USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 398 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 24 HIS : no HE2:sc= -0.105 K(o=1.1,f=-8.8!) USER MOD Set 1.2: A 35 LYS NZ :NH3+ -161:sc= 1.24 (180deg=-0.0341) USER MOD Set 2.1: A 30 GLN : amide:sc= 0.997 K(o=5.2,f=0.9) USER MOD Set 2.2: A 32 TYR OH : rot 80:sc= 2.22 USER MOD Set 2.3: A 40 LYS NZ :NH3+ 159:sc= 1.99 (180deg=0.0789) USER MOD Single : A 1 GLN : amide:sc= 0.703 K(o=0.7,f=-9!) USER MOD Single : A 1 GLN N :NH3+ -168:sc= 1.97 (180deg=1.85) USER MOD Single : A 4 GLN : amide:sc=-0.00797! C(o=-0.008!,f=-3.8!) USER MOD Single : A 11 GLN : amide:sc= -0.904 X(o=-0.9,f=-1.3!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 178:sc= 1.5 (180deg=1.32) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.0422 USER MOD Single : A 21 SER OG : rot -33:sc= 0.579 USER MOD Single : A 22 ASN : amide:sc= -1.06 K(o=-1.1,f=-2.5!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -17:sc= 1.14 USER MOD Single : A 34 ASN : amide:sc= -1.63! C(o=-1.6!,f=-7.7!) USER MOD Single : A 44 LYS NZ :NH3+ -121:sc= 0.42 (180deg=-0.419!) USER MOD Single : A 45 SER OG : rot 180:sc= -0.29 USER MOD Single : A 48 LYS NZ :NH3+ 159:sc= 2.41 (180deg=1.39) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -161:sc= 1.92 (180deg=1.54) USER MOD Single : A 53 HIS : no HE2:sc= 0.608 K(o=0.61,f=-3!) USER MOD Single : A 56 LYS NZ :NH3+ 147:sc= 0.431 (180deg=-1.95!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -1.863 5.744 4.364 1.00 0.00 N ATOM 2 CA GLN A 1 -2.802 5.442 3.275 1.00 0.00 C ATOM 3 C GLN A 1 -3.170 6.738 2.638 1.00 0.00 C ATOM 4 O GLN A 1 -3.419 7.706 3.347 1.00 0.00 O ATOM 5 CB GLN A 1 -4.069 4.684 3.771 1.00 0.00 C ATOM 6 CG GLN A 1 -3.924 3.149 3.979 1.00 0.00 C ATOM 7 CD GLN A 1 -2.974 2.708 5.096 1.00 0.00 C ATOM 8 OE1 GLN A 1 -2.001 3.376 5.410 1.00 0.00 O ATOM 9 NE2 GLN A 1 -3.254 1.582 5.689 1.00 0.00 N ATOM 0 H1 GLN A 1 -1.427 4.862 4.701 1.00 0.00 H new ATOM 0 H2 GLN A 1 -1.122 6.386 4.016 1.00 0.00 H new ATOM 0 H3 GLN A 1 -2.374 6.198 5.147 1.00 0.00 H new ATOM 0 HA GLN A 1 -2.324 4.774 2.558 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -4.384 5.128 4.715 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -4.872 4.857 3.054 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -4.911 2.736 4.185 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -3.582 2.707 3.043 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -4.074 1.046 5.405 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -2.653 1.237 6.437 1.00 0.00 H new ATOM 18 N GLY A 2 -3.168 6.783 1.318 1.00 0.00 N ATOM 19 CA GLY A 2 -3.341 8.045 0.623 1.00 0.00 C ATOM 20 C GLY A 2 -2.000 8.729 0.577 1.00 0.00 C ATOM 21 O GLY A 2 -1.369 8.810 -0.458 1.00 0.00 O ATOM 0 H GLY A 2 -3.050 5.971 0.712 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -3.720 7.878 -0.385 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -4.071 8.669 1.139 1.00 0.00 H new ATOM 25 N GLY A 3 -1.562 9.149 1.732 1.00 0.00 N ATOM 26 CA GLY A 3 -0.249 9.671 1.906 1.00 0.00 C ATOM 27 C GLY A 3 0.512 8.751 2.835 1.00 0.00 C ATOM 28 O GLY A 3 -0.093 7.798 3.420 1.00 0.00 O ATOM 0 H GLY A 3 -2.120 9.135 2.586 1.00 0.00 H new ATOM 0 HA2 GLY A 3 0.260 9.745 0.945 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -0.293 10.678 2.322 1.00 0.00 H new ATOM 32 N GLN A 4 1.790 8.965 2.961 1.00 0.00 N ATOM 33 CA GLN A 4 2.610 8.181 3.839 1.00 0.00 C ATOM 34 C GLN A 4 2.406 8.632 5.286 1.00 0.00 C ATOM 35 O GLN A 4 2.391 9.831 5.581 1.00 0.00 O ATOM 36 CB GLN A 4 4.105 8.255 3.425 1.00 0.00 C ATOM 37 CG GLN A 4 4.821 9.609 3.636 1.00 0.00 C ATOM 38 CD GLN A 4 4.244 10.767 2.830 1.00 0.00 C ATOM 39 OE1 GLN A 4 3.707 10.585 1.746 1.00 0.00 O ATOM 40 NE2 GLN A 4 4.339 11.953 3.362 1.00 0.00 N ATOM 0 H GLN A 4 2.295 9.692 2.455 1.00 0.00 H new ATOM 0 HA GLN A 4 2.307 7.137 3.760 1.00 0.00 H new ATOM 0 HB2 GLN A 4 4.650 7.492 3.982 1.00 0.00 H new ATOM 0 HB3 GLN A 4 4.179 7.993 2.370 1.00 0.00 H new ATOM 0 HG2 GLN A 4 4.780 9.865 4.695 1.00 0.00 H new ATOM 0 HG3 GLN A 4 5.873 9.492 3.377 1.00 0.00 H new ATOM 0 HE21 GLN A 4 4.793 12.071 4.268 1.00 0.00 H new ATOM 0 HE22 GLN A 4 3.959 12.763 2.873 1.00 0.00 H new ATOM 49 N VAL A 5 2.207 7.687 6.159 1.00 0.00 N ATOM 50 CA VAL A 5 2.011 7.957 7.546 1.00 0.00 C ATOM 51 C VAL A 5 2.561 6.749 8.280 1.00 0.00 C ATOM 52 O VAL A 5 2.628 5.666 7.671 1.00 0.00 O ATOM 53 CB VAL A 5 0.509 8.131 7.835 1.00 0.00 C ATOM 54 CG1 VAL A 5 -0.232 6.794 7.782 1.00 0.00 C ATOM 55 CG2 VAL A 5 0.289 8.871 9.129 1.00 0.00 C ATOM 0 H VAL A 5 2.177 6.696 5.920 1.00 0.00 H new ATOM 0 HA VAL A 5 2.510 8.873 7.862 1.00 0.00 H new ATOM 0 HB VAL A 5 0.080 8.747 7.045 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.290 6.956 7.991 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.121 6.355 6.790 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.186 6.117 8.527 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.781 8.980 9.309 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.740 8.312 9.949 1.00 0.00 H new ATOM 0 HG23 VAL A 5 0.749 9.857 9.067 1.00 0.00 H new ATOM 65 N ASP A 6 2.969 6.891 9.517 1.00 0.00 N ATOM 66 CA ASP A 6 3.592 5.769 10.173 1.00 0.00 C ATOM 67 C ASP A 6 3.050 5.418 11.544 1.00 0.00 C ATOM 68 O ASP A 6 3.126 6.205 12.476 1.00 0.00 O ATOM 69 CB ASP A 6 5.097 5.951 10.264 1.00 0.00 C ATOM 70 CG ASP A 6 5.789 4.745 10.880 1.00 0.00 C ATOM 71 OD1 ASP A 6 5.913 4.682 12.130 1.00 0.00 O ATOM 72 OD2 ASP A 6 6.171 3.843 10.131 1.00 0.00 O ATOM 0 H ASP A 6 2.886 7.741 10.074 1.00 0.00 H new ATOM 0 HA ASP A 6 3.338 4.927 9.529 1.00 0.00 H new ATOM 0 HB2 ASP A 6 5.500 6.128 9.267 1.00 0.00 H new ATOM 0 HB3 ASP A 6 5.318 6.837 10.859 1.00 0.00 H new ATOM 77 N CYS A 7 2.403 4.296 11.612 1.00 0.00 N ATOM 78 CA CYS A 7 2.273 3.573 12.864 1.00 0.00 C ATOM 79 C CYS A 7 3.012 2.292 12.703 1.00 0.00 C ATOM 80 O CYS A 7 2.450 1.203 12.725 1.00 0.00 O ATOM 81 CB CYS A 7 0.844 3.399 13.327 1.00 0.00 C ATOM 82 SG CYS A 7 0.026 4.978 13.802 1.00 0.00 S ATOM 0 H CYS A 7 1.949 3.849 10.815 1.00 0.00 H new ATOM 0 HA CYS A 7 2.710 4.156 13.674 1.00 0.00 H new ATOM 0 HB2 CYS A 7 0.268 2.926 12.531 1.00 0.00 H new ATOM 0 HB3 CYS A 7 0.827 2.720 14.179 1.00 0.00 H new ATOM 87 N GLY A 8 4.317 2.475 12.510 1.00 0.00 N ATOM 88 CA GLY A 8 5.278 1.432 12.220 1.00 0.00 C ATOM 89 C GLY A 8 5.507 0.482 13.345 1.00 0.00 C ATOM 90 O GLY A 8 6.257 -0.483 13.194 1.00 0.00 O ATOM 0 H GLY A 8 4.745 3.400 12.555 1.00 0.00 H new ATOM 0 HA2 GLY A 8 4.937 0.871 11.350 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.228 1.894 11.950 1.00 0.00 H new ATOM 94 N GLU A 9 4.899 0.751 14.500 1.00 0.00 N ATOM 95 CA GLU A 9 4.896 -0.198 15.543 1.00 0.00 C ATOM 96 C GLU A 9 4.109 -1.391 15.017 1.00 0.00 C ATOM 97 O GLU A 9 4.473 -2.536 15.250 1.00 0.00 O ATOM 98 CB GLU A 9 4.248 0.388 16.753 1.00 0.00 C ATOM 99 CG GLU A 9 4.997 1.525 17.438 1.00 0.00 C ATOM 100 CD GLU A 9 4.369 1.885 18.778 1.00 0.00 C ATOM 101 OE1 GLU A 9 3.307 2.536 18.818 1.00 0.00 O ATOM 102 OE2 GLU A 9 4.895 1.475 19.826 1.00 0.00 O ATOM 0 H GLU A 9 4.412 1.623 14.709 1.00 0.00 H new ATOM 0 HA GLU A 9 5.903 -0.498 15.834 1.00 0.00 H new ATOM 0 HB2 GLU A 9 3.260 0.751 16.470 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.098 -0.410 17.481 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.037 1.237 17.589 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.000 2.402 16.790 1.00 0.00 H new ATOM 109 N PHE A 10 2.997 -1.053 14.300 1.00 0.00 N ATOM 110 CA PHE A 10 2.217 -1.987 13.415 1.00 0.00 C ATOM 111 C PHE A 10 1.870 -3.318 14.092 1.00 0.00 C ATOM 112 O PHE A 10 1.745 -4.362 13.462 1.00 0.00 O ATOM 113 CB PHE A 10 3.104 -2.269 12.266 1.00 0.00 C ATOM 114 CG PHE A 10 2.437 -2.784 11.006 1.00 0.00 C ATOM 115 CD1 PHE A 10 1.633 -1.947 10.248 1.00 0.00 C ATOM 116 CD2 PHE A 10 2.632 -4.090 10.573 1.00 0.00 C ATOM 117 CE1 PHE A 10 1.033 -2.400 9.091 1.00 0.00 C ATOM 118 CE2 PHE A 10 2.030 -4.548 9.418 1.00 0.00 C ATOM 119 CZ PHE A 10 1.231 -3.702 8.675 1.00 0.00 C ATOM 0 H PHE A 10 2.607 -0.111 14.317 1.00 0.00 H new ATOM 0 HA PHE A 10 1.269 -1.521 13.146 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.642 -1.354 12.018 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.848 -3.000 12.581 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.474 -0.927 10.567 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.262 -4.754 11.146 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.409 -1.737 8.511 1.00 0.00 H new ATOM 0 HE2 PHE A 10 2.184 -5.567 9.096 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.762 -4.058 7.770 1.00 0.00 H new ATOM 129 N GLN A 11 1.687 -3.243 15.341 1.00 0.00 N ATOM 130 CA GLN A 11 1.375 -4.405 16.197 1.00 0.00 C ATOM 131 C GLN A 11 0.073 -5.094 15.850 1.00 0.00 C ATOM 132 O GLN A 11 -0.235 -6.201 16.294 1.00 0.00 O ATOM 133 CB GLN A 11 1.481 -4.000 17.608 1.00 0.00 C ATOM 134 CG GLN A 11 2.878 -3.565 17.862 1.00 0.00 C ATOM 135 CD GLN A 11 3.254 -3.292 19.307 1.00 0.00 C ATOM 136 OE1 GLN A 11 2.448 -2.897 20.123 1.00 0.00 O ATOM 137 NE2 GLN A 11 4.505 -3.492 19.620 1.00 0.00 N ATOM 0 H GLN A 11 1.742 -2.364 15.856 1.00 0.00 H new ATOM 0 HA GLN A 11 2.114 -5.183 16.005 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.785 -3.189 17.824 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.216 -4.830 18.263 1.00 0.00 H new ATOM 0 HG2 GLN A 11 3.549 -4.332 17.475 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.063 -2.659 17.285 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.161 -3.825 18.913 1.00 0.00 H new ATOM 0 HE22 GLN A 11 4.827 -3.316 20.572 1.00 0.00 H new ATOM 146 N ASP A 12 -0.648 -4.414 15.091 1.00 0.00 N ATOM 147 CA ASP A 12 -1.787 -4.861 14.443 1.00 0.00 C ATOM 148 C ASP A 12 -1.700 -4.241 13.067 1.00 0.00 C ATOM 149 O ASP A 12 -1.231 -3.111 12.907 1.00 0.00 O ATOM 150 CB ASP A 12 -2.977 -4.386 15.165 1.00 0.00 C ATOM 151 CG ASP A 12 -4.316 -4.885 14.625 1.00 0.00 C ATOM 152 OD1 ASP A 12 -4.854 -4.278 13.694 1.00 0.00 O ATOM 153 OD2 ASP A 12 -4.884 -5.870 15.176 1.00 0.00 O ATOM 0 H ASP A 12 -0.441 -3.437 14.885 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.860 -5.947 14.393 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.891 -4.687 16.209 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.981 -3.296 15.147 1.00 0.00 H new ATOM 158 N THR A 13 -2.127 -4.961 12.141 1.00 0.00 N ATOM 159 CA THR A 13 -1.958 -4.664 10.718 1.00 0.00 C ATOM 160 C THR A 13 -2.695 -3.407 10.226 1.00 0.00 C ATOM 161 O THR A 13 -2.215 -2.713 9.337 1.00 0.00 O ATOM 162 CB THR A 13 -2.355 -5.888 9.855 1.00 0.00 C ATOM 163 OG1 THR A 13 -2.036 -5.671 8.476 1.00 0.00 O ATOM 164 CG2 THR A 13 -3.845 -6.226 9.985 1.00 0.00 C ATOM 0 H THR A 13 -2.636 -5.828 12.311 1.00 0.00 H new ATOM 0 HA THR A 13 -0.897 -4.445 10.599 1.00 0.00 H new ATOM 0 HB THR A 13 -1.778 -6.733 10.231 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.295 -6.458 7.953 1.00 0.00 H new ATOM 0 HG21 THR A 13 -4.078 -7.090 9.363 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.077 -6.455 11.025 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.441 -5.374 9.659 1.00 0.00 H new ATOM 172 N LYS A 14 -3.838 -3.136 10.777 1.00 0.00 N ATOM 173 CA LYS A 14 -4.655 -2.018 10.328 1.00 0.00 C ATOM 174 C LYS A 14 -4.271 -0.704 11.031 1.00 0.00 C ATOM 175 O LYS A 14 -4.992 0.292 10.943 1.00 0.00 O ATOM 176 CB LYS A 14 -6.104 -2.363 10.625 1.00 0.00 C ATOM 177 CG LYS A 14 -6.453 -2.307 12.101 1.00 0.00 C ATOM 178 CD LYS A 14 -7.889 -2.696 12.379 1.00 0.00 C ATOM 179 CE LYS A 14 -8.144 -2.705 13.877 1.00 0.00 C ATOM 180 NZ LYS A 14 -7.309 -3.719 14.567 1.00 0.00 N ATOM 0 H LYS A 14 -4.241 -3.671 11.546 1.00 0.00 H new ATOM 0 HA LYS A 14 -4.496 -1.861 9.261 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.751 -1.675 10.081 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.315 -3.364 10.248 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.788 -2.972 12.652 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.276 -1.298 12.474 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.566 -1.995 11.891 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.095 -3.681 11.961 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.933 -1.718 14.289 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.198 -2.911 14.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.484 -3.674 15.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.553 -4.667 14.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.304 -3.528 14.379 1.00 0.00 H new ATOM 194 N VAL A 15 -3.151 -0.695 11.703 1.00 0.00 N ATOM 195 CA VAL A 15 -2.784 0.448 12.491 1.00 0.00 C ATOM 196 C VAL A 15 -1.867 1.420 11.735 1.00 0.00 C ATOM 197 O VAL A 15 -0.673 1.192 11.572 1.00 0.00 O ATOM 198 CB VAL A 15 -2.149 0.028 13.825 1.00 0.00 C ATOM 199 CG1 VAL A 15 -1.956 1.209 14.722 1.00 0.00 C ATOM 200 CG2 VAL A 15 -2.988 -1.007 14.518 1.00 0.00 C ATOM 0 H VAL A 15 -2.480 -1.463 11.720 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.710 0.983 12.703 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.174 -0.405 13.602 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.505 0.884 15.660 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.301 1.932 14.236 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.921 1.673 14.925 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.516 -1.287 15.460 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.979 -0.599 14.716 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.079 -1.887 13.882 1.00 0.00 H new ATOM 210 N TYR A 16 -2.474 2.451 11.249 1.00 0.00 N ATOM 211 CA TYR A 16 -1.845 3.576 10.607 1.00 0.00 C ATOM 212 C TYR A 16 -2.574 4.797 11.173 1.00 0.00 C ATOM 213 O TYR A 16 -3.730 4.671 11.622 1.00 0.00 O ATOM 214 CB TYR A 16 -2.090 3.493 9.080 1.00 0.00 C ATOM 215 CG TYR A 16 -3.551 3.698 8.653 1.00 0.00 C ATOM 216 CD1 TYR A 16 -4.486 2.675 8.771 1.00 0.00 C ATOM 217 CD2 TYR A 16 -3.989 4.927 8.160 1.00 0.00 C ATOM 218 CE1 TYR A 16 -5.805 2.865 8.409 1.00 0.00 C ATOM 219 CE2 TYR A 16 -5.308 5.124 7.803 1.00 0.00 C ATOM 220 CZ TYR A 16 -6.211 4.091 7.930 1.00 0.00 C ATOM 221 OH TYR A 16 -7.529 4.289 7.588 1.00 0.00 O ATOM 0 H TYR A 16 -3.489 2.544 11.288 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.769 3.613 10.778 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.472 4.243 8.585 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -1.755 2.519 8.724 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -4.175 1.714 9.153 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -3.284 5.739 8.056 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -6.515 2.056 8.501 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -5.631 6.083 7.426 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.650 5.208 7.269 1.00 0.00 H new ATOM 231 N CYS A 17 -1.967 5.934 11.189 1.00 0.00 N ATOM 232 CA CYS A 17 -2.637 7.073 11.704 1.00 0.00 C ATOM 233 C CYS A 17 -2.912 8.119 10.650 1.00 0.00 C ATOM 234 O CYS A 17 -2.739 7.904 9.460 1.00 0.00 O ATOM 235 CB CYS A 17 -1.813 7.664 12.819 1.00 0.00 C ATOM 236 SG CYS A 17 -0.220 8.423 12.340 1.00 0.00 S ATOM 0 H CYS A 17 -1.017 6.097 10.855 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.608 6.746 12.077 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -2.414 8.421 13.323 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.612 6.879 13.548 1.00 0.00 H new ATOM 241 N THR A 18 -3.429 9.202 11.118 1.00 0.00 N ATOM 242 CA THR A 18 -3.595 10.398 10.389 1.00 0.00 C ATOM 243 C THR A 18 -3.410 11.482 11.354 1.00 0.00 C ATOM 244 O THR A 18 -3.512 11.278 12.584 1.00 0.00 O ATOM 245 CB THR A 18 -4.977 10.552 9.698 1.00 0.00 C ATOM 246 OG1 THR A 18 -5.084 11.838 9.032 1.00 0.00 O ATOM 247 CG2 THR A 18 -6.105 10.376 10.681 1.00 0.00 C ATOM 0 H THR A 18 -3.765 9.274 12.078 1.00 0.00 H new ATOM 0 HA THR A 18 -2.874 10.407 9.572 1.00 0.00 H new ATOM 0 HB THR A 18 -5.056 9.765 8.948 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.962 11.912 8.603 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.058 10.490 10.165 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.049 9.382 11.125 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.025 11.129 11.465 1.00 0.00 H new ATOM 255 N ARG A 19 -3.203 12.581 10.829 1.00 0.00 N ATOM 256 CA ARG A 19 -2.924 13.764 11.577 1.00 0.00 C ATOM 257 C ARG A 19 -4.010 14.768 11.399 1.00 0.00 C ATOM 258 O ARG A 19 -4.209 15.640 12.243 1.00 0.00 O ATOM 259 CB ARG A 19 -1.548 14.370 11.226 1.00 0.00 C ATOM 260 CG ARG A 19 -1.176 14.302 9.744 1.00 0.00 C ATOM 261 CD ARG A 19 -0.093 15.312 9.377 1.00 0.00 C ATOM 262 NE ARG A 19 -0.657 16.660 9.299 1.00 0.00 N ATOM 263 CZ ARG A 19 -0.076 17.760 8.833 1.00 0.00 C ATOM 264 NH1 ARG A 19 1.244 17.794 8.601 1.00 0.00 N ATOM 265 NH2 ARG A 19 -0.832 18.838 8.609 1.00 0.00 N ATOM 0 H ARG A 19 -3.215 12.728 9.820 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.884 13.477 12.628 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.535 15.413 11.542 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -0.781 13.853 11.803 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.830 13.297 9.503 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.064 14.487 9.139 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.704 15.287 10.121 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.355 15.043 8.421 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.611 16.768 9.644 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.815 16.969 8.782 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.677 18.645 8.243 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.834 18.806 8.796 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.407 19.694 8.251 1.00 0.00 H new ATOM 279 N GLU A 20 -4.771 14.589 10.373 1.00 0.00 N ATOM 280 CA GLU A 20 -5.704 15.590 10.006 1.00 0.00 C ATOM 281 C GLU A 20 -7.117 15.268 10.417 1.00 0.00 C ATOM 282 O GLU A 20 -7.615 14.171 10.159 1.00 0.00 O ATOM 283 CB GLU A 20 -5.671 15.800 8.509 1.00 0.00 C ATOM 284 CG GLU A 20 -4.308 16.187 7.933 1.00 0.00 C ATOM 285 CD GLU A 20 -3.675 17.391 8.607 1.00 0.00 C ATOM 286 OE1 GLU A 20 -3.145 17.234 9.717 1.00 0.00 O ATOM 287 OE2 GLU A 20 -3.601 18.460 8.012 1.00 0.00 O ATOM 0 H GLU A 20 -4.763 13.761 9.778 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.406 16.494 10.536 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.006 14.884 8.023 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.390 16.578 8.252 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.632 15.336 8.022 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.420 16.396 6.869 1.00 0.00 H new ATOM 294 N SER A 21 -7.707 16.216 11.132 1.00 0.00 N ATOM 295 CA SER A 21 -9.157 16.328 11.360 1.00 0.00 C ATOM 296 C SER A 21 -9.846 15.180 12.125 1.00 0.00 C ATOM 297 O SER A 21 -11.051 15.270 12.369 1.00 0.00 O ATOM 298 CB SER A 21 -9.813 16.434 9.996 1.00 0.00 C ATOM 299 OG SER A 21 -11.197 16.750 10.068 1.00 0.00 O ATOM 0 H SER A 21 -7.178 16.959 11.589 1.00 0.00 H new ATOM 0 HA SER A 21 -9.280 17.197 12.006 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.301 17.199 9.411 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.689 15.490 9.465 1.00 0.00 H new ATOM 0 HG SER A 21 -11.584 16.345 10.872 1.00 0.00 H new ATOM 305 N ASN A 22 -9.173 14.127 12.463 1.00 0.00 N ATOM 306 CA ASN A 22 -9.912 12.999 13.074 1.00 0.00 C ATOM 307 C ASN A 22 -9.681 12.836 14.568 1.00 0.00 C ATOM 308 O ASN A 22 -8.761 12.138 14.952 1.00 0.00 O ATOM 309 CB ASN A 22 -9.620 11.652 12.380 1.00 0.00 C ATOM 310 CG ASN A 22 -9.987 11.572 10.903 1.00 0.00 C ATOM 311 OD1 ASN A 22 -9.369 10.815 10.159 1.00 0.00 O ATOM 312 ND2 ASN A 22 -10.974 12.322 10.469 1.00 0.00 N ATOM 0 H ASN A 22 -8.168 13.997 12.347 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.957 13.270 12.925 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.557 11.435 12.483 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.158 10.867 12.911 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -11.248 12.286 9.487 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -11.467 12.940 11.114 1.00 0.00 H new ATOM 319 N PRO A 23 -10.524 13.430 15.441 1.00 0.00 N ATOM 320 CA PRO A 23 -10.375 13.286 16.877 1.00 0.00 C ATOM 321 C PRO A 23 -11.024 11.982 17.357 1.00 0.00 C ATOM 322 O PRO A 23 -11.966 11.473 16.735 1.00 0.00 O ATOM 323 CB PRO A 23 -11.095 14.516 17.455 1.00 0.00 C ATOM 324 CG PRO A 23 -11.759 15.197 16.287 1.00 0.00 C ATOM 325 CD PRO A 23 -11.691 14.245 15.124 1.00 0.00 C ATOM 0 HA PRO A 23 -9.333 13.235 17.193 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -11.830 14.221 18.204 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.389 15.185 17.947 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -12.794 15.444 16.523 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -11.254 16.133 16.049 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.595 13.642 15.042 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.572 14.771 14.177 1.00 0.00 H new ATOM 333 N HIS A 24 -10.546 11.458 18.445 1.00 0.00 N ATOM 334 CA HIS A 24 -10.948 10.146 18.925 1.00 0.00 C ATOM 335 C HIS A 24 -10.839 10.128 20.377 1.00 0.00 C ATOM 336 O HIS A 24 -9.814 10.486 20.947 1.00 0.00 O ATOM 337 CB HIS A 24 -9.988 9.052 18.413 1.00 0.00 C ATOM 338 CG HIS A 24 -9.968 8.752 16.924 1.00 0.00 C ATOM 339 ND1 HIS A 24 -9.426 9.581 15.971 1.00 0.00 N ATOM 340 CD2 HIS A 24 -10.396 7.652 16.246 1.00 0.00 C ATOM 341 CE1 HIS A 24 -9.531 8.992 14.794 1.00 0.00 C ATOM 342 NE2 HIS A 24 -10.109 7.810 14.888 1.00 0.00 N ATOM 0 H HIS A 24 -9.859 11.923 19.038 1.00 0.00 H new ATOM 0 HA HIS A 24 -11.963 9.957 18.576 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -8.977 9.331 18.710 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -10.229 8.126 18.936 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -9.012 10.497 16.144 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -10.880 6.794 16.688 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -9.186 9.425 13.867 1.00 0.00 H new ATOM 350 N CYS A 25 -11.862 9.736 20.963 1.00 0.00 N ATOM 351 CA CYS A 25 -11.853 9.437 22.318 1.00 0.00 C ATOM 352 C CYS A 25 -11.736 7.963 22.297 1.00 0.00 C ATOM 353 O CYS A 25 -12.706 7.272 22.065 1.00 0.00 O ATOM 354 CB CYS A 25 -13.133 9.888 23.012 1.00 0.00 C ATOM 355 SG CYS A 25 -13.050 9.777 24.841 1.00 0.00 S ATOM 0 H CYS A 25 -12.766 9.606 20.508 1.00 0.00 H new ATOM 0 HA CYS A 25 -11.060 9.939 22.872 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -13.348 10.918 22.728 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -13.964 9.279 22.656 1.00 0.00 H new ATOM 360 N GLY A 26 -10.540 7.479 22.418 1.00 0.00 N ATOM 361 CA GLY A 26 -10.314 6.098 22.190 1.00 0.00 C ATOM 362 C GLY A 26 -10.586 5.325 23.388 1.00 0.00 C ATOM 363 O GLY A 26 -10.664 5.899 24.454 1.00 0.00 O ATOM 0 H GLY A 26 -9.714 8.020 22.672 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -10.950 5.751 21.376 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.282 5.941 21.877 1.00 0.00 H new ATOM 367 N SER A 27 -10.713 4.019 23.264 1.00 0.00 N ATOM 368 CA SER A 27 -10.939 3.186 24.420 1.00 0.00 C ATOM 369 C SER A 27 -9.680 3.154 25.360 1.00 0.00 C ATOM 370 O SER A 27 -9.647 2.443 26.349 1.00 0.00 O ATOM 371 CB SER A 27 -11.422 1.788 24.031 1.00 0.00 C ATOM 372 OG SER A 27 -12.607 1.873 23.254 1.00 0.00 O ATOM 0 H SER A 27 -10.663 3.517 22.378 1.00 0.00 H new ATOM 0 HA SER A 27 -11.748 3.636 24.996 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.645 1.272 23.466 1.00 0.00 H new ATOM 0 HB3 SER A 27 -11.609 1.198 24.928 1.00 0.00 H new ATOM 0 HG SER A 27 -12.904 0.971 23.011 1.00 0.00 H new ATOM 378 N ASP A 28 -8.665 3.982 24.979 1.00 0.00 N ATOM 379 CA ASP A 28 -7.501 4.396 25.786 1.00 0.00 C ATOM 380 C ASP A 28 -8.065 5.125 26.971 1.00 0.00 C ATOM 381 O ASP A 28 -7.497 5.194 28.049 1.00 0.00 O ATOM 382 CB ASP A 28 -6.664 5.373 24.895 1.00 0.00 C ATOM 383 CG ASP A 28 -5.392 5.964 25.512 1.00 0.00 C ATOM 384 OD1 ASP A 28 -5.497 6.783 26.407 1.00 0.00 O ATOM 385 OD2 ASP A 28 -4.264 5.659 25.009 1.00 0.00 O ATOM 0 H ASP A 28 -8.645 4.396 24.047 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.872 3.568 26.112 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -6.384 4.844 23.984 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.311 6.198 24.598 1.00 0.00 H new ATOM 390 N GLY A 29 -9.249 5.627 26.734 1.00 0.00 N ATOM 391 CA GLY A 29 -9.962 6.370 27.677 1.00 0.00 C ATOM 392 C GLY A 29 -9.898 7.781 27.292 1.00 0.00 C ATOM 393 O GLY A 29 -10.866 8.551 27.480 1.00 0.00 O ATOM 0 H GLY A 29 -9.737 5.513 25.846 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.998 6.035 27.720 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.539 6.228 28.671 1.00 0.00 H new ATOM 397 N GLN A 30 -8.793 8.097 26.672 1.00 0.00 N ATOM 398 CA GLN A 30 -8.445 9.438 26.346 1.00 0.00 C ATOM 399 C GLN A 30 -8.916 9.940 25.052 1.00 0.00 C ATOM 400 O GLN A 30 -9.199 9.195 24.113 1.00 0.00 O ATOM 401 CB GLN A 30 -6.988 9.669 26.476 1.00 0.00 C ATOM 402 CG GLN A 30 -6.589 9.396 27.839 1.00 0.00 C ATOM 403 CD GLN A 30 -5.107 9.576 28.101 1.00 0.00 C ATOM 404 OE1 GLN A 30 -4.441 10.426 27.498 1.00 0.00 O ATOM 405 NE2 GLN A 30 -4.566 8.753 28.955 1.00 0.00 N ATOM 0 H GLN A 30 -8.100 7.409 26.377 1.00 0.00 H new ATOM 0 HA GLN A 30 -8.993 10.019 27.088 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.442 9.025 25.787 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.745 10.698 26.211 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -7.147 10.052 28.507 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.869 8.373 28.090 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -5.144 8.064 29.435 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.564 8.798 29.143 1.00 0.00 H new ATOM 414 N THR A 31 -9.011 11.220 25.025 1.00 0.00 N ATOM 415 CA THR A 31 -9.331 11.921 23.825 1.00 0.00 C ATOM 416 C THR A 31 -8.074 12.421 23.198 1.00 0.00 C ATOM 417 O THR A 31 -7.278 13.121 23.824 1.00 0.00 O ATOM 418 CB THR A 31 -10.293 13.099 24.016 1.00 0.00 C ATOM 419 OG1 THR A 31 -11.546 12.628 24.549 1.00 0.00 O ATOM 420 CG2 THR A 31 -10.524 13.805 22.665 1.00 0.00 C ATOM 0 H THR A 31 -8.869 11.819 25.838 1.00 0.00 H new ATOM 0 HA THR A 31 -9.846 11.204 23.186 1.00 0.00 H new ATOM 0 HB THR A 31 -9.857 13.809 24.719 1.00 0.00 H new ATOM 0 HG1 THR A 31 -11.615 11.660 24.415 1.00 0.00 H new ATOM 0 HG21 THR A 31 -11.208 14.642 22.804 1.00 0.00 H new ATOM 0 HG22 THR A 31 -9.573 14.174 22.280 1.00 0.00 H new ATOM 0 HG23 THR A 31 -10.954 13.099 21.954 1.00 0.00 H new ATOM 428 N TYR A 32 -7.893 12.051 21.993 1.00 0.00 N ATOM 429 CA TYR A 32 -6.801 12.469 21.254 1.00 0.00 C ATOM 430 C TYR A 32 -7.247 13.266 20.067 1.00 0.00 C ATOM 431 O TYR A 32 -8.296 12.989 19.467 1.00 0.00 O ATOM 432 CB TYR A 32 -5.930 11.302 20.893 1.00 0.00 C ATOM 433 CG TYR A 32 -5.190 10.760 22.090 1.00 0.00 C ATOM 434 CD1 TYR A 32 -4.195 11.516 22.694 1.00 0.00 C ATOM 435 CD2 TYR A 32 -5.479 9.514 22.620 1.00 0.00 C ATOM 436 CE1 TYR A 32 -3.510 11.048 23.786 1.00 0.00 C ATOM 437 CE2 TYR A 32 -4.796 9.040 23.713 1.00 0.00 C ATOM 438 CZ TYR A 32 -3.815 9.814 24.294 1.00 0.00 C ATOM 439 OH TYR A 32 -3.114 9.331 25.375 1.00 0.00 O ATOM 0 H TYR A 32 -8.527 11.430 21.489 1.00 0.00 H new ATOM 0 HA TYR A 32 -6.186 13.134 21.860 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -6.543 10.513 20.457 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -5.213 11.606 20.130 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.956 12.491 22.297 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -6.251 8.908 22.169 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -2.736 11.648 24.241 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -5.027 8.065 24.116 1.00 0.00 H new ATOM 0 HH TYR A 32 -3.463 9.733 26.198 1.00 0.00 H new ATOM 449 N GLY A 33 -6.463 14.275 19.785 1.00 0.00 N ATOM 450 CA GLY A 33 -6.735 15.237 18.728 1.00 0.00 C ATOM 451 C GLY A 33 -6.873 14.626 17.357 1.00 0.00 C ATOM 452 O GLY A 33 -7.676 15.090 16.556 1.00 0.00 O ATOM 0 H GLY A 33 -5.597 14.462 20.290 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.653 15.774 18.968 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.931 15.973 18.706 1.00 0.00 H new ATOM 456 N ASN A 34 -6.096 13.605 17.072 1.00 0.00 N ATOM 457 CA ASN A 34 -6.196 12.951 15.810 1.00 0.00 C ATOM 458 C ASN A 34 -5.924 11.476 15.981 1.00 0.00 C ATOM 459 O ASN A 34 -5.678 11.015 17.101 1.00 0.00 O ATOM 460 CB ASN A 34 -5.317 13.614 14.723 1.00 0.00 C ATOM 461 CG ASN A 34 -3.802 13.555 15.023 1.00 0.00 C ATOM 462 OD1 ASN A 34 -3.294 12.602 15.618 1.00 0.00 O ATOM 463 ND2 ASN A 34 -3.085 14.569 14.622 1.00 0.00 N ATOM 0 H ASN A 34 -5.393 13.219 17.703 1.00 0.00 H new ATOM 0 HA ASN A 34 -7.215 13.063 15.441 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.508 13.126 13.767 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -5.616 14.657 14.614 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.081 14.585 14.799 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -3.529 15.345 14.132 1.00 0.00 H new ATOM 470 N LYS A 35 -5.945 10.737 14.895 1.00 0.00 N ATOM 471 CA LYS A 35 -5.816 9.288 14.961 1.00 0.00 C ATOM 472 C LYS A 35 -4.467 8.866 15.410 1.00 0.00 C ATOM 473 O LYS A 35 -4.322 7.919 16.121 1.00 0.00 O ATOM 474 CB LYS A 35 -6.169 8.643 13.641 1.00 0.00 C ATOM 475 CG LYS A 35 -6.225 7.109 13.657 1.00 0.00 C ATOM 476 CD LYS A 35 -6.558 6.517 12.279 1.00 0.00 C ATOM 477 CE LYS A 35 -7.978 6.858 11.797 1.00 0.00 C ATOM 478 NZ LYS A 35 -9.041 6.265 12.664 1.00 0.00 N ATOM 0 H LYS A 35 -6.050 11.110 13.952 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.530 8.943 15.710 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.138 9.023 13.317 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.439 8.956 12.895 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.265 6.717 13.995 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -6.974 6.784 14.379 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.836 6.884 11.549 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.446 5.434 12.320 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.098 7.941 11.772 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.106 6.499 10.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.941 6.242 12.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.771 5.297 12.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.152 6.843 13.521 1.00 0.00 H new ATOM 492 N CYS A 36 -3.531 9.574 14.979 1.00 0.00 N ATOM 493 CA CYS A 36 -2.115 9.328 15.297 1.00 0.00 C ATOM 494 C CYS A 36 -1.853 9.440 16.748 1.00 0.00 C ATOM 495 O CYS A 36 -1.150 8.629 17.348 1.00 0.00 O ATOM 496 CB CYS A 36 -1.234 10.276 14.527 1.00 0.00 C ATOM 497 SG CYS A 36 0.329 9.533 13.972 1.00 0.00 S ATOM 0 H CYS A 36 -3.678 10.380 14.371 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.881 8.306 15.000 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.781 10.642 13.658 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.013 11.141 15.152 1.00 0.00 H new ATOM 502 N ALA A 37 -2.498 10.365 17.298 1.00 0.00 N ATOM 503 CA ALA A 37 -2.386 10.678 18.703 1.00 0.00 C ATOM 504 C ALA A 37 -2.870 9.479 19.557 1.00 0.00 C ATOM 505 O ALA A 37 -2.296 9.151 20.588 1.00 0.00 O ATOM 506 CB ALA A 37 -3.211 11.903 18.950 1.00 0.00 C ATOM 0 H ALA A 37 -3.150 10.966 16.795 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.351 10.868 18.986 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.153 12.174 20.004 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.833 12.725 18.343 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.249 11.703 18.683 1.00 0.00 H new ATOM 512 N PHE A 38 -3.899 8.828 19.075 1.00 0.00 N ATOM 513 CA PHE A 38 -4.492 7.640 19.717 1.00 0.00 C ATOM 514 C PHE A 38 -3.917 6.326 19.138 1.00 0.00 C ATOM 515 O PHE A 38 -4.066 5.260 19.726 1.00 0.00 O ATOM 516 CB PHE A 38 -6.042 7.726 19.559 1.00 0.00 C ATOM 517 CG PHE A 38 -6.835 6.486 19.896 1.00 0.00 C ATOM 518 CD1 PHE A 38 -6.665 5.817 21.099 1.00 0.00 C ATOM 519 CD2 PHE A 38 -7.742 5.982 18.979 1.00 0.00 C ATOM 520 CE1 PHE A 38 -7.384 4.672 21.370 1.00 0.00 C ATOM 521 CE2 PHE A 38 -8.461 4.840 19.247 1.00 0.00 C ATOM 522 CZ PHE A 38 -8.281 4.185 20.442 1.00 0.00 C ATOM 0 H PHE A 38 -4.370 9.099 18.211 1.00 0.00 H new ATOM 0 HA PHE A 38 -4.237 7.627 20.777 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -6.402 8.540 20.188 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -6.263 7.999 18.527 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -5.965 6.196 21.829 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -7.887 6.493 18.039 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -7.245 4.156 22.309 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -9.164 4.460 18.521 1.00 0.00 H new ATOM 0 HZ PHE A 38 -8.843 3.288 20.655 1.00 0.00 H new ATOM 532 N CYS A 39 -3.157 6.442 18.082 1.00 0.00 N ATOM 533 CA CYS A 39 -2.682 5.298 17.314 1.00 0.00 C ATOM 534 C CYS A 39 -1.826 4.438 18.148 1.00 0.00 C ATOM 535 O CYS A 39 -2.005 3.255 18.168 1.00 0.00 O ATOM 536 CB CYS A 39 -1.935 5.750 16.051 1.00 0.00 C ATOM 537 SG CYS A 39 -1.625 4.418 14.844 1.00 0.00 S ATOM 0 H CYS A 39 -2.840 7.341 17.718 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.550 4.719 16.997 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -2.511 6.538 15.565 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -0.981 6.187 16.345 1.00 0.00 H new ATOM 542 N LYS A 40 -1.043 5.064 18.986 1.00 0.00 N ATOM 543 CA LYS A 40 -0.052 4.440 19.763 1.00 0.00 C ATOM 544 C LYS A 40 -0.595 3.514 20.744 1.00 0.00 C ATOM 545 O LYS A 40 0.004 2.515 21.082 1.00 0.00 O ATOM 546 CB LYS A 40 0.796 5.503 20.416 1.00 0.00 C ATOM 547 CG LYS A 40 0.083 6.729 21.138 1.00 0.00 C ATOM 548 CD LYS A 40 -0.678 6.323 22.412 1.00 0.00 C ATOM 549 CE LYS A 40 -1.374 7.482 23.139 1.00 0.00 C ATOM 550 NZ LYS A 40 -2.117 7.039 24.385 1.00 0.00 N ATOM 0 H LYS A 40 -1.096 6.071 19.139 1.00 0.00 H new ATOM 0 HA LYS A 40 0.563 3.830 19.102 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.429 5.010 21.154 1.00 0.00 H new ATOM 0 HB3 LYS A 40 1.457 5.911 19.651 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.833 7.478 21.394 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.612 7.198 20.442 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.426 5.575 22.149 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.021 5.847 23.100 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.631 8.231 23.413 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.075 7.963 22.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.258 7.855 25.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.041 6.645 24.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.562 6.312 24.880 1.00 0.00 H new ATOM 564 N ALA A 41 -1.675 3.868 21.183 1.00 0.00 N ATOM 565 CA ALA A 41 -2.379 3.147 22.165 1.00 0.00 C ATOM 566 C ALA A 41 -2.996 1.993 21.573 1.00 0.00 C ATOM 567 O ALA A 41 -3.040 0.949 22.194 1.00 0.00 O ATOM 568 CB ALA A 41 -3.429 3.936 22.649 1.00 0.00 C ATOM 0 H ALA A 41 -2.153 4.714 20.874 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.679 2.866 22.952 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.979 3.383 23.411 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.026 4.850 23.085 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.101 4.190 21.829 1.00 0.00 H new ATOM 574 N ILE A 42 -3.436 2.147 20.326 1.00 0.00 N ATOM 575 CA ILE A 42 -4.093 1.082 19.654 1.00 0.00 C ATOM 576 C ILE A 42 -3.117 0.024 19.543 1.00 0.00 C ATOM 577 O ILE A 42 -3.359 -1.115 19.897 1.00 0.00 O ATOM 578 CB ILE A 42 -4.515 1.569 18.301 1.00 0.00 C ATOM 579 CG1 ILE A 42 -5.655 2.460 18.516 1.00 0.00 C ATOM 580 CG2 ILE A 42 -4.833 0.435 17.384 1.00 0.00 C ATOM 581 CD1 ILE A 42 -5.810 3.465 17.466 1.00 0.00 C ATOM 0 H ILE A 42 -3.339 3.004 19.781 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.980 0.728 20.179 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.708 2.109 17.806 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.566 1.865 18.577 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.538 2.963 19.476 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.135 0.826 16.413 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.951 -0.194 17.264 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -5.646 -0.157 17.805 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.674 4.092 17.687 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.914 4.084 17.420 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.958 2.969 16.507 1.00 0.00 H new ATOM 593 N VAL A 43 -1.973 0.476 19.194 1.00 0.00 N ATOM 594 CA VAL A 43 -0.816 -0.315 19.080 1.00 0.00 C ATOM 595 C VAL A 43 -0.537 -1.065 20.374 1.00 0.00 C ATOM 596 O VAL A 43 -0.302 -2.259 20.348 1.00 0.00 O ATOM 597 CB VAL A 43 0.376 0.562 18.775 1.00 0.00 C ATOM 598 CG1 VAL A 43 1.588 -0.266 18.542 1.00 0.00 C ATOM 599 CG2 VAL A 43 0.110 1.443 17.600 1.00 0.00 C ATOM 0 H VAL A 43 -1.813 1.458 18.969 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.981 -1.032 18.275 1.00 0.00 H new ATOM 0 HB VAL A 43 0.553 1.200 19.641 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.436 0.383 18.324 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.803 -0.856 19.433 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.416 -0.934 17.698 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.985 2.063 17.404 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.103 0.828 16.725 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.747 2.082 17.811 1.00 0.00 H new ATOM 609 N LYS A 44 -0.706 -0.381 21.497 1.00 0.00 N ATOM 610 CA LYS A 44 -0.263 -0.917 22.777 1.00 0.00 C ATOM 611 C LYS A 44 -1.004 -2.152 23.200 1.00 0.00 C ATOM 612 O LYS A 44 -0.434 -3.054 23.785 1.00 0.00 O ATOM 613 CB LYS A 44 -0.300 0.142 23.835 1.00 0.00 C ATOM 614 CG LYS A 44 0.738 1.243 23.622 1.00 0.00 C ATOM 615 CD LYS A 44 2.178 0.715 23.677 1.00 0.00 C ATOM 616 CE LYS A 44 3.128 1.578 22.846 1.00 0.00 C ATOM 617 NZ LYS A 44 2.798 1.513 21.396 1.00 0.00 N ATOM 0 H LYS A 44 -1.143 0.539 21.549 1.00 0.00 H new ATOM 0 HA LYS A 44 0.771 -1.234 22.639 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.294 0.589 23.858 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.135 -0.320 24.808 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.566 1.718 22.656 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.608 2.012 24.383 1.00 0.00 H new ATOM 0 HD2 LYS A 44 2.518 0.692 24.712 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.204 -0.311 23.311 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.073 2.612 23.186 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.154 1.245 23.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.621 1.157 20.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.991 0.873 21.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.552 2.463 21.053 1.00 0.00 H new ATOM 631 N SER A 45 -2.250 -2.179 22.931 1.00 0.00 N ATOM 632 CA SER A 45 -3.022 -3.366 23.222 1.00 0.00 C ATOM 633 C SER A 45 -3.331 -4.177 21.953 1.00 0.00 C ATOM 634 O SER A 45 -4.347 -4.874 21.863 1.00 0.00 O ATOM 635 CB SER A 45 -4.264 -3.017 23.998 1.00 0.00 C ATOM 636 OG SER A 45 -3.915 -2.302 25.169 1.00 0.00 O ATOM 0 H SER A 45 -2.774 -1.410 22.513 1.00 0.00 H new ATOM 0 HA SER A 45 -2.415 -4.015 23.853 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.933 -2.417 23.381 1.00 0.00 H new ATOM 0 HB3 SER A 45 -4.805 -3.925 24.264 1.00 0.00 H new ATOM 0 HG SER A 45 -4.727 -2.076 25.669 1.00 0.00 H new ATOM 642 N GLY A 46 -2.455 -4.079 20.972 1.00 0.00 N ATOM 643 CA GLY A 46 -2.509 -4.939 19.868 1.00 0.00 C ATOM 644 C GLY A 46 -3.422 -4.580 18.782 1.00 0.00 C ATOM 645 O GLY A 46 -3.837 -5.450 18.049 1.00 0.00 O ATOM 0 H GLY A 46 -1.699 -3.395 20.943 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.505 -5.018 19.452 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.784 -5.931 20.226 1.00 0.00 H new ATOM 649 N GLY A 47 -3.798 -3.365 18.696 1.00 0.00 N ATOM 650 CA GLY A 47 -4.712 -2.941 17.673 1.00 0.00 C ATOM 651 C GLY A 47 -6.113 -3.325 18.008 1.00 0.00 C ATOM 652 O GLY A 47 -7.034 -3.128 17.215 1.00 0.00 O ATOM 0 H GLY A 47 -3.490 -2.624 19.325 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.648 -1.860 17.550 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.428 -3.387 16.720 1.00 0.00 H new ATOM 656 N LYS A 48 -6.256 -3.952 19.148 1.00 0.00 N ATOM 657 CA LYS A 48 -7.523 -4.402 19.614 1.00 0.00 C ATOM 658 C LYS A 48 -8.373 -3.310 20.265 1.00 0.00 C ATOM 659 O LYS A 48 -9.585 -3.454 20.364 1.00 0.00 O ATOM 660 CB LYS A 48 -7.321 -5.595 20.511 1.00 0.00 C ATOM 661 CG LYS A 48 -6.490 -6.715 19.834 1.00 0.00 C ATOM 662 CD LYS A 48 -7.061 -7.061 18.453 1.00 0.00 C ATOM 663 CE LYS A 48 -6.254 -8.135 17.703 1.00 0.00 C ATOM 664 NZ LYS A 48 -4.968 -7.622 17.146 1.00 0.00 N ATOM 0 H LYS A 48 -5.482 -4.162 19.778 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.110 -4.700 18.745 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.819 -5.277 21.425 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.292 -5.994 20.803 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.453 -6.394 19.733 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.489 -7.604 20.465 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.088 -7.406 18.570 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.096 -6.156 17.847 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.044 -8.962 18.381 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.861 -8.535 16.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.321 -8.418 16.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.151 -7.127 16.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.535 -6.962 17.823 1.00 0.00 H new ATOM 678 N ILE A 49 -7.744 -2.242 20.720 1.00 0.00 N ATOM 679 CA ILE A 49 -8.500 -1.098 21.278 1.00 0.00 C ATOM 680 C ILE A 49 -9.388 -0.473 20.200 1.00 0.00 C ATOM 681 O ILE A 49 -9.075 -0.525 19.011 1.00 0.00 O ATOM 682 CB ILE A 49 -7.542 -0.045 21.875 1.00 0.00 C ATOM 683 CG1 ILE A 49 -6.715 -0.731 22.910 1.00 0.00 C ATOM 684 CG2 ILE A 49 -8.289 1.141 22.526 1.00 0.00 C ATOM 685 CD1 ILE A 49 -5.622 0.104 23.434 1.00 0.00 C ATOM 0 H ILE A 49 -6.730 -2.127 20.722 1.00 0.00 H new ATOM 0 HA ILE A 49 -9.138 -1.466 22.082 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.935 0.369 21.070 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.358 -1.034 23.736 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.294 -1.641 22.483 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.565 1.850 22.929 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -8.905 1.638 21.777 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -8.924 0.773 23.332 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.062 -0.457 24.182 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -4.956 0.386 22.618 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.037 1.002 23.891 1.00 0.00 H new ATOM 697 N SER A 50 -10.460 0.123 20.623 1.00 0.00 N ATOM 698 CA SER A 50 -11.441 0.645 19.745 1.00 0.00 C ATOM 699 C SER A 50 -11.679 2.077 20.134 1.00 0.00 C ATOM 700 O SER A 50 -10.958 2.622 20.976 1.00 0.00 O ATOM 701 CB SER A 50 -12.723 -0.180 19.885 1.00 0.00 C ATOM 702 OG SER A 50 -12.458 -1.560 19.680 1.00 0.00 O ATOM 0 H SER A 50 -10.675 0.259 21.611 1.00 0.00 H new ATOM 0 HA SER A 50 -11.116 0.596 18.706 1.00 0.00 H new ATOM 0 HB2 SER A 50 -13.151 -0.030 20.876 1.00 0.00 H new ATOM 0 HB3 SER A 50 -13.463 0.164 19.163 1.00 0.00 H new ATOM 0 HG SER A 50 -13.289 -2.070 19.775 1.00 0.00 H new ATOM 708 N LEU A 51 -12.591 2.706 19.501 1.00 0.00 N ATOM 709 CA LEU A 51 -12.950 3.957 19.783 1.00 0.00 C ATOM 710 C LEU A 51 -14.171 4.043 20.677 1.00 0.00 C ATOM 711 O LEU A 51 -15.093 3.255 20.549 1.00 0.00 O ATOM 712 CB LEU A 51 -13.288 4.574 18.535 1.00 0.00 C ATOM 713 CG LEU A 51 -13.546 5.966 18.684 1.00 0.00 C ATOM 714 CD1 LEU A 51 -12.296 6.602 19.088 1.00 0.00 C ATOM 715 CD2 LEU A 51 -14.081 6.485 17.482 1.00 0.00 C ATOM 0 H LEU A 51 -13.115 2.296 18.728 1.00 0.00 H new ATOM 0 HA LEU A 51 -12.126 4.439 20.309 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.473 4.430 17.826 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -14.167 4.085 18.114 1.00 0.00 H new ATOM 0 HG LEU A 51 -14.293 6.165 19.452 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -12.456 7.673 19.212 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.958 6.174 20.032 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -11.539 6.435 18.322 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -14.277 7.551 17.601 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.367 6.336 16.672 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -15.012 5.969 17.246 1.00 0.00 H new ATOM 727 N LYS A 52 -14.133 4.981 21.592 1.00 0.00 N ATOM 728 CA LYS A 52 -15.310 5.320 22.377 1.00 0.00 C ATOM 729 C LYS A 52 -16.158 6.226 21.585 1.00 0.00 C ATOM 730 O LYS A 52 -17.351 6.018 21.422 1.00 0.00 O ATOM 731 CB LYS A 52 -14.973 6.067 23.645 1.00 0.00 C ATOM 732 CG LYS A 52 -13.891 5.462 24.424 1.00 0.00 C ATOM 733 CD LYS A 52 -13.366 6.409 25.507 1.00 0.00 C ATOM 734 CE LYS A 52 -14.397 6.835 26.529 1.00 0.00 C ATOM 735 NZ LYS A 52 -13.861 7.945 27.369 1.00 0.00 N ATOM 0 H LYS A 52 -13.302 5.528 21.817 1.00 0.00 H new ATOM 0 HA LYS A 52 -15.799 4.380 22.632 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -14.695 7.089 23.389 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -15.866 6.126 24.268 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -14.248 4.543 24.888 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -13.074 5.186 23.757 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -12.540 5.923 26.026 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -12.961 7.300 25.026 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -15.308 7.158 26.025 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -14.665 5.988 27.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -14.415 8.015 28.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -12.865 7.755 27.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.929 8.841 26.845 1.00 0.00 H new ATOM 749 N HIS A 53 -15.528 7.230 21.085 1.00 0.00 N ATOM 750 CA HIS A 53 -16.286 8.296 20.439 1.00 0.00 C ATOM 751 C HIS A 53 -15.454 9.046 19.411 1.00 0.00 C ATOM 752 O HIS A 53 -14.284 9.357 19.671 1.00 0.00 O ATOM 753 CB HIS A 53 -16.811 9.278 21.528 1.00 0.00 C ATOM 754 CG HIS A 53 -17.776 10.329 21.035 1.00 0.00 C ATOM 755 ND1 HIS A 53 -17.590 11.687 21.181 1.00 0.00 N ATOM 756 CD2 HIS A 53 -18.975 10.186 20.417 1.00 0.00 C ATOM 757 CE1 HIS A 53 -18.650 12.307 20.659 1.00 0.00 C ATOM 758 NE2 HIS A 53 -19.523 11.439 20.181 1.00 0.00 N ATOM 0 H HIS A 53 -14.516 7.355 21.098 1.00 0.00 H new ATOM 0 HA HIS A 53 -17.123 7.845 19.905 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -17.299 8.699 22.312 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -15.957 9.778 21.986 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -16.784 12.139 21.612 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -19.432 9.244 20.150 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -18.777 13.379 20.631 1.00 0.00 H new ATOM 766 N PRO A 54 -16.011 9.279 18.200 1.00 0.00 N ATOM 767 CA PRO A 54 -15.385 10.140 17.211 1.00 0.00 C ATOM 768 C PRO A 54 -15.490 11.578 17.689 1.00 0.00 C ATOM 769 O PRO A 54 -16.577 12.150 17.750 1.00 0.00 O ATOM 770 CB PRO A 54 -16.224 9.936 15.933 1.00 0.00 C ATOM 771 CG PRO A 54 -17.108 8.767 16.214 1.00 0.00 C ATOM 772 CD PRO A 54 -17.276 8.713 17.702 1.00 0.00 C ATOM 0 HA PRO A 54 -14.332 9.916 17.043 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -16.811 10.825 15.704 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -15.585 9.745 15.071 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -18.072 8.881 15.718 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -16.664 7.845 15.839 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -18.136 9.295 18.032 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -17.428 7.693 18.054 1.00 0.00 H new ATOM 780 N GLY A 55 -14.388 12.135 18.041 1.00 0.00 N ATOM 781 CA GLY A 55 -14.384 13.418 18.644 1.00 0.00 C ATOM 782 C GLY A 55 -13.922 13.280 20.055 1.00 0.00 C ATOM 783 O GLY A 55 -13.413 12.229 20.438 1.00 0.00 O ATOM 0 H GLY A 55 -13.466 11.716 17.920 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.726 14.092 18.095 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.383 13.853 18.614 1.00 0.00 H new ATOM 787 N LYS A 56 -14.040 14.316 20.812 1.00 0.00 N ATOM 788 CA LYS A 56 -13.687 14.274 22.173 1.00 0.00 C ATOM 789 C LYS A 56 -14.756 13.660 23.021 1.00 0.00 C ATOM 790 O LYS A 56 -15.882 13.435 22.581 1.00 0.00 O ATOM 791 CB LYS A 56 -13.404 15.682 22.690 1.00 0.00 C ATOM 792 CG LYS A 56 -14.647 16.585 22.832 1.00 0.00 C ATOM 793 CD LYS A 56 -14.317 17.918 23.521 1.00 0.00 C ATOM 794 CE LYS A 56 -13.900 17.737 24.996 1.00 0.00 C ATOM 795 NZ LYS A 56 -15.017 17.272 25.868 1.00 0.00 N ATOM 0 H LYS A 56 -14.388 15.220 20.493 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.794 13.653 22.244 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.916 15.605 23.662 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -12.697 16.165 22.016 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -15.066 16.781 21.845 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -15.412 16.061 23.405 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -13.512 18.414 22.978 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -15.186 18.574 23.471 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.082 17.019 25.050 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -13.519 18.684 25.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -14.639 16.661 26.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -15.490 18.094 26.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -15.702 16.736 25.298 1.00 0.00 H new ATOM 809 N CYS A 57 -14.366 13.364 24.205 1.00 0.00 N ATOM 810 CA CYS A 57 -15.299 13.051 25.243 1.00 0.00 C ATOM 811 C CYS A 57 -15.492 14.328 26.015 1.00 0.00 C ATOM 812 O CYS A 57 -16.417 15.090 25.699 1.00 0.00 O ATOM 813 CB CYS A 57 -14.809 11.922 26.157 1.00 0.00 C ATOM 814 SG CYS A 57 -14.926 10.230 25.440 1.00 0.00 S ATOM 815 OXT CYS A 57 -14.610 14.684 26.814 1.00 0.00 O ATOM 0 H CYS A 57 -13.388 13.329 24.492 1.00 0.00 H new ATOM 0 HA CYS A 57 -16.233 12.684 24.818 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -13.770 12.116 26.423 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -15.385 11.948 27.082 1.00 0.00 H new TER 820 CYS A 57