USER MOD reduce.3.24.130724 H: found=0, std=0, add=448, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 448 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -44:sc= 0.549 USER MOD Single : A 7 THR OG1 : rot 17:sc= 0.516 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -103:sc= -0.79 (180deg=-2.15!) USER MOD Single : A 13 ASN : amide:sc= -0.317 X(o=-0.32,f=-0.015) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -1.72! C(o=-1.7!,f=-4.6!) USER MOD Single : A 28 SER OG : rot -97:sc= 1.23 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -145:sc= -0.751 (180deg=-2.64!) USER MOD Single : A 33 GLN : amide:sc= 0.0555 X(o=0.056,f=0) USER MOD Single : A 34 ASN : amide:sc= -0.187 K(o=-0.19,f=-0.94) USER MOD Single : A 37 THR OG1 : rot 41:sc= -0.134 USER MOD Single : A 39 HIS : no HD1:sc= 0.938 K(o=0.94,f=-5.6!) USER MOD Single : A 48 THR OG1 : rot 66:sc= 0.517 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 ASN : amide:sc= -0.0402 X(o=-0.04,f=-0.04) USER MOD Single : A 66 SER OG : rot 118:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.183 4.054 -13.991 1.00 0.00 N ATOM 2 CA GLY A 1 2.715 3.583 -15.306 1.00 0.00 C ATOM 3 C GLY A 1 1.713 4.535 -15.924 1.00 0.00 C ATOM 4 O GLY A 1 1.936 5.746 -15.960 1.00 0.00 O ATOM 0 H1 GLY A 1 3.867 3.374 -13.602 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.639 4.982 -14.097 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.373 4.138 -13.344 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.568 3.469 -15.975 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.261 2.598 -15.198 1.00 0.00 H new ATOM 10 N SER A 2 0.598 3.994 -16.382 1.00 0.00 N ATOM 11 CA SER A 2 -0.429 4.788 -17.034 1.00 0.00 C ATOM 12 C SER A 2 -1.597 5.061 -16.077 1.00 0.00 C ATOM 13 O SER A 2 -2.756 5.147 -16.495 1.00 0.00 O ATOM 14 CB SER A 2 -0.917 4.059 -18.299 1.00 0.00 C ATOM 15 OG SER A 2 -1.830 4.854 -19.048 1.00 0.00 O ATOM 0 H SER A 2 0.380 3.000 -16.314 1.00 0.00 H new ATOM 0 HA SER A 2 -0.005 5.750 -17.321 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.061 3.802 -18.924 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.398 3.122 -18.016 1.00 0.00 H new ATOM 0 HG SER A 2 -2.472 5.276 -18.439 1.00 0.00 H new ATOM 21 N ALA A 3 -1.283 5.224 -14.804 1.00 0.00 N ATOM 22 CA ALA A 3 -2.293 5.488 -13.802 1.00 0.00 C ATOM 23 C ALA A 3 -1.827 6.588 -12.861 1.00 0.00 C ATOM 24 O ALA A 3 -0.727 7.115 -13.014 1.00 0.00 O ATOM 25 CB ALA A 3 -2.616 4.219 -13.029 1.00 0.00 C ATOM 0 H ALA A 3 -0.331 5.177 -14.441 1.00 0.00 H new ATOM 0 HA ALA A 3 -3.202 5.825 -14.301 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -3.377 4.434 -12.279 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.988 3.459 -13.716 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.715 3.853 -12.537 1.00 0.00 H new ATOM 31 N LEU A 4 -2.662 6.929 -11.896 1.00 0.00 N ATOM 32 CA LEU A 4 -2.323 7.973 -10.933 1.00 0.00 C ATOM 33 C LEU A 4 -1.303 7.467 -9.920 1.00 0.00 C ATOM 34 O LEU A 4 -0.439 8.217 -9.469 1.00 0.00 O ATOM 35 CB LEU A 4 -3.576 8.491 -10.201 1.00 0.00 C ATOM 36 CG LEU A 4 -4.189 7.567 -9.131 1.00 0.00 C ATOM 37 CD1 LEU A 4 -5.193 8.333 -8.295 1.00 0.00 C ATOM 38 CD2 LEU A 4 -4.853 6.352 -9.765 1.00 0.00 C ATOM 0 H LEU A 4 -3.578 6.503 -11.755 1.00 0.00 H new ATOM 0 HA LEU A 4 -1.885 8.800 -11.492 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -3.324 9.439 -9.726 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -4.342 8.701 -10.947 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.383 7.213 -8.488 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.620 7.671 -7.542 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.695 9.168 -7.803 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.988 8.712 -8.938 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.276 5.720 -8.984 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.647 6.680 -10.436 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.112 5.785 -10.329 1.00 0.00 H new ATOM 50 N ASP A 5 -1.398 6.197 -9.580 1.00 0.00 N ATOM 51 CA ASP A 5 -0.467 5.592 -8.652 1.00 0.00 C ATOM 52 C ASP A 5 0.050 4.299 -9.242 1.00 0.00 C ATOM 53 O ASP A 5 -0.722 3.505 -9.782 1.00 0.00 O ATOM 54 CB ASP A 5 -1.148 5.311 -7.302 1.00 0.00 C ATOM 55 CG ASP A 5 -0.159 5.044 -6.186 1.00 0.00 C ATOM 56 OD1 ASP A 5 1.008 4.713 -6.482 1.00 0.00 O ATOM 57 OD2 ASP A 5 -0.555 5.141 -4.995 1.00 0.00 O ATOM 0 H ASP A 5 -2.114 5.563 -9.935 1.00 0.00 H new ATOM 0 HA ASP A 5 0.360 6.281 -8.481 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -1.772 6.163 -7.031 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -1.810 4.452 -7.407 1.00 0.00 H new ATOM 62 N PHE A 6 1.345 4.098 -9.162 1.00 0.00 N ATOM 63 CA PHE A 6 1.965 2.891 -9.676 1.00 0.00 C ATOM 64 C PHE A 6 2.209 1.921 -8.532 1.00 0.00 C ATOM 65 O PHE A 6 2.544 0.752 -8.741 1.00 0.00 O ATOM 66 CB PHE A 6 3.291 3.218 -10.391 1.00 0.00 C ATOM 67 CG PHE A 6 4.411 3.661 -9.477 1.00 0.00 C ATOM 68 CD1 PHE A 6 4.356 4.879 -8.813 1.00 0.00 C ATOM 69 CD2 PHE A 6 5.518 2.850 -9.282 1.00 0.00 C ATOM 70 CE1 PHE A 6 5.381 5.275 -7.975 1.00 0.00 C ATOM 71 CE2 PHE A 6 6.546 3.242 -8.446 1.00 0.00 C ATOM 72 CZ PHE A 6 6.476 4.455 -7.791 1.00 0.00 C ATOM 0 H PHE A 6 1.998 4.760 -8.742 1.00 0.00 H new ATOM 0 HA PHE A 6 1.294 2.433 -10.403 1.00 0.00 H new ATOM 0 HB2 PHE A 6 3.618 2.336 -10.942 1.00 0.00 H new ATOM 0 HB3 PHE A 6 3.108 4.003 -11.125 1.00 0.00 H new ATOM 0 HD1 PHE A 6 3.502 5.525 -8.953 1.00 0.00 H new ATOM 0 HD2 PHE A 6 5.578 1.899 -9.790 1.00 0.00 H new ATOM 0 HE1 PHE A 6 5.325 6.225 -7.465 1.00 0.00 H new ATOM 0 HE2 PHE A 6 7.403 2.600 -8.305 1.00 0.00 H new ATOM 0 HZ PHE A 6 7.277 4.762 -7.135 1.00 0.00 H new ATOM 82 N THR A 7 2.029 2.423 -7.330 1.00 0.00 N ATOM 83 CA THR A 7 2.228 1.665 -6.125 1.00 0.00 C ATOM 84 C THR A 7 0.961 1.659 -5.283 1.00 0.00 C ATOM 85 O THR A 7 -0.024 2.292 -5.626 1.00 0.00 O ATOM 86 CB THR A 7 3.378 2.259 -5.293 1.00 0.00 C ATOM 87 OG1 THR A 7 3.289 3.695 -5.302 1.00 0.00 O ATOM 88 CG2 THR A 7 4.728 1.819 -5.833 1.00 0.00 C ATOM 0 H THR A 7 1.735 3.386 -7.165 1.00 0.00 H new ATOM 0 HA THR A 7 2.479 0.644 -6.412 1.00 0.00 H new ATOM 0 HB THR A 7 3.288 1.894 -4.270 1.00 0.00 H new ATOM 0 HG1 THR A 7 2.392 3.965 -5.590 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.522 2.254 -5.226 1.00 0.00 H new ATOM 0 HG22 THR A 7 4.798 0.732 -5.797 1.00 0.00 H new ATOM 0 HG23 THR A 7 4.835 2.155 -6.864 1.00 0.00 H new ATOM 96 N SER A 8 0.957 0.885 -4.243 1.00 0.00 N ATOM 97 CA SER A 8 -0.143 0.894 -3.312 1.00 0.00 C ATOM 98 C SER A 8 -0.051 2.058 -2.300 1.00 0.00 C ATOM 99 O SER A 8 -1.058 2.456 -1.729 1.00 0.00 O ATOM 100 CB SER A 8 -0.210 -0.441 -2.580 1.00 0.00 C ATOM 101 OG SER A 8 -0.243 -1.515 -3.508 1.00 0.00 O ATOM 0 H SER A 8 1.706 0.232 -4.011 1.00 0.00 H new ATOM 0 HA SER A 8 -1.057 1.045 -3.886 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.654 -0.546 -1.923 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.097 -0.472 -1.947 1.00 0.00 H new ATOM 0 HG SER A 8 -0.284 -2.365 -3.023 1.00 0.00 H new ATOM 107 N CYS A 9 1.156 2.592 -2.063 1.00 0.00 N ATOM 108 CA CYS A 9 1.314 3.627 -1.030 1.00 0.00 C ATOM 109 C CYS A 9 1.699 5.029 -1.523 1.00 0.00 C ATOM 110 O CYS A 9 2.068 5.872 -0.705 1.00 0.00 O ATOM 111 CB CYS A 9 2.314 3.172 0.020 1.00 0.00 C ATOM 112 SG CYS A 9 1.673 1.924 1.174 1.00 0.00 S ATOM 0 H CYS A 9 2.012 2.335 -2.554 1.00 0.00 H new ATOM 0 HA CYS A 9 0.313 3.739 -0.614 1.00 0.00 H new ATOM 0 HB2 CYS A 9 3.192 2.767 -0.483 1.00 0.00 H new ATOM 0 HB3 CYS A 9 2.645 4.040 0.590 1.00 0.00 H new ATOM 117 N ALA A 10 1.604 5.318 -2.808 1.00 0.00 N ATOM 118 CA ALA A 10 1.966 6.668 -3.263 1.00 0.00 C ATOM 119 C ALA A 10 0.904 7.693 -2.859 1.00 0.00 C ATOM 120 O ALA A 10 1.189 8.898 -2.756 1.00 0.00 O ATOM 121 CB ALA A 10 2.235 6.705 -4.747 1.00 0.00 C ATOM 0 H ALA A 10 1.294 4.674 -3.536 1.00 0.00 H new ATOM 0 HA ALA A 10 2.895 6.941 -2.763 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.499 7.720 -5.044 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.059 6.032 -4.984 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.342 6.390 -5.287 1.00 0.00 H new ATOM 127 N ARG A 11 -0.312 7.204 -2.576 1.00 0.00 N ATOM 128 CA ARG A 11 -1.403 8.054 -2.103 1.00 0.00 C ATOM 129 C ARG A 11 -1.061 8.671 -0.753 1.00 0.00 C ATOM 130 O ARG A 11 -1.772 9.534 -0.270 1.00 0.00 O ATOM 131 CB ARG A 11 -2.754 7.308 -2.032 1.00 0.00 C ATOM 132 CG ARG A 11 -2.677 5.924 -1.436 1.00 0.00 C ATOM 133 CD ARG A 11 -2.565 4.866 -2.510 1.00 0.00 C ATOM 134 NE ARG A 11 -3.822 4.649 -3.220 1.00 0.00 N ATOM 135 CZ ARG A 11 -3.930 3.910 -4.324 1.00 0.00 C ATOM 136 NH1 ARG A 11 -2.842 3.459 -4.933 1.00 0.00 N ATOM 137 NH2 ARG A 11 -5.121 3.661 -4.846 1.00 0.00 N ATOM 0 H ARG A 11 -0.561 6.219 -2.669 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.519 8.850 -2.838 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.453 7.904 -1.445 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.166 7.234 -3.038 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.817 5.861 -0.770 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.564 5.737 -0.830 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.795 5.159 -3.224 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -2.241 3.928 -2.058 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.665 5.088 -2.850 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.919 3.677 -4.557 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.928 2.894 -5.778 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.960 4.035 -4.403 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.199 3.095 -5.691 1.00 0.00 H new ATOM 151 N MET A 12 0.038 8.203 -0.137 1.00 0.00 N ATOM 152 CA MET A 12 0.511 8.764 1.136 1.00 0.00 C ATOM 153 C MET A 12 0.735 10.281 1.014 1.00 0.00 C ATOM 154 O MET A 12 0.867 10.972 2.015 1.00 0.00 O ATOM 155 CB MET A 12 1.831 8.104 1.590 1.00 0.00 C ATOM 156 CG MET A 12 3.042 8.514 0.751 1.00 0.00 C ATOM 157 SD MET A 12 4.626 8.177 1.560 1.00 0.00 S ATOM 158 CE MET A 12 4.578 6.399 1.698 1.00 0.00 C ATOM 0 H MET A 12 0.612 7.441 -0.499 1.00 0.00 H new ATOM 0 HA MET A 12 -0.262 8.563 1.878 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.017 8.363 2.632 1.00 0.00 H new ATOM 0 HB3 MET A 12 1.719 7.021 1.546 1.00 0.00 H new ATOM 0 HG2 MET A 12 3.010 7.986 -0.202 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.976 9.579 0.528 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.336 6.120 2.723 1.00 0.00 H new ATOM 0 HE2 MET A 12 3.818 6.002 1.025 1.00 0.00 H new ATOM 0 HE3 MET A 12 5.551 5.987 1.430 1.00 0.00 H new ATOM 168 N ASN A 13 0.768 10.789 -0.227 1.00 0.00 N ATOM 169 CA ASN A 13 0.991 12.209 -0.479 1.00 0.00 C ATOM 170 C ASN A 13 -0.306 12.884 -0.883 1.00 0.00 C ATOM 171 O ASN A 13 -0.297 13.946 -1.494 1.00 0.00 O ATOM 172 CB ASN A 13 2.029 12.414 -1.589 1.00 0.00 C ATOM 173 CG ASN A 13 3.404 11.921 -1.214 1.00 0.00 C ATOM 174 OD1 ASN A 13 4.183 12.639 -0.589 1.00 0.00 O ATOM 175 ND2 ASN A 13 3.722 10.703 -1.612 1.00 0.00 N ATOM 0 H ASN A 13 0.642 10.230 -1.071 1.00 0.00 H new ATOM 0 HA ASN A 13 1.364 12.654 0.443 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.697 11.896 -2.489 1.00 0.00 H new ATOM 0 HB3 ASN A 13 2.085 13.475 -1.834 1.00 0.00 H new ATOM 0 HD21 ASN A 13 4.645 10.323 -1.403 1.00 0.00 H new ATOM 0 HD22 ASN A 13 3.044 10.142 -2.128 1.00 0.00 H new ATOM 182 N ASP A 14 -1.416 12.275 -0.523 1.00 0.00 N ATOM 183 CA ASP A 14 -2.730 12.796 -0.879 1.00 0.00 C ATOM 184 C ASP A 14 -3.420 13.292 0.388 1.00 0.00 C ATOM 185 O ASP A 14 -4.647 13.353 0.476 1.00 0.00 O ATOM 186 CB ASP A 14 -3.567 11.695 -1.577 1.00 0.00 C ATOM 187 CG ASP A 14 -4.822 12.226 -2.262 1.00 0.00 C ATOM 188 OD1 ASP A 14 -4.698 12.851 -3.341 1.00 0.00 O ATOM 189 OD2 ASP A 14 -5.939 11.985 -1.750 1.00 0.00 O ATOM 0 H ASP A 14 -1.440 11.412 0.020 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.628 13.627 -1.577 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.945 11.191 -2.317 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.855 10.946 -0.839 1.00 0.00 H new ATOM 194 N GLY A 15 -2.610 13.673 1.366 1.00 0.00 N ATOM 195 CA GLY A 15 -3.129 14.142 2.627 1.00 0.00 C ATOM 196 C GLY A 15 -3.368 13.011 3.599 1.00 0.00 C ATOM 197 O GLY A 15 -3.008 11.860 3.324 1.00 0.00 O ATOM 0 H GLY A 15 -1.592 13.664 1.303 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.429 14.854 3.065 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.063 14.677 2.457 1.00 0.00 H new ATOM 201 N ALA A 16 -3.973 13.334 4.735 1.00 0.00 N ATOM 202 CA ALA A 16 -4.278 12.349 5.765 1.00 0.00 C ATOM 203 C ALA A 16 -5.176 11.243 5.226 1.00 0.00 C ATOM 204 O ALA A 16 -5.056 10.083 5.628 1.00 0.00 O ATOM 205 CB ALA A 16 -4.929 13.025 6.961 1.00 0.00 C ATOM 0 H ALA A 16 -4.265 14.283 4.968 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.341 11.892 6.082 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.152 12.279 7.724 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.249 13.772 7.372 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.853 13.510 6.646 1.00 0.00 H new ATOM 211 N LEU A 17 -6.074 11.600 4.311 1.00 0.00 N ATOM 212 CA LEU A 17 -6.960 10.622 3.706 1.00 0.00 C ATOM 213 C LEU A 17 -6.138 9.663 2.854 1.00 0.00 C ATOM 214 O LEU A 17 -6.316 8.451 2.920 1.00 0.00 O ATOM 215 CB LEU A 17 -8.024 11.318 2.845 1.00 0.00 C ATOM 216 CG LEU A 17 -9.415 10.660 2.813 1.00 0.00 C ATOM 217 CD1 LEU A 17 -9.343 9.228 2.313 1.00 0.00 C ATOM 218 CD2 LEU A 17 -10.059 10.717 4.188 1.00 0.00 C ATOM 0 H LEU A 17 -6.203 12.555 3.977 1.00 0.00 H new ATOM 0 HA LEU A 17 -7.471 10.066 4.492 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.138 12.341 3.203 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.651 11.378 1.823 1.00 0.00 H new ATOM 0 HG LEU A 17 -10.034 11.221 2.113 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -10.343 8.795 2.304 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.933 9.215 1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.701 8.644 2.973 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -11.042 10.248 4.149 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.432 10.187 4.906 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.165 11.757 4.497 1.00 0.00 H new ATOM 230 N GLY A 18 -5.224 10.223 2.072 1.00 0.00 N ATOM 231 CA GLY A 18 -4.350 9.417 1.245 1.00 0.00 C ATOM 232 C GLY A 18 -3.527 8.462 2.066 1.00 0.00 C ATOM 233 O GLY A 18 -3.380 7.297 1.706 1.00 0.00 O ATOM 0 H GLY A 18 -5.073 11.229 1.996 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.946 8.857 0.525 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.689 10.068 0.673 1.00 0.00 H new ATOM 237 N ALA A 19 -2.973 8.961 3.167 1.00 0.00 N ATOM 238 CA ALA A 19 -2.194 8.140 4.081 1.00 0.00 C ATOM 239 C ALA A 19 -3.035 6.984 4.598 1.00 0.00 C ATOM 240 O ALA A 19 -2.541 5.869 4.777 1.00 0.00 O ATOM 241 CB ALA A 19 -1.675 8.982 5.238 1.00 0.00 C ATOM 0 H ALA A 19 -3.052 9.939 3.447 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.339 7.732 3.542 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.094 8.354 5.913 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.042 9.781 4.851 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.516 9.415 5.779 1.00 0.00 H new ATOM 247 N LYS A 20 -4.316 7.257 4.802 1.00 0.00 N ATOM 248 CA LYS A 20 -5.250 6.265 5.292 1.00 0.00 C ATOM 249 C LYS A 20 -5.499 5.214 4.222 1.00 0.00 C ATOM 250 O LYS A 20 -5.516 4.015 4.508 1.00 0.00 O ATOM 251 CB LYS A 20 -6.570 6.936 5.683 1.00 0.00 C ATOM 252 CG LYS A 20 -7.115 6.506 7.035 1.00 0.00 C ATOM 253 CD LYS A 20 -6.167 6.876 8.166 1.00 0.00 C ATOM 254 CE LYS A 20 -5.948 8.378 8.244 1.00 0.00 C ATOM 255 NZ LYS A 20 -4.998 8.734 9.320 1.00 0.00 N ATOM 0 H LYS A 20 -4.732 8.172 4.631 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.824 5.782 6.172 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.427 8.017 5.689 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.315 6.718 4.918 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.084 6.976 7.203 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.279 5.428 7.035 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.571 6.517 9.112 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.210 6.375 8.018 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.569 8.741 7.289 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.901 8.877 8.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.872 9.766 9.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.372 8.409 10.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.081 8.278 9.139 1.00 0.00 H new ATOM 269 N VAL A 21 -5.701 5.670 2.989 1.00 0.00 N ATOM 270 CA VAL A 21 -5.900 4.769 1.864 1.00 0.00 C ATOM 271 C VAL A 21 -4.661 3.912 1.662 1.00 0.00 C ATOM 272 O VAL A 21 -4.749 2.694 1.471 1.00 0.00 O ATOM 273 CB VAL A 21 -6.188 5.550 0.556 1.00 0.00 C ATOM 274 CG1 VAL A 21 -6.415 4.589 -0.599 1.00 0.00 C ATOM 275 CG2 VAL A 21 -7.386 6.467 0.730 1.00 0.00 C ATOM 0 H VAL A 21 -5.731 6.660 2.746 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.761 4.141 2.092 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.318 6.165 0.327 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.616 5.155 -1.509 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.526 3.975 -0.742 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.267 3.947 -0.376 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.570 7.005 -0.200 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.264 5.874 0.986 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.185 7.181 1.529 1.00 0.00 H new ATOM 285 N ALA A 22 -3.513 4.562 1.716 1.00 0.00 N ATOM 286 CA ALA A 22 -2.237 3.905 1.548 1.00 0.00 C ATOM 287 C ALA A 22 -2.042 2.794 2.572 1.00 0.00 C ATOM 288 O ALA A 22 -1.815 1.642 2.208 1.00 0.00 O ATOM 289 CB ALA A 22 -1.114 4.928 1.658 1.00 0.00 C ATOM 0 H ALA A 22 -3.443 5.566 1.879 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.217 3.448 0.558 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.153 4.429 1.531 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.235 5.685 0.884 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.149 5.403 2.639 1.00 0.00 H new ATOM 295 N GLN A 23 -2.150 3.143 3.851 1.00 0.00 N ATOM 296 CA GLN A 23 -1.930 2.182 4.921 1.00 0.00 C ATOM 297 C GLN A 23 -2.929 1.026 4.848 1.00 0.00 C ATOM 298 O GLN A 23 -2.559 -0.126 5.038 1.00 0.00 O ATOM 299 CB GLN A 23 -1.976 2.865 6.297 1.00 0.00 C ATOM 300 CG GLN A 23 -3.370 3.140 6.824 1.00 0.00 C ATOM 301 CD GLN A 23 -3.358 3.982 8.078 1.00 0.00 C ATOM 302 OE1 GLN A 23 -3.399 5.206 8.018 1.00 0.00 O ATOM 303 NE2 GLN A 23 -3.297 3.335 9.222 1.00 0.00 N ATOM 0 H GLN A 23 -2.388 4.083 4.169 1.00 0.00 H new ATOM 0 HA GLN A 23 -0.932 1.764 4.787 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.448 2.238 7.016 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.433 3.808 6.237 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -3.952 3.648 6.055 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -3.870 2.194 7.030 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -3.264 2.316 9.230 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -3.282 3.853 10.101 1.00 0.00 H new ATOM 312 N ALA A 24 -4.185 1.340 4.534 1.00 0.00 N ATOM 313 CA ALA A 24 -5.231 0.328 4.446 1.00 0.00 C ATOM 314 C ALA A 24 -4.915 -0.674 3.354 1.00 0.00 C ATOM 315 O ALA A 24 -4.947 -1.894 3.578 1.00 0.00 O ATOM 316 CB ALA A 24 -6.575 0.990 4.177 1.00 0.00 C ATOM 0 H ALA A 24 -4.501 2.289 4.336 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.280 -0.203 5.397 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.350 0.227 4.113 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.810 1.679 4.988 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.528 1.539 3.237 1.00 0.00 H new ATOM 322 N ALA A 25 -4.595 -0.159 2.179 1.00 0.00 N ATOM 323 CA ALA A 25 -4.262 -0.991 1.041 1.00 0.00 C ATOM 324 C ALA A 25 -2.991 -1.780 1.309 1.00 0.00 C ATOM 325 O ALA A 25 -2.850 -2.913 0.864 1.00 0.00 O ATOM 326 CB ALA A 25 -4.107 -0.140 -0.211 1.00 0.00 C ATOM 0 H ALA A 25 -4.559 0.843 1.990 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.076 -1.698 0.881 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.857 -0.780 -1.057 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.042 0.382 -0.414 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.311 0.589 -0.059 1.00 0.00 H new ATOM 332 N CYS A 26 -2.086 -1.185 2.074 1.00 0.00 N ATOM 333 CA CYS A 26 -0.807 -1.794 2.362 1.00 0.00 C ATOM 334 C CYS A 26 -0.956 -2.949 3.349 1.00 0.00 C ATOM 335 O CYS A 26 -0.569 -4.078 3.058 1.00 0.00 O ATOM 336 CB CYS A 26 0.157 -0.744 2.921 1.00 0.00 C ATOM 337 SG CYS A 26 1.868 -1.322 3.087 1.00 0.00 S ATOM 0 H CYS A 26 -2.222 -0.272 2.507 1.00 0.00 H new ATOM 0 HA CYS A 26 -0.403 -2.195 1.432 1.00 0.00 H new ATOM 0 HB2 CYS A 26 0.142 0.130 2.270 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.202 -0.420 3.898 1.00 0.00 H new ATOM 342 N ILE A 27 -1.559 -2.665 4.503 1.00 0.00 N ATOM 343 CA ILE A 27 -1.739 -3.664 5.550 1.00 0.00 C ATOM 344 C ILE A 27 -2.474 -4.893 5.022 1.00 0.00 C ATOM 345 O ILE A 27 -1.994 -6.021 5.172 1.00 0.00 O ATOM 346 CB ILE A 27 -2.528 -3.083 6.753 1.00 0.00 C ATOM 347 CG1 ILE A 27 -1.781 -1.894 7.367 1.00 0.00 C ATOM 348 CG2 ILE A 27 -2.769 -4.160 7.806 1.00 0.00 C ATOM 349 CD1 ILE A 27 -2.593 -1.114 8.374 1.00 0.00 C ATOM 0 H ILE A 27 -1.932 -1.745 4.735 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.743 -3.956 5.882 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.494 -2.732 6.389 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.874 -2.258 7.850 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.469 -1.222 6.568 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.324 -3.734 8.642 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.344 -4.976 7.367 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.812 -4.541 8.162 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.996 -0.289 8.763 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.487 -0.718 7.892 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.883 -1.770 9.194 1.00 0.00 H new ATOM 361 N SER A 28 -3.620 -4.674 4.386 1.00 0.00 N ATOM 362 CA SER A 28 -4.413 -5.775 3.862 1.00 0.00 C ATOM 363 C SER A 28 -3.633 -6.575 2.812 1.00 0.00 C ATOM 364 O SER A 28 -3.647 -7.811 2.821 1.00 0.00 O ATOM 365 CB SER A 28 -5.741 -5.262 3.297 1.00 0.00 C ATOM 366 OG SER A 28 -5.534 -4.205 2.367 1.00 0.00 O ATOM 0 H SER A 28 -4.017 -3.749 4.223 1.00 0.00 H new ATOM 0 HA SER A 28 -4.635 -6.453 4.686 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.271 -6.080 2.809 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.375 -4.913 4.112 1.00 0.00 H new ATOM 0 HG SER A 28 -5.657 -3.344 2.818 1.00 0.00 H new ATOM 372 N SER A 29 -2.936 -5.867 1.926 1.00 0.00 N ATOM 373 CA SER A 29 -2.149 -6.504 0.886 1.00 0.00 C ATOM 374 C SER A 29 -1.039 -7.357 1.502 1.00 0.00 C ATOM 375 O SER A 29 -0.729 -8.450 1.009 1.00 0.00 O ATOM 376 CB SER A 29 -1.548 -5.449 -0.050 1.00 0.00 C ATOM 377 OG SER A 29 -1.059 -6.036 -1.244 1.00 0.00 O ATOM 0 H SER A 29 -2.904 -4.848 1.912 1.00 0.00 H new ATOM 0 HA SER A 29 -2.805 -7.153 0.306 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.304 -4.703 -0.293 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.738 -4.928 0.459 1.00 0.00 H new ATOM 0 HG SER A 29 -0.683 -5.339 -1.821 1.00 0.00 H new ATOM 383 N CYS A 30 -0.450 -6.855 2.585 1.00 0.00 N ATOM 384 CA CYS A 30 0.620 -7.545 3.261 1.00 0.00 C ATOM 385 C CYS A 30 0.122 -8.834 3.891 1.00 0.00 C ATOM 386 O CYS A 30 0.692 -9.899 3.673 1.00 0.00 O ATOM 387 CB CYS A 30 1.261 -6.639 4.309 1.00 0.00 C ATOM 388 SG CYS A 30 2.178 -5.226 3.609 1.00 0.00 S ATOM 0 H CYS A 30 -0.707 -5.963 3.008 1.00 0.00 H new ATOM 0 HA CYS A 30 1.379 -7.806 2.523 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.483 -6.261 4.972 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.940 -7.233 4.921 1.00 0.00 H new ATOM 393 N LYS A 31 -0.957 -8.739 4.647 1.00 0.00 N ATOM 394 CA LYS A 31 -1.523 -9.896 5.329 1.00 0.00 C ATOM 395 C LYS A 31 -1.879 -10.984 4.339 1.00 0.00 C ATOM 396 O LYS A 31 -1.610 -12.166 4.570 1.00 0.00 O ATOM 397 CB LYS A 31 -2.759 -9.474 6.107 1.00 0.00 C ATOM 398 CG LYS A 31 -2.481 -8.425 7.171 1.00 0.00 C ATOM 399 CD LYS A 31 -3.712 -7.577 7.480 1.00 0.00 C ATOM 400 CE LYS A 31 -4.789 -8.328 8.268 1.00 0.00 C ATOM 401 NZ LYS A 31 -5.427 -9.426 7.492 1.00 0.00 N ATOM 0 H LYS A 31 -1.464 -7.868 4.807 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.778 -10.294 6.018 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.501 -9.084 5.410 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.197 -10.352 6.581 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.142 -8.916 8.083 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.670 -7.777 6.837 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.405 -6.698 8.047 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.141 -7.219 6.544 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.345 -8.742 9.173 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.557 -7.622 8.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.432 -9.497 7.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.346 -9.225 6.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.950 -10.325 7.706 1.00 0.00 H new ATOM 415 N PHE A 32 -2.458 -10.574 3.226 1.00 0.00 N ATOM 416 CA PHE A 32 -2.866 -11.490 2.179 1.00 0.00 C ATOM 417 C PHE A 32 -1.682 -12.275 1.623 1.00 0.00 C ATOM 418 O PHE A 32 -1.807 -13.457 1.312 1.00 0.00 O ATOM 419 CB PHE A 32 -3.534 -10.718 1.055 1.00 0.00 C ATOM 420 CG PHE A 32 -4.752 -11.391 0.516 1.00 0.00 C ATOM 421 CD1 PHE A 32 -5.990 -11.128 1.064 1.00 0.00 C ATOM 422 CD2 PHE A 32 -4.662 -12.286 -0.536 1.00 0.00 C ATOM 423 CE1 PHE A 32 -7.123 -11.744 0.576 1.00 0.00 C ATOM 424 CE2 PHE A 32 -5.790 -12.907 -1.031 1.00 0.00 C ATOM 425 CZ PHE A 32 -7.025 -12.637 -0.474 1.00 0.00 C ATOM 0 H PHE A 32 -2.659 -9.595 3.023 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.568 -12.201 2.614 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.806 -9.726 1.417 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.818 -10.577 0.246 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -6.073 -10.431 1.885 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.698 -12.500 -0.974 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -8.086 -11.529 1.014 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -5.708 -13.603 -1.853 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.910 -13.122 -0.858 1.00 0.00 H new ATOM 435 N GLN A 33 -0.530 -11.626 1.530 1.00 0.00 N ATOM 436 CA GLN A 33 0.654 -12.253 0.953 1.00 0.00 C ATOM 437 C GLN A 33 1.526 -12.880 2.032 1.00 0.00 C ATOM 438 O GLN A 33 2.728 -13.071 1.844 1.00 0.00 O ATOM 439 CB GLN A 33 1.458 -11.237 0.137 1.00 0.00 C ATOM 440 CG GLN A 33 1.984 -10.069 0.943 1.00 0.00 C ATOM 441 CD GLN A 33 2.776 -9.096 0.107 1.00 0.00 C ATOM 442 OE1 GLN A 33 3.990 -9.241 -0.054 1.00 0.00 O ATOM 443 NE2 GLN A 33 2.106 -8.091 -0.420 1.00 0.00 N ATOM 0 H GLN A 33 -0.389 -10.667 1.846 1.00 0.00 H new ATOM 0 HA GLN A 33 0.320 -13.048 0.286 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.299 -11.748 -0.331 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.829 -10.855 -0.667 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.147 -9.546 1.407 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.613 -10.444 1.751 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.102 -8.009 -0.262 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.592 -7.395 -0.986 1.00 0.00 H new ATOM 452 N ASN A 34 0.896 -13.193 3.163 1.00 0.00 N ATOM 453 CA ASN A 34 1.555 -13.866 4.286 1.00 0.00 C ATOM 454 C ASN A 34 2.538 -12.934 5.001 1.00 0.00 C ATOM 455 O ASN A 34 3.683 -13.295 5.282 1.00 0.00 O ATOM 456 CB ASN A 34 2.255 -15.156 3.822 1.00 0.00 C ATOM 457 CG ASN A 34 2.746 -16.013 4.979 1.00 0.00 C ATOM 458 OD1 ASN A 34 2.144 -16.039 6.049 1.00 0.00 O ATOM 459 ND2 ASN A 34 3.844 -16.713 4.770 1.00 0.00 N ATOM 0 H ASN A 34 -0.089 -12.987 3.329 1.00 0.00 H new ATOM 0 HA ASN A 34 0.782 -14.140 5.004 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.564 -15.739 3.212 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.100 -14.896 3.185 1.00 0.00 H new ATOM 0 HD21 ASN A 34 4.222 -17.303 5.512 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.315 -16.665 3.867 1.00 0.00 H new ATOM 466 N CYS A 35 2.093 -11.728 5.262 1.00 0.00 N ATOM 467 CA CYS A 35 2.866 -10.791 6.044 1.00 0.00 C ATOM 468 C CYS A 35 2.057 -10.346 7.249 1.00 0.00 C ATOM 469 O CYS A 35 0.855 -10.115 7.147 1.00 0.00 O ATOM 470 CB CYS A 35 3.297 -9.591 5.204 1.00 0.00 C ATOM 471 SG CYS A 35 4.552 -9.970 3.934 1.00 0.00 S ATOM 0 H CYS A 35 1.193 -11.370 4.942 1.00 0.00 H new ATOM 0 HA CYS A 35 3.773 -11.288 6.388 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.418 -9.171 4.715 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.691 -8.821 5.868 1.00 0.00 H new ATOM 476 N GLY A 36 2.712 -10.267 8.389 1.00 0.00 N ATOM 477 CA GLY A 36 2.037 -9.894 9.620 1.00 0.00 C ATOM 478 C GLY A 36 1.436 -8.504 9.581 1.00 0.00 C ATOM 479 O GLY A 36 0.334 -8.289 10.076 1.00 0.00 O ATOM 0 H GLY A 36 3.709 -10.455 8.491 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.248 -10.617 9.826 1.00 0.00 H new ATOM 0 HA3 GLY A 36 2.746 -9.952 10.446 1.00 0.00 H new ATOM 483 N THR A 37 2.146 -7.568 8.994 1.00 0.00 N ATOM 484 CA THR A 37 1.663 -6.209 8.931 1.00 0.00 C ATOM 485 C THR A 37 2.282 -5.464 7.755 1.00 0.00 C ATOM 486 O THR A 37 3.179 -5.987 7.078 1.00 0.00 O ATOM 487 CB THR A 37 1.962 -5.463 10.263 1.00 0.00 C ATOM 488 OG1 THR A 37 1.328 -4.175 10.280 1.00 0.00 O ATOM 489 CG2 THR A 37 3.461 -5.301 10.474 1.00 0.00 C ATOM 0 H THR A 37 3.054 -7.722 8.556 1.00 0.00 H new ATOM 0 HA THR A 37 0.584 -6.240 8.783 1.00 0.00 H new ATOM 0 HB THR A 37 1.558 -6.066 11.076 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.429 -4.248 9.896 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.642 -4.776 11.412 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.931 -6.284 10.511 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.884 -4.727 9.650 1.00 0.00 H new ATOM 497 N GLY A 38 1.800 -4.260 7.517 1.00 0.00 N ATOM 498 CA GLY A 38 2.289 -3.462 6.432 1.00 0.00 C ATOM 499 C GLY A 38 2.195 -1.993 6.737 1.00 0.00 C ATOM 500 O GLY A 38 1.299 -1.565 7.462 1.00 0.00 O ATOM 0 H GLY A 38 1.065 -3.819 8.070 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.326 -3.725 6.225 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.718 -3.684 5.531 1.00 0.00 H new ATOM 504 N HIS A 39 3.119 -1.224 6.213 1.00 0.00 N ATOM 505 CA HIS A 39 3.096 0.209 6.392 1.00 0.00 C ATOM 506 C HIS A 39 3.737 0.882 5.198 1.00 0.00 C ATOM 507 O HIS A 39 4.603 0.307 4.541 1.00 0.00 O ATOM 508 CB HIS A 39 3.773 0.643 7.719 1.00 0.00 C ATOM 509 CG HIS A 39 5.279 0.604 7.726 1.00 0.00 C ATOM 510 ND1 HIS A 39 6.006 -0.442 8.248 1.00 0.00 N ATOM 511 CD2 HIS A 39 6.188 1.513 7.306 1.00 0.00 C ATOM 512 CE1 HIS A 39 7.291 -0.173 8.151 1.00 0.00 C ATOM 513 NE2 HIS A 39 7.428 1.004 7.582 1.00 0.00 N ATOM 0 H HIS A 39 3.901 -1.569 5.656 1.00 0.00 H new ATOM 0 HA HIS A 39 2.056 0.527 6.461 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.453 1.658 7.954 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.407 0.000 8.520 1.00 0.00 H new ATOM 0 HD2 HIS A 39 5.975 2.464 6.840 1.00 0.00 H new ATOM 0 HE1 HIS A 39 8.096 -0.811 8.483 1.00 0.00 H new ATOM 0 HE2 HIS A 39 8.316 1.464 7.379 1.00 0.00 H new ATOM 522 N CYS A 40 3.327 2.080 4.924 1.00 0.00 N ATOM 523 CA CYS A 40 3.847 2.798 3.793 1.00 0.00 C ATOM 524 C CYS A 40 5.125 3.509 4.162 1.00 0.00 C ATOM 525 O CYS A 40 5.167 4.266 5.130 1.00 0.00 O ATOM 526 CB CYS A 40 2.817 3.777 3.284 1.00 0.00 C ATOM 527 SG CYS A 40 1.242 2.991 2.848 1.00 0.00 S ATOM 0 H CYS A 40 2.630 2.588 5.469 1.00 0.00 H new ATOM 0 HA CYS A 40 4.073 2.088 2.998 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.639 4.536 4.046 1.00 0.00 H new ATOM 0 HB3 CYS A 40 3.214 4.291 2.409 1.00 0.00 H new ATOM 532 N GLU A 41 6.162 3.266 3.400 1.00 0.00 N ATOM 533 CA GLU A 41 7.441 3.854 3.671 1.00 0.00 C ATOM 534 C GLU A 41 8.099 4.241 2.358 1.00 0.00 C ATOM 535 O GLU A 41 7.924 3.562 1.348 1.00 0.00 O ATOM 536 CB GLU A 41 8.298 2.850 4.440 1.00 0.00 C ATOM 537 CG GLU A 41 9.492 3.447 5.148 1.00 0.00 C ATOM 538 CD GLU A 41 10.174 2.445 6.042 1.00 0.00 C ATOM 539 OE1 GLU A 41 9.721 2.264 7.193 1.00 0.00 O ATOM 540 OE2 GLU A 41 11.154 1.822 5.602 1.00 0.00 O ATOM 0 H GLU A 41 6.140 2.659 2.581 1.00 0.00 H new ATOM 0 HA GLU A 41 7.328 4.752 4.279 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.671 2.347 5.176 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.649 2.087 3.746 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.203 3.818 4.410 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.171 4.304 5.741 1.00 0.00 H new ATOM 547 N ARG A 42 8.833 5.326 2.356 1.00 0.00 N ATOM 548 CA ARG A 42 9.488 5.766 1.153 1.00 0.00 C ATOM 549 C ARG A 42 10.839 5.138 1.043 1.00 0.00 C ATOM 550 O ARG A 42 11.661 5.235 1.950 1.00 0.00 O ATOM 551 CB ARG A 42 9.606 7.283 1.091 1.00 0.00 C ATOM 552 CG ARG A 42 8.285 7.989 0.882 1.00 0.00 C ATOM 553 CD ARG A 42 8.467 9.490 0.728 1.00 0.00 C ATOM 554 NE ARG A 42 9.063 9.849 -0.566 1.00 0.00 N ATOM 555 CZ ARG A 42 9.280 11.116 -0.968 1.00 0.00 C ATOM 556 NH1 ARG A 42 8.982 12.134 -0.168 1.00 0.00 N ATOM 557 NH2 ARG A 42 9.791 11.357 -2.169 1.00 0.00 N ATOM 0 H ARG A 42 8.991 5.918 3.172 1.00 0.00 H new ATOM 0 HA ARG A 42 8.873 5.451 0.310 1.00 0.00 H new ATOM 0 HB2 ARG A 42 10.057 7.641 2.017 1.00 0.00 H new ATOM 0 HB3 ARG A 42 10.284 7.553 0.281 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.795 7.589 -0.006 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.627 7.787 1.727 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.500 9.983 0.830 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.101 9.862 1.533 1.00 0.00 H new ATOM 0 HE ARG A 42 9.328 9.093 -1.198 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.587 11.958 0.756 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.148 13.092 -0.478 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.021 10.582 -2.791 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.954 12.318 -2.470 1.00 0.00 H new ATOM 571 N ARG A 43 11.057 4.470 -0.050 1.00 0.00 N ATOM 572 CA ARG A 43 12.314 3.819 -0.308 1.00 0.00 C ATOM 573 C ARG A 43 12.954 4.438 -1.523 1.00 0.00 C ATOM 574 O ARG A 43 12.442 4.312 -2.637 1.00 0.00 O ATOM 575 CB ARG A 43 12.111 2.314 -0.500 1.00 0.00 C ATOM 576 CG ARG A 43 11.588 1.606 0.744 1.00 0.00 C ATOM 577 CD ARG A 43 12.508 1.849 1.934 1.00 0.00 C ATOM 578 NE ARG A 43 12.083 1.130 3.132 1.00 0.00 N ATOM 579 CZ ARG A 43 12.402 -0.131 3.409 1.00 0.00 C ATOM 580 NH1 ARG A 43 13.110 -0.851 2.544 1.00 0.00 N ATOM 581 NH2 ARG A 43 12.017 -0.662 4.558 1.00 0.00 N ATOM 0 H ARG A 43 10.367 4.359 -0.793 1.00 0.00 H new ATOM 0 HA ARG A 43 12.975 3.955 0.548 1.00 0.00 H new ATOM 0 HB2 ARG A 43 11.413 2.152 -1.321 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.059 1.862 -0.794 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.585 1.963 0.976 1.00 0.00 H new ATOM 0 HG3 ARG A 43 11.509 0.536 0.552 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.521 1.544 1.673 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.542 2.917 2.149 1.00 0.00 H new ATOM 0 HE ARG A 43 11.501 1.630 3.804 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.412 -0.437 1.662 1.00 0.00 H new ATOM 0 HH12 ARG A 43 13.351 -1.818 2.762 1.00 0.00 H new ATOM 0 HH21 ARG A 43 11.480 -0.105 5.223 1.00 0.00 H new ATOM 0 HH22 ARG A 43 12.257 -1.628 4.779 1.00 0.00 H new ATOM 595 N GLY A 44 14.066 5.113 -1.307 1.00 0.00 N ATOM 596 CA GLY A 44 14.713 5.832 -2.379 1.00 0.00 C ATOM 597 C GLY A 44 13.799 6.895 -2.959 1.00 0.00 C ATOM 598 O GLY A 44 13.715 7.056 -4.175 1.00 0.00 O ATOM 0 H GLY A 44 14.535 5.177 -0.404 1.00 0.00 H new ATOM 0 HA2 GLY A 44 15.626 6.297 -2.009 1.00 0.00 H new ATOM 0 HA3 GLY A 44 15.006 5.134 -3.163 1.00 0.00 H new ATOM 602 N GLY A 45 13.106 7.618 -2.080 1.00 0.00 N ATOM 603 CA GLY A 45 12.164 8.638 -2.515 1.00 0.00 C ATOM 604 C GLY A 45 10.878 8.064 -3.082 1.00 0.00 C ATOM 605 O GLY A 45 9.951 8.803 -3.399 1.00 0.00 O ATOM 0 H GLY A 45 13.181 7.514 -1.068 1.00 0.00 H new ATOM 0 HA2 GLY A 45 11.924 9.285 -1.671 1.00 0.00 H new ATOM 0 HA3 GLY A 45 12.639 9.263 -3.271 1.00 0.00 H new ATOM 609 N ARG A 46 10.814 6.759 -3.184 1.00 0.00 N ATOM 610 CA ARG A 46 9.657 6.098 -3.768 1.00 0.00 C ATOM 611 C ARG A 46 8.730 5.550 -2.693 1.00 0.00 C ATOM 612 O ARG A 46 9.092 4.622 -1.972 1.00 0.00 O ATOM 613 CB ARG A 46 10.093 4.989 -4.720 1.00 0.00 C ATOM 614 CG ARG A 46 10.914 5.477 -5.914 1.00 0.00 C ATOM 615 CD ARG A 46 10.087 6.343 -6.870 1.00 0.00 C ATOM 616 NE ARG A 46 9.852 7.692 -6.346 1.00 0.00 N ATOM 617 CZ ARG A 46 8.800 8.457 -6.660 1.00 0.00 C ATOM 618 NH1 ARG A 46 7.878 8.015 -7.510 1.00 0.00 N ATOM 619 NH2 ARG A 46 8.678 9.665 -6.128 1.00 0.00 N ATOM 0 H ARG A 46 11.549 6.125 -2.871 1.00 0.00 H new ATOM 0 HA ARG A 46 9.101 6.843 -4.337 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.680 4.258 -4.164 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.207 4.473 -5.089 1.00 0.00 H new ATOM 0 HG2 ARG A 46 11.769 6.050 -5.555 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.311 4.618 -6.455 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.602 6.414 -7.828 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.129 5.858 -7.058 1.00 0.00 H new ATOM 0 HE ARG A 46 10.539 8.074 -5.696 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.971 7.088 -7.926 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.078 8.602 -7.746 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.386 10.011 -5.480 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.876 10.249 -6.367 1.00 0.00 H new ATOM 633 N PRO A 47 7.526 6.128 -2.554 1.00 0.00 N ATOM 634 CA PRO A 47 6.543 5.669 -1.573 1.00 0.00 C ATOM 635 C PRO A 47 6.091 4.243 -1.862 1.00 0.00 C ATOM 636 O PRO A 47 5.342 3.993 -2.797 1.00 0.00 O ATOM 637 CB PRO A 47 5.383 6.653 -1.727 1.00 0.00 C ATOM 638 CG PRO A 47 5.550 7.242 -3.084 1.00 0.00 C ATOM 639 CD PRO A 47 7.023 7.264 -3.348 1.00 0.00 C ATOM 0 HA PRO A 47 6.947 5.646 -0.561 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.422 6.147 -1.633 1.00 0.00 H new ATOM 0 HB3 PRO A 47 5.415 7.423 -0.956 1.00 0.00 H new ATOM 0 HG2 PRO A 47 5.028 6.647 -3.834 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.131 8.247 -3.127 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.244 7.143 -4.409 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.474 8.205 -3.034 1.00 0.00 H new ATOM 647 N THR A 48 6.561 3.324 -1.059 1.00 0.00 N ATOM 648 CA THR A 48 6.289 1.925 -1.262 1.00 0.00 C ATOM 649 C THR A 48 5.554 1.334 -0.057 1.00 0.00 C ATOM 650 O THR A 48 5.614 1.875 1.051 1.00 0.00 O ATOM 651 CB THR A 48 7.618 1.156 -1.489 1.00 0.00 C ATOM 652 OG1 THR A 48 8.377 1.800 -2.523 1.00 0.00 O ATOM 653 CG2 THR A 48 7.365 -0.292 -1.886 1.00 0.00 C ATOM 0 H THR A 48 7.143 3.525 -0.246 1.00 0.00 H new ATOM 0 HA THR A 48 5.654 1.824 -2.142 1.00 0.00 H new ATOM 0 HB THR A 48 8.173 1.164 -0.551 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.663 2.686 -2.216 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.318 -0.800 -2.037 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.807 -0.794 -1.095 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.789 -0.320 -2.811 1.00 0.00 H new ATOM 661 N CYS A 49 4.848 0.255 -0.288 1.00 0.00 N ATOM 662 CA CYS A 49 4.179 -0.462 0.765 1.00 0.00 C ATOM 663 C CYS A 49 5.117 -1.532 1.276 1.00 0.00 C ATOM 664 O CYS A 49 5.348 -2.536 0.603 1.00 0.00 O ATOM 665 CB CYS A 49 2.894 -1.106 0.242 1.00 0.00 C ATOM 666 SG CYS A 49 2.168 -2.341 1.367 1.00 0.00 S ATOM 0 H CYS A 49 4.722 -0.151 -1.215 1.00 0.00 H new ATOM 0 HA CYS A 49 3.912 0.226 1.567 1.00 0.00 H new ATOM 0 HB2 CYS A 49 2.158 -0.324 0.056 1.00 0.00 H new ATOM 0 HB3 CYS A 49 3.103 -1.582 -0.716 1.00 0.00 H new ATOM 671 N VAL A 50 5.691 -1.313 2.440 1.00 0.00 N ATOM 672 CA VAL A 50 6.631 -2.259 2.973 1.00 0.00 C ATOM 673 C VAL A 50 5.980 -3.105 4.058 1.00 0.00 C ATOM 674 O VAL A 50 5.366 -2.584 5.000 1.00 0.00 O ATOM 675 CB VAL A 50 7.928 -1.579 3.497 1.00 0.00 C ATOM 676 CG1 VAL A 50 8.577 -0.749 2.398 1.00 0.00 C ATOM 677 CG2 VAL A 50 7.651 -0.714 4.709 1.00 0.00 C ATOM 0 H VAL A 50 5.522 -0.495 3.026 1.00 0.00 H new ATOM 0 HA VAL A 50 6.931 -2.912 2.153 1.00 0.00 H new ATOM 0 HB VAL A 50 8.615 -2.370 3.798 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.483 -0.281 2.783 1.00 0.00 H new ATOM 0 HG12 VAL A 50 8.831 -1.394 1.557 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.882 0.023 2.067 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.580 -0.255 5.048 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.936 0.065 4.444 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.238 -1.329 5.508 1.00 0.00 H new ATOM 687 N CYS A 51 6.083 -4.397 3.906 1.00 0.00 N ATOM 688 CA CYS A 51 5.474 -5.312 4.837 1.00 0.00 C ATOM 689 C CYS A 51 6.475 -5.789 5.873 1.00 0.00 C ATOM 690 O CYS A 51 7.691 -5.744 5.656 1.00 0.00 O ATOM 691 CB CYS A 51 4.887 -6.508 4.095 1.00 0.00 C ATOM 692 SG CYS A 51 3.786 -6.074 2.708 1.00 0.00 S ATOM 0 H CYS A 51 6.587 -4.844 3.140 1.00 0.00 H new ATOM 0 HA CYS A 51 4.674 -4.781 5.353 1.00 0.00 H new ATOM 0 HB2 CYS A 51 5.705 -7.120 3.715 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.332 -7.122 4.804 1.00 0.00 H new ATOM 697 N SER A 52 5.962 -6.233 6.995 1.00 0.00 N ATOM 698 CA SER A 52 6.775 -6.754 8.066 1.00 0.00 C ATOM 699 C SER A 52 6.169 -8.061 8.566 1.00 0.00 C ATOM 700 O SER A 52 4.977 -8.322 8.326 1.00 0.00 O ATOM 701 CB SER A 52 6.868 -5.729 9.196 1.00 0.00 C ATOM 702 OG SER A 52 7.338 -4.482 8.706 1.00 0.00 O ATOM 0 H SER A 52 4.961 -6.243 7.191 1.00 0.00 H new ATOM 0 HA SER A 52 7.784 -6.950 7.702 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.889 -5.598 9.657 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.539 -6.096 9.972 1.00 0.00 H new ATOM 0 HG SER A 52 7.389 -3.839 9.444 1.00 0.00 H new ATOM 708 N ARG A 53 6.978 -8.879 9.250 1.00 0.00 N ATOM 709 CA ARG A 53 6.536 -10.191 9.737 1.00 0.00 C ATOM 710 C ARG A 53 6.121 -11.076 8.559 1.00 0.00 C ATOM 711 O ARG A 53 5.095 -11.754 8.598 1.00 0.00 O ATOM 712 CB ARG A 53 5.377 -10.043 10.736 1.00 0.00 C ATOM 713 CG ARG A 53 5.738 -9.347 12.050 1.00 0.00 C ATOM 714 CD ARG A 53 6.642 -10.208 12.931 1.00 0.00 C ATOM 715 NE ARG A 53 7.997 -10.326 12.397 1.00 0.00 N ATOM 716 CZ ARG A 53 8.892 -11.228 12.793 1.00 0.00 C ATOM 717 NH1 ARG A 53 8.598 -12.100 13.758 1.00 0.00 N ATOM 718 NH2 ARG A 53 10.091 -11.247 12.231 1.00 0.00 N ATOM 0 H ARG A 53 7.946 -8.654 9.479 1.00 0.00 H new ATOM 0 HA ARG A 53 7.369 -10.665 10.256 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.573 -9.485 10.256 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.985 -11.034 10.964 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.238 -8.403 11.833 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.825 -9.107 12.595 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.686 -9.777 13.931 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.206 -11.202 13.031 1.00 0.00 H new ATOM 0 HE ARG A 53 8.277 -9.670 11.668 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.679 -12.080 14.201 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.292 -12.787 14.053 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.323 -10.574 11.501 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.783 -11.935 12.529 1.00 0.00 H new ATOM 732 N CYS A 54 6.932 -11.056 7.523 1.00 0.00 N ATOM 733 CA CYS A 54 6.669 -11.824 6.315 1.00 0.00 C ATOM 734 C CYS A 54 7.355 -13.175 6.383 1.00 0.00 C ATOM 735 O CYS A 54 8.344 -13.336 7.106 1.00 0.00 O ATOM 736 CB CYS A 54 7.144 -11.059 5.081 1.00 0.00 C ATOM 737 SG CYS A 54 6.306 -9.462 4.825 1.00 0.00 S ATOM 0 H CYS A 54 7.792 -10.509 7.490 1.00 0.00 H new ATOM 0 HA CYS A 54 5.593 -11.981 6.239 1.00 0.00 H new ATOM 0 HB2 CYS A 54 8.217 -10.884 5.166 1.00 0.00 H new ATOM 0 HB3 CYS A 54 6.991 -11.682 4.200 1.00 0.00 H new ATOM 742 N GLY A 55 6.843 -14.144 5.629 1.00 0.00 N ATOM 743 CA GLY A 55 7.421 -15.466 5.621 1.00 0.00 C ATOM 744 C GLY A 55 7.309 -16.164 6.958 1.00 0.00 C ATOM 745 O GLY A 55 6.224 -16.593 7.359 1.00 0.00 O ATOM 0 H GLY A 55 6.032 -14.030 5.021 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.927 -16.069 4.859 1.00 0.00 H new ATOM 0 HA3 GLY A 55 8.472 -15.396 5.340 1.00 0.00 H new ATOM 749 N ASN A 56 8.427 -16.286 7.640 1.00 0.00 N ATOM 750 CA ASN A 56 8.471 -16.939 8.933 1.00 0.00 C ATOM 751 C ASN A 56 8.294 -15.925 10.041 1.00 0.00 C ATOM 752 O ASN A 56 8.933 -14.873 10.034 1.00 0.00 O ATOM 753 CB ASN A 56 9.808 -17.664 9.123 1.00 0.00 C ATOM 754 CG ASN A 56 10.119 -18.625 8.003 1.00 0.00 C ATOM 755 OD1 ASN A 56 10.771 -18.263 7.024 1.00 0.00 O ATOM 756 ND2 ASN A 56 9.660 -19.848 8.127 1.00 0.00 N ATOM 0 H ASN A 56 9.329 -15.937 7.316 1.00 0.00 H new ATOM 0 HA ASN A 56 7.659 -17.665 8.973 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.608 -16.927 9.195 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.789 -18.208 10.067 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.840 -20.537 7.396 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.123 -20.110 8.954 1.00 0.00 H new ATOM 763 N GLY A 57 7.426 -16.233 10.982 1.00 0.00 N ATOM 764 CA GLY A 57 7.229 -15.356 12.108 1.00 0.00 C ATOM 765 C GLY A 57 8.270 -15.601 13.175 1.00 0.00 C ATOM 766 O GLY A 57 9.320 -14.954 13.192 1.00 0.00 O ATOM 0 H GLY A 57 6.852 -17.076 10.987 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.279 -14.318 11.778 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.233 -15.511 12.524 1.00 0.00 H new ATOM 770 N GLY A 58 7.991 -16.542 14.058 1.00 0.00 N ATOM 771 CA GLY A 58 8.931 -16.875 15.100 1.00 0.00 C ATOM 772 C GLY A 58 8.772 -15.987 16.304 1.00 0.00 C ATOM 773 O GLY A 58 7.772 -16.071 17.019 1.00 0.00 O ATOM 0 H GLY A 58 7.126 -17.083 14.071 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.792 -17.915 15.395 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.947 -16.786 14.715 1.00 0.00 H new ATOM 777 N GLY A 59 9.743 -15.125 16.526 1.00 0.00 N ATOM 778 CA GLY A 59 9.682 -14.228 17.650 1.00 0.00 C ATOM 779 C GLY A 59 9.804 -12.784 17.232 1.00 0.00 C ATOM 780 O GLY A 59 10.531 -12.464 16.286 1.00 0.00 O ATOM 0 H GLY A 59 10.576 -15.030 15.945 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.740 -14.373 18.178 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.481 -14.471 18.351 1.00 0.00 H new ATOM 784 N GLU A 60 9.096 -11.914 17.926 1.00 0.00 N ATOM 785 CA GLU A 60 9.129 -10.490 17.651 1.00 0.00 C ATOM 786 C GLU A 60 8.695 -9.718 18.881 1.00 0.00 C ATOM 787 O GLU A 60 8.283 -10.309 19.880 1.00 0.00 O ATOM 788 CB GLU A 60 8.238 -10.112 16.450 1.00 0.00 C ATOM 789 CG GLU A 60 6.744 -10.364 16.644 1.00 0.00 C ATOM 790 CD GLU A 60 6.374 -11.828 16.570 1.00 0.00 C ATOM 791 OE1 GLU A 60 6.502 -12.422 15.478 1.00 0.00 O ATOM 792 OE2 GLU A 60 5.933 -12.388 17.598 1.00 0.00 O ATOM 0 H GLU A 60 8.481 -12.174 18.697 1.00 0.00 H new ATOM 0 HA GLU A 60 10.155 -10.227 17.394 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.386 -9.055 16.227 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.574 -10.672 15.578 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.437 -9.967 17.612 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.188 -9.816 15.884 1.00 0.00 H new ATOM 799 N TRP A 61 8.800 -8.414 18.819 1.00 0.00 N ATOM 800 CA TRP A 61 8.416 -7.576 19.931 1.00 0.00 C ATOM 801 C TRP A 61 6.970 -7.124 19.794 1.00 0.00 C ATOM 802 O TRP A 61 6.583 -6.575 18.760 1.00 0.00 O ATOM 803 CB TRP A 61 9.338 -6.374 20.037 1.00 0.00 C ATOM 804 CG TRP A 61 10.779 -6.741 20.231 1.00 0.00 C ATOM 805 CD1 TRP A 61 11.832 -6.316 19.483 1.00 0.00 C ATOM 806 CD2 TRP A 61 11.323 -7.614 21.236 1.00 0.00 C ATOM 807 NE1 TRP A 61 12.996 -6.861 19.958 1.00 0.00 N ATOM 808 CE2 TRP A 61 12.712 -7.662 21.032 1.00 0.00 C ATOM 809 CE3 TRP A 61 10.771 -8.355 22.288 1.00 0.00 C ATOM 810 CZ2 TRP A 61 13.560 -8.419 21.836 1.00 0.00 C ATOM 811 CZ3 TRP A 61 11.613 -9.107 23.086 1.00 0.00 C ATOM 812 CH2 TRP A 61 12.994 -9.134 22.856 1.00 0.00 C ATOM 0 H TRP A 61 9.150 -7.906 18.006 1.00 0.00 H new ATOM 0 HA TRP A 61 8.506 -8.164 20.844 1.00 0.00 H new ATOM 0 HB2 TRP A 61 9.243 -5.772 19.133 1.00 0.00 H new ATOM 0 HB3 TRP A 61 9.015 -5.750 20.870 1.00 0.00 H new ATOM 0 HD1 TRP A 61 11.761 -5.647 18.638 1.00 0.00 H new ATOM 0 HE1 TRP A 61 13.926 -6.696 19.573 1.00 0.00 H new ATOM 0 HE3 TRP A 61 9.707 -8.339 22.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 14.625 -8.441 21.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 11.199 -9.683 23.900 1.00 0.00 H new ATOM 0 HH2 TRP A 61 13.625 -9.732 23.497 1.00 0.00 H new ATOM 823 N PRO A 62 6.151 -7.350 20.837 1.00 0.00 N ATOM 824 CA PRO A 62 4.742 -6.969 20.823 1.00 0.00 C ATOM 825 C PRO A 62 4.538 -5.462 20.628 1.00 0.00 C ATOM 826 O PRO A 62 3.742 -5.044 19.780 1.00 0.00 O ATOM 827 CB PRO A 62 4.204 -7.423 22.190 1.00 0.00 C ATOM 828 CG PRO A 62 5.409 -7.694 23.030 1.00 0.00 C ATOM 829 CD PRO A 62 6.536 -8.017 22.091 1.00 0.00 C ATOM 0 HA PRO A 62 4.219 -7.432 19.986 1.00 0.00 H new ATOM 0 HB2 PRO A 62 3.579 -6.652 22.640 1.00 0.00 H new ATOM 0 HB3 PRO A 62 3.587 -8.316 22.091 1.00 0.00 H new ATOM 0 HG2 PRO A 62 5.655 -6.827 23.643 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.225 -8.524 23.712 1.00 0.00 H new ATOM 0 HD2 PRO A 62 7.489 -7.644 22.466 1.00 0.00 H new ATOM 0 HD3 PRO A 62 6.647 -9.093 21.954 1.00 0.00 H new ATOM 837 N ASN A 63 5.261 -4.640 21.393 1.00 0.00 N ATOM 838 CA ASN A 63 5.133 -3.187 21.272 1.00 0.00 C ATOM 839 C ASN A 63 6.498 -2.512 21.354 1.00 0.00 C ATOM 840 O ASN A 63 6.604 -1.366 21.783 1.00 0.00 O ATOM 841 CB ASN A 63 4.211 -2.620 22.364 1.00 0.00 C ATOM 842 CG ASN A 63 2.791 -3.145 22.284 1.00 0.00 C ATOM 843 OD1 ASN A 63 2.434 -4.116 22.961 1.00 0.00 O ATOM 844 ND2 ASN A 63 1.978 -2.528 21.448 1.00 0.00 N ATOM 0 H ASN A 63 5.933 -4.951 22.094 1.00 0.00 H new ATOM 0 HA ASN A 63 4.692 -2.978 20.297 1.00 0.00 H new ATOM 0 HB2 ASN A 63 4.626 -2.863 23.342 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.194 -1.533 22.286 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.016 -2.849 21.342 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.312 -1.730 20.907 1.00 0.00 H new ATOM 851 N LEU A 64 7.524 -3.227 20.893 1.00 0.00 N ATOM 852 CA LEU A 64 8.914 -2.729 20.860 1.00 0.00 C ATOM 853 C LEU A 64 9.413 -2.214 22.227 1.00 0.00 C ATOM 854 O LEU A 64 9.224 -1.042 22.565 1.00 0.00 O ATOM 855 CB LEU A 64 9.056 -1.614 19.809 1.00 0.00 C ATOM 856 CG LEU A 64 8.617 -1.971 18.385 1.00 0.00 C ATOM 857 CD1 LEU A 64 8.680 -0.744 17.486 1.00 0.00 C ATOM 858 CD2 LEU A 64 9.483 -3.087 17.818 1.00 0.00 C ATOM 0 H LEU A 64 7.422 -4.174 20.528 1.00 0.00 H new ATOM 0 HA LEU A 64 9.537 -3.583 20.594 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.476 -0.753 20.141 1.00 0.00 H new ATOM 0 HB3 LEU A 64 10.100 -1.302 19.778 1.00 0.00 H new ATOM 0 HG LEU A 64 7.586 -2.323 18.424 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.365 -1.015 16.478 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.018 0.028 17.878 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.702 -0.366 17.457 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.154 -3.325 16.806 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.524 -2.764 17.795 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.392 -3.973 18.446 1.00 0.00 H new ATOM 870 N PRO A 65 10.053 -3.080 23.030 1.00 0.00 N ATOM 871 CA PRO A 65 10.642 -2.670 24.299 1.00 0.00 C ATOM 872 C PRO A 65 11.964 -1.944 24.063 1.00 0.00 C ATOM 873 O PRO A 65 12.728 -2.304 23.155 1.00 0.00 O ATOM 874 CB PRO A 65 10.879 -3.995 25.023 1.00 0.00 C ATOM 875 CG PRO A 65 11.085 -4.986 23.932 1.00 0.00 C ATOM 876 CD PRO A 65 10.245 -4.516 22.770 1.00 0.00 C ATOM 0 HA PRO A 65 10.011 -1.982 24.863 1.00 0.00 H new ATOM 0 HB2 PRO A 65 11.749 -3.939 25.678 1.00 0.00 H new ATOM 0 HB3 PRO A 65 10.027 -4.264 25.647 1.00 0.00 H new ATOM 0 HG2 PRO A 65 12.137 -5.044 23.653 1.00 0.00 H new ATOM 0 HG3 PRO A 65 10.784 -5.984 24.251 1.00 0.00 H new ATOM 0 HD2 PRO A 65 10.749 -4.686 21.818 1.00 0.00 H new ATOM 0 HD3 PRO A 65 9.293 -5.045 22.726 1.00 0.00 H new ATOM 884 N SER A 66 12.244 -0.940 24.866 1.00 0.00 N ATOM 885 CA SER A 66 13.445 -0.158 24.687 1.00 0.00 C ATOM 886 C SER A 66 13.779 0.609 25.955 1.00 0.00 C ATOM 887 O SER A 66 12.896 0.899 26.767 1.00 0.00 O ATOM 888 CB SER A 66 13.280 0.807 23.498 1.00 0.00 C ATOM 889 OG SER A 66 12.143 1.644 23.663 1.00 0.00 O ATOM 0 H SER A 66 11.657 -0.648 25.647 1.00 0.00 H new ATOM 0 HA SER A 66 14.271 -0.836 24.472 1.00 0.00 H new ATOM 0 HB2 SER A 66 14.175 1.422 23.399 1.00 0.00 H new ATOM 0 HB3 SER A 66 13.182 0.236 22.575 1.00 0.00 H new ATOM 0 HG SER A 66 12.429 2.580 23.706 1.00 0.00 H new ATOM 895 N ARG A 67 15.044 0.945 26.115 1.00 0.00 N ATOM 896 CA ARG A 67 15.479 1.701 27.274 1.00 0.00 C ATOM 897 C ARG A 67 15.431 3.187 26.950 1.00 0.00 C ATOM 898 O ARG A 67 15.500 4.043 27.834 1.00 0.00 O ATOM 899 CB ARG A 67 16.882 1.285 27.711 1.00 0.00 C ATOM 900 CG ARG A 67 17.980 1.627 26.721 1.00 0.00 C ATOM 901 CD ARG A 67 19.336 1.263 27.283 1.00 0.00 C ATOM 902 NE ARG A 67 19.553 1.867 28.603 1.00 0.00 N ATOM 903 CZ ARG A 67 20.543 1.534 29.437 1.00 0.00 C ATOM 904 NH1 ARG A 67 21.458 0.639 29.071 1.00 0.00 N ATOM 905 NH2 ARG A 67 20.622 2.108 30.633 1.00 0.00 N ATOM 0 H ARG A 67 15.788 0.707 25.459 1.00 0.00 H new ATOM 0 HA ARG A 67 14.806 1.491 28.106 1.00 0.00 H new ATOM 0 HB2 ARG A 67 17.108 1.764 28.664 1.00 0.00 H new ATOM 0 HB3 ARG A 67 16.890 0.209 27.885 1.00 0.00 H new ATOM 0 HG2 ARG A 67 17.813 1.093 25.786 1.00 0.00 H new ATOM 0 HG3 ARG A 67 17.950 2.692 26.490 1.00 0.00 H new ATOM 0 HD2 ARG A 67 19.420 0.179 27.360 1.00 0.00 H new ATOM 0 HD3 ARG A 67 20.116 1.595 26.598 1.00 0.00 H new ATOM 0 HE ARG A 67 18.902 2.592 28.905 1.00 0.00 H new ATOM 0 HH11 ARG A 67 21.406 0.204 28.150 1.00 0.00 H new ATOM 0 HH12 ARG A 67 22.211 0.389 29.711 1.00 0.00 H new ATOM 0 HH21 ARG A 67 19.928 2.801 30.913 1.00 0.00 H new ATOM 0 HH22 ARG A 67 21.377 1.855 31.271 1.00 0.00 H new ATOM 919 N GLY A 68 15.315 3.477 25.670 1.00 0.00 N ATOM 920 CA GLY A 68 15.221 4.828 25.205 1.00 0.00 C ATOM 921 C GLY A 68 13.890 5.072 24.545 1.00 0.00 C ATOM 922 O GLY A 68 13.456 6.232 24.485 1.00 0.00 O ATOM 923 OXT GLY A 68 13.254 4.083 24.109 1.00 0.00 O ATOM 0 H GLY A 68 15.284 2.776 24.930 1.00 0.00 H new ATOM 0 HA2 GLY A 68 15.349 5.515 26.041 1.00 0.00 H new ATOM 0 HA3 GLY A 68 16.026 5.032 24.498 1.00 0.00 H new TER 927 GLY A 68