USER MOD reduce.3.24.130724 H: found=0, std=0, add=358, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 354 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 18 TYR OH : rot 30:sc= 1.33 USER MOD Set 1.2: A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.3: A 43 TYR OH : rot 180:sc= 0 USER MOD Set 1.4: A 47 HIS : no HE2:sc= 0.602 K(o=1.7,f=-4.2!) USER MOD Set 1.5: A 50 GLN : amide:sc= -0.218 K(o=1.7,f=0.13) USER MOD Single : A 1 SER N :NH3+ -143:sc= 0.0624 (180deg=0) USER MOD Single : A 1 SER OG : rot 43:sc= 0.273 USER MOD Single : A 11 MET CE :methyl -138:sc= -1.9 (180deg=-2.07) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0234 USER MOD Single : A 13 HIS : no HD1:sc= -0.0145 X(o=-0.014,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.0058) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 24 ASN : amide:sc= 0.349 X(o=0.35,f=0) USER MOD Single : A 29 GLN : amide:sc= -0.0785 X(o=-0.079,f=-0.079) USER MOD Single : A 40 ASN : amide:sc= -0.282 K(o=-0.28,f=-6.6!) USER MOD Single : A 44 THR OG1 : rot 59:sc= 1.28 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 4.898 1.289 -3.648 1.00 0.00 N ATOM 2 CA SER A 1 3.963 0.304 -4.180 1.00 0.00 C ATOM 3 C SER A 1 4.657 -1.034 -4.411 1.00 0.00 C ATOM 4 O SER A 1 5.502 -1.162 -5.297 1.00 0.00 O ATOM 5 CB SER A 1 3.349 0.807 -5.488 1.00 0.00 C ATOM 6 OG SER A 1 4.351 1.273 -6.375 1.00 0.00 O ATOM 0 H1 SER A 1 4.411 1.891 -2.954 1.00 0.00 H new ATOM 0 H2 SER A 1 5.691 0.800 -3.186 1.00 0.00 H new ATOM 0 H3 SER A 1 5.260 1.879 -4.424 1.00 0.00 H new ATOM 0 HA SER A 1 3.169 0.159 -3.447 1.00 0.00 H new ATOM 0 HB2 SER A 1 2.785 0.003 -5.961 1.00 0.00 H new ATOM 0 HB3 SER A 1 2.643 1.610 -5.277 1.00 0.00 H new ATOM 0 HG SER A 1 5.106 0.648 -6.373 1.00 0.00 H new ATOM 12 N GLU A 2 4.292 -2.029 -3.609 1.00 0.00 N ATOM 13 CA GLU A 2 4.881 -3.358 -3.726 1.00 0.00 C ATOM 14 C GLU A 2 4.382 -4.066 -4.982 1.00 0.00 C ATOM 15 O GLU A 2 3.352 -3.712 -5.557 1.00 0.00 O ATOM 16 CB GLU A 2 4.551 -4.197 -2.489 1.00 0.00 C ATOM 17 CG GLU A 2 5.544 -4.023 -1.352 1.00 0.00 C ATOM 18 CD GLU A 2 6.612 -5.100 -1.340 1.00 0.00 C ATOM 19 OE1 GLU A 2 6.248 -6.294 -1.290 1.00 0.00 O ATOM 20 OE2 GLU A 2 7.810 -4.750 -1.379 1.00 0.00 O ATOM 0 H GLU A 2 3.592 -1.940 -2.872 1.00 0.00 H new ATOM 0 HA GLU A 2 5.962 -3.243 -3.800 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.555 -3.930 -2.135 1.00 0.00 H new ATOM 0 HB3 GLU A 2 4.517 -5.249 -2.773 1.00 0.00 H new ATOM 0 HG2 GLU A 2 6.020 -3.046 -1.436 1.00 0.00 H new ATOM 0 HG3 GLU A 2 5.009 -4.036 -0.402 1.00 0.00 H new ATOM 27 N PRO A 3 5.128 -5.092 -5.419 1.00 0.00 N ATOM 28 CA PRO A 3 4.781 -5.871 -6.611 1.00 0.00 C ATOM 29 C PRO A 3 3.543 -6.736 -6.398 1.00 0.00 C ATOM 30 O PRO A 3 3.018 -6.821 -5.288 1.00 0.00 O ATOM 31 CB PRO A 3 6.015 -6.750 -6.831 1.00 0.00 C ATOM 32 CG PRO A 3 6.640 -6.871 -5.484 1.00 0.00 C ATOM 33 CD PRO A 3 6.368 -5.569 -4.783 1.00 0.00 C ATOM 0 HA PRO A 3 4.539 -5.231 -7.460 1.00 0.00 H new ATOM 0 HB2 PRO A 3 5.739 -7.727 -7.229 1.00 0.00 H new ATOM 0 HB3 PRO A 3 6.701 -6.297 -7.546 1.00 0.00 H new ATOM 0 HG2 PRO A 3 6.215 -7.708 -4.930 1.00 0.00 H new ATOM 0 HG3 PRO A 3 7.711 -7.054 -5.566 1.00 0.00 H new ATOM 0 HD2 PRO A 3 6.241 -5.709 -3.710 1.00 0.00 H new ATOM 0 HD3 PRO A 3 7.186 -4.862 -4.917 1.00 0.00 H new ATOM 41 N ASP A 4 3.082 -7.375 -7.467 1.00 0.00 N ATOM 42 CA ASP A 4 1.905 -8.233 -7.397 1.00 0.00 C ATOM 43 C ASP A 4 2.272 -9.684 -7.695 1.00 0.00 C ATOM 44 O ASP A 4 1.447 -10.455 -8.183 1.00 0.00 O ATOM 45 CB ASP A 4 0.838 -7.752 -8.381 1.00 0.00 C ATOM 46 CG ASP A 4 1.417 -7.394 -9.735 1.00 0.00 C ATOM 47 OD1 ASP A 4 1.838 -6.232 -9.911 1.00 0.00 O ATOM 48 OD2 ASP A 4 1.449 -8.276 -10.619 1.00 0.00 O ATOM 0 H ASP A 4 3.506 -7.315 -8.393 1.00 0.00 H new ATOM 0 HA ASP A 4 1.506 -8.178 -6.384 1.00 0.00 H new ATOM 0 HB2 ASP A 4 0.086 -8.531 -8.506 1.00 0.00 H new ATOM 0 HB3 ASP A 4 0.330 -6.882 -7.965 1.00 0.00 H new ATOM 53 N GLU A 5 3.516 -10.047 -7.398 1.00 0.00 N ATOM 54 CA GLU A 5 3.992 -11.405 -7.636 1.00 0.00 C ATOM 55 C GLU A 5 3.147 -12.420 -6.872 1.00 0.00 C ATOM 56 O GLU A 5 3.020 -13.573 -7.285 1.00 0.00 O ATOM 57 CB GLU A 5 5.460 -11.534 -7.224 1.00 0.00 C ATOM 58 CG GLU A 5 6.397 -10.644 -8.023 1.00 0.00 C ATOM 59 CD GLU A 5 6.669 -11.183 -9.414 1.00 0.00 C ATOM 60 OE1 GLU A 5 6.748 -12.420 -9.567 1.00 0.00 O ATOM 61 OE2 GLU A 5 6.801 -10.367 -10.350 1.00 0.00 O ATOM 0 H GLU A 5 4.212 -9.421 -6.993 1.00 0.00 H new ATOM 0 HA GLU A 5 3.902 -11.612 -8.702 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.554 -11.289 -6.166 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.771 -12.572 -7.340 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.965 -9.646 -8.102 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.340 -10.541 -7.486 1.00 0.00 H new ATOM 68 N ILE A 6 2.572 -11.982 -5.757 1.00 0.00 N ATOM 69 CA ILE A 6 1.738 -12.851 -4.936 1.00 0.00 C ATOM 70 C ILE A 6 0.513 -13.327 -5.709 1.00 0.00 C ATOM 71 O ILE A 6 0.191 -14.516 -5.713 1.00 0.00 O ATOM 72 CB ILE A 6 1.276 -12.138 -3.652 1.00 0.00 C ATOM 73 CG1 ILE A 6 2.474 -11.531 -2.920 1.00 0.00 C ATOM 74 CG2 ILE A 6 0.531 -13.108 -2.746 1.00 0.00 C ATOM 75 CD1 ILE A 6 3.537 -12.544 -2.556 1.00 0.00 C ATOM 0 H ILE A 6 2.668 -11.031 -5.402 1.00 0.00 H new ATOM 0 HA ILE A 6 2.350 -13.711 -4.664 1.00 0.00 H new ATOM 0 HB ILE A 6 0.596 -11.332 -3.927 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.919 -10.759 -3.547 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.124 -11.041 -2.011 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.211 -12.589 -1.842 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.342 -13.497 -3.270 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.190 -13.933 -2.476 1.00 0.00 H new ATOM 0 HD11 ILE A 6 4.356 -12.043 -2.040 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.107 -13.304 -1.903 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.915 -13.017 -3.463 1.00 0.00 H new ATOM 87 N CYS A 7 -0.167 -12.392 -6.364 1.00 0.00 N ATOM 88 CA CYS A 7 -1.357 -12.715 -7.142 1.00 0.00 C ATOM 89 C CYS A 7 -1.020 -13.675 -8.279 1.00 0.00 C ATOM 90 O CYS A 7 -1.847 -14.496 -8.678 1.00 0.00 O ATOM 91 CB CYS A 7 -1.984 -11.439 -7.707 1.00 0.00 C ATOM 92 SG CYS A 7 -2.424 -10.204 -6.443 1.00 0.00 S ATOM 0 H CYS A 7 0.086 -11.404 -6.371 1.00 0.00 H new ATOM 0 HA CYS A 7 -2.073 -13.201 -6.479 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -1.288 -10.987 -8.414 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.880 -11.705 -8.267 1.00 0.00 H new ATOM 97 N ARG A 8 0.200 -13.567 -8.796 1.00 0.00 N ATOM 98 CA ARG A 8 0.646 -14.425 -9.887 1.00 0.00 C ATOM 99 C ARG A 8 1.041 -15.804 -9.367 1.00 0.00 C ATOM 100 O ARG A 8 0.893 -16.807 -10.065 1.00 0.00 O ATOM 101 CB ARG A 8 1.830 -13.785 -10.615 1.00 0.00 C ATOM 102 CG ARG A 8 1.929 -14.180 -12.080 1.00 0.00 C ATOM 103 CD ARG A 8 3.313 -13.895 -12.641 1.00 0.00 C ATOM 104 NE ARG A 8 3.419 -12.538 -13.172 1.00 0.00 N ATOM 105 CZ ARG A 8 4.571 -11.969 -13.509 1.00 0.00 C ATOM 106 NH1 ARG A 8 5.709 -12.635 -13.371 1.00 0.00 N ATOM 107 NH2 ARG A 8 4.586 -10.731 -13.986 1.00 0.00 N ATOM 0 H ARG A 8 0.897 -12.894 -8.477 1.00 0.00 H new ATOM 0 HA ARG A 8 -0.182 -14.542 -10.586 1.00 0.00 H new ATOM 0 HB2 ARG A 8 1.746 -12.701 -10.545 1.00 0.00 H new ATOM 0 HB3 ARG A 8 2.753 -14.067 -10.108 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.703 -15.241 -12.188 1.00 0.00 H new ATOM 0 HG3 ARG A 8 1.182 -13.634 -12.656 1.00 0.00 H new ATOM 0 HD2 ARG A 8 4.058 -14.037 -11.858 1.00 0.00 H new ATOM 0 HD3 ARG A 8 3.539 -14.612 -13.430 1.00 0.00 H new ATOM 0 HE ARG A 8 2.562 -11.998 -13.290 1.00 0.00 H new ATOM 0 HH11 ARG A 8 5.702 -13.587 -13.005 1.00 0.00 H new ATOM 0 HH12 ARG A 8 6.592 -12.195 -13.631 1.00 0.00 H new ATOM 0 HH21 ARG A 8 3.713 -10.216 -14.094 1.00 0.00 H new ATOM 0 HH22 ARG A 8 5.471 -10.295 -14.245 1.00 0.00 H new ATOM 121 N ALA A 9 1.544 -15.846 -8.138 1.00 0.00 N ATOM 122 CA ALA A 9 1.957 -17.102 -7.524 1.00 0.00 C ATOM 123 C ALA A 9 0.748 -17.942 -7.124 1.00 0.00 C ATOM 124 O ALA A 9 0.830 -19.168 -7.047 1.00 0.00 O ATOM 125 CB ALA A 9 2.838 -16.833 -6.313 1.00 0.00 C ATOM 0 H ALA A 9 1.675 -15.025 -7.548 1.00 0.00 H new ATOM 0 HA ALA A 9 2.531 -17.665 -8.260 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.139 -17.780 -5.864 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.725 -16.281 -6.624 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.282 -16.246 -5.582 1.00 0.00 H new ATOM 131 N ARG A 10 -0.373 -17.274 -6.871 1.00 0.00 N ATOM 132 CA ARG A 10 -1.598 -17.960 -6.477 1.00 0.00 C ATOM 133 C ARG A 10 -2.273 -18.604 -7.684 1.00 0.00 C ATOM 134 O ARG A 10 -2.954 -19.621 -7.556 1.00 0.00 O ATOM 135 CB ARG A 10 -2.561 -16.980 -5.803 1.00 0.00 C ATOM 136 CG ARG A 10 -2.355 -16.860 -4.302 1.00 0.00 C ATOM 137 CD ARG A 10 -3.628 -16.414 -3.599 1.00 0.00 C ATOM 138 NE ARG A 10 -3.584 -16.680 -2.164 1.00 0.00 N ATOM 139 CZ ARG A 10 -2.898 -15.939 -1.300 1.00 0.00 C ATOM 140 NH1 ARG A 10 -2.204 -14.892 -1.724 1.00 0.00 N ATOM 141 NH2 ARG A 10 -2.907 -16.245 -0.009 1.00 0.00 N ATOM 0 H ARG A 10 -0.458 -16.259 -6.932 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.334 -18.745 -5.769 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.442 -15.996 -6.257 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.585 -17.299 -5.996 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.033 -17.821 -3.900 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.557 -16.146 -4.099 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.779 -15.347 -3.765 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.483 -16.929 -4.037 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.108 -17.478 -1.805 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.196 -14.653 -2.716 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.678 -14.325 -1.059 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.441 -17.049 0.321 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.380 -15.676 0.654 1.00 0.00 H new ATOM 155 N MET A 11 -2.079 -18.005 -8.854 1.00 0.00 N ATOM 156 CA MET A 11 -2.667 -18.522 -10.084 1.00 0.00 C ATOM 157 C MET A 11 -1.619 -19.241 -10.927 1.00 0.00 C ATOM 158 O MET A 11 -0.421 -19.146 -10.662 1.00 0.00 O ATOM 159 CB MET A 11 -3.296 -17.385 -10.892 1.00 0.00 C ATOM 160 CG MET A 11 -2.277 -16.422 -11.480 1.00 0.00 C ATOM 161 SD MET A 11 -2.940 -14.760 -11.704 1.00 0.00 S ATOM 162 CE MET A 11 -4.499 -15.123 -12.509 1.00 0.00 C ATOM 0 H MET A 11 -1.519 -17.161 -8.976 1.00 0.00 H new ATOM 0 HA MET A 11 -3.443 -19.238 -9.813 1.00 0.00 H new ATOM 0 HB2 MET A 11 -3.891 -17.810 -11.700 1.00 0.00 H new ATOM 0 HB3 MET A 11 -3.981 -16.830 -10.251 1.00 0.00 H new ATOM 0 HG2 MET A 11 -1.406 -16.376 -10.826 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.934 -16.805 -12.441 1.00 0.00 H new ATOM 0 HE1 MET A 11 -4.666 -14.410 -13.317 1.00 0.00 H new ATOM 0 HE2 MET A 11 -4.471 -16.134 -12.917 1.00 0.00 H new ATOM 0 HE3 MET A 11 -5.309 -15.046 -11.784 1.00 0.00 H new ATOM 172 N THR A 12 -2.079 -19.963 -11.945 1.00 0.00 N ATOM 173 CA THR A 12 -1.181 -20.699 -12.827 1.00 0.00 C ATOM 174 C THR A 12 -0.847 -19.887 -14.073 1.00 0.00 C ATOM 175 O THR A 12 -1.484 -18.872 -14.354 1.00 0.00 O ATOM 176 CB THR A 12 -1.794 -22.046 -13.254 1.00 0.00 C ATOM 177 OG1 THR A 12 -2.956 -21.822 -14.060 1.00 0.00 O ATOM 178 CG2 THR A 12 -2.167 -22.881 -12.039 1.00 0.00 C ATOM 0 H THR A 12 -3.068 -20.054 -12.179 1.00 0.00 H new ATOM 0 HA THR A 12 -0.267 -20.886 -12.264 1.00 0.00 H new ATOM 0 HB THR A 12 -1.049 -22.591 -13.834 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.339 -22.683 -14.329 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.598 -23.827 -12.366 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.275 -23.075 -11.443 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.896 -22.340 -11.436 1.00 0.00 H new ATOM 186 N HIS A 13 0.156 -20.342 -14.818 1.00 0.00 N ATOM 187 CA HIS A 13 0.575 -19.657 -16.036 1.00 0.00 C ATOM 188 C HIS A 13 -0.599 -19.485 -16.994 1.00 0.00 C ATOM 189 O HIS A 13 -0.815 -18.403 -17.540 1.00 0.00 O ATOM 190 CB HIS A 13 1.699 -20.434 -16.722 1.00 0.00 C ATOM 191 CG HIS A 13 2.976 -20.457 -15.941 1.00 0.00 C ATOM 192 ND1 HIS A 13 3.853 -21.521 -15.961 1.00 0.00 N ATOM 193 CD2 HIS A 13 3.524 -19.536 -15.114 1.00 0.00 C ATOM 194 CE1 HIS A 13 4.884 -21.255 -15.180 1.00 0.00 C ATOM 195 NE2 HIS A 13 4.709 -20.056 -14.654 1.00 0.00 N ATOM 0 H HIS A 13 0.693 -21.181 -14.600 1.00 0.00 H new ATOM 0 HA HIS A 13 0.943 -18.669 -15.760 1.00 0.00 H new ATOM 0 HB2 HIS A 13 1.369 -21.459 -16.893 1.00 0.00 H new ATOM 0 HB3 HIS A 13 1.889 -19.993 -17.700 1.00 0.00 H new ATOM 0 HD2 HIS A 13 3.107 -18.572 -14.863 1.00 0.00 H new ATOM 0 HE1 HIS A 13 5.727 -21.907 -15.002 1.00 0.00 H new ATOM 0 HE2 HIS A 13 5.350 -19.592 -14.011 1.00 0.00 H new ATOM 203 N LYS A 14 -1.356 -20.559 -17.193 1.00 0.00 N ATOM 204 CA LYS A 14 -2.509 -20.527 -18.085 1.00 0.00 C ATOM 205 C LYS A 14 -3.546 -19.519 -17.599 1.00 0.00 C ATOM 206 O LYS A 14 -4.083 -18.741 -18.385 1.00 0.00 O ATOM 207 CB LYS A 14 -3.141 -21.918 -18.183 1.00 0.00 C ATOM 208 CG LYS A 14 -4.295 -21.993 -19.168 1.00 0.00 C ATOM 209 CD LYS A 14 -4.501 -23.409 -19.679 1.00 0.00 C ATOM 210 CE LYS A 14 -5.398 -23.433 -20.907 1.00 0.00 C ATOM 211 NZ LYS A 14 -5.223 -24.683 -21.697 1.00 0.00 N ATOM 0 H LYS A 14 -1.192 -21.462 -16.749 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.165 -20.219 -19.073 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.376 -22.636 -18.478 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.496 -22.217 -17.197 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.208 -21.642 -18.687 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.101 -21.327 -20.008 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.536 -23.853 -19.923 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.943 -24.020 -18.892 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.439 -23.341 -20.598 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.175 -22.571 -21.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.851 -24.661 -22.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.235 -24.758 -22.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.460 -25.504 -21.104 1.00 0.00 H new ATOM 225 N GLU A 15 -3.819 -19.539 -16.298 1.00 0.00 N ATOM 226 CA GLU A 15 -4.790 -18.625 -15.708 1.00 0.00 C ATOM 227 C GLU A 15 -4.363 -17.174 -15.909 1.00 0.00 C ATOM 228 O GLU A 15 -5.184 -16.312 -16.224 1.00 0.00 O ATOM 229 CB GLU A 15 -4.958 -18.917 -14.215 1.00 0.00 C ATOM 230 CG GLU A 15 -6.204 -18.294 -13.609 1.00 0.00 C ATOM 231 CD GLU A 15 -6.454 -18.756 -12.187 1.00 0.00 C ATOM 232 OE1 GLU A 15 -6.249 -19.955 -11.907 1.00 0.00 O ATOM 233 OE2 GLU A 15 -6.856 -17.917 -11.353 1.00 0.00 O ATOM 0 H GLU A 15 -3.382 -20.177 -15.633 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.745 -18.777 -16.210 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.993 -19.996 -14.066 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.082 -18.550 -13.681 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.106 -17.208 -13.623 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.067 -18.544 -14.225 1.00 0.00 H new ATOM 240 N PHE A 16 -3.074 -16.912 -15.723 1.00 0.00 N ATOM 241 CA PHE A 16 -2.537 -15.565 -15.882 1.00 0.00 C ATOM 242 C PHE A 16 -2.730 -15.068 -17.312 1.00 0.00 C ATOM 243 O PHE A 16 -3.018 -13.894 -17.538 1.00 0.00 O ATOM 244 CB PHE A 16 -1.051 -15.540 -15.518 1.00 0.00 C ATOM 245 CG PHE A 16 -0.393 -14.214 -15.776 1.00 0.00 C ATOM 246 CD1 PHE A 16 -0.371 -13.235 -14.796 1.00 0.00 C ATOM 247 CD2 PHE A 16 0.202 -13.948 -16.999 1.00 0.00 C ATOM 248 CE1 PHE A 16 0.233 -12.014 -15.032 1.00 0.00 C ATOM 249 CE2 PHE A 16 0.808 -12.729 -17.239 1.00 0.00 C ATOM 250 CZ PHE A 16 0.824 -11.761 -16.254 1.00 0.00 C ATOM 0 H PHE A 16 -2.382 -17.614 -15.462 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.081 -14.902 -15.209 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.939 -15.793 -14.464 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.532 -16.311 -16.088 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.830 -13.428 -13.838 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.192 -14.701 -17.773 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.243 -11.258 -14.261 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.269 -12.534 -18.196 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.298 -10.808 -16.439 1.00 0.00 H new ATOM 260 N ASN A 17 -2.570 -15.972 -18.273 1.00 0.00 N ATOM 261 CA ASN A 17 -2.726 -15.626 -19.681 1.00 0.00 C ATOM 262 C ASN A 17 -4.180 -15.293 -20.002 1.00 0.00 C ATOM 263 O ASN A 17 -4.465 -14.330 -20.715 1.00 0.00 O ATOM 264 CB ASN A 17 -2.248 -16.778 -20.567 1.00 0.00 C ATOM 265 CG ASN A 17 -2.014 -16.346 -22.002 1.00 0.00 C ATOM 266 OD1 ASN A 17 -2.949 -16.269 -22.799 1.00 0.00 O ATOM 267 ND2 ASN A 17 -0.761 -16.062 -22.337 1.00 0.00 N ATOM 0 H ASN A 17 -2.333 -16.949 -18.102 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.117 -14.745 -19.882 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.324 -17.187 -20.159 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.987 -17.579 -20.548 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.542 -15.766 -23.288 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.017 -16.140 -21.643 1.00 0.00 H new ATOM 274 N TYR A 18 -5.096 -16.095 -19.470 1.00 0.00 N ATOM 275 CA TYR A 18 -6.520 -15.887 -19.701 1.00 0.00 C ATOM 276 C TYR A 18 -6.964 -14.525 -19.175 1.00 0.00 C ATOM 277 O TYR A 18 -7.561 -13.730 -19.902 1.00 0.00 O ATOM 278 CB TYR A 18 -7.334 -16.995 -19.030 1.00 0.00 C ATOM 279 CG TYR A 18 -8.825 -16.747 -19.049 1.00 0.00 C ATOM 280 CD1 TYR A 18 -9.441 -16.018 -18.038 1.00 0.00 C ATOM 281 CD2 TYR A 18 -9.619 -17.240 -20.077 1.00 0.00 C ATOM 282 CE1 TYR A 18 -10.803 -15.790 -18.051 1.00 0.00 C ATOM 283 CE2 TYR A 18 -10.982 -17.015 -20.099 1.00 0.00 C ATOM 284 CZ TYR A 18 -11.569 -16.290 -19.083 1.00 0.00 C ATOM 285 OH TYR A 18 -12.927 -16.063 -19.100 1.00 0.00 O ATOM 0 H TYR A 18 -4.877 -16.895 -18.876 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.696 -15.916 -20.776 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -7.125 -17.941 -19.530 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -7.005 -17.101 -17.996 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -8.844 -15.623 -17.229 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -9.163 -17.809 -20.873 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -11.266 -15.223 -17.257 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -11.584 -17.404 -20.907 1.00 0.00 H new ATOM 0 HH TYR A 18 -13.122 -15.213 -18.652 1.00 0.00 H new ATOM 295 N LYS A 19 -6.669 -14.263 -17.907 1.00 0.00 N ATOM 296 CA LYS A 19 -7.035 -12.998 -17.281 1.00 0.00 C ATOM 297 C LYS A 19 -6.487 -11.818 -18.077 1.00 0.00 C ATOM 298 O LYS A 19 -7.220 -10.887 -18.411 1.00 0.00 O ATOM 299 CB LYS A 19 -6.510 -12.945 -15.845 1.00 0.00 C ATOM 300 CG LYS A 19 -7.089 -14.023 -14.945 1.00 0.00 C ATOM 301 CD LYS A 19 -8.593 -13.869 -14.788 1.00 0.00 C ATOM 302 CE LYS A 19 -9.175 -14.959 -13.901 1.00 0.00 C ATOM 303 NZ LYS A 19 -10.575 -14.655 -13.495 1.00 0.00 N ATOM 0 H LYS A 19 -6.177 -14.911 -17.292 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.123 -12.930 -17.267 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.424 -13.041 -15.860 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.738 -11.968 -15.420 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.864 -15.005 -15.361 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.613 -13.975 -13.966 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.817 -12.892 -14.360 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.068 -13.904 -15.769 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.149 -15.911 -14.431 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.555 -15.073 -13.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.936 -15.421 -12.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -10.597 -13.759 -12.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -11.172 -14.572 -14.343 1.00 0.00 H new ATOM 317 N SER A 20 -5.193 -11.864 -18.381 1.00 0.00 N ATOM 318 CA SER A 20 -4.547 -10.798 -19.137 1.00 0.00 C ATOM 319 C SER A 20 -5.213 -10.616 -20.497 1.00 0.00 C ATOM 320 O SER A 20 -5.411 -9.493 -20.958 1.00 0.00 O ATOM 321 CB SER A 20 -3.059 -11.105 -19.322 1.00 0.00 C ATOM 322 OG SER A 20 -2.331 -9.930 -19.632 1.00 0.00 O ATOM 0 H SER A 20 -4.572 -12.628 -18.115 1.00 0.00 H new ATOM 0 HA SER A 20 -4.652 -9.871 -18.573 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.661 -11.554 -18.412 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.932 -11.837 -20.120 1.00 0.00 H new ATOM 0 HG SER A 20 -1.383 -10.152 -19.744 1.00 0.00 H new ATOM 328 N ASN A 21 -5.556 -11.731 -21.135 1.00 0.00 N ATOM 329 CA ASN A 21 -6.199 -11.696 -22.443 1.00 0.00 C ATOM 330 C ASN A 21 -7.468 -10.850 -22.403 1.00 0.00 C ATOM 331 O ASN A 21 -7.691 -10.004 -23.269 1.00 0.00 O ATOM 332 CB ASN A 21 -6.533 -13.115 -22.909 1.00 0.00 C ATOM 333 CG ASN A 21 -7.024 -13.152 -24.343 1.00 0.00 C ATOM 334 OD1 ASN A 21 -6.744 -12.248 -25.131 1.00 0.00 O ATOM 335 ND2 ASN A 21 -7.762 -14.201 -24.689 1.00 0.00 N ATOM 0 H ASN A 21 -5.399 -12.669 -20.767 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.504 -11.243 -23.150 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.647 -13.743 -22.815 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.296 -13.539 -22.256 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.121 -14.280 -25.640 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.970 -14.927 -24.003 1.00 0.00 H new ATOM 342 N VAL A 22 -8.298 -11.085 -21.391 1.00 0.00 N ATOM 343 CA VAL A 22 -9.544 -10.345 -21.237 1.00 0.00 C ATOM 344 C VAL A 22 -9.278 -8.895 -20.847 1.00 0.00 C ATOM 345 O VAL A 22 -9.996 -7.987 -21.266 1.00 0.00 O ATOM 346 CB VAL A 22 -10.453 -10.992 -20.174 1.00 0.00 C ATOM 347 CG1 VAL A 22 -11.814 -10.314 -20.152 1.00 0.00 C ATOM 348 CG2 VAL A 22 -10.595 -12.484 -20.432 1.00 0.00 C ATOM 0 H VAL A 22 -8.129 -11.782 -20.666 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.049 -10.372 -22.202 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.992 -10.858 -19.196 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -12.442 -10.784 -19.396 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -11.690 -9.257 -19.915 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.286 -10.414 -21.129 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.240 -12.925 -19.672 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.034 -12.643 -21.417 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.613 -12.955 -20.392 1.00 0.00 H new ATOM 358 N CYS A 23 -8.241 -8.685 -20.043 1.00 0.00 N ATOM 359 CA CYS A 23 -7.877 -7.346 -19.597 1.00 0.00 C ATOM 360 C CYS A 23 -7.689 -6.409 -20.787 1.00 0.00 C ATOM 361 O CYS A 23 -8.199 -5.290 -20.796 1.00 0.00 O ATOM 362 CB CYS A 23 -6.596 -7.394 -18.763 1.00 0.00 C ATOM 363 SG CYS A 23 -6.855 -7.892 -17.030 1.00 0.00 S ATOM 0 H CYS A 23 -7.637 -9.426 -19.687 1.00 0.00 H new ATOM 0 HA CYS A 23 -8.689 -6.962 -18.980 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.898 -8.089 -19.229 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.126 -6.410 -18.781 1.00 0.00 H new ATOM 368 N ASN A 24 -6.952 -6.876 -21.790 1.00 0.00 N ATOM 369 CA ASN A 24 -6.696 -6.081 -22.985 1.00 0.00 C ATOM 370 C ASN A 24 -7.987 -5.829 -23.759 1.00 0.00 C ATOM 371 O ASN A 24 -8.038 -4.971 -24.638 1.00 0.00 O ATOM 372 CB ASN A 24 -5.679 -6.787 -23.884 1.00 0.00 C ATOM 373 CG ASN A 24 -4.253 -6.598 -23.404 1.00 0.00 C ATOM 374 OD1 ASN A 24 -3.463 -5.893 -24.031 1.00 0.00 O ATOM 375 ND2 ASN A 24 -3.917 -7.230 -22.285 1.00 0.00 N ATOM 0 H ASN A 24 -6.522 -7.801 -21.799 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.289 -5.120 -22.671 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.909 -7.852 -23.921 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.771 -6.405 -24.901 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.971 -7.141 -21.913 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.605 -7.804 -21.798 1.00 0.00 H new ATOM 382 N GLY A 25 -9.028 -6.584 -23.423 1.00 0.00 N ATOM 383 CA GLY A 25 -10.306 -6.426 -24.092 1.00 0.00 C ATOM 384 C GLY A 25 -11.197 -5.408 -23.409 1.00 0.00 C ATOM 385 O GLY A 25 -11.961 -4.700 -24.067 1.00 0.00 O ATOM 0 H GLY A 25 -9.009 -7.302 -22.699 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.137 -6.121 -25.125 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -10.817 -7.388 -24.124 1.00 0.00 H new ATOM 389 N CYS A 26 -11.100 -5.332 -22.086 1.00 0.00 N ATOM 390 CA CYS A 26 -11.904 -4.394 -21.313 1.00 0.00 C ATOM 391 C CYS A 26 -11.813 -2.988 -21.899 1.00 0.00 C ATOM 392 O CYS A 26 -12.755 -2.202 -21.803 1.00 0.00 O ATOM 393 CB CYS A 26 -11.445 -4.380 -19.853 1.00 0.00 C ATOM 394 SG CYS A 26 -12.254 -3.107 -18.831 1.00 0.00 S ATOM 0 H CYS A 26 -10.472 -5.909 -21.527 1.00 0.00 H new ATOM 0 HA CYS A 26 -12.943 -4.721 -21.358 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -11.637 -5.359 -19.414 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -10.367 -4.223 -19.824 1.00 0.00 H new ATOM 399 N GLY A 27 -10.672 -2.679 -22.508 1.00 0.00 N ATOM 400 CA GLY A 27 -10.479 -1.368 -23.101 1.00 0.00 C ATOM 401 C GLY A 27 -9.130 -0.770 -22.757 1.00 0.00 C ATOM 402 O GLY A 27 -8.121 -1.475 -22.723 1.00 0.00 O ATOM 0 H GLY A 27 -9.878 -3.313 -22.601 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.573 -1.445 -24.184 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.268 -0.698 -22.759 1.00 0.00 H new ATOM 406 N ASP A 28 -9.109 0.534 -22.505 1.00 0.00 N ATOM 407 CA ASP A 28 -7.873 1.228 -22.162 1.00 0.00 C ATOM 408 C ASP A 28 -7.706 1.323 -20.649 1.00 0.00 C ATOM 409 O ASP A 28 -7.010 2.206 -20.147 1.00 0.00 O ATOM 410 CB ASP A 28 -7.861 2.627 -22.778 1.00 0.00 C ATOM 411 CG ASP A 28 -6.470 3.230 -22.817 1.00 0.00 C ATOM 412 OD1 ASP A 28 -5.519 2.504 -23.173 1.00 0.00 O ATOM 413 OD2 ASP A 28 -6.333 4.428 -22.491 1.00 0.00 O ATOM 0 H ASP A 28 -9.935 1.132 -22.532 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.039 0.655 -22.566 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -8.261 2.579 -23.791 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -8.521 3.279 -22.205 1.00 0.00 H new ATOM 418 N GLN A 29 -8.349 0.410 -19.928 1.00 0.00 N ATOM 419 CA GLN A 29 -8.272 0.393 -18.472 1.00 0.00 C ATOM 420 C GLN A 29 -7.491 -0.822 -17.982 1.00 0.00 C ATOM 421 O GLN A 29 -7.710 -1.307 -16.872 1.00 0.00 O ATOM 422 CB GLN A 29 -9.677 0.390 -17.866 1.00 0.00 C ATOM 423 CG GLN A 29 -9.941 1.562 -16.936 1.00 0.00 C ATOM 424 CD GLN A 29 -9.803 2.902 -17.631 1.00 0.00 C ATOM 425 OE1 GLN A 29 -8.964 3.724 -17.260 1.00 0.00 O ATOM 426 NE2 GLN A 29 -10.628 3.130 -18.646 1.00 0.00 N ATOM 0 H GLN A 29 -8.929 -0.327 -20.328 1.00 0.00 H new ATOM 0 HA GLN A 29 -7.747 1.293 -18.150 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -10.411 0.404 -18.672 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.824 -0.540 -17.316 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.946 1.473 -16.522 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -9.246 1.519 -16.097 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -11.308 2.421 -18.920 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.582 4.014 -19.152 1.00 0.00 H new ATOM 435 N VAL A 30 -6.580 -1.309 -18.818 1.00 0.00 N ATOM 436 CA VAL A 30 -5.765 -2.467 -18.470 1.00 0.00 C ATOM 437 C VAL A 30 -5.146 -2.306 -17.086 1.00 0.00 C ATOM 438 O VAL A 30 -5.186 -3.224 -16.266 1.00 0.00 O ATOM 439 CB VAL A 30 -4.642 -2.693 -19.499 1.00 0.00 C ATOM 440 CG1 VAL A 30 -3.759 -3.859 -19.079 1.00 0.00 C ATOM 441 CG2 VAL A 30 -5.228 -2.929 -20.883 1.00 0.00 C ATOM 0 H VAL A 30 -6.388 -0.920 -19.741 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.428 -3.333 -18.471 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.024 -1.796 -19.539 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.971 -4.004 -19.818 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.311 -3.645 -18.109 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.361 -4.765 -19.009 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.421 -3.087 -21.598 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.870 -3.809 -20.861 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.814 -2.060 -21.183 1.00 0.00 H new ATOM 451 N ALA A 31 -4.573 -1.134 -16.832 1.00 0.00 N ATOM 452 CA ALA A 31 -3.947 -0.852 -15.546 1.00 0.00 C ATOM 453 C ALA A 31 -4.894 -1.166 -14.393 1.00 0.00 C ATOM 454 O ALA A 31 -4.503 -1.790 -13.408 1.00 0.00 O ATOM 455 CB ALA A 31 -3.500 0.601 -15.484 1.00 0.00 C ATOM 0 H ALA A 31 -4.529 -0.364 -17.500 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.072 -1.494 -15.447 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.034 0.798 -14.518 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.781 0.795 -16.280 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.364 1.253 -15.609 1.00 0.00 H new ATOM 461 N ALA A 32 -6.142 -0.729 -14.524 1.00 0.00 N ATOM 462 CA ALA A 32 -7.146 -0.963 -13.493 1.00 0.00 C ATOM 463 C ALA A 32 -7.496 -2.444 -13.395 1.00 0.00 C ATOM 464 O ALA A 32 -7.780 -2.955 -12.311 1.00 0.00 O ATOM 465 CB ALA A 32 -8.394 -0.141 -13.774 1.00 0.00 C ATOM 0 H ALA A 32 -6.482 -0.211 -15.334 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.728 -0.651 -12.536 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -9.135 -0.326 -12.996 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -8.137 0.918 -13.786 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -8.806 -0.425 -14.742 1.00 0.00 H new ATOM 471 N CYS A 33 -7.475 -3.129 -14.534 1.00 0.00 N ATOM 472 CA CYS A 33 -7.792 -4.551 -14.577 1.00 0.00 C ATOM 473 C CYS A 33 -6.844 -5.347 -13.685 1.00 0.00 C ATOM 474 O CYS A 33 -7.265 -6.259 -12.974 1.00 0.00 O ATOM 475 CB CYS A 33 -7.713 -5.069 -16.015 1.00 0.00 C ATOM 476 SG CYS A 33 -8.293 -6.783 -16.221 1.00 0.00 S ATOM 0 H CYS A 33 -7.242 -2.722 -15.440 1.00 0.00 H new ATOM 0 HA CYS A 33 -8.808 -4.683 -14.206 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -8.305 -4.417 -16.658 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -6.680 -5.003 -16.357 1.00 0.00 H new ATOM 481 N GLU A 34 -5.563 -4.995 -13.730 1.00 0.00 N ATOM 482 CA GLU A 34 -4.555 -5.678 -12.927 1.00 0.00 C ATOM 483 C GLU A 34 -4.299 -4.927 -11.623 1.00 0.00 C ATOM 484 O GLU A 34 -3.588 -5.413 -10.744 1.00 0.00 O ATOM 485 CB GLU A 34 -3.250 -5.815 -13.714 1.00 0.00 C ATOM 486 CG GLU A 34 -3.440 -6.373 -15.114 1.00 0.00 C ATOM 487 CD GLU A 34 -2.307 -7.289 -15.535 1.00 0.00 C ATOM 488 OE1 GLU A 34 -1.207 -6.776 -15.828 1.00 0.00 O ATOM 489 OE2 GLU A 34 -2.520 -8.519 -15.572 1.00 0.00 O ATOM 0 H GLU A 34 -5.199 -4.242 -14.313 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.931 -6.672 -12.686 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.773 -4.837 -13.783 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.569 -6.464 -13.163 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.381 -6.921 -15.158 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.518 -5.548 -15.822 1.00 0.00 H new ATOM 496 N ALA A 35 -4.885 -3.740 -11.506 1.00 0.00 N ATOM 497 CA ALA A 35 -4.722 -2.922 -10.310 1.00 0.00 C ATOM 498 C ALA A 35 -5.019 -3.728 -9.050 1.00 0.00 C ATOM 499 O ALA A 35 -4.282 -3.653 -8.068 1.00 0.00 O ATOM 500 CB ALA A 35 -5.624 -1.699 -10.381 1.00 0.00 C ATOM 0 H ALA A 35 -5.477 -3.323 -12.225 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.684 -2.592 -10.263 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.492 -1.097 -9.482 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.363 -1.105 -11.257 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.664 -2.018 -10.455 1.00 0.00 H new ATOM 506 N GLU A 36 -6.102 -4.497 -9.086 1.00 0.00 N ATOM 507 CA GLU A 36 -6.496 -5.316 -7.945 1.00 0.00 C ATOM 508 C GLU A 36 -6.348 -6.801 -8.264 1.00 0.00 C ATOM 509 O GLU A 36 -7.094 -7.635 -7.752 1.00 0.00 O ATOM 510 CB GLU A 36 -7.940 -5.011 -7.544 1.00 0.00 C ATOM 511 CG GLU A 36 -8.105 -3.680 -6.829 1.00 0.00 C ATOM 512 CD GLU A 36 -7.772 -3.766 -5.352 1.00 0.00 C ATOM 513 OE1 GLU A 36 -8.645 -4.197 -4.571 1.00 0.00 O ATOM 514 OE2 GLU A 36 -6.637 -3.403 -4.979 1.00 0.00 O ATOM 0 H GLU A 36 -6.722 -4.570 -9.892 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.836 -5.073 -7.112 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.565 -5.014 -8.437 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.305 -5.809 -6.897 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.462 -2.937 -7.300 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.132 -3.333 -6.947 1.00 0.00 H new ATOM 521 N CYS A 37 -5.380 -7.124 -9.115 1.00 0.00 N ATOM 522 CA CYS A 37 -5.132 -8.507 -9.505 1.00 0.00 C ATOM 523 C CYS A 37 -6.390 -9.139 -10.093 1.00 0.00 C ATOM 524 O CYS A 37 -6.846 -10.186 -9.632 1.00 0.00 O ATOM 525 CB CYS A 37 -4.655 -9.320 -8.300 1.00 0.00 C ATOM 526 SG CYS A 37 -3.205 -8.613 -7.453 1.00 0.00 S ATOM 0 H CYS A 37 -4.754 -6.446 -9.548 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.354 -8.510 -10.268 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.474 -9.405 -7.586 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.413 -10.330 -8.630 1.00 0.00 H new ATOM 531 N PHE A 38 -6.947 -8.496 -11.115 1.00 0.00 N ATOM 532 CA PHE A 38 -8.153 -8.994 -11.765 1.00 0.00 C ATOM 533 C PHE A 38 -9.323 -9.032 -10.786 1.00 0.00 C ATOM 534 O PHE A 38 -10.324 -9.708 -11.024 1.00 0.00 O ATOM 535 CB PHE A 38 -7.909 -10.390 -12.341 1.00 0.00 C ATOM 536 CG PHE A 38 -6.625 -10.505 -13.110 1.00 0.00 C ATOM 537 CD1 PHE A 38 -6.256 -9.526 -14.018 1.00 0.00 C ATOM 538 CD2 PHE A 38 -5.786 -11.592 -12.926 1.00 0.00 C ATOM 539 CE1 PHE A 38 -5.074 -9.630 -14.728 1.00 0.00 C ATOM 540 CE2 PHE A 38 -4.603 -11.701 -13.633 1.00 0.00 C ATOM 541 CZ PHE A 38 -4.247 -10.718 -14.534 1.00 0.00 C ATOM 0 H PHE A 38 -6.582 -7.629 -11.510 1.00 0.00 H new ATOM 0 HA PHE A 38 -8.405 -8.313 -12.578 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -7.901 -11.114 -11.526 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -8.740 -10.655 -12.995 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -6.899 -8.672 -14.173 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -6.059 -12.364 -12.222 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.798 -8.861 -15.434 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.958 -12.554 -13.481 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.323 -10.800 -15.086 1.00 0.00 H new ATOM 551 N ARG A 39 -9.188 -8.303 -9.683 1.00 0.00 N ATOM 552 CA ARG A 39 -10.232 -8.254 -8.666 1.00 0.00 C ATOM 553 C ARG A 39 -10.750 -6.831 -8.487 1.00 0.00 C ATOM 554 O ARG A 39 -10.566 -6.221 -7.434 1.00 0.00 O ATOM 555 CB ARG A 39 -9.701 -8.787 -7.334 1.00 0.00 C ATOM 556 CG ARG A 39 -10.780 -9.376 -6.441 1.00 0.00 C ATOM 557 CD ARG A 39 -11.281 -10.709 -6.976 1.00 0.00 C ATOM 558 NE ARG A 39 -12.514 -11.134 -6.319 1.00 0.00 N ATOM 559 CZ ARG A 39 -13.703 -10.599 -6.571 1.00 0.00 C ATOM 560 NH1 ARG A 39 -13.820 -9.624 -7.461 1.00 0.00 N ATOM 561 NH2 ARG A 39 -14.779 -11.040 -5.932 1.00 0.00 N ATOM 0 H ARG A 39 -8.366 -7.738 -9.471 1.00 0.00 H new ATOM 0 HA ARG A 39 -11.058 -8.883 -8.998 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -8.948 -9.550 -7.532 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.202 -7.977 -6.801 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.386 -9.512 -5.434 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -11.613 -8.677 -6.366 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -11.452 -10.628 -8.049 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -10.513 -11.469 -6.832 1.00 0.00 H new ATOM 0 HE ARG A 39 -12.459 -11.883 -5.629 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -12.995 -9.282 -7.955 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -14.735 -9.215 -7.652 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -14.693 -11.791 -5.247 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -15.692 -10.628 -6.126 1.00 0.00 H new ATOM 575 N ASN A 40 -11.398 -6.307 -9.523 1.00 0.00 N ATOM 576 CA ASN A 40 -11.942 -4.955 -9.480 1.00 0.00 C ATOM 577 C ASN A 40 -13.231 -4.861 -10.290 1.00 0.00 C ATOM 578 O ASN A 40 -13.557 -5.761 -11.063 1.00 0.00 O ATOM 579 CB ASN A 40 -10.916 -3.953 -10.015 1.00 0.00 C ATOM 580 CG ASN A 40 -10.254 -4.431 -11.293 1.00 0.00 C ATOM 581 OD1 ASN A 40 -10.650 -4.045 -12.392 1.00 0.00 O ATOM 582 ND2 ASN A 40 -9.238 -5.275 -11.153 1.00 0.00 N ATOM 0 H ASN A 40 -11.559 -6.798 -10.402 1.00 0.00 H new ATOM 0 HA ASN A 40 -12.168 -4.714 -8.441 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -11.407 -2.997 -10.199 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -10.153 -3.779 -9.257 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.752 -5.630 -11.977 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -8.943 -5.568 -10.222 1.00 0.00 H new ATOM 589 N ASP A 41 -13.959 -3.765 -10.108 1.00 0.00 N ATOM 590 CA ASP A 41 -15.213 -3.552 -10.822 1.00 0.00 C ATOM 591 C ASP A 41 -14.962 -3.365 -12.315 1.00 0.00 C ATOM 592 O ASP A 41 -15.744 -3.823 -13.148 1.00 0.00 O ATOM 593 CB ASP A 41 -15.945 -2.333 -10.258 1.00 0.00 C ATOM 594 CG ASP A 41 -17.452 -2.487 -10.313 1.00 0.00 C ATOM 595 OD1 ASP A 41 -17.964 -3.502 -9.798 1.00 0.00 O ATOM 596 OD2 ASP A 41 -18.120 -1.592 -10.873 1.00 0.00 O ATOM 0 H ASP A 41 -13.703 -3.010 -9.472 1.00 0.00 H new ATOM 0 HA ASP A 41 -15.836 -4.436 -10.684 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -15.636 -2.173 -9.225 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -15.653 -1.445 -10.819 1.00 0.00 H new ATOM 601 N VAL A 42 -13.867 -2.687 -12.646 1.00 0.00 N ATOM 602 CA VAL A 42 -13.514 -2.439 -14.039 1.00 0.00 C ATOM 603 C VAL A 42 -13.459 -3.740 -14.832 1.00 0.00 C ATOM 604 O VAL A 42 -14.046 -3.847 -15.909 1.00 0.00 O ATOM 605 CB VAL A 42 -12.155 -1.722 -14.153 1.00 0.00 C ATOM 606 CG1 VAL A 42 -11.620 -1.818 -15.574 1.00 0.00 C ATOM 607 CG2 VAL A 42 -12.281 -0.270 -13.719 1.00 0.00 C ATOM 0 H VAL A 42 -13.210 -2.300 -11.969 1.00 0.00 H new ATOM 0 HA VAL A 42 -14.291 -1.797 -14.454 1.00 0.00 H new ATOM 0 HB VAL A 42 -11.446 -2.215 -13.488 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -10.660 -1.306 -15.637 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -11.491 -2.866 -15.844 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -12.326 -1.350 -16.261 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -11.312 0.221 -13.806 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -13.004 0.239 -14.356 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -12.618 -0.228 -12.683 1.00 0.00 H new ATOM 617 N TYR A 43 -12.750 -4.725 -14.293 1.00 0.00 N ATOM 618 CA TYR A 43 -12.617 -6.019 -14.952 1.00 0.00 C ATOM 619 C TYR A 43 -13.894 -6.840 -14.804 1.00 0.00 C ATOM 620 O TYR A 43 -14.349 -7.480 -15.753 1.00 0.00 O ATOM 621 CB TYR A 43 -11.431 -6.791 -14.370 1.00 0.00 C ATOM 622 CG TYR A 43 -11.334 -8.216 -14.866 1.00 0.00 C ATOM 623 CD1 TYR A 43 -11.216 -8.493 -16.223 1.00 0.00 C ATOM 624 CD2 TYR A 43 -11.361 -9.285 -13.980 1.00 0.00 C ATOM 625 CE1 TYR A 43 -11.127 -9.793 -16.681 1.00 0.00 C ATOM 626 CE2 TYR A 43 -11.272 -10.588 -14.429 1.00 0.00 C ATOM 627 CZ TYR A 43 -11.155 -10.837 -15.781 1.00 0.00 C ATOM 628 OH TYR A 43 -11.067 -12.134 -16.232 1.00 0.00 O ATOM 0 H TYR A 43 -12.259 -4.653 -13.402 1.00 0.00 H new ATOM 0 HA TYR A 43 -12.442 -5.842 -16.013 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -10.509 -6.265 -14.618 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -11.511 -6.798 -13.283 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -11.194 -7.678 -16.931 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -11.453 -9.094 -12.921 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -11.036 -9.991 -17.739 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -11.294 -11.407 -13.726 1.00 0.00 H new ATOM 0 HH TYR A 43 -11.101 -12.749 -15.469 1.00 0.00 H new ATOM 638 N THR A 44 -14.470 -6.816 -13.606 1.00 0.00 N ATOM 639 CA THR A 44 -15.695 -7.558 -13.332 1.00 0.00 C ATOM 640 C THR A 44 -16.810 -7.150 -14.288 1.00 0.00 C ATOM 641 O THR A 44 -17.641 -7.972 -14.674 1.00 0.00 O ATOM 642 CB THR A 44 -16.171 -7.340 -11.883 1.00 0.00 C ATOM 643 OG1 THR A 44 -15.170 -7.794 -10.965 1.00 0.00 O ATOM 644 CG2 THR A 44 -17.475 -8.078 -11.626 1.00 0.00 C ATOM 0 H THR A 44 -14.108 -6.291 -12.810 1.00 0.00 H new ATOM 0 HA THR A 44 -15.465 -8.614 -13.476 1.00 0.00 H new ATOM 0 HB THR A 44 -16.341 -6.273 -11.736 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.337 -7.301 -11.119 1.00 0.00 H new ATOM 0 HG21 THR A 44 -17.792 -7.910 -10.597 1.00 0.00 H new ATOM 0 HG22 THR A 44 -18.242 -7.709 -12.307 1.00 0.00 H new ATOM 0 HG23 THR A 44 -17.327 -9.145 -11.790 1.00 0.00 H new ATOM 652 N ALA A 45 -16.822 -5.877 -14.667 1.00 0.00 N ATOM 653 CA ALA A 45 -17.835 -5.361 -15.580 1.00 0.00 C ATOM 654 C ALA A 45 -17.526 -5.754 -17.021 1.00 0.00 C ATOM 655 O ALA A 45 -18.380 -6.295 -17.724 1.00 0.00 O ATOM 656 CB ALA A 45 -17.938 -3.848 -15.454 1.00 0.00 C ATOM 0 H ALA A 45 -16.142 -5.183 -14.356 1.00 0.00 H new ATOM 0 HA ALA A 45 -18.793 -5.803 -15.308 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -18.698 -3.477 -16.141 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -18.213 -3.586 -14.432 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -16.976 -3.396 -15.698 1.00 0.00 H new ATOM 662 N CYS A 46 -16.301 -5.479 -17.455 1.00 0.00 N ATOM 663 CA CYS A 46 -15.879 -5.802 -18.812 1.00 0.00 C ATOM 664 C CYS A 46 -15.983 -7.302 -19.072 1.00 0.00 C ATOM 665 O CYS A 46 -16.621 -7.734 -20.032 1.00 0.00 O ATOM 666 CB CYS A 46 -14.443 -5.330 -19.049 1.00 0.00 C ATOM 667 SG CYS A 46 -14.235 -3.521 -18.986 1.00 0.00 S ATOM 0 H CYS A 46 -15.582 -5.033 -16.885 1.00 0.00 H new ATOM 0 HA CYS A 46 -16.543 -5.284 -19.504 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -13.794 -5.786 -18.301 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -14.110 -5.690 -20.022 1.00 0.00 H new ATOM 672 N HIS A 47 -15.351 -8.091 -18.209 1.00 0.00 N ATOM 673 CA HIS A 47 -15.372 -9.543 -18.343 1.00 0.00 C ATOM 674 C HIS A 47 -16.803 -10.054 -18.486 1.00 0.00 C ATOM 675 O HIS A 47 -17.107 -10.824 -19.397 1.00 0.00 O ATOM 676 CB HIS A 47 -14.703 -10.198 -17.135 1.00 0.00 C ATOM 677 CG HIS A 47 -14.418 -11.656 -17.325 1.00 0.00 C ATOM 678 ND1 HIS A 47 -14.102 -12.504 -16.284 1.00 0.00 N ATOM 679 CD2 HIS A 47 -14.404 -12.417 -18.445 1.00 0.00 C ATOM 680 CE1 HIS A 47 -13.904 -13.722 -16.756 1.00 0.00 C ATOM 681 NE2 HIS A 47 -14.082 -13.696 -18.064 1.00 0.00 N ATOM 0 H HIS A 47 -14.818 -7.749 -17.409 1.00 0.00 H new ATOM 0 HA HIS A 47 -14.818 -9.808 -19.243 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -13.769 -9.679 -16.922 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -15.344 -10.072 -16.263 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -14.032 -12.233 -15.303 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -14.608 -12.080 -19.451 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -13.641 -14.591 -16.171 1.00 0.00 H new ATOM 689 N GLU A 48 -17.674 -9.621 -17.581 1.00 0.00 N ATOM 690 CA GLU A 48 -19.072 -10.037 -17.607 1.00 0.00 C ATOM 691 C GLU A 48 -19.717 -9.696 -18.947 1.00 0.00 C ATOM 692 O GLU A 48 -20.653 -10.363 -19.385 1.00 0.00 O ATOM 693 CB GLU A 48 -19.847 -9.368 -16.470 1.00 0.00 C ATOM 694 CG GLU A 48 -19.654 -10.043 -15.122 1.00 0.00 C ATOM 695 CD GLU A 48 -20.245 -11.439 -15.079 1.00 0.00 C ATOM 696 OE1 GLU A 48 -21.242 -11.684 -15.789 1.00 0.00 O ATOM 697 OE2 GLU A 48 -19.708 -12.287 -14.335 1.00 0.00 O ATOM 0 H GLU A 48 -17.437 -8.983 -16.821 1.00 0.00 H new ATOM 0 HA GLU A 48 -19.105 -11.118 -17.473 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -19.536 -8.326 -16.393 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -20.909 -9.366 -16.717 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -18.589 -10.096 -14.896 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -20.115 -9.433 -14.345 1.00 0.00 H new ATOM 704 N ALA A 49 -19.208 -8.651 -19.592 1.00 0.00 N ATOM 705 CA ALA A 49 -19.733 -8.221 -20.882 1.00 0.00 C ATOM 706 C ALA A 49 -18.805 -8.636 -22.019 1.00 0.00 C ATOM 707 O ALA A 49 -18.875 -8.090 -23.119 1.00 0.00 O ATOM 708 CB ALA A 49 -19.940 -6.713 -20.892 1.00 0.00 C ATOM 0 H ALA A 49 -18.433 -8.087 -19.242 1.00 0.00 H new ATOM 0 HA ALA A 49 -20.695 -8.710 -21.036 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -20.332 -6.406 -21.861 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -20.648 -6.438 -20.110 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -18.988 -6.214 -20.711 1.00 0.00 H new ATOM 714 N GLN A 50 -17.937 -9.604 -21.744 1.00 0.00 N ATOM 715 CA GLN A 50 -16.994 -10.091 -22.744 1.00 0.00 C ATOM 716 C GLN A 50 -17.729 -10.656 -23.955 1.00 0.00 C ATOM 717 O GLN A 50 -18.875 -11.092 -23.851 1.00 0.00 O ATOM 718 CB GLN A 50 -16.084 -11.161 -22.140 1.00 0.00 C ATOM 719 CG GLN A 50 -16.803 -12.462 -21.821 1.00 0.00 C ATOM 720 CD GLN A 50 -15.889 -13.496 -21.194 1.00 0.00 C ATOM 721 OE1 GLN A 50 -14.671 -13.450 -21.366 1.00 0.00 O ATOM 722 NE2 GLN A 50 -16.474 -14.437 -20.462 1.00 0.00 N ATOM 0 H GLN A 50 -17.867 -10.066 -20.838 1.00 0.00 H new ATOM 0 HA GLN A 50 -16.384 -9.249 -23.072 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -15.269 -11.367 -22.834 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -15.635 -10.771 -21.227 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -17.632 -12.258 -21.144 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -17.232 -12.869 -22.736 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -17.487 -14.437 -20.346 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -15.910 -15.160 -20.016 1.00 0.00 H new ATOM 731 N LYS A 51 -17.061 -10.644 -25.104 1.00 0.00 N ATOM 732 CA LYS A 51 -17.650 -11.156 -26.336 1.00 0.00 C ATOM 733 C LYS A 51 -17.341 -12.639 -26.512 1.00 0.00 C ATOM 734 O LYS A 51 -16.246 -13.098 -26.186 1.00 0.00 O ATOM 735 CB LYS A 51 -17.127 -10.369 -27.540 1.00 0.00 C ATOM 736 CG LYS A 51 -17.331 -8.868 -27.422 1.00 0.00 C ATOM 737 CD LYS A 51 -17.024 -8.159 -28.730 1.00 0.00 C ATOM 738 CE LYS A 51 -18.227 -8.160 -29.661 1.00 0.00 C ATOM 739 NZ LYS A 51 -18.161 -7.053 -30.654 1.00 0.00 N ATOM 0 H LYS A 51 -16.112 -10.285 -25.208 1.00 0.00 H new ATOM 0 HA LYS A 51 -18.731 -11.034 -26.271 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -16.064 -10.574 -27.663 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -17.627 -10.725 -28.441 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -18.360 -8.662 -27.128 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -16.689 -8.474 -26.634 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -16.722 -7.132 -28.526 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -16.182 -8.648 -29.221 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -18.280 -9.115 -30.184 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -19.141 -8.067 -29.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -18.999 -7.088 -31.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -18.136 -6.141 -30.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -17.302 -7.156 -31.232 1.00 0.00 H new TER 753 LYS A 51