.00 0.00 H new ATOM 0 HG21 THR A 32 10.189 -2.076 -13.256 1.00 0.00 H new ATOM 0 HG22 THR A 32 8.517 -2.507 -12.826 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.263 -1.045 -12.139 1.00 0.00 H new ATOM 205 N GLN A 33 9.216 -0.528 -9.660 1.00 0.00 N ATOM 206 CA GLN A 33 8.720 0.849 -9.421 1.00 0.00 C ATOM 207 C GLN A 33 8.380 1.532 -10.742 1.00 0.00 C ATOM 208 O GLN A 33 7.226 1.700 -11.072 1.00 0.00 O ATOM 209 CB GLN A 33 9.852 1.586 -8.697 1.00 0.00 C ATOM 210 CG GLN A 33 10.502 0.661 -7.664 1.00 0.00 C ATOM 211 CD GLN A 33 10.838 1.462 -6.404 1.00 0.00 C ATOM 212 OE1 GLN A 33 9.955 1.883 -5.686 1.00 0.00 O ATOM 213 NE2 GLN A 33 12.088 1.693 -6.104 1.00 0.00 N ATOM 0 H GLN A 33 10.227 -0.647 -9.594 1.00 0.00 H new ATOM 0 HA GLN A 33 7.807 0.849 -8.825 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.598 1.921 -9.417 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.461 2.477 -8.205 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.827 -0.159 -7.418 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.407 0.215 -8.077 1.00 0.00 H new ATOM 0 HE21 GLN A 33 12.831 1.339 -6.707 1.00 0.00 H new ATOM 0 HE22 GLN A 33 12.321 2.227 -5.267 1.00 0.00 H new ATOM 222 N GLU A 34 9.359 1.936 -11.500 1.00 0.00 N ATOM 223 CA GLU A 34 9.044 2.608 -12.783 1.00 0.00 C ATOM 224 C GLU A 34 8.008 1.809 -13.552 1.00 0.00 C ATOM 225 O GLU A 34 7.090 2.359 -14.116 1.00 0.00 O ATOM 226 CB GLU A 34 10.350 2.677 -13.552 1.00 0.00 C ATOM 227 CG GLU A 34 10.372 4.005 -14.290 1.00 0.00 C ATOM 228 CD GLU A 34 11.327 3.919 -15.482 1.00 0.00 C ATOM 229 OE1 GLU A 34 11.083 3.101 -16.354 1.00 0.00 O ATOM 230 OE2 GLU A 34 12.287 4.673 -15.503 1.00 0.00 O ATOM 0 H GLU A 34 10.351 1.831 -11.288 1.00 0.00 H new ATOM 0 HA GLU A 34 8.628 3.603 -12.625 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.200 2.601 -12.873 1.00 0.00 H new ATOM 0 HB3 GLU A 34 10.427 1.846 -14.254 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.369 4.257 -14.633 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.688 4.801 -13.616 1.00 0.00 H new ATOM 237 N GLY A 35 8.128 0.519 -13.569 1.00 0.00 N ATOM 238 CA GLY A 35 7.115 -0.284 -14.292 1.00 0.00 C ATOM 239 C GLY A 35 5.755 0.048 -13.690 1.00 0.00 C ATOM 240 O GLY A 35 4.737 0.016 -14.354 1.00 0.00 O ATOM 0 H GLY A 35 8.875 -0.011 -13.119 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.130 -0.052 -15.357 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.328 -1.348 -14.195 1.00 0.00 H new ATOM 244 N LEU A 36 5.730 0.408 -12.439 1.00 0.00 N ATOM 245 CA LEU A 36 4.453 0.778 -11.822 1.00 0.00 C ATOM 246 C LEU A 36 4.173 2.241 -12.187 1.00 0.00 C ATOM 247 O LEU A 36 3.056 2.616 -12.484 1.00 0.00 O ATOM 248 CB LEU A 36 4.695 0.561 -10.325 1.00 0.00 C ATOM 249 CG LEU A 36 4.130 1.717 -9.514 1.00 0.00 C ATOM 250 CD1 LEU A 36 2.656 1.907 -9.868 1.00 0.00 C ATOM 251 CD2 LEU A 36 4.276 1.390 -8.031 1.00 0.00 C ATOM 0 H LEU A 36 6.544 0.458 -11.827 1.00 0.00 H new ATOM 0 HA LEU A 36 3.585 0.204 -12.148 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.230 -0.373 -10.008 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.764 0.466 -10.135 1.00 0.00 H new ATOM 0 HG LEU A 36 4.669 2.638 -9.738 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.247 2.735 -9.289 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.563 2.127 -10.931 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.106 0.995 -9.636 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.875 2.211 -7.436 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.728 0.476 -7.804 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.330 1.250 -7.791 1.00 0.00 H new ATOM 263 N ARG A 37 5.193 3.062 -12.202 1.00 0.00 N ATOM 264 CA ARG A 37 4.992 4.481 -12.586 1.00 0.00 C ATOM 265 C ARG A 37 4.486 4.516 -14.012 1.00 0.00 C ATOM 266 O ARG A 37 3.797 5.421 -14.436 1.00 0.00 O ATOM 267 CB ARG A 37 6.372 5.132 -12.497 1.00 0.00 C ATOM 268 CG ARG A 37 7.049 4.714 -11.198 1.00 0.00 C ATOM 269 CD ARG A 37 8.150 5.718 -10.856 1.00 0.00 C ATOM 270 NE ARG A 37 9.162 4.937 -10.089 1.00 0.00 N ATOM 271 CZ ARG A 37 10.285 5.496 -9.731 1.00 0.00 C ATOM 272 NH1 ARG A 37 11.032 6.090 -10.622 1.00 0.00 N ATOM 273 NH2 ARG A 37 10.661 5.463 -8.482 1.00 0.00 N ATOM 0 H ARG A 37 6.151 2.806 -11.965 1.00 0.00 H new ATOM 0 HA ARG A 37 4.274 4.998 -11.949 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.982 4.834 -13.350 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.277 6.217 -12.537 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.318 4.670 -10.391 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.471 3.714 -11.300 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.585 6.149 -11.758 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.759 6.546 -10.264 1.00 0.00 H new ATOM 0 HE ARG A 37 8.976 3.964 -9.844 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.738 6.117 -11.598 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.910 6.527 -10.342 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.077 5.000 -7.786 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.539 5.900 -8.202 1.00 0.00 H new ATOM 287 N GLU A 38 4.838 3.513 -14.744 1.00 0.00 N ATOM 288 CA GLU A 38 4.413 3.412 -16.150 1.00 0.00 C ATOM 289 C GLU A 38 3.049 2.718 -16.220 1.00 0.00 C ATOM 290 O GLU A 38 2.337 2.822 -17.198 1.00 0.00 O ATOM 291 CB GLU A 38 5.527 2.598 -16.842 1.00 0.00 C ATOM 292 CG GLU A 38 5.159 1.115 -16.923 1.00 0.00 C ATOM 293 CD GLU A 38 4.574 0.805 -18.302 1.00 0.00 C ATOM 294 OE1 GLU A 38 5.345 0.677 -19.239 1.00 0.00 O ATOM 295 OE2 GLU A 38 3.361 0.701 -18.398 1.00 0.00 O ATOM 0 H GLU A 38 5.417 2.740 -14.418 1.00 0.00 H new ATOM 0 HA GLU A 38 4.286 4.378 -16.638 1.00 0.00 H new ATOM 0 HB2 GLU A 38 5.697 2.989 -17.845 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.461 2.714 -16.292 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.042 0.501 -16.745 1.00 0.00 H new ATOM 0 HG3 GLU A 38 4.436 0.867 -16.146 1.00 0.00 H new ATOM 302 N TYR A 39 2.679 2.009 -15.182 1.00 0.00 N ATOM 303 CA TYR A 39 1.364 1.318 -15.199 1.00 0.00 C ATOM 304 C TYR A 39 0.244 2.308 -14.888 1.00 0.00 C ATOM 305 O TYR A 39 -0.870 2.173 -15.354 1.00 0.00 O ATOM 306 CB TYR A 39 1.439 0.248 -14.111 1.00 0.00 C ATOM 307 CG TYR A 39 0.131 -0.508 -14.084 1.00 0.00 C ATOM 308 CD1 TYR A 39 -0.989 0.054 -13.457 1.00 0.00 C ATOM 309 CD2 TYR A 39 0.033 -1.765 -14.695 1.00 0.00 C ATOM 310 CE1 TYR A 39 -2.206 -0.641 -13.441 1.00 0.00 C ATOM 311 CE2 TYR A 39 -1.184 -2.458 -14.680 1.00 0.00 C ATOM 312 CZ TYR A 39 -2.303 -1.898 -14.052 1.00 0.00 C ATOM 313 OH TYR A 39 -3.501 -2.582 -14.037 1.00 0.00 O ATOM 0 H TYR A 39 3.229 1.883 -14.333 1.00 0.00 H new ATOM 0 HA TYR A 39 1.153 0.883 -16.176 1.00 0.00 H new ATOM 0 HB2 TYR A 39 2.266 -0.434 -14.308 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.630 0.708 -13.141 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.914 1.023 -12.986 1.00 0.00 H new ATOM 0 HD2 TYR A 39 0.896 -2.200 -15.178 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.069 -0.208 -12.958 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.259 -3.426 -15.154 1.00 0.00 H new ATOM 0 HH TYR A 39 -3.396 -3.437 -14.505 1.00 0.00 H new ATOM 323 N PHE A 40 0.537 3.307 -14.106 1.00 0.00 N ATOM 324 CA PHE A 40 -0.497 4.319 -13.761 1.00 0.00 C ATOM 325 C PHE A 40 -0.171 5.629 -14.469 1.00 0.00 C ATOM 326 O PHE A 40 -1.038 6.432 -14.748 1.00 0.00 O ATOM 327 CB PHE A 40 -0.408 4.478 -12.243 1.00 0.00 C ATOM 328 CG PHE A 40 -1.202 3.379 -11.578 1.00 0.00 C ATOM 329 CD1 PHE A 40 -2.596 3.353 -11.699 1.00 0.00 C ATOM 330 CD2 PHE A 40 -0.545 2.385 -10.840 1.00 0.00 C ATOM 331 CE1 PHE A 40 -3.334 2.338 -11.086 1.00 0.00 C ATOM 332 CE2 PHE A 40 -1.285 1.367 -10.224 1.00 0.00 C ATOM 333 CZ PHE A 40 -2.680 1.343 -10.348 1.00 0.00 C ATOM 0 H PHE A 40 1.454 3.467 -13.689 1.00 0.00 H new ATOM 0 HA PHE A 40 -1.501 4.025 -14.069 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.633 4.436 -11.922 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.794 5.453 -11.945 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -3.102 4.119 -12.267 1.00 0.00 H new ATOM 0 HD2 PHE A 40 0.531 2.404 -10.746 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.410 2.320 -11.181 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.780 0.601 -9.654 1.00 0.00 H new ATOM 0 HZ PHE A 40 -3.251 0.558 -9.875 1.00 0.00 H new ATOM 343 N GLY A 41 1.078 5.838 -14.780 1.00 0.00 N ATOM 344 CA GLY A 41 1.464 7.086 -15.493 1.00 0.00 C ATOM 345 C GLY A 41 0.930 7.017 -16.924 1.00 0.00 C ATOM 346 O GLY A 41 0.988 7.975 -17.669 1.00 0.00 O ATOM 0 H GLY A 41 1.846 5.200 -14.572 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.056 7.957 -14.979 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.548 7.198 -15.499 1.00 0.00 H new ATOM 350 N GLN A 42 0.405 5.883 -17.311 1.00 0.00 N ATOM 351 CA GLN A 42 -0.138 5.738 -18.684 1.00 0.00 C ATOM 352 C GLN A 42 -1.326 6.680 -18.870 1.00 0.00 C ATOM 353 O GLN A 42 -1.400 7.426 -19.826 1.00 0.00 O ATOM 354 CB GLN A 42 -0.587 4.279 -18.779 1.00 0.00 C ATOM 355 CG GLN A 42 -1.375 4.067 -20.073 1.00 0.00 C ATOM 356 CD GLN A 42 -0.987 2.724 -20.696 1.00 0.00 C ATOM 357 OE1 GLN A 42 -1.362 1.680 -20.199 1.00 0.00 O ATOM 358 NE2 GLN A 42 -0.246 2.707 -21.769 1.00 0.00 N ATOM 0 H GLN A 42 0.331 5.050 -16.728 1.00 0.00 H new ATOM 0 HA GLN A 42 0.593 5.986 -19.453 1.00 0.00 H new ATOM 0 HB2 GLN A 42 0.280 3.619 -18.757 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.205 4.022 -17.919 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -2.445 4.088 -19.867 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -1.169 4.877 -20.773 1.00 0.00 H new ATOM 0 HE21 GLN A 42 0.068 3.583 -22.186 1.00 0.00 H new ATOM 0 HE22 GLN A 42 0.019 1.817 -22.192 1.00 0.00 H new ATOM 367 N PHE A 43 -2.252 6.656 -17.952 1.00 0.00 N ATOM 368 CA PHE A 43 -3.434 7.556 -18.060 1.00 0.00 C ATOM 369 C PHE A 43 -3.409 8.581 -16.925 1.00 0.00 C ATOM 370 O PHE A 43 -4.377 9.271 -16.674 1.00 0.00 O ATOM 371 CB PHE A 43 -4.658 6.641 -17.942 1.00 0.00 C ATOM 372 CG PHE A 43 -4.445 5.628 -16.841 1.00 0.00 C ATOM 373 CD1 PHE A 43 -4.312 6.049 -15.514 1.00 0.00 C ATOM 374 CD2 PHE A 43 -4.390 4.262 -17.151 1.00 0.00 C ATOM 375 CE1 PHE A 43 -4.123 5.106 -14.495 1.00 0.00 C ATOM 376 CE2 PHE A 43 -4.200 3.320 -16.133 1.00 0.00 C ATOM 377 CZ PHE A 43 -4.067 3.742 -14.805 1.00 0.00 C ATOM 0 H PHE A 43 -2.241 6.051 -17.131 1.00 0.00 H new ATOM 0 HA PHE A 43 -3.446 8.114 -18.996 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -5.547 7.236 -17.733 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -4.832 6.130 -18.889 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.355 7.101 -15.275 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.494 3.936 -18.175 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.021 5.431 -13.470 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.156 2.268 -16.372 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.921 3.015 -14.020 1.00 0.00 H new ATOM 387 N GLY A 44 -2.304 8.686 -16.237 1.00 0.00 N ATOM 388 CA GLY A 44 -2.208 9.666 -15.118 1.00 0.00 C ATOM 389 C GLY A 44 -0.803 10.276 -15.091 1.00 0.00 C ATOM 390 O GLY A 44 -0.383 10.930 -16.023 1.00 0.00 O ATOM 0 H GLY A 44 -1.462 8.134 -16.402 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -2.954 10.451 -15.243 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -2.420 9.173 -14.169 1.00 0.00 H new ATOM 394 N GLU A 45 -0.074 10.058 -14.029 1.00 0.00 N ATOM 395 CA GLU A 45 1.305 10.611 -13.932 1.00 0.00 C ATOM 396 C GLU A 45 1.908 10.272 -12.565 1.00 0.00 C ATOM 397 O GLU A 45 1.577 10.876 -11.563 1.00 0.00 O ATOM 398 CB GLU A 45 1.150 12.126 -14.087 1.00 0.00 C ATOM 399 CG GLU A 45 0.116 12.638 -13.083 1.00 0.00 C ATOM 400 CD GLU A 45 -0.738 13.722 -13.742 1.00 0.00 C ATOM 401 OE1 GLU A 45 -0.188 14.504 -14.500 1.00 0.00 O ATOM 402 OE2 GLU A 45 -1.929 13.752 -13.478 1.00 0.00 O ATOM 0 H GLU A 45 -0.378 9.517 -13.220 1.00 0.00 H new ATOM 0 HA GLU A 45 1.968 10.196 -14.691 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.108 12.619 -13.922 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.837 12.368 -15.103 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.516 11.817 -12.745 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.616 13.039 -12.202 1.00 0.00 H new ATOM 409 N VAL A 46 2.787 9.308 -12.514 1.00 0.00 N ATOM 410 CA VAL A 46 3.401 8.929 -11.208 1.00 0.00 C ATOM 411 C VAL A 46 4.667 9.749 -10.947 1.00 0.00 C ATOM 412 O VAL A 46 5.571 9.789 -11.757 1.00 0.00 O ATOM 413 CB VAL A 46 3.749 7.447 -11.353 1.00 0.00 C ATOM 414 CG1 VAL A 46 4.394 6.942 -10.060 1.00 0.00 C ATOM 415 CG2 VAL A 46 2.477 6.646 -11.633 1.00 0.00 C ATOM 0 H VAL A 46 3.106 8.767 -13.318 1.00 0.00 H new ATOM 0 HA VAL A 46 2.728 9.117 -10.371 1.00 0.00 H new ATOM 0 HB VAL A 46 4.447 7.321 -12.181 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.641 5.886 -10.165 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.303 7.509 -9.861 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.697 7.071 -9.232 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.727 5.590 -11.736 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.777 6.774 -10.807 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.019 7.002 -12.556 1.00 0.00 H new ATOM 425 N LYS A 47 4.743 10.395 -9.813 1.00 0.00 N ATOM 426 CA LYS A 47 5.955 11.203 -9.492 1.00 0.00 C ATOM 427 C LYS A 47 6.795 10.473 -8.440 1.00 0.00 C ATOM 428 O LYS A 47 7.998 10.633 -8.367 1.00 0.00 O ATOM 429 CB LYS A 47 5.422 12.525 -8.938 1.00 0.00 C ATOM 430 CG LYS A 47 5.573 13.620 -9.996 1.00 0.00 C ATOM 431 CD LYS A 47 6.658 14.606 -9.559 1.00 0.00 C ATOM 432 CE LYS A 47 8.037 13.980 -9.778 1.00 0.00 C ATOM 433 NZ LYS A 47 8.704 14.055 -8.449 1.00 0.00 N ATOM 0 H LYS A 47 4.018 10.398 -9.096 1.00 0.00 H new ATOM 0 HA LYS A 47 6.593 11.363 -10.361 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.374 12.418 -8.657 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.967 12.799 -8.035 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.834 13.178 -10.957 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.626 14.142 -10.132 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.573 15.532 -10.128 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.527 14.864 -8.508 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.953 12.949 -10.121 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.602 14.523 -10.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.657 13.645 -8.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.775 15.049 -8.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.146 13.524 -7.750 1.00 0.00 H new ATOM 447 N GLU A 48 6.165 9.665 -7.632 1.00 0.00 N ATOM 448 CA GLU A 48 6.915 8.909 -6.585 1.00 0.00 C ATOM 449 C GLU A 48 6.096 7.691 -6.151 1.00 0.00 C ATOM 450 O GLU A 48 4.915 7.791 -5.884 1.00 0.00 O ATOM 451 CB GLU A 48 7.089 9.889 -5.424 1.00 0.00 C ATOM 452 CG GLU A 48 5.756 10.580 -5.128 1.00 0.00 C ATOM 453 CD GLU A 48 5.983 11.718 -4.131 1.00 0.00 C ATOM 454 OE1 GLU A 48 6.235 11.424 -2.975 1.00 0.00 O ATOM 455 OE2 GLU A 48 5.901 12.864 -4.541 1.00 0.00 O ATOM 0 H GLU A 48 5.160 9.494 -7.651 1.00 0.00 H new ATOM 0 HA GLU A 48 7.878 8.543 -6.941 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.440 9.360 -4.538 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.847 10.632 -5.673 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.324 10.970 -6.049 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.044 9.862 -4.721 1.00 0.00 H new ATOM 462 N CYS A 49 6.703 6.536 -6.092 1.00 0.00 N ATOM 463 CA CYS A 49 5.935 5.321 -5.694 1.00 0.00 C ATOM 464 C CYS A 49 6.837 4.297 -4.991 1.00 0.00 C ATOM 465 O CYS A 49 8.031 4.252 -5.209 1.00 0.00 O ATOM 466 CB CYS A 49 5.416 4.755 -7.015 1.00 0.00 C ATOM 467 SG CYS A 49 6.807 4.148 -8.001 1.00 0.00 S ATOM 0 H CYS A 49 7.689 6.382 -6.300 1.00 0.00 H new ATOM 0 HA CYS A 49 5.137 5.554 -4.989 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.711 3.946 -6.824 1.00 0.00 H new ATOM 0 HB3 CYS A 49 4.875 5.525 -7.565 1.00 0.00 H new ATOM 0 HG CYS A 49 7.837 3.963 -7.230 1.00 0.00 H new ATOM 473 N LEU A 50 6.263 3.461 -4.163 1.00 0.00 N ATOM 474 CA LEU A 50 7.072 2.424 -3.462 1.00 0.00 C ATOM 475 C LEU A 50 6.469 1.039 -3.738 1.00 0.00 C ATOM 476 O LEU A 50 5.297 0.814 -3.539 1.00 0.00 O ATOM 477 CB LEU A 50 7.022 2.815 -1.971 1.00 0.00 C ATOM 478 CG LEU A 50 6.148 1.856 -1.149 1.00 0.00 C ATOM 479 CD1 LEU A 50 6.836 0.495 -1.043 1.00 0.00 C ATOM 480 CD2 LEU A 50 5.958 2.441 0.251 1.00 0.00 C ATOM 0 H LEU A 50 5.267 3.454 -3.943 1.00 0.00 H new ATOM 0 HA LEU A 50 8.107 2.373 -3.801 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.033 2.821 -1.565 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.634 3.829 -1.876 1.00 0.00 H new ATOM 0 HG LEU A 50 5.181 1.730 -1.635 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.213 -0.183 -0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.984 0.083 -2.041 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.802 0.613 -0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.339 1.769 0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.929 2.559 0.731 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.470 3.413 0.176 1.00 0.00 H new ATOM 492 N VAL A 51 7.254 0.115 -4.219 1.00 0.00 N ATOM 493 CA VAL A 51 6.700 -1.237 -4.533 1.00 0.00 C ATOM 494 C VAL A 51 6.782 -2.186 -3.334 1.00 0.00 C ATOM 495 O VAL A 51 7.433 -1.921 -2.344 1.00 0.00 O ATOM 496 CB VAL A 51 7.572 -1.774 -5.673 1.00 0.00 C ATOM 497 CG1 VAL A 51 7.402 -3.297 -5.786 1.00 0.00 C ATOM 498 CG2 VAL A 51 7.153 -1.117 -6.989 1.00 0.00 C ATOM 0 H VAL A 51 8.249 0.234 -4.408 1.00 0.00 H new ATOM 0 HA VAL A 51 5.645 -1.167 -4.798 1.00 0.00 H new ATOM 0 HB VAL A 51 8.617 -1.543 -5.465 1.00 0.00 H new ATOM 0 HG11 VAL A 51 8.024 -3.673 -6.598 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.704 -3.767 -4.850 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.357 -3.532 -5.990 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.773 -1.499 -7.800 1.00 0.00 H new ATOM 0 HG22 VAL A 51 6.107 -1.346 -7.193 1.00 0.00 H new ATOM 0 HG23 VAL A 51 7.280 -0.037 -6.913 1.00 0.00 H new ATOM 508 N MET A 52 6.128 -3.309 -3.457 1.00 0.00 N ATOM 509 CA MET A 52 6.146 -4.337 -2.387 1.00 0.00 C ATOM 510 C MET A 52 6.113 -3.709 -1.002 1.00 0.00 C ATOM 511 O MET A 52 5.653 -2.605 -0.818 1.00 0.00 O ATOM 512 CB MET A 52 7.453 -5.094 -2.601 1.00 0.00 C ATOM 513 CG MET A 52 8.641 -4.187 -2.272 1.00 0.00 C ATOM 514 SD MET A 52 10.097 -5.201 -1.918 1.00 0.00 S ATOM 515 CE MET A 52 10.724 -4.226 -0.527 1.00 0.00 C ATOM 0 H MET A 52 5.571 -3.559 -4.274 1.00 0.00 H new ATOM 0 HA MET A 52 5.271 -4.985 -2.439 1.00 0.00 H new ATOM 0 HB2 MET A 52 7.477 -5.982 -1.969 1.00 0.00 H new ATOM 0 HB3 MET A 52 7.520 -5.436 -3.634 1.00 0.00 H new ATOM 0 HG2 MET A 52 8.845 -3.519 -3.109 1.00 0.00 H new ATOM 0 HG3 MET A 52 8.405 -3.559 -1.413 1.00 0.00 H new ATOM 0 HE1 MET A 52 11.638 -4.682 -0.146 1.00 0.00 H new ATOM 0 HE2 MET A 52 10.937 -3.210 -0.861 1.00 0.00 H new ATOM 0 HE3 MET A 52 9.975 -4.198 0.265 1.00 0.00 H new ATOM 525 N ARG A 53 6.599 -4.425 -0.029 1.00 0.00 N ATOM 526 CA ARG A 53 6.612 -3.908 1.360 1.00 0.00 C ATOM 527 C ARG A 53 7.799 -4.490 2.133 1.00 0.00 C ATOM 528 O ARG A 53 7.966 -5.691 2.219 1.00 0.00 O ATOM 529 CB ARG A 53 5.292 -4.376 1.971 1.00 0.00 C ATOM 530 CG ARG A 53 5.345 -4.216 3.492 1.00 0.00 C ATOM 531 CD ARG A 53 5.858 -2.819 3.847 1.00 0.00 C ATOM 532 NE ARG A 53 4.821 -2.250 4.752 1.00 0.00 N ATOM 533 CZ ARG A 53 4.795 -0.967 4.992 1.00 0.00 C ATOM 534 NH1 ARG A 53 5.911 -0.311 5.149 1.00 0.00 N ATOM 535 NH2 ARG A 53 3.653 -0.341 5.073 1.00 0.00 N ATOM 0 H ARG A 53 6.993 -5.359 -0.142 1.00 0.00 H new ATOM 0 HA ARG A 53 6.714 -2.823 1.394 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.465 -3.796 1.563 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.109 -5.419 1.711 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.353 -4.369 3.918 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.998 -4.974 3.924 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.829 -2.868 4.340 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.984 -2.206 2.955 1.00 0.00 H new ATOM 0 HE ARG A 53 4.130 -2.863 5.185 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.804 -0.800 5.084 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.891 0.691 5.337 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.780 -0.854 4.949 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.633 0.661 5.261 1.00 0.00 H new ATOM 549 N ASP A 54 8.623 -3.650 2.698 1.00 0.00 N ATOM 550 CA ASP A 54 9.798 -4.156 3.468 1.00 0.00 C ATOM 551 C ASP A 54 9.382 -5.336 4.357 1.00 0.00 C ATOM 552 O ASP A 54 8.766 -5.141 5.387 1.00 0.00 O ATOM 553 CB ASP A 54 10.239 -2.972 4.328 1.00 0.00 C ATOM 554 CG ASP A 54 11.643 -3.234 4.877 1.00 0.00 C ATOM 555 OD1 ASP A 54 11.972 -4.391 5.081 1.00 0.00 O ATOM 556 OD2 ASP A 54 12.365 -2.273 5.083 1.00 0.00 O ATOM 0 H ASP A 54 8.534 -2.635 2.660 1.00 0.00 H new ATOM 0 HA ASP A 54 10.597 -4.514 2.818 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.234 -2.057 3.736 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.538 -2.824 5.149 1.00 0.00 H new ATOM 561 N PRO A 55 9.730 -6.531 3.938 1.00 0.00 N ATOM 562 CA PRO A 55 9.379 -7.742 4.718 1.00 0.00 C ATOM 563 C PRO A 55 10.020 -7.693 6.109 1.00 0.00 C ATOM 564 O PRO A 55 11.166 -8.056 6.289 1.00 0.00 O ATOM 565 CB PRO A 55 9.978 -8.872 3.875 1.00 0.00 C ATOM 566 CG PRO A 55 10.654 -8.260 2.632 1.00 0.00 C ATOM 567 CD PRO A 55 10.483 -6.736 2.678 1.00 0.00 C ATOM 0 HA PRO A 55 8.309 -7.856 4.891 1.00 0.00 H new ATOM 0 HB2 PRO A 55 10.704 -9.435 4.461 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.199 -9.572 3.574 1.00 0.00 H new ATOM 0 HG2 PRO A 55 11.712 -8.521 2.611 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.208 -8.663 1.723 1.00 0.00 H new ATOM 0 HD2 PRO A 55 11.444 -6.221 2.692 1.00 0.00 H new ATOM 0 HD3 PRO A 55 9.934 -6.364 1.813 1.00 0.00 H new ATOM 575 N LEU A 56 9.288 -7.248 7.093 1.00 0.00 N ATOM 576 CA LEU A 56 9.848 -7.175 8.466 1.00 0.00 C ATOM 577 C LEU A 56 9.580 -8.487 9.205 1.00 0.00 C ATOM 578 O LEU A 56 10.464 -9.075 9.794 1.00 0.00 O ATOM 579 CB LEU A 56 9.111 -6.019 9.154 1.00 0.00 C ATOM 580 CG LEU A 56 8.892 -4.872 8.165 1.00 0.00 C ATOM 581 CD1 LEU A 56 8.354 -3.651 8.913 1.00 0.00 C ATOM 582 CD2 LEU A 56 10.221 -4.513 7.495 1.00 0.00 C ATOM 0 H LEU A 56 8.323 -6.931 7.002 1.00 0.00 H new ATOM 0 HA LEU A 56 10.926 -7.015 8.459 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.152 -6.366 9.538 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.688 -5.667 10.009 1.00 0.00 H new ATOM 0 HG LEU A 56 8.174 -5.180 7.405 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.198 -2.833 8.210 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.408 -3.905 9.391 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.073 -3.344 9.673 1.00 0.00 H new ATOM 0 HD21 LEU A 56 10.064 -3.696 6.791 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.940 -4.205 8.254 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.606 -5.382 6.962 1.00 0.00 H new ATOM 594 N THR A 57 8.359 -8.945 9.175 1.00 0.00 N ATOM 595 CA THR A 57 8.018 -10.219 9.872 1.00 0.00 C ATOM 596 C THR A 57 6.527 -10.527 9.708 1.00 0.00 C ATOM 597 O THR A 57 6.119 -11.671 9.669 1.00 0.00 O ATOM 598 CB THR A 57 8.361 -9.978 11.345 1.00 0.00 C ATOM 599 OG1 THR A 57 7.693 -10.943 12.146 1.00 0.00 O ATOM 600 CG2 THR A 57 7.915 -8.573 11.759 1.00 0.00 C ATOM 0 H THR A 57 7.580 -8.491 8.697 1.00 0.00 H new ATOM 0 HA THR A 57 8.565 -11.070 9.465 1.00 0.00 H new ATOM 0 HB THR A 57 9.438 -10.067 11.485 1.00 0.00 H new ATOM 0 HG1 THR A 57 7.911 -10.793 13.089 1.00 0.00 H new ATOM 0 HG21 THR A 57 8.162 -8.407 12.808 1.00 0.00 H new ATOM 0 HG22 THR A 57 8.427 -7.833 11.144 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.838 -8.477 11.620 1.00 0.00 H new ATOM 608 N LYS A 58 5.713 -9.513 9.606 1.00 0.00 N ATOM 609 CA LYS A 58 4.258 -9.738 9.439 1.00 0.00 C ATOM 610 C LYS A 58 3.614 -8.544 8.728 1.00 0.00 C ATOM 611 O LYS A 58 2.414 -8.363 8.762 1.00 0.00 O ATOM 612 CB LYS A 58 3.707 -9.884 10.860 1.00 0.00 C ATOM 613 CG LYS A 58 4.168 -8.702 11.717 1.00 0.00 C ATOM 614 CD LYS A 58 3.130 -7.581 11.647 1.00 0.00 C ATOM 615 CE LYS A 58 3.758 -6.272 12.131 1.00 0.00 C ATOM 616 NZ LYS A 58 2.606 -5.363 12.391 1.00 0.00 N ATOM 0 H LYS A 58 5.999 -8.534 9.632 1.00 0.00 H new ATOM 0 HA LYS A 58 4.046 -10.618 8.832 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.618 -9.925 10.836 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.051 -10.820 11.299 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.305 -9.021 12.750 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.134 -8.339 11.365 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.770 -7.468 10.624 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.266 -7.832 12.263 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.349 -6.428 13.034 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.428 -5.854 11.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.958 -4.444 12.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.066 -5.227 11.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.989 -5.783 13.115 1.00 0.00 H new ATOM 630 N ARG A 59 4.404 -7.725 8.090 1.00 0.00 N ATOM 631 CA ARG A 59 3.834 -6.541 7.382 1.00 0.00 C ATOM 632 C ARG A 59 2.797 -6.982 6.345 1.00 0.00 C ATOM 633 O ARG A 59 2.238 -8.058 6.427 1.00 0.00 O ATOM 634 CB ARG A 59 5.027 -5.863 6.702 1.00 0.00 C ATOM 635 CG ARG A 59 5.757 -6.866 5.805 1.00 0.00 C ATOM 636 CD ARG A 59 4.948 -7.104 4.531 1.00 0.00 C ATOM 637 NE ARG A 59 5.959 -7.432 3.488 1.00 0.00 N ATOM 638 CZ ARG A 59 5.784 -8.467 2.713 1.00 0.00 C ATOM 639 NH1 ARG A 59 5.824 -9.672 3.213 1.00 0.00 N ATOM 640 NH2 ARG A 59 5.568 -8.298 1.437 1.00 0.00 N ATOM 0 H ARG A 59 5.417 -7.823 8.028 1.00 0.00 H new ATOM 0 HA ARG A 59 3.322 -5.865 8.067 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.685 -5.015 6.110 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.711 -5.471 7.455 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.748 -6.488 5.553 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.900 -7.807 6.337 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.237 -7.920 4.662 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.372 -6.220 4.258 1.00 0.00 H new ATOM 0 HE ARG A 59 6.788 -6.848 3.379 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.992 -9.805 4.210 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.687 -10.481 2.607 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.536 -7.357 1.045 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.431 -9.107 0.831 1.00 0.00 H new ATOM 654 N SER A 60 2.530 -6.150 5.375 1.00 0.00 N ATOM 655 CA SER A 60 1.528 -6.499 4.334 1.00 0.00 C ATOM 656 C SER A 60 2.007 -7.695 3.502 1.00 0.00 C ATOM 657 O SER A 60 2.442 -8.697 4.036 1.00 0.00 O ATOM 658 CB SER A 60 1.415 -5.244 3.468 1.00 0.00 C ATOM 659 OG SER A 60 0.447 -5.461 2.450 1.00 0.00 O ATOM 0 H SER A 60 2.968 -5.236 5.260 1.00 0.00 H new ATOM 0 HA SER A 60 0.569 -6.789 4.763 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.129 -4.390 4.081 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.381 -5.007 3.022 1.00 0.00 H new ATOM 0 HG SER A 60 -0.187 -4.714 2.437 1.00 0.00 H new ATOM 665 N ARG A 61 1.927 -7.606 2.200 1.00 0.00 N ATOM 666 CA ARG A 61 2.377 -8.740 1.346 1.00 0.00 C ATOM 667 C ARG A 61 2.889 -8.222 -0.003 1.00 0.00 C ATOM 668 O ARG A 61 2.820 -8.907 -1.005 1.00 0.00 O ATOM 669 CB ARG A 61 1.131 -9.604 1.148 1.00 0.00 C ATOM 670 CG ARG A 61 1.000 -10.579 2.318 1.00 0.00 C ATOM 671 CD ARG A 61 0.622 -11.965 1.790 1.00 0.00 C ATOM 672 NE ARG A 61 1.566 -12.903 2.459 1.00 0.00 N ATOM 673 CZ ARG A 61 2.720 -13.168 1.910 1.00 0.00 C ATOM 674 NH1 ARG A 61 2.819 -14.134 1.038 1.00 0.00 N ATOM 675 NH2 ARG A 61 3.773 -12.469 2.234 1.00 0.00 N ATOM 0 H ARG A 61 1.569 -6.796 1.693 1.00 0.00 H new ATOM 0 HA ARG A 61 3.195 -9.298 1.801 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.244 -8.974 1.084 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.201 -10.153 0.209 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.940 -10.632 2.868 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.242 -10.225 3.016 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.413 -12.210 2.029 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.719 -12.014 0.705 1.00 0.00 H new ATOM 0 HE ARG A 61 1.311 -13.338 3.346 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.995 -14.680 0.787 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.720 -14.342 0.608 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.694 -11.715 2.917 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.675 -12.676 1.805 1.00 0.00 H new ATOM 689 N GLY A 62 3.404 -7.022 -0.041 1.00 0.00 N ATOM 690 CA GLY A 62 3.918 -6.475 -1.318 1.00 0.00 C ATOM 691 C GLY A 62 2.844 -5.598 -1.967 1.00 0.00 C ATOM 692 O GLY A 62 1.851 -6.086 -2.473 1.00 0.00 O ATOM 0 H GLY A 62 3.489 -6.400 0.763 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.820 -5.890 -1.139 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.193 -7.288 -1.990 1.00 0.00 H new ATOM 696 N PHE A 63 3.038 -4.307 -1.972 1.00 0.00 N ATOM 697 CA PHE A 63 2.029 -3.414 -2.606 1.00 0.00 C ATOM 698 C PHE A 63 2.731 -2.339 -3.434 1.00 0.00 C ATOM 699 O PHE A 63 3.935 -2.341 -3.570 1.00 0.00 O ATOM 700 CB PHE A 63 1.224 -2.793 -1.460 1.00 0.00 C ATOM 701 CG PHE A 63 2.119 -2.391 -0.309 1.00 0.00 C ATOM 702 CD1 PHE A 63 3.247 -1.590 -0.528 1.00 0.00 C ATOM 703 CD2 PHE A 63 1.794 -2.799 0.990 1.00 0.00 C ATOM 704 CE1 PHE A 63 4.049 -1.202 0.553 1.00 0.00 C ATOM 705 CE2 PHE A 63 2.594 -2.407 2.070 1.00 0.00 C ATOM 706 CZ PHE A 63 3.721 -1.608 1.851 1.00 0.00 C ATOM 0 H PHE A 63 3.847 -3.835 -1.567 1.00 0.00 H new ATOM 0 HA PHE A 63 1.373 -3.960 -3.284 1.00 0.00 H new ATOM 0 HB2 PHE A 63 0.684 -1.919 -1.825 1.00 0.00 H new ATOM 0 HB3 PHE A 63 0.477 -3.506 -1.110 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.498 -1.272 -1.529 1.00 0.00 H new ATOM 0 HD2 PHE A 63 0.925 -3.417 1.159 1.00 0.00 H new ATOM 0 HE1 PHE A 63 4.922 -0.589 0.384 1.00 0.00 H new ATOM 0 HE2 PHE A 63 2.341 -2.721 3.072 1.00 0.00 H new ATOM 0 HZ PHE A 63 4.338 -1.305 2.684 1.00 0.00 H new ATOM 716 N GLY A 64 2.000 -1.422 -3.998 1.00 0.00 N ATOM 717 CA GLY A 64 2.662 -0.374 -4.821 1.00 0.00 C ATOM 718 C GLY A 64 2.091 1.005 -4.488 1.00 0.00 C ATOM 719 O GLY A 64 1.046 1.384 -4.964 1.00 0.00 O ATOM 0 H GLY A 64 0.985 -1.352 -3.927 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.736 -0.384 -4.638 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.517 -0.589 -5.880 1.00 0.00 H new ATOM 723 N PHE A 65 2.787 1.770 -3.699 1.00 0.00 N ATOM 724 CA PHE A 65 2.291 3.130 -3.355 1.00 0.00 C ATOM 725 C PHE A 65 2.639 4.076 -4.493 1.00 0.00 C ATOM 726 O PHE A 65 3.720 4.027 -5.033 1.00 0.00 O ATOM 727 CB PHE A 65 3.067 3.514 -2.101 1.00 0.00 C ATOM 728 CG PHE A 65 2.331 3.036 -0.877 1.00 0.00 C ATOM 729 CD1 PHE A 65 1.078 3.572 -0.546 1.00 0.00 C ATOM 730 CD2 PHE A 65 2.910 2.057 -0.063 1.00 0.00 C ATOM 731 CE1 PHE A 65 0.412 3.125 0.599 1.00 0.00 C ATOM 732 CE2 PHE A 65 2.245 1.613 1.080 1.00 0.00 C ATOM 733 CZ PHE A 65 0.998 2.147 1.412 1.00 0.00 C ATOM 0 H PHE A 65 3.679 1.513 -3.276 1.00 0.00 H new ATOM 0 HA PHE A 65 1.213 3.170 -3.197 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.064 3.075 -2.131 1.00 0.00 H new ATOM 0 HB3 PHE A 65 3.196 4.596 -2.059 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.629 4.328 -1.174 1.00 0.00 H new ATOM 0 HD2 PHE A 65 3.874 1.644 -0.320 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.554 3.534 0.856 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.694 0.857 1.707 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.484 1.805 2.298 1.00 0.00 H new ATOM 743 N VAL A 66 1.731 4.914 -4.892 1.00 0.00 N ATOM 744 CA VAL A 66 2.042 5.818 -6.031 1.00 0.00 C ATOM 745 C VAL A 66 1.358 7.176 -5.861 1.00 0.00 C ATOM 746 O VAL A 66 0.164 7.312 -6.038 1.00 0.00 O ATOM 747 CB VAL A 66 1.502 5.076 -7.256 1.00 0.00 C ATOM 748 CG1 VAL A 66 2.132 5.660 -8.522 1.00 0.00 C ATOM 749 CG2 VAL A 66 1.855 3.583 -7.151 1.00 0.00 C ATOM 0 H VAL A 66 0.800 5.014 -4.488 1.00 0.00 H new ATOM 0 HA VAL A 66 3.107 6.035 -6.112 1.00 0.00 H new ATOM 0 HB VAL A 66 0.419 5.190 -7.301 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.749 5.133 -9.396 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.882 6.718 -8.598 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.215 5.546 -8.476 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.470 3.056 -8.024 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.938 3.467 -7.106 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.408 3.166 -6.249 1.00 0.00 H new ATOM 759 N THR A 67 2.113 8.188 -5.536 1.00 0.00 N ATOM 760 CA THR A 67 1.516 9.543 -5.372 1.00 0.00 C ATOM 761 C THR A 67 1.377 10.212 -6.741 1.00 0.00 C ATOM 762 O THR A 67 1.746 11.354 -6.928 1.00 0.00 O ATOM 763 CB THR A 67 2.508 10.310 -4.496 1.00 0.00 C ATOM 764 OG1 THR A 67 3.092 9.421 -3.554 1.00 0.00 O ATOM 765 CG2 THR A 67 1.779 11.432 -3.755 1.00 0.00 C ATOM 0 H THR A 67 3.119 8.135 -5.377 1.00 0.00 H new ATOM 0 HA THR A 67 0.523 9.513 -4.924 1.00 0.00 H new ATOM 0 HB THR A 67 3.288 10.740 -5.124 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.729 9.911 -2.993 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.488 11.977 -3.132 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.332 12.115 -4.478 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.997 11.005 -3.127 1.00 0.00 H new ATOM 773 N PHE A 68 0.853 9.501 -7.703 1.00 0.00 N ATOM 774 CA PHE A 68 0.697 10.081 -9.066 1.00 0.00 C ATOM 775 C PHE A 68 -0.453 11.095 -9.093 1.00 0.00 C ATOM 776 O PHE A 68 -1.408 10.944 -9.829 1.00 0.00 O ATOM 777 CB PHE A 68 0.397 8.880 -9.973 1.00 0.00 C ATOM 778 CG PHE A 68 -1.012 8.361 -9.751 1.00 0.00 C ATOM 779 CD1 PHE A 68 -1.729 8.686 -8.588 1.00 0.00 C ATOM 780 CD2 PHE A 68 -1.601 7.537 -10.721 1.00 0.00 C ATOM 781 CE1 PHE A 68 -3.026 8.191 -8.403 1.00 0.00 C ATOM 782 CE2 PHE A 68 -2.897 7.043 -10.531 1.00 0.00 C ATOM 783 CZ PHE A 68 -3.609 7.370 -9.374 1.00 0.00 C ATOM 0 H PHE A 68 0.526 8.540 -7.602 1.00 0.00 H new ATOM 0 HA PHE A 68 1.586 10.621 -9.390 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.520 9.170 -11.017 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.115 8.084 -9.776 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.280 9.318 -7.836 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.054 7.283 -11.617 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.577 8.444 -7.509 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.347 6.408 -11.280 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.609 6.989 -9.229 1.00 0.00 H new ATOM 793 N MET A 69 -0.369 12.124 -8.296 1.00 0.00 N ATOM 794 CA MET A 69 -1.457 13.143 -8.275 1.00 0.00 C ATOM 795 C MET A 69 -1.913 13.461 -9.702 1.00 0.00 C ATOM 796 O MET A 69 -1.131 13.868 -10.538 1.00 0.00 O ATOM 797 CB MET A 69 -0.834 14.377 -7.623 1.00 0.00 C ATOM 798 CG MET A 69 -1.862 15.042 -6.706 1.00 0.00 C ATOM 799 SD MET A 69 -1.727 16.841 -6.853 1.00 0.00 S ATOM 800 CE MET A 69 -3.474 17.172 -7.188 1.00 0.00 C ATOM 0 H MET A 69 0.406 12.304 -7.658 1.00 0.00 H new ATOM 0 HA MET A 69 -2.336 12.796 -7.732 1.00 0.00 H new ATOM 0 HB2 MET A 69 0.049 14.093 -7.051 1.00 0.00 H new ATOM 0 HB3 MET A 69 -0.505 15.080 -8.389 1.00 0.00 H new ATOM 0 HG2 MET A 69 -2.868 14.719 -6.975 1.00 0.00 H new ATOM 0 HG3 MET A 69 -1.695 14.737 -5.673 1.00 0.00 H new ATOM 0 HE1 MET A 69 -3.623 18.244 -7.316 1.00 0.00 H new ATOM 0 HE2 MET A 69 -3.775 16.653 -8.098 1.00 0.00 H new ATOM 0 HE3 MET A 69 -4.078 16.818 -6.352 1.00 0.00 H new ATOM 810 N ASP A 70 -3.172 13.276 -9.986 1.00 0.00 N ATOM 811 CA ASP A 70 -3.679 13.566 -11.358 1.00 0.00 C ATOM 812 C ASP A 70 -5.151 13.982 -11.299 1.00 0.00 C ATOM 813 O ASP A 70 -5.668 14.328 -10.256 1.00 0.00 O ATOM 814 CB ASP A 70 -3.521 12.252 -12.122 1.00 0.00 C ATOM 815 CG ASP A 70 -4.428 11.188 -11.501 1.00 0.00 C ATOM 816 OD1 ASP A 70 -4.314 10.964 -10.308 1.00 0.00 O ATOM 817 OD2 ASP A 70 -5.219 10.614 -12.230 1.00 0.00 O ATOM 0 H ASP A 70 -3.873 12.936 -9.327 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.138 14.383 -11.837 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.778 12.396 -13.171 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.482 11.923 -12.090 1.00 0.00 H new ATOM 822 N GLN A 71 -5.830 13.949 -12.414 1.00 0.00 N ATOM 823 CA GLN A 71 -7.269 14.339 -12.422 1.00 0.00 C ATOM 824 C GLN A 71 -8.128 13.172 -12.915 1.00 0.00 C ATOM 825 O GLN A 71 -8.597 12.364 -12.138 1.00 0.00 O ATOM 826 CB GLN A 71 -7.354 15.517 -13.392 1.00 0.00 C ATOM 827 CG GLN A 71 -7.466 16.821 -12.601 1.00 0.00 C ATOM 828 CD GLN A 71 -8.531 17.714 -13.236 1.00 0.00 C ATOM 829 OE1 GLN A 71 -8.281 18.867 -13.524 1.00 0.00 O ATOM 830 NE2 GLN A 71 -9.719 17.225 -13.469 1.00 0.00 N ATOM 0 H GLN A 71 -5.451 13.669 -13.319 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.633 14.603 -11.429 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.471 15.541 -14.030 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -8.217 15.401 -14.047 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -7.726 16.608 -11.564 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.505 17.335 -12.590 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.928 16.257 -13.227 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -10.438 17.811 -13.893 1.00 0.00 H new ATOM 839 N ALA A 72 -8.335 13.074 -14.200 1.00 0.00 N ATOM 840 CA ALA A 72 -9.160 11.954 -14.737 1.00 0.00 C ATOM 841 C ALA A 72 -8.405 10.631 -14.587 1.00 0.00 C ATOM 842 O ALA A 72 -8.992 9.566 -14.542 1.00 0.00 O ATOM 843 CB ALA A 72 -9.374 12.291 -16.212 1.00 0.00 C ATOM 0 H ALA A 72 -7.969 13.719 -14.900 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.106 11.842 -14.208 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -9.975 11.511 -16.680 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -9.891 13.247 -16.296 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.409 12.356 -16.714 1.00 0.00 H new ATOM 849 N GLY A 73 -7.104 10.692 -14.506 1.00 0.00 N ATOM 850 CA GLY A 73 -6.308 9.443 -14.356 1.00 0.00 C ATOM 851 C GLY A 73 -6.902 8.601 -13.225 1.00 0.00 C ATOM 852 O GLY A 73 -7.067 7.405 -13.351 1.00 0.00 O ATOM 0 H GLY A 73 -6.559 11.553 -14.537 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -6.316 8.878 -15.288 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -5.268 9.684 -14.138 1.00 0.00 H new ATOM 856 N VAL A 74 -7.227 9.219 -12.122 1.00 0.00 N ATOM 857 CA VAL A 74 -7.813 8.450 -10.987 1.00 0.00 C ATOM 858 C VAL A 74 -8.917 7.525 -11.501 1.00 0.00 C ATOM 859 O VAL A 74 -8.915 6.339 -11.246 1.00 0.00 O ATOM 860 CB VAL A 74 -8.390 9.504 -10.041 1.00 0.00 C ATOM 861 CG1 VAL A 74 -8.819 8.836 -8.734 1.00 0.00 C ATOM 862 CG2 VAL A 74 -7.322 10.560 -9.746 1.00 0.00 C ATOM 0 H VAL A 74 -7.113 10.219 -11.958 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.075 7.823 -10.487 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.254 9.978 -10.507 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -9.230 9.587 -8.059 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -9.577 8.082 -8.943 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.955 8.363 -8.267 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.731 11.313 -9.072 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.460 10.085 -9.279 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.014 11.036 -10.677 1.00 0.00 H new ATOM 872 N ASP A 75 -9.859 8.055 -12.232 1.00 0.00 N ATOM 873 CA ASP A 75 -10.952 7.195 -12.766 1.00 0.00 C ATOM 874 C ASP A 75 -10.352 6.020 -13.538 1.00 0.00 C ATOM 875 O ASP A 75 -10.693 4.871 -13.320 1.00 0.00 O ATOM 876 CB ASP A 75 -11.753 8.103 -13.701 1.00 0.00 C ATOM 877 CG ASP A 75 -13.228 7.701 -13.665 1.00 0.00 C ATOM 878 OD1 ASP A 75 -13.497 6.518 -13.532 1.00 0.00 O ATOM 879 OD2 ASP A 75 -14.065 8.583 -13.771 1.00 0.00 O ATOM 0 H ASP A 75 -9.919 9.042 -12.482 1.00 0.00 H new ATOM 0 HA ASP A 75 -11.579 6.777 -11.978 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.642 9.144 -13.397 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -11.369 8.025 -14.718 1.00 0.00 H new ATOM 884 N LYS A 76 -9.450 6.300 -14.434 1.00 0.00 N ATOM 885 CA LYS A 76 -8.816 5.205 -15.220 1.00 0.00 C ATOM 886 C LYS A 76 -8.182 4.185 -14.271 1.00 0.00 C ATOM 887 O LYS A 76 -8.192 2.996 -14.528 1.00 0.00 O ATOM 888 CB LYS A 76 -7.750 5.888 -16.076 1.00 0.00 C ATOM 889 CG LYS A 76 -8.407 6.953 -16.958 1.00 0.00 C ATOM 890 CD LYS A 76 -9.574 6.332 -17.729 1.00 0.00 C ATOM 891 CE LYS A 76 -10.897 6.830 -17.141 1.00 0.00 C ATOM 892 NZ LYS A 76 -11.932 5.903 -17.677 1.00 0.00 N ATOM 0 H LYS A 76 -9.123 7.240 -14.657 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.535 4.665 -15.836 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -6.994 6.345 -15.438 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -7.240 5.151 -16.696 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.763 7.780 -16.343 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.676 7.365 -17.654 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.510 6.598 -18.784 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.524 5.245 -17.671 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.876 6.811 -16.051 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.098 7.859 -17.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.867 6.181 -17.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.934 5.948 -18.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.719 4.932 -17.373 1.00 0.00 H new ATOM 906 N VAL A 77 -7.638 4.632 -13.170 1.00 0.00 N ATOM 907 CA VAL A 77 -7.021 3.684 -12.213 1.00 0.00 C ATOM 908 C VAL A 77 -8.073 2.676 -11.743 1.00 0.00 C ATOM 909 O VAL A 77 -7.914 1.483 -11.901 1.00 0.00 O ATOM 910 CB VAL A 77 -6.541 4.560 -11.062 1.00 0.00 C ATOM 911 CG1 VAL A 77 -5.879 3.690 -10.009 1.00 0.00 C ATOM 912 CG2 VAL A 77 -5.519 5.562 -11.590 1.00 0.00 C ATOM 0 H VAL A 77 -7.597 5.614 -12.897 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.203 3.107 -12.645 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.389 5.087 -10.625 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.535 4.315 -9.185 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.597 2.960 -9.636 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.029 3.169 -10.449 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.171 6.192 -10.772 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.673 5.026 -12.020 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.982 6.184 -12.356 1.00 0.00 H new ATOM 922 N LEU A 78 -9.158 3.148 -11.183 1.00 0.00 N ATOM 923 CA LEU A 78 -10.221 2.209 -10.731 1.00 0.00 C ATOM 924 C LEU A 78 -10.461 1.166 -11.820 1.00 0.00 C ATOM 925 O LEU A 78 -10.613 -0.007 -11.546 1.00 0.00 O ATOM 926 CB LEU A 78 -11.465 3.076 -10.531 1.00 0.00 C ATOM 927 CG LEU A 78 -11.218 4.074 -9.399 1.00 0.00 C ATOM 928 CD1 LEU A 78 -10.981 5.465 -9.989 1.00 0.00 C ATOM 929 CD2 LEU A 78 -12.441 4.113 -8.480 1.00 0.00 C ATOM 0 H LEU A 78 -9.350 4.137 -11.021 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.956 1.678 -9.817 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -11.702 3.607 -11.453 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.324 2.448 -10.295 1.00 0.00 H new ATOM 0 HG LEU A 78 -10.342 3.767 -8.828 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.805 6.177 -9.183 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -10.112 5.438 -10.646 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -11.857 5.772 -10.559 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -12.267 4.824 -7.672 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -13.316 4.421 -9.052 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -12.612 3.122 -8.060 1.00 0.00 H new ATOM 941 N ALA A 79 -10.482 1.582 -13.058 1.00 0.00 N ATOM 942 CA ALA A 79 -10.692 0.606 -14.158 1.00 0.00 C ATOM 943 C ALA A 79 -9.793 -0.611 -13.932 1.00 0.00 C ATOM 944 O ALA A 79 -10.101 -1.713 -14.340 1.00 0.00 O ATOM 945 CB ALA A 79 -10.287 1.346 -15.433 1.00 0.00 C ATOM 0 H ALA A 79 -10.363 2.552 -13.351 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.720 0.249 -14.214 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.415 0.688 -16.292 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.914 2.229 -15.556 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.243 1.650 -15.361 1.00 0.00 H new ATOM 951 N GLN A 80 -8.682 -0.412 -13.273 1.00 0.00 N ATOM 952 CA GLN A 80 -7.751 -1.545 -13.001 1.00 0.00 C ATOM 953 C GLN A 80 -7.917 -2.010 -11.564 1.00 0.00 C ATOM 954 O GLN A 80 -7.027 -2.595 -10.980 1.00 0.00 O ATOM 955 CB GLN A 80 -6.348 -0.985 -13.237 1.00 0.00 C ATOM 956 CG GLN A 80 -6.336 -0.153 -14.521 1.00 0.00 C ATOM 957 CD GLN A 80 -6.530 -1.074 -15.726 1.00 0.00 C ATOM 958 OE1 GLN A 80 -7.607 -1.592 -15.942 1.00 0.00 O ATOM 959 NE2 GLN A 80 -5.524 -1.299 -16.527 1.00 0.00 N ATOM 0 H GLN A 80 -8.378 0.492 -12.910 1.00 0.00 H new ATOM 0 HA GLN A 80 -7.944 -2.406 -13.641 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -6.044 -0.370 -12.390 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -5.628 -1.800 -13.313 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -7.128 0.595 -14.490 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -5.393 0.386 -14.609 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -4.620 -0.864 -16.345 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -5.642 -1.910 -17.335 1.00 0.00 H new ATOM 968 N SER A 81 -9.065 -1.778 -11.000 1.00 0.00 N ATOM 969 CA SER A 81 -9.309 -2.233 -9.616 1.00 0.00 C ATOM 970 C SER A 81 -9.069 -3.741 -9.548 1.00 0.00 C ATOM 971 O SER A 81 -8.899 -4.309 -8.487 1.00 0.00 O ATOM 972 CB SER A 81 -10.769 -1.888 -9.346 1.00 0.00 C ATOM 973 OG SER A 81 -11.574 -2.388 -10.407 1.00 0.00 O ATOM 0 H SER A 81 -9.845 -1.291 -11.442 1.00 0.00 H new ATOM 0 HA SER A 81 -8.654 -1.767 -8.879 1.00 0.00 H new ATOM 0 HB2 SER A 81 -11.087 -2.321 -8.398 1.00 0.00 H new ATOM 0 HB3 SER A 81 -10.890 -0.808 -9.260 1.00 0.00 H new ATOM 0 HG SER A 81 -11.656 -1.705 -11.105 1.00 0.00 H new ATOM 979 N ARG A 82 -9.039 -4.387 -10.684 1.00 0.00 N ATOM 980 CA ARG A 82 -8.794 -5.847 -10.708 1.00 0.00 C ATOM 981 C ARG A 82 -7.315 -6.120 -10.998 1.00 0.00 C ATOM 982 O ARG A 82 -6.854 -7.237 -10.889 1.00 0.00 O ATOM 983 CB ARG A 82 -9.674 -6.387 -11.837 1.00 0.00 C ATOM 984 CG ARG A 82 -9.301 -5.703 -13.152 1.00 0.00 C ATOM 985 CD ARG A 82 -8.998 -6.766 -14.212 1.00 0.00 C ATOM 986 NE ARG A 82 -9.964 -6.497 -15.314 1.00 0.00 N ATOM 987 CZ ARG A 82 -10.308 -7.455 -16.130 1.00 0.00 C ATOM 988 NH1 ARG A 82 -9.482 -8.436 -16.374 1.00 0.00 N ATOM 989 NH2 ARG A 82 -11.479 -7.432 -16.706 1.00 0.00 N ATOM 0 H ARG A 82 -9.175 -3.957 -11.599 1.00 0.00 H new ATOM 0 HA ARG A 82 -9.029 -6.322 -9.756 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -9.545 -7.466 -11.927 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -10.725 -6.210 -11.609 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -10.118 -5.063 -13.486 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -8.432 -5.061 -13.007 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -7.969 -6.692 -14.563 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -9.127 -7.771 -13.811 1.00 0.00 H new ATOM 0 HE ARG A 82 -10.357 -5.563 -15.431 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -8.566 -8.454 -15.926 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -9.753 -9.184 -17.012 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -12.125 -6.665 -16.518 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -11.748 -8.181 -17.344 1.00 0.00 H new ATOM 1003 N HIS A 83 -6.582 -5.089 -11.359 1.00 0.00 N ATOM 1004 CA HIS A 83 -5.125 -5.220 -11.666 1.00 0.00 C ATOM 1005 C HIS A 83 -4.707 -6.651 -11.979 1.00 0.00 C ATOM 1006 O HIS A 83 -3.732 -7.133 -11.451 1.00 0.00 O ATOM 1007 CB HIS A 83 -4.418 -4.761 -10.405 1.00 0.00 C ATOM 1008 CG HIS A 83 -3.361 -3.758 -10.766 1.00 0.00 C ATOM 1009 ND1 HIS A 83 -2.125 -4.120 -11.277 1.00 0.00 N ATOM 1010 CD2 HIS A 83 -3.347 -2.401 -10.680 1.00 0.00 C ATOM 1011 CE1 HIS A 83 -1.424 -2.990 -11.476 1.00 0.00 C ATOM 1012 NE2 HIS A 83 -2.125 -1.909 -11.125 1.00 0.00 N ATOM 0 H HIS A 83 -6.946 -4.141 -11.455 1.00 0.00 H new ATOM 0 HA HIS A 83 -4.876 -4.635 -12.551 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -5.135 -4.318 -9.713 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -3.968 -5.613 -9.896 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -4.165 -1.795 -10.319 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -0.419 -2.960 -11.871 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -1.828 -0.934 -11.173 1.00 0.00 H new ATOM 1020 N GLU A 84 -5.402 -7.333 -12.836 1.00 0.00 N ATOM 1021 CA GLU A 84 -4.971 -8.717 -13.156 1.00 0.00 C ATOM 1022 C GLU A 84 -4.041 -8.685 -14.360 1.00 0.00 C ATOM 1023 O GLU A 84 -4.361 -8.146 -15.399 1.00 0.00 O ATOM 1024 CB GLU A 84 -6.237 -9.508 -13.456 1.00 0.00 C ATOM 1025 CG GLU A 84 -6.029 -10.936 -12.959 1.00 0.00 C ATOM 1026 CD GLU A 84 -6.526 -11.927 -14.013 1.00 0.00 C ATOM 1027 OE1 GLU A 84 -5.976 -11.929 -15.102 1.00 0.00 O ATOM 1028 OE2 GLU A 84 -7.447 -12.671 -13.713 1.00 0.00 O ATOM 0 H GLU A 84 -6.235 -7.002 -13.322 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.427 -9.179 -12.333 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.096 -9.054 -12.962 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.445 -9.503 -14.526 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.973 -11.109 -12.753 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.566 -11.087 -12.022 1.00 0.00 H new ATOM 1035 N LEU A 85 -2.880 -9.246 -14.213 1.00 0.00 N ATOM 1036 CA LEU A 85 -1.906 -9.244 -15.328 1.00 0.00 C ATOM 1037 C LEU A 85 -1.104 -10.544 -15.312 1.00 0.00 C ATOM 1038 O LEU A 85 -1.508 -11.536 -15.885 1.00 0.00 O ATOM 1039 CB LEU A 85 -1.001 -8.023 -15.085 1.00 0.00 C ATOM 1040 CG LEU A 85 -0.777 -7.812 -13.578 1.00 0.00 C ATOM 1041 CD1 LEU A 85 0.650 -7.320 -13.336 1.00 0.00 C ATOM 1042 CD2 LEU A 85 -1.766 -6.767 -13.044 1.00 0.00 C ATOM 0 H LEU A 85 -2.562 -9.709 -13.362 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.388 -9.181 -16.304 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.043 -8.167 -15.585 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.456 -7.133 -15.519 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.934 -8.758 -13.060 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.807 -7.171 -12.268 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.358 -8.061 -13.707 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.804 -6.377 -13.860 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.602 -6.623 -11.976 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.614 -5.822 -13.566 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.786 -7.113 -13.210 1.00 0.00 H new ATOM 1054 N ASP A 86 0.015 -10.561 -14.645 1.00 0.00 N ATOM 1055 CA ASP A 86 0.811 -11.801 -14.576 1.00 0.00 C ATOM 1056 C ASP A 86 0.197 -12.720 -13.523 1.00 0.00 C ATOM 1057 O ASP A 86 0.865 -13.178 -12.619 1.00 0.00 O ATOM 1058 CB ASP A 86 2.214 -11.356 -14.157 1.00 0.00 C ATOM 1059 CG ASP A 86 3.069 -11.112 -15.401 1.00 0.00 C ATOM 1060 OD1 ASP A 86 2.726 -11.640 -16.445 1.00 0.00 O ATOM 1061 OD2 ASP A 86 4.055 -10.400 -15.288 1.00 0.00 O ATOM 0 H ASP A 86 0.408 -9.763 -14.145 1.00 0.00 H new ATOM 0 HA ASP A 86 0.837 -12.346 -15.520 1.00 0.00 H new ATOM 0 HB2 ASP A 86 2.154 -10.446 -13.560 1.00 0.00 H new ATOM 0 HB3 ASP A 86 2.676 -12.119 -13.530 1.00 0.00 H new ATOM 1066 N SER A 87 -1.084 -12.978 -13.630 1.00 0.00 N ATOM 1067 CA SER A 87 -1.765 -13.851 -12.631 1.00 0.00 C ATOM 1068 C SER A 87 -1.907 -13.106 -11.300 1.00 0.00 C ATOM 1069 O SER A 87 -2.267 -13.678 -10.290 1.00 0.00 O ATOM 1070 CB SER A 87 -0.853 -15.065 -12.476 1.00 0.00 C ATOM 1071 OG SER A 87 -1.610 -16.251 -12.675 1.00 0.00 O ATOM 0 H SER A 87 -1.687 -12.619 -14.370 1.00 0.00 H new ATOM 0 HA SER A 87 -2.768 -14.139 -12.945 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.037 -15.016 -13.197 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.401 -15.070 -11.484 1.00 0.00 H new ATOM 0 HG SER A 87 -1.026 -17.032 -12.578 1.00 0.00 H new ATOM 1077 N LYS A 88 -1.619 -11.832 -11.294 1.00 0.00 N ATOM 1078 CA LYS A 88 -1.721 -11.040 -10.048 1.00 0.00 C ATOM 1079 C LYS A 88 -2.876 -10.052 -10.163 1.00 0.00 C ATOM 1080 O LYS A 88 -2.884 -9.213 -11.036 1.00 0.00 O ATOM 1081 CB LYS A 88 -0.401 -10.265 -9.932 1.00 0.00 C ATOM 1082 CG LYS A 88 0.714 -10.971 -10.702 1.00 0.00 C ATOM 1083 CD LYS A 88 0.945 -12.361 -10.107 1.00 0.00 C ATOM 1084 CE LYS A 88 2.409 -12.763 -10.296 1.00 0.00 C ATOM 1085 NZ LYS A 88 2.467 -14.198 -9.899 1.00 0.00 N ATOM 0 H LYS A 88 -1.314 -11.306 -12.113 1.00 0.00 H new ATOM 0 HA LYS A 88 -1.897 -11.676 -9.181 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -0.532 -9.255 -10.319 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -0.121 -10.171 -8.883 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.446 -11.055 -11.755 1.00 0.00 H new ATOM 0 HG3 LYS A 88 1.632 -10.385 -10.652 1.00 0.00 H new ATOM 0 HD2 LYS A 88 0.691 -12.361 -9.047 1.00 0.00 H new ATOM 0 HD3 LYS A 88 0.292 -13.088 -10.591 1.00 0.00 H new ATOM 0 HE2 LYS A 88 2.726 -12.626 -11.330 1.00 0.00 H new ATOM 0 HE3 LYS A 88 3.069 -12.155 -9.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 3.441 -14.547 -10.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 2.166 -14.297 -8.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 1.834 -14.753 -10.510 1.00 0.00 H new ATOM 1099 N THR A 89 -3.840 -10.134 -9.287 1.00 0.00 N ATOM 1100 CA THR A 89 -4.987 -9.180 -9.350 1.00 0.00 C ATOM 1101 C THR A 89 -4.812 -8.091 -8.289 1.00 0.00 C ATOM 1102 O THR A 89 -5.538 -8.037 -7.316 1.00 0.00 O ATOM 1103 CB THR A 89 -6.223 -10.026 -9.049 1.00 0.00 C ATOM 1104 OG1 THR A 89 -7.389 -9.227 -9.204 1.00 0.00 O ATOM 1105 CG2 THR A 89 -6.147 -10.548 -7.613 1.00 0.00 C ATOM 0 H THR A 89 -3.884 -10.818 -8.532 1.00 0.00 H new ATOM 0 HA THR A 89 -5.063 -8.681 -10.316 1.00 0.00 H new ATOM 0 HB THR A 89 -6.265 -10.870 -9.738 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.188 -8.463 -9.784 1.00 0.00 H new ATOM 0 HG21 THR A 89 -7.029 -11.152 -7.398 1.00 0.00 H new ATOM 0 HG22 THR A 89 -5.252 -11.158 -7.495 1.00 0.00 H new ATOM 0 HG23 THR A 89 -6.106 -9.706 -6.922 1.00 0.00 H new ATOM 1113 N ILE A 90 -3.846 -7.230 -8.466 1.00 0.00 N ATOM 1114 CA ILE A 90 -3.626 -6.150 -7.458 1.00 0.00 C ATOM 1115 C ILE A 90 -4.953 -5.442 -7.174 1.00 0.00 C ATOM 1116 O ILE A 90 -5.983 -5.793 -7.711 1.00 0.00 O ATOM 1117 CB ILE A 90 -2.606 -5.148 -8.042 1.00 0.00 C ATOM 1118 CG1 ILE A 90 -1.648 -5.837 -9.035 1.00 0.00 C ATOM 1119 CG2 ILE A 90 -1.790 -4.557 -6.895 1.00 0.00 C ATOM 1120 CD1 ILE A 90 -0.462 -4.917 -9.349 1.00 0.00 C ATOM 0 H ILE A 90 -3.204 -7.226 -9.258 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.246 -6.567 -6.526 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.151 -4.369 -8.576 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.288 -6.776 -8.613 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -2.180 -6.084 -9.954 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.065 -3.847 -7.293 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.456 -4.045 -6.201 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.266 -5.357 -6.372 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.208 -5.414 -10.051 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.828 -3.990 -9.790 1.00 0.00 H new ATOM 0 HD13 ILE A 90 0.078 -4.693 -8.429 1.00 0.00 H new ATOM 1132 N ASP A 91 -4.937 -4.454 -6.329 1.00 0.00 N ATOM 1133 CA ASP A 91 -6.185 -3.732 -5.995 1.00 0.00 C ATOM 1134 C ASP A 91 -5.897 -2.239 -5.852 1.00 0.00 C ATOM 1135 O ASP A 91 -5.738 -1.747 -4.752 1.00 0.00 O ATOM 1136 CB ASP A 91 -6.582 -4.318 -4.651 1.00 0.00 C ATOM 1137 CG ASP A 91 -8.090 -4.164 -4.437 1.00 0.00 C ATOM 1138 OD1 ASP A 91 -8.684 -3.344 -5.117 1.00 0.00 O ATOM 1139 OD2 ASP A 91 -8.624 -4.870 -3.598 1.00 0.00 O ATOM 0 H ASP A 91 -4.102 -4.114 -5.852 1.00 0.00 H new ATOM 0 HA ASP A 91 -6.961 -3.837 -6.753 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -6.306 -5.372 -4.609 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -6.040 -3.814 -3.851 1.00 0.00 H new ATOM 1144 N PRO A 92 -5.828 -1.559 -6.962 1.00 0.00 N ATOM 1145 CA PRO A 92 -5.543 -0.110 -6.939 1.00 0.00 C ATOM 1146 C PRO A 92 -6.519 0.632 -6.030 1.00 0.00 C ATOM 1147 O PRO A 92 -7.690 0.757 -6.325 1.00 0.00 O ATOM 1148 CB PRO A 92 -5.765 0.300 -8.392 1.00 0.00 C ATOM 1149 CG PRO A 92 -6.191 -0.944 -9.193 1.00 0.00 C ATOM 1150 CD PRO A 92 -6.030 -2.180 -8.296 1.00 0.00 C ATOM 0 HA PRO A 92 -4.547 0.120 -6.560 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -6.533 1.071 -8.454 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.852 0.724 -8.809 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.226 -0.847 -9.522 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -5.580 -1.045 -10.090 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -6.911 -2.821 -8.320 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -5.181 -2.795 -8.594 1.00 0.00 H new ATOM 1158 N LYS A 93 -6.031 1.158 -4.949 1.00 0.00 N ATOM 1159 CA LYS A 93 -6.912 1.937 -4.037 1.00 0.00 C ATOM 1160 C LYS A 93 -6.267 3.293 -3.768 1.00 0.00 C ATOM 1161 O LYS A 93 -5.304 3.412 -3.040 1.00 0.00 O ATOM 1162 CB LYS A 93 -7.058 1.130 -2.746 1.00 0.00 C ATOM 1163 CG LYS A 93 -5.689 0.710 -2.205 1.00 0.00 C ATOM 1164 CD LYS A 93 -5.292 1.623 -1.043 1.00 0.00 C ATOM 1165 CE LYS A 93 -5.780 1.015 0.274 1.00 0.00 C ATOM 1166 NZ LYS A 93 -6.266 2.171 1.076 1.00 0.00 N ATOM 0 H LYS A 93 -5.057 1.084 -4.654 1.00 0.00 H new ATOM 0 HA LYS A 93 -7.896 2.111 -4.473 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -7.582 1.725 -1.998 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.667 0.245 -2.933 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.722 -0.327 -1.871 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -4.942 0.766 -2.996 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -4.210 1.749 -1.019 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -5.725 2.614 -1.181 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -6.576 0.291 0.103 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.975 0.489 0.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -6.617 1.833 1.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -5.485 2.840 1.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -7.036 2.648 0.566 1.00 0.00 H new ATOM 1180 N VAL A 94 -6.792 4.308 -4.379 1.00 0.00 N ATOM 1181 CA VAL A 94 -6.224 5.673 -4.203 1.00 0.00 C ATOM 1182 C VAL A 94 -7.005 6.431 -3.122 1.00 0.00 C ATOM 1183 O VAL A 94 -7.873 5.881 -2.476 1.00 0.00 O ATOM 1184 CB VAL A 94 -6.391 6.329 -5.577 1.00 0.00 C ATOM 1185 CG1 VAL A 94 -5.550 7.605 -5.655 1.00 0.00 C ATOM 1186 CG2 VAL A 94 -5.926 5.352 -6.662 1.00 0.00 C ATOM 0 H VAL A 94 -7.599 4.255 -5.000 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.183 5.667 -3.880 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.440 6.582 -5.728 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -5.675 8.064 -6.636 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.875 8.303 -4.883 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.499 7.358 -5.502 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.043 5.814 -7.642 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.877 5.102 -6.501 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.527 4.444 -6.615 1.00 0.00 H new ATOM 1196 N ALA A 95 -6.704 7.688 -2.920 1.00 0.00 N ATOM 1197 CA ALA A 95 -7.430 8.478 -1.882 1.00 0.00 C ATOM 1198 C ALA A 95 -7.019 8.023 -0.480 1.00 0.00 C ATOM 1199 O ALA A 95 -6.524 6.928 -0.291 1.00 0.00 O ATOM 1200 CB ALA A 95 -8.914 8.196 -2.120 1.00 0.00 C ATOM 0 H ALA A 95 -5.986 8.202 -3.430 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.203 9.542 -1.951 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -9.510 8.745 -1.391 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -9.188 8.513 -3.126 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -9.103 7.128 -2.012 1.00 0.00 H new ATOM 1206 N PHE A 96 -7.222 8.854 0.504 1.00 0.00 N ATOM 1207 CA PHE A 96 -6.847 8.472 1.895 1.00 0.00 C ATOM 1208 C PHE A 96 -8.106 8.320 2.757 1.00 0.00 C ATOM 1209 O PHE A 96 -9.160 8.808 2.398 1.00 0.00 O ATOM 1210 CB PHE A 96 -5.986 9.629 2.402 1.00 0.00 C ATOM 1211 CG PHE A 96 -6.674 10.938 2.096 1.00 0.00 C ATOM 1212 CD1 PHE A 96 -7.633 11.448 2.979 1.00 0.00 C ATOM 1213 CD2 PHE A 96 -6.353 11.641 0.928 1.00 0.00 C ATOM 1214 CE1 PHE A 96 -8.272 12.661 2.695 1.00 0.00 C ATOM 1215 CE2 PHE A 96 -6.992 12.854 0.644 1.00 0.00 C ATOM 1216 CZ PHE A 96 -7.951 13.364 1.527 1.00 0.00 C ATOM 0 H PHE A 96 -7.632 9.783 0.405 1.00 0.00 H new ATOM 0 HA PHE A 96 -6.317 7.521 1.936 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -5.824 9.533 3.476 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -5.005 9.602 1.928 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -7.880 10.906 3.880 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -5.613 11.248 0.247 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -9.012 13.054 3.376 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -6.745 13.396 -0.257 1.00 0.00 H new ATOM 0 HZ PHE A 96 -8.443 14.300 1.308 1.00 0.00 H new TER 1226 PHE A 96