USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 523 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 5 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 MET CE :methyl -102:sc= -1.92! (180deg=-3.41!) USER MOD Single : A 1 MET N :NH3+ -110:sc= 0.54 (180deg=-2.16!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl -176:sc= -0.0208 (180deg=-0.0433) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0471) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN :FLIP amide:sc= -0.0524 F(o=-1.5,f=-0.052) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= -0.192 USER MOD Single : A 32 ASN : amide:sc= -0.0803 K(o=-0.08,f=-1.5!) USER MOD Single : A 35 ASN : amide:sc= -1.63 K(o=-1.6,f=-3.2!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0352 USER MOD Single : A 54 THR OG1 : rot 70:sc= 0.485 USER MOD Single : A 56 ASN :FLIP amide:sc= 0.55 F(o=-0.04,f=0.55) USER MOD Single : A 58 MET CE :methyl -170:sc= 0 (180deg=-0.216) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0059 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 70 SER OG : rot 180:sc= 0.115 USER MOD Single : A 76 LYS NZ :NH3+ 162:sc= -0.0276 (180deg=-0.238) USER MOD Single : A 82 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.103) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.725 5.897 1.626 1.00 0.00 N ATOM 2 CA MET A 1 -15.233 4.535 1.500 1.00 0.00 C ATOM 3 C MET A 1 -15.550 4.206 0.046 1.00 0.00 C ATOM 4 O MET A 1 -16.426 4.819 -0.563 1.00 0.00 O ATOM 5 CB MET A 1 -16.485 4.354 2.361 1.00 0.00 C ATOM 6 CG MET A 1 -16.198 4.325 3.854 1.00 0.00 C ATOM 7 SD MET A 1 -16.119 5.974 4.577 1.00 0.00 S ATOM 8 CE MET A 1 -14.353 6.150 4.828 1.00 0.00 C ATOM 0 H1 MET A 1 -13.714 5.869 1.870 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.850 6.399 0.724 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.248 6.395 2.374 1.00 0.00 H new ATOM 0 HA MET A 1 -14.459 3.851 1.848 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.182 5.165 2.149 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.980 3.426 2.077 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.973 3.748 4.358 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.253 3.810 4.029 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.116 5.982 5.879 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.824 5.420 4.216 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.043 7.155 4.542 1.00 0.00 H new ATOM 16 N ALA A 2 -14.831 3.234 -0.506 1.00 0.00 N ATOM 17 CA ALA A 2 -15.038 2.823 -1.889 1.00 0.00 C ATOM 18 C ALA A 2 -15.015 1.303 -2.019 1.00 0.00 C ATOM 19 O ALA A 2 -14.990 0.585 -1.019 1.00 0.00 O ATOM 20 CB ALA A 2 -13.981 3.447 -2.789 1.00 0.00 C ATOM 0 H ALA A 2 -14.100 2.717 -0.017 1.00 0.00 H new ATOM 0 HA ALA A 2 -16.021 3.174 -2.203 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.148 3.131 -3.819 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.046 4.533 -2.727 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.991 3.124 -2.466 1.00 0.00 H new ATOM 26 N ARG A 3 -15.023 0.820 -3.257 1.00 0.00 N ATOM 27 CA ARG A 3 -15.006 -0.615 -3.517 1.00 0.00 C ATOM 28 C ARG A 3 -13.573 -1.128 -3.637 1.00 0.00 C ATOM 29 O ARG A 3 -13.196 -2.104 -2.991 1.00 0.00 O ATOM 30 CB ARG A 3 -15.782 -0.933 -4.797 1.00 0.00 C ATOM 31 CG ARG A 3 -16.510 -2.266 -4.751 1.00 0.00 C ATOM 32 CD ARG A 3 -17.742 -2.198 -3.862 1.00 0.00 C ATOM 33 NE ARG A 3 -17.447 -2.597 -2.488 1.00 0.00 N ATOM 34 CZ ARG A 3 -18.333 -2.539 -1.500 1.00 0.00 C ATOM 35 NH1 ARG A 3 -19.562 -2.100 -1.732 1.00 0.00 N ATOM 36 NH2 ARG A 3 -17.990 -2.920 -0.276 1.00 0.00 N ATOM 0 H ARG A 3 -15.041 1.401 -4.095 1.00 0.00 H new ATOM 0 HA ARG A 3 -15.485 -1.117 -2.676 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -16.506 -0.139 -4.980 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -15.091 -0.935 -5.640 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -16.804 -2.556 -5.760 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -15.835 -3.038 -4.381 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -18.138 -1.182 -3.868 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -18.519 -2.845 -4.269 1.00 0.00 H new ATOM 0 HE ARG A 3 -16.510 -2.939 -2.276 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -19.830 -1.806 -2.671 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -20.240 -2.057 -0.971 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -17.045 -3.258 -0.093 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -18.671 -2.875 0.482 1.00 0.00 H new ATOM 47 N GLY A 4 -12.780 -0.463 -4.472 1.00 0.00 N ATOM 48 CA GLY A 4 -11.400 -0.867 -4.663 1.00 0.00 C ATOM 49 C GLY A 4 -11.250 -1.936 -5.726 1.00 0.00 C ATOM 50 O GLY A 4 -12.070 -2.032 -6.639 1.00 0.00 O ATOM 0 H GLY A 4 -13.069 0.348 -5.019 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.805 0.003 -4.941 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.000 -1.239 -3.720 1.00 0.00 H new ATOM 54 N SER A 5 -10.199 -2.741 -5.610 1.00 0.00 N ATOM 55 CA SER A 5 -9.941 -3.806 -6.572 1.00 0.00 C ATOM 56 C SER A 5 -9.737 -5.142 -5.863 1.00 0.00 C ATOM 57 O SER A 5 -10.264 -6.170 -6.287 1.00 0.00 O ATOM 58 CB SER A 5 -8.711 -3.471 -7.417 1.00 0.00 C ATOM 59 OG SER A 5 -8.746 -4.149 -8.661 1.00 0.00 O ATOM 0 H SER A 5 -9.512 -2.676 -4.859 1.00 0.00 H new ATOM 0 HA SER A 5 -10.810 -3.891 -7.225 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.665 -2.395 -7.587 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.807 -3.747 -6.874 1.00 0.00 H new ATOM 0 HG SER A 5 -7.950 -3.917 -9.183 1.00 0.00 H new ATOM 64 N VAL A 6 -8.967 -5.118 -4.779 1.00 0.00 N ATOM 65 CA VAL A 6 -8.694 -6.325 -4.010 1.00 0.00 C ATOM 66 C VAL A 6 -9.983 -7.061 -3.665 1.00 0.00 C ATOM 67 O VAL A 6 -11.060 -6.466 -3.631 1.00 0.00 O ATOM 68 CB VAL A 6 -7.937 -6.001 -2.708 1.00 0.00 C ATOM 69 CG1 VAL A 6 -6.462 -5.761 -2.992 1.00 0.00 C ATOM 70 CG2 VAL A 6 -8.558 -4.797 -2.017 1.00 0.00 C ATOM 0 H VAL A 6 -8.522 -4.276 -4.415 1.00 0.00 H new ATOM 0 HA VAL A 6 -8.071 -6.964 -4.635 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.018 -6.858 -2.039 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.944 -5.534 -2.060 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -6.028 -6.655 -3.440 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.356 -4.922 -3.680 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.011 -4.582 -1.099 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.510 -3.932 -2.679 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.599 -5.012 -1.777 1.00 0.00 H new ATOM 80 N SER A 7 -9.866 -8.361 -3.410 1.00 0.00 N ATOM 81 CA SER A 7 -11.023 -9.181 -3.071 1.00 0.00 C ATOM 82 C SER A 7 -11.423 -8.980 -1.613 1.00 0.00 C ATOM 83 O SER A 7 -10.720 -8.316 -0.851 1.00 0.00 O ATOM 84 CB SER A 7 -10.722 -10.658 -3.330 1.00 0.00 C ATOM 85 OG SER A 7 -11.715 -11.244 -4.154 1.00 0.00 O ATOM 0 H SER A 7 -8.981 -8.868 -3.432 1.00 0.00 H new ATOM 0 HA SER A 7 -11.855 -8.871 -3.704 1.00 0.00 H new ATOM 0 HB2 SER A 7 -9.746 -10.755 -3.806 1.00 0.00 H new ATOM 0 HB3 SER A 7 -10.669 -11.193 -2.382 1.00 0.00 H new ATOM 0 HG SER A 7 -11.499 -12.188 -4.306 1.00 0.00 H new ATOM 90 N ASP A 8 -12.556 -9.559 -1.232 1.00 0.00 N ATOM 91 CA ASP A 8 -13.050 -9.446 0.136 1.00 0.00 C ATOM 92 C ASP A 8 -11.998 -9.918 1.135 1.00 0.00 C ATOM 93 O ASP A 8 -11.749 -9.260 2.145 1.00 0.00 O ATOM 94 CB ASP A 8 -14.335 -10.260 0.306 1.00 0.00 C ATOM 95 CG ASP A 8 -15.576 -9.392 0.286 1.00 0.00 C ATOM 96 OD1 ASP A 8 -15.562 -8.319 0.926 1.00 0.00 O ATOM 97 OD2 ASP A 8 -16.564 -9.784 -0.370 1.00 0.00 O ATOM 0 H ASP A 8 -13.150 -10.111 -1.851 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.266 -8.396 0.332 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.400 -11.001 -0.491 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.293 -10.807 1.248 1.00 0.00 H new ATOM 101 N GLU A 9 -11.386 -11.062 0.845 1.00 0.00 N ATOM 102 CA GLU A 9 -10.362 -11.622 1.721 1.00 0.00 C ATOM 103 C GLU A 9 -9.253 -10.606 1.980 1.00 0.00 C ATOM 104 O GLU A 9 -9.003 -10.224 3.122 1.00 0.00 O ATOM 105 CB GLU A 9 -9.772 -12.892 1.104 1.00 0.00 C ATOM 106 CG GLU A 9 -10.475 -14.165 1.543 1.00 0.00 C ATOM 107 CD GLU A 9 -9.982 -14.671 2.884 1.00 0.00 C ATOM 108 OE1 GLU A 9 -10.636 -15.568 3.456 1.00 0.00 O ATOM 109 OE2 GLU A 9 -8.944 -14.168 3.364 1.00 0.00 O ATOM 0 H GLU A 9 -11.580 -11.618 0.012 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.831 -11.873 2.673 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.822 -12.815 0.018 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.717 -12.959 1.370 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.548 -13.982 1.600 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.323 -14.938 0.789 1.00 0.00 H new ATOM 114 N GLU A 10 -8.593 -10.173 0.911 1.00 0.00 N ATOM 115 CA GLU A 10 -7.510 -9.204 1.023 1.00 0.00 C ATOM 116 C GLU A 10 -8.028 -7.866 1.544 1.00 0.00 C ATOM 117 O GLU A 10 -7.640 -7.415 2.620 1.00 0.00 O ATOM 118 CB GLU A 10 -6.830 -9.006 -0.334 1.00 0.00 C ATOM 119 CG GLU A 10 -5.346 -9.340 -0.324 1.00 0.00 C ATOM 120 CD GLU A 10 -5.016 -10.546 -1.182 1.00 0.00 C ATOM 121 OE1 GLU A 10 -5.648 -10.709 -2.247 1.00 0.00 O ATOM 122 OE2 GLU A 10 -4.126 -11.328 -0.787 1.00 0.00 O ATOM 0 H GLU A 10 -8.789 -10.478 -0.042 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.781 -9.594 1.734 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.329 -9.629 -1.076 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.959 -7.970 -0.648 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.781 -8.479 -0.681 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.026 -9.529 0.701 1.00 0.00 H new ATOM 127 N MET A 11 -8.908 -7.238 0.770 1.00 0.00 N ATOM 128 CA MET A 11 -9.481 -5.953 1.154 1.00 0.00 C ATOM 129 C MET A 11 -9.729 -5.895 2.658 1.00 0.00 C ATOM 130 O MET A 11 -9.449 -4.886 3.303 1.00 0.00 O ATOM 131 CB MET A 11 -10.790 -5.709 0.399 1.00 0.00 C ATOM 132 CG MET A 11 -11.360 -4.316 0.607 1.00 0.00 C ATOM 133 SD MET A 11 -10.120 -3.021 0.410 1.00 0.00 S ATOM 134 CE MET A 11 -10.692 -2.230 -1.091 1.00 0.00 C ATOM 0 H MET A 11 -9.239 -7.598 -0.125 1.00 0.00 H new ATOM 0 HA MET A 11 -8.767 -5.172 0.892 1.00 0.00 H new ATOM 0 HB2 MET A 11 -10.621 -5.868 -0.666 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.527 -6.446 0.718 1.00 0.00 H new ATOM 0 HG2 MET A 11 -12.170 -4.149 -0.103 1.00 0.00 H new ATOM 0 HG3 MET A 11 -11.793 -4.250 1.605 1.00 0.00 H new ATOM 0 HE1 MET A 11 -9.987 -1.452 -1.384 1.00 0.00 H new ATOM 0 HE2 MET A 11 -10.766 -2.971 -1.887 1.00 0.00 H new ATOM 0 HE3 MET A 11 -11.672 -1.785 -0.917 1.00 0.00 H new ATOM 142 N MET A 12 -10.257 -6.983 3.208 1.00 0.00 N ATOM 143 CA MET A 12 -10.541 -7.055 4.637 1.00 0.00 C ATOM 144 C MET A 12 -9.249 -7.068 5.448 1.00 0.00 C ATOM 145 O MET A 12 -9.101 -6.309 6.405 1.00 0.00 O ATOM 146 CB MET A 12 -11.368 -8.304 4.952 1.00 0.00 C ATOM 147 CG MET A 12 -11.970 -8.297 6.347 1.00 0.00 C ATOM 148 SD MET A 12 -10.919 -9.118 7.561 1.00 0.00 S ATOM 149 CE MET A 12 -11.952 -9.026 9.021 1.00 0.00 C ATOM 0 H MET A 12 -10.497 -7.826 2.687 1.00 0.00 H new ATOM 0 HA MET A 12 -11.114 -6.170 4.914 1.00 0.00 H new ATOM 0 HB2 MET A 12 -12.170 -8.393 4.219 1.00 0.00 H new ATOM 0 HB3 MET A 12 -10.736 -9.185 4.842 1.00 0.00 H new ATOM 0 HG2 MET A 12 -12.143 -7.267 6.659 1.00 0.00 H new ATOM 0 HG3 MET A 12 -12.942 -8.789 6.322 1.00 0.00 H new ATOM 0 HE1 MET A 12 -11.438 -9.494 9.861 1.00 0.00 H new ATOM 0 HE2 MET A 12 -12.156 -7.982 9.257 1.00 0.00 H new ATOM 0 HE3 MET A 12 -12.892 -9.546 8.835 1.00 0.00 H new ATOM 157 N GLU A 13 -8.320 -7.934 5.059 1.00 0.00 N ATOM 158 CA GLU A 13 -7.041 -8.045 5.752 1.00 0.00 C ATOM 159 C GLU A 13 -6.195 -6.794 5.535 1.00 0.00 C ATOM 160 O GLU A 13 -5.834 -6.101 6.488 1.00 0.00 O ATOM 161 CB GLU A 13 -6.280 -9.281 5.270 1.00 0.00 C ATOM 162 CG GLU A 13 -6.514 -10.514 6.127 1.00 0.00 C ATOM 163 CD GLU A 13 -5.434 -10.711 7.172 1.00 0.00 C ATOM 164 OE1 GLU A 13 -4.660 -11.684 7.048 1.00 0.00 O ATOM 165 OE2 GLU A 13 -5.361 -9.894 8.114 1.00 0.00 O ATOM 0 H GLU A 13 -8.428 -8.569 4.268 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.242 -8.146 6.819 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.575 -9.501 4.244 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.213 -9.057 5.254 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.482 -10.430 6.621 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.559 -11.394 5.486 1.00 0.00 H new ATOM 170 N LEU A 14 -5.880 -6.512 4.276 1.00 0.00 N ATOM 171 CA LEU A 14 -5.074 -5.346 3.931 1.00 0.00 C ATOM 172 C LEU A 14 -5.562 -4.108 4.677 1.00 0.00 C ATOM 173 O LEU A 14 -4.769 -3.378 5.273 1.00 0.00 O ATOM 174 CB LEU A 14 -5.120 -5.097 2.423 1.00 0.00 C ATOM 175 CG LEU A 14 -5.031 -6.339 1.534 1.00 0.00 C ATOM 176 CD1 LEU A 14 -4.949 -5.942 0.069 1.00 0.00 C ATOM 177 CD2 LEU A 14 -3.834 -7.192 1.927 1.00 0.00 C ATOM 0 H LEU A 14 -6.170 -7.075 3.477 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.045 -5.546 4.228 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.047 -4.573 2.190 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.301 -4.427 2.160 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.935 -6.931 1.678 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.886 -6.838 -0.548 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.839 -5.375 -0.205 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.063 -5.328 -0.092 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.787 -8.071 1.284 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.919 -6.610 1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.937 -7.507 2.965 1.00 0.00 H new ATOM 188 N ARG A 15 -6.871 -3.880 4.641 1.00 0.00 N ATOM 189 CA ARG A 15 -7.464 -2.731 5.315 1.00 0.00 C ATOM 190 C ARG A 15 -7.254 -2.817 6.824 1.00 0.00 C ATOM 191 O ARG A 15 -6.876 -1.837 7.464 1.00 0.00 O ATOM 192 CB ARG A 15 -8.958 -2.645 5.001 1.00 0.00 C ATOM 193 CG ARG A 15 -9.693 -1.591 5.814 1.00 0.00 C ATOM 194 CD ARG A 15 -10.465 -0.635 4.918 1.00 0.00 C ATOM 195 NE ARG A 15 -10.093 0.757 5.154 1.00 0.00 N ATOM 196 CZ ARG A 15 -10.496 1.457 6.209 1.00 0.00 C ATOM 197 NH1 ARG A 15 -11.279 0.897 7.121 1.00 0.00 N ATOM 198 NH2 ARG A 15 -10.116 2.720 6.355 1.00 0.00 N ATOM 0 H ARG A 15 -7.540 -4.475 4.153 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.970 -1.831 4.948 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.086 -2.428 3.941 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -9.416 -3.617 5.184 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -10.380 -2.078 6.506 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.978 -1.030 6.416 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.280 -0.888 3.874 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.534 -0.759 5.091 1.00 0.00 H new ATOM 0 HE ARG A 15 -9.491 1.217 4.472 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -11.573 -0.074 7.014 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -11.587 1.437 7.930 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.513 3.155 5.657 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.427 3.256 7.166 1.00 0.00 H new ATOM 209 N GLU A 16 -7.503 -3.996 7.384 1.00 0.00 N ATOM 210 CA GLU A 16 -7.343 -4.209 8.818 1.00 0.00 C ATOM 211 C GLU A 16 -5.986 -3.699 9.295 1.00 0.00 C ATOM 212 O GLU A 16 -5.909 -2.825 10.159 1.00 0.00 O ATOM 213 CB GLU A 16 -7.488 -5.695 9.155 1.00 0.00 C ATOM 214 CG GLU A 16 -8.829 -6.049 9.776 1.00 0.00 C ATOM 215 CD GLU A 16 -8.909 -5.678 11.243 1.00 0.00 C ATOM 216 OE1 GLU A 16 -9.653 -4.731 11.575 1.00 0.00 O ATOM 217 OE2 GLU A 16 -8.228 -6.331 12.060 1.00 0.00 O ATOM 0 H GLU A 16 -7.816 -4.818 6.867 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.124 -3.649 9.332 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.352 -6.280 8.246 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.692 -5.983 9.841 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.623 -5.538 9.232 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.005 -7.119 9.666 1.00 0.00 H new ATOM 222 N ALA A 17 -4.919 -4.252 8.728 1.00 0.00 N ATOM 223 CA ALA A 17 -3.566 -3.852 9.093 1.00 0.00 C ATOM 224 C ALA A 17 -3.338 -2.369 8.816 1.00 0.00 C ATOM 225 O ALA A 17 -2.946 -1.615 9.707 1.00 0.00 O ATOM 226 CB ALA A 17 -2.546 -4.695 8.342 1.00 0.00 C ATOM 0 H ALA A 17 -4.966 -4.979 8.014 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.440 -4.018 10.163 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.540 -4.385 8.624 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.686 -5.746 8.594 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.680 -4.558 7.269 1.00 0.00 H new ATOM 232 N PHE A 18 -3.585 -1.959 7.577 1.00 0.00 N ATOM 233 CA PHE A 18 -3.405 -0.566 7.183 1.00 0.00 C ATOM 234 C PHE A 18 -3.916 0.377 8.267 1.00 0.00 C ATOM 235 O PHE A 18 -3.323 1.423 8.526 1.00 0.00 O ATOM 236 CB PHE A 18 -4.131 -0.289 5.865 1.00 0.00 C ATOM 237 CG PHE A 18 -3.985 1.127 5.387 1.00 0.00 C ATOM 238 CD1 PHE A 18 -4.626 2.164 6.043 1.00 0.00 C ATOM 239 CD2 PHE A 18 -3.206 1.422 4.280 1.00 0.00 C ATOM 240 CE1 PHE A 18 -4.494 3.468 5.607 1.00 0.00 C ATOM 241 CE2 PHE A 18 -3.069 2.723 3.838 1.00 0.00 C ATOM 242 CZ PHE A 18 -3.714 3.748 4.501 1.00 0.00 C ATOM 0 H PHE A 18 -3.910 -2.571 6.828 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.338 -0.388 7.046 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.748 -0.964 5.100 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.190 -0.515 5.988 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.237 1.951 6.907 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.700 0.625 3.756 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -4.999 4.267 6.129 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.458 2.939 2.974 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.609 4.766 4.156 1.00 0.00 H new ATOM 251 N ALA A 19 -5.023 -0.003 8.899 1.00 0.00 N ATOM 252 CA ALA A 19 -5.615 0.808 9.956 1.00 0.00 C ATOM 253 C ALA A 19 -4.649 0.979 11.123 1.00 0.00 C ATOM 254 O ALA A 19 -4.373 2.098 11.556 1.00 0.00 O ATOM 255 CB ALA A 19 -6.917 0.182 10.433 1.00 0.00 C ATOM 0 H ALA A 19 -5.527 -0.867 8.697 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.827 1.796 9.547 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.349 0.797 11.222 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.616 0.117 9.600 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.720 -0.818 10.819 1.00 0.00 H new ATOM 261 N LYS A 20 -4.137 -0.139 11.631 1.00 0.00 N ATOM 262 CA LYS A 20 -3.201 -0.114 12.748 1.00 0.00 C ATOM 263 C LYS A 20 -1.985 0.747 12.420 1.00 0.00 C ATOM 264 O LYS A 20 -1.278 1.207 13.316 1.00 0.00 O ATOM 265 CB LYS A 20 -2.754 -1.535 13.096 1.00 0.00 C ATOM 266 CG LYS A 20 -3.666 -2.234 14.089 1.00 0.00 C ATOM 267 CD LYS A 20 -4.955 -2.697 13.433 1.00 0.00 C ATOM 268 CE LYS A 20 -4.751 -3.983 12.648 1.00 0.00 C ATOM 269 NZ LYS A 20 -4.637 -5.168 13.543 1.00 0.00 N ATOM 0 H LYS A 20 -4.356 -1.073 11.286 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.711 0.321 13.608 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.706 -2.126 12.181 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.745 -1.499 13.506 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.148 -3.091 14.519 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.898 -1.556 14.911 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.717 -2.853 14.196 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.326 -1.918 12.767 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.586 -4.126 11.962 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.850 -3.899 12.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.669 -6.038 12.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.736 -5.126 14.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.426 -5.169 14.220 1.00 0.00 H new ATOM 279 N VAL A 21 -1.750 0.963 11.129 1.00 0.00 N ATOM 280 CA VAL A 21 -0.621 1.771 10.683 1.00 0.00 C ATOM 281 C VAL A 21 -1.092 3.093 10.089 1.00 0.00 C ATOM 282 O VAL A 21 -0.293 3.875 9.576 1.00 0.00 O ATOM 283 CB VAL A 21 0.227 1.023 9.637 1.00 0.00 C ATOM 284 CG1 VAL A 21 1.551 0.581 10.239 1.00 0.00 C ATOM 285 CG2 VAL A 21 -0.541 -0.167 9.083 1.00 0.00 C ATOM 0 H VAL A 21 -2.326 0.590 10.374 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.007 1.969 11.562 1.00 0.00 H new ATOM 0 HB VAL A 21 0.441 1.704 8.813 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.136 0.054 9.485 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.104 1.455 10.582 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.363 -0.084 11.082 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.072 -0.684 8.345 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.787 -0.851 9.895 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.460 0.181 8.611 1.00 0.00 H new ATOM 295 N ASP A 22 -2.397 3.336 10.161 1.00 0.00 N ATOM 296 CA ASP A 22 -2.976 4.565 9.632 1.00 0.00 C ATOM 297 C ASP A 22 -3.014 5.653 10.700 1.00 0.00 C ATOM 298 O ASP A 22 -4.069 5.951 11.261 1.00 0.00 O ATOM 299 CB ASP A 22 -4.387 4.302 9.103 1.00 0.00 C ATOM 300 CG ASP A 22 -5.104 5.578 8.706 1.00 0.00 C ATOM 301 OD1 ASP A 22 -6.353 5.572 8.674 1.00 0.00 O ATOM 302 OD2 ASP A 22 -4.416 6.583 8.429 1.00 0.00 O ATOM 0 H ASP A 22 -3.073 2.698 10.581 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.347 4.910 8.812 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -4.331 3.637 8.241 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.968 3.785 9.867 1.00 0.00 H new ATOM 306 N THR A 23 -1.855 6.241 10.980 1.00 0.00 N ATOM 307 CA THR A 23 -1.755 7.295 11.983 1.00 0.00 C ATOM 308 C THR A 23 -2.780 8.394 11.730 1.00 0.00 C ATOM 309 O THR A 23 -3.453 8.853 12.653 1.00 0.00 O ATOM 310 CB THR A 23 -0.346 7.917 12.005 1.00 0.00 C ATOM 311 OG1 THR A 23 0.061 8.256 10.675 1.00 0.00 O ATOM 312 CG2 THR A 23 0.660 6.956 12.619 1.00 0.00 C ATOM 0 H THR A 23 -0.972 6.005 10.526 1.00 0.00 H new ATOM 0 HA THR A 23 -1.955 6.832 12.949 1.00 0.00 H new ATOM 0 HB THR A 23 -0.381 8.820 12.615 1.00 0.00 H new ATOM 0 HG1 THR A 23 0.957 8.652 10.698 1.00 0.00 H new ATOM 0 HG21 THR A 23 1.648 7.417 12.624 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.363 6.723 13.642 1.00 0.00 H new ATOM 0 HG23 THR A 23 0.691 6.038 12.032 1.00 0.00 H new ATOM 320 N ASP A 24 -2.894 8.813 10.474 1.00 0.00 N ATOM 321 CA ASP A 24 -3.839 9.858 10.099 1.00 0.00 C ATOM 322 C ASP A 24 -5.273 9.427 10.398 1.00 0.00 C ATOM 323 O ASP A 24 -6.150 10.262 10.609 1.00 0.00 O ATOM 324 CB ASP A 24 -3.695 10.197 8.615 1.00 0.00 C ATOM 325 CG ASP A 24 -2.433 10.985 8.321 1.00 0.00 C ATOM 326 OD1 ASP A 24 -2.323 12.132 8.804 1.00 0.00 O ATOM 327 OD2 ASP A 24 -1.554 10.454 7.611 1.00 0.00 O ATOM 0 H ASP A 24 -2.343 8.445 9.698 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.614 10.746 10.690 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.688 9.275 8.034 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.563 10.772 8.291 1.00 0.00 H new ATOM 331 N GLY A 25 -5.501 8.118 10.412 1.00 0.00 N ATOM 332 CA GLY A 25 -6.829 7.599 10.684 1.00 0.00 C ATOM 333 C GLY A 25 -7.812 7.912 9.573 1.00 0.00 C ATOM 334 O GLY A 25 -9.007 7.651 9.702 1.00 0.00 O ATOM 0 H GLY A 25 -4.790 7.407 10.240 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.773 6.519 10.822 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.196 8.021 11.620 1.00 0.00 H new ATOM 338 N ASN A 26 -7.307 8.471 8.479 1.00 0.00 N ATOM 339 CA ASN A 26 -8.150 8.820 7.341 1.00 0.00 C ATOM 340 C ASN A 26 -7.807 7.964 6.126 1.00 0.00 C ATOM 341 O ASN A 26 -8.086 8.341 4.988 1.00 0.00 O ATOM 342 CB ASN A 26 -7.988 10.303 6.997 1.00 0.00 C ATOM 343 CG ASN A 26 -8.002 11.188 8.228 1.00 0.00 C ATOM 344 OD1 ASN A 26 -6.876 11.839 8.501 1.00 0.00 O flip ATOM 345 ND2 ASN A 26 -9.012 11.285 8.925 1.00 0.00 N flip ATOM 0 H ASN A 26 -6.319 8.692 8.356 1.00 0.00 H new ATOM 0 HA ASN A 26 -9.187 8.628 7.616 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.051 10.448 6.460 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -8.791 10.607 6.325 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -9.855 10.766 8.677 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -9.006 11.884 9.750 1.00 0.00 H new ATOM 351 N GLY A 27 -7.200 6.808 6.376 1.00 0.00 N ATOM 352 CA GLY A 27 -6.830 5.915 5.294 1.00 0.00 C ATOM 353 C GLY A 27 -5.516 6.305 4.645 1.00 0.00 C ATOM 354 O GLY A 27 -5.325 6.103 3.446 1.00 0.00 O ATOM 0 H GLY A 27 -6.958 6.474 7.309 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.755 4.897 5.676 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.618 5.915 4.541 1.00 0.00 H new ATOM 358 N TYR A 28 -4.611 6.867 5.437 1.00 0.00 N ATOM 359 CA TYR A 28 -3.310 7.289 4.932 1.00 0.00 C ATOM 360 C TYR A 28 -2.181 6.703 5.773 1.00 0.00 C ATOM 361 O TYR A 28 -2.277 6.635 6.999 1.00 0.00 O ATOM 362 CB TYR A 28 -3.215 8.816 4.924 1.00 0.00 C ATOM 363 CG TYR A 28 -3.471 9.431 3.566 1.00 0.00 C ATOM 364 CD1 TYR A 28 -2.448 9.553 2.634 1.00 0.00 C ATOM 365 CD2 TYR A 28 -4.734 9.892 3.217 1.00 0.00 C ATOM 366 CE1 TYR A 28 -2.677 10.116 1.393 1.00 0.00 C ATOM 367 CE2 TYR A 28 -4.972 10.454 1.977 1.00 0.00 C ATOM 368 CZ TYR A 28 -3.941 10.564 1.070 1.00 0.00 C ATOM 369 OH TYR A 28 -4.173 11.124 -0.166 1.00 0.00 O ATOM 0 H TYR A 28 -4.754 7.041 6.432 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.207 6.918 3.912 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -3.933 9.220 5.638 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -2.223 9.112 5.267 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -1.458 9.202 2.883 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -5.544 9.810 3.927 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.871 10.205 0.680 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -5.961 10.805 1.721 1.00 0.00 H new ATOM 0 HH TYR A 28 -5.115 11.387 -0.235 1.00 0.00 H new ATOM 378 N ILE A 29 -1.112 6.282 5.106 1.00 0.00 N ATOM 379 CA ILE A 29 0.037 5.703 5.792 1.00 0.00 C ATOM 380 C ILE A 29 1.345 6.192 5.183 1.00 0.00 C ATOM 381 O ILE A 29 1.419 6.469 3.986 1.00 0.00 O ATOM 382 CB ILE A 29 0.005 4.163 5.742 1.00 0.00 C ATOM 383 CG1 ILE A 29 0.067 3.677 4.293 1.00 0.00 C ATOM 384 CG2 ILE A 29 -1.246 3.636 6.430 1.00 0.00 C ATOM 385 CD1 ILE A 29 0.244 2.180 4.164 1.00 0.00 C ATOM 0 H ILE A 29 -1.017 6.331 4.092 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.020 6.027 6.831 1.00 0.00 H new ATOM 0 HB ILE A 29 0.876 3.779 6.272 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.848 3.972 3.780 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.892 4.177 3.786 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.254 2.547 6.386 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.251 3.957 7.472 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.130 4.026 5.926 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.280 1.907 3.109 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.174 1.881 4.648 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.594 1.672 4.642 1.00 0.00 H new ATOM 396 N SER A 30 2.377 6.296 6.014 1.00 0.00 N ATOM 397 CA SER A 30 3.684 6.755 5.558 1.00 0.00 C ATOM 398 C SER A 30 4.450 5.624 4.879 1.00 0.00 C ATOM 399 O SER A 30 4.134 4.448 5.059 1.00 0.00 O ATOM 400 CB SER A 30 4.495 7.302 6.734 1.00 0.00 C ATOM 401 OG SER A 30 5.867 7.415 6.399 1.00 0.00 O ATOM 0 H SER A 30 2.333 6.068 7.007 1.00 0.00 H new ATOM 0 HA SER A 30 3.529 7.553 4.831 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.107 8.278 7.025 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.381 6.644 7.596 1.00 0.00 H new ATOM 0 HG SER A 30 6.363 7.768 7.167 1.00 0.00 H new ATOM 406 N PHE A 31 5.459 5.989 4.095 1.00 0.00 N ATOM 407 CA PHE A 31 6.271 5.006 3.387 1.00 0.00 C ATOM 408 C PHE A 31 6.646 3.847 4.305 1.00 0.00 C ATOM 409 O PHE A 31 6.387 2.686 3.994 1.00 0.00 O ATOM 410 CB PHE A 31 7.537 5.663 2.834 1.00 0.00 C ATOM 411 CG PHE A 31 7.518 5.839 1.342 1.00 0.00 C ATOM 412 CD1 PHE A 31 8.309 5.045 0.528 1.00 0.00 C ATOM 413 CD2 PHE A 31 6.710 6.799 0.754 1.00 0.00 C ATOM 414 CE1 PHE A 31 8.293 5.203 -0.845 1.00 0.00 C ATOM 415 CE2 PHE A 31 6.691 6.963 -0.618 1.00 0.00 C ATOM 416 CZ PHE A 31 7.484 6.164 -1.419 1.00 0.00 C ATOM 0 H PHE A 31 5.734 6.958 3.934 1.00 0.00 H new ATOM 0 HA PHE A 31 5.681 4.614 2.558 1.00 0.00 H new ATOM 0 HB2 PHE A 31 7.667 6.637 3.305 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.401 5.058 3.110 1.00 0.00 H new ATOM 0 HD1 PHE A 31 8.946 4.294 0.971 1.00 0.00 H new ATOM 0 HD2 PHE A 31 6.088 7.426 1.375 1.00 0.00 H new ATOM 0 HE1 PHE A 31 8.913 4.575 -1.468 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.057 7.715 -1.064 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.471 6.291 -2.491 1.00 0.00 H new ATOM 425 N ASN A 32 7.258 4.172 5.440 1.00 0.00 N ATOM 426 CA ASN A 32 7.670 3.159 6.404 1.00 0.00 C ATOM 427 C ASN A 32 6.485 2.295 6.825 1.00 0.00 C ATOM 428 O ASN A 32 6.578 1.069 6.855 1.00 0.00 O ATOM 429 CB ASN A 32 8.298 3.819 7.633 1.00 0.00 C ATOM 430 CG ASN A 32 9.709 4.308 7.370 1.00 0.00 C ATOM 431 OD1 ASN A 32 10.407 3.783 6.502 1.00 0.00 O ATOM 432 ND2 ASN A 32 10.136 5.316 8.121 1.00 0.00 N ATOM 0 H ASN A 32 7.479 5.129 5.714 1.00 0.00 H new ATOM 0 HA ASN A 32 8.412 2.519 5.926 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.678 4.659 7.947 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.311 3.106 8.458 1.00 0.00 H new ATOM 0 HD21 ASN A 32 11.077 5.686 7.990 1.00 0.00 H new ATOM 0 HD22 ASN A 32 9.523 5.720 8.829 1.00 0.00 H new ATOM 438 N GLU A 33 5.372 2.945 7.150 1.00 0.00 N ATOM 439 CA GLU A 33 4.169 2.237 7.570 1.00 0.00 C ATOM 440 C GLU A 33 3.697 1.275 6.484 1.00 0.00 C ATOM 441 O GLU A 33 3.262 0.159 6.773 1.00 0.00 O ATOM 442 CB GLU A 33 3.055 3.230 7.906 1.00 0.00 C ATOM 443 CG GLU A 33 3.422 4.205 9.012 1.00 0.00 C ATOM 444 CD GLU A 33 4.569 3.708 9.871 1.00 0.00 C ATOM 445 OE1 GLU A 33 5.679 4.269 9.759 1.00 0.00 O ATOM 446 OE2 GLU A 33 4.358 2.758 10.653 1.00 0.00 O ATOM 0 H GLU A 33 5.279 3.961 7.130 1.00 0.00 H new ATOM 0 HA GLU A 33 4.412 1.660 8.462 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.798 3.792 7.008 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.164 2.677 8.202 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.693 5.164 8.571 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.550 4.379 9.642 1.00 0.00 H new ATOM 451 N LEU A 34 3.784 1.716 5.233 1.00 0.00 N ATOM 452 CA LEU A 34 3.366 0.895 4.102 1.00 0.00 C ATOM 453 C LEU A 34 4.099 -0.443 4.098 1.00 0.00 C ATOM 454 O LEU A 34 3.484 -1.499 4.239 1.00 0.00 O ATOM 455 CB LEU A 34 3.622 1.634 2.788 1.00 0.00 C ATOM 456 CG LEU A 34 3.800 0.757 1.548 1.00 0.00 C ATOM 457 CD1 LEU A 34 2.568 -0.104 1.322 1.00 0.00 C ATOM 458 CD2 LEU A 34 4.085 1.615 0.324 1.00 0.00 C ATOM 0 H LEU A 34 4.140 2.637 4.977 1.00 0.00 H new ATOM 0 HA LEU A 34 2.298 0.702 4.201 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.790 2.316 2.610 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.516 2.246 2.907 1.00 0.00 H new ATOM 0 HG LEU A 34 4.653 0.099 1.712 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.713 -0.721 0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.409 -0.746 2.189 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.698 0.537 1.180 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.209 0.974 -0.549 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.253 2.299 0.157 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.998 2.188 0.486 1.00 0.00 H new ATOM 469 N ASN A 35 5.417 -0.388 3.939 1.00 0.00 N ATOM 470 CA ASN A 35 6.235 -1.595 3.919 1.00 0.00 C ATOM 471 C ASN A 35 5.884 -2.510 5.090 1.00 0.00 C ATOM 472 O ASN A 35 5.724 -3.718 4.920 1.00 0.00 O ATOM 473 CB ASN A 35 7.721 -1.231 3.969 1.00 0.00 C ATOM 474 CG ASN A 35 8.617 -2.454 3.946 1.00 0.00 C ATOM 475 OD1 ASN A 35 8.540 -3.310 4.829 1.00 0.00 O ATOM 476 ND2 ASN A 35 9.472 -2.542 2.934 1.00 0.00 N ATOM 0 H ASN A 35 5.941 0.479 3.822 1.00 0.00 H new ATOM 0 HA ASN A 35 6.030 -2.127 2.990 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.964 -0.590 3.121 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.921 -0.655 4.872 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.100 -3.343 2.865 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.501 -1.809 2.225 1.00 0.00 H new ATOM 482 N ASP A 36 5.766 -1.923 6.276 1.00 0.00 N ATOM 483 CA ASP A 36 5.433 -2.683 7.475 1.00 0.00 C ATOM 484 C ASP A 36 4.051 -3.316 7.349 1.00 0.00 C ATOM 485 O ASP A 36 3.829 -4.442 7.798 1.00 0.00 O ATOM 486 CB ASP A 36 5.485 -1.780 8.707 1.00 0.00 C ATOM 487 CG ASP A 36 6.869 -1.214 8.953 1.00 0.00 C ATOM 488 OD1 ASP A 36 7.857 -1.858 8.538 1.00 0.00 O ATOM 489 OD2 ASP A 36 6.966 -0.127 9.558 1.00 0.00 O ATOM 0 H ASP A 36 5.896 -0.924 6.433 1.00 0.00 H new ATOM 0 HA ASP A 36 6.168 -3.479 7.588 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.777 -0.960 8.583 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.167 -2.346 9.582 1.00 0.00 H new ATOM 493 N LEU A 37 3.124 -2.586 6.740 1.00 0.00 N ATOM 494 CA LEU A 37 1.763 -3.075 6.556 1.00 0.00 C ATOM 495 C LEU A 37 1.739 -4.291 5.636 1.00 0.00 C ATOM 496 O LEU A 37 1.009 -5.252 5.877 1.00 0.00 O ATOM 497 CB LEU A 37 0.875 -1.969 5.981 1.00 0.00 C ATOM 498 CG LEU A 37 -0.263 -2.428 5.069 1.00 0.00 C ATOM 499 CD1 LEU A 37 -1.168 -3.410 5.797 1.00 0.00 C ATOM 500 CD2 LEU A 37 -1.063 -1.233 4.572 1.00 0.00 C ATOM 0 H LEU A 37 3.290 -1.652 6.365 1.00 0.00 H new ATOM 0 HA LEU A 37 1.377 -3.373 7.531 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.445 -1.408 6.811 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.506 -1.278 5.422 1.00 0.00 H new ATOM 0 HG LEU A 37 0.171 -2.935 4.207 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.972 -3.726 5.132 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.588 -4.280 6.104 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.593 -2.929 6.678 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.869 -1.579 3.924 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.485 -0.699 5.423 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.409 -0.565 4.012 1.00 0.00 H new ATOM 511 N PHE A 38 2.545 -4.243 4.580 1.00 0.00 N ATOM 512 CA PHE A 38 2.619 -5.341 3.623 1.00 0.00 C ATOM 513 C PHE A 38 2.983 -6.648 4.322 1.00 0.00 C ATOM 514 O PHE A 38 2.272 -7.646 4.208 1.00 0.00 O ATOM 515 CB PHE A 38 3.647 -5.029 2.535 1.00 0.00 C ATOM 516 CG PHE A 38 3.036 -4.800 1.181 1.00 0.00 C ATOM 517 CD1 PHE A 38 2.536 -3.556 0.834 1.00 0.00 C ATOM 518 CD2 PHE A 38 2.962 -5.830 0.258 1.00 0.00 C ATOM 519 CE1 PHE A 38 1.974 -3.342 -0.411 1.00 0.00 C ATOM 520 CE2 PHE A 38 2.401 -5.623 -0.989 1.00 0.00 C ATOM 521 CZ PHE A 38 1.906 -4.378 -1.322 1.00 0.00 C ATOM 0 H PHE A 38 3.156 -3.455 4.365 1.00 0.00 H new ATOM 0 HA PHE A 38 1.637 -5.456 3.163 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.213 -4.143 2.824 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.357 -5.854 2.470 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.586 -2.744 1.544 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.347 -6.806 0.515 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.589 -2.367 -0.671 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.350 -6.434 -1.701 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.466 -4.214 -2.294 1.00 0.00 H new ATOM 530 N LYS A 39 4.096 -6.633 5.047 1.00 0.00 N ATOM 531 CA LYS A 39 4.557 -7.815 5.767 1.00 0.00 C ATOM 532 C LYS A 39 3.641 -8.126 6.946 1.00 0.00 C ATOM 533 O LYS A 39 3.352 -9.289 7.231 1.00 0.00 O ATOM 534 CB LYS A 39 5.990 -7.611 6.261 1.00 0.00 C ATOM 535 CG LYS A 39 6.916 -7.018 5.213 1.00 0.00 C ATOM 536 CD LYS A 39 8.373 -7.326 5.518 1.00 0.00 C ATOM 537 CE LYS A 39 8.683 -8.802 5.325 1.00 0.00 C ATOM 538 NZ LYS A 39 10.121 -9.030 5.012 1.00 0.00 N ATOM 0 H LYS A 39 4.696 -5.815 5.152 1.00 0.00 H new ATOM 0 HA LYS A 39 4.534 -8.660 5.079 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.975 -6.957 7.133 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.392 -8.570 6.589 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.657 -7.414 4.231 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.773 -5.938 5.169 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.015 -6.730 4.869 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.600 -7.037 6.544 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.417 -9.350 6.229 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.068 -9.200 4.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.292 -10.048 4.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.369 -8.528 4.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.707 -8.674 5.794 1.00 0.00 H new ATOM 548 N ALA A 40 3.184 -7.080 7.627 1.00 0.00 N ATOM 549 CA ALA A 40 2.298 -7.242 8.773 1.00 0.00 C ATOM 550 C ALA A 40 1.003 -7.941 8.371 1.00 0.00 C ATOM 551 O ALA A 40 0.418 -8.683 9.159 1.00 0.00 O ATOM 552 CB ALA A 40 1.996 -5.890 9.401 1.00 0.00 C ATOM 0 H ALA A 40 3.413 -6.111 7.405 1.00 0.00 H new ATOM 0 HA ALA A 40 2.805 -7.867 9.508 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.333 -6.026 10.256 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.925 -5.427 9.732 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.513 -5.247 8.666 1.00 0.00 H new ATOM 558 N ALA A 41 0.563 -7.698 7.141 1.00 0.00 N ATOM 559 CA ALA A 41 -0.662 -8.306 6.635 1.00 0.00 C ATOM 560 C ALA A 41 -0.364 -9.606 5.895 1.00 0.00 C ATOM 561 O ALA A 41 -1.189 -10.093 5.120 1.00 0.00 O ATOM 562 CB ALA A 41 -1.396 -7.333 5.723 1.00 0.00 C ATOM 0 H ALA A 41 1.036 -7.085 6.477 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.301 -8.541 7.486 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.309 -7.800 5.352 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.650 -6.432 6.281 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.756 -7.070 4.881 1.00 0.00 H new ATOM 568 N CYS A 42 0.816 -10.162 6.139 1.00 0.00 N ATOM 569 CA CYS A 42 1.223 -11.407 5.494 1.00 0.00 C ATOM 570 C CYS A 42 1.030 -11.325 3.984 1.00 0.00 C ATOM 571 O CYS A 42 0.280 -12.108 3.399 1.00 0.00 O ATOM 572 CB CYS A 42 0.425 -12.582 6.060 1.00 0.00 C ATOM 573 SG CYS A 42 0.860 -13.021 7.759 1.00 0.00 S ATOM 0 H CYS A 42 1.509 -9.772 6.778 1.00 0.00 H new ATOM 0 HA CYS A 42 2.282 -11.565 5.698 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.637 -12.339 6.020 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.577 -13.452 5.421 1.00 0.00 H new ATOM 0 HG CYS A 42 0.130 -14.024 8.149 1.00 0.00 H new ATOM 578 N LEU A 43 1.709 -10.371 3.356 1.00 0.00 N ATOM 579 CA LEU A 43 1.611 -10.184 1.913 1.00 0.00 C ATOM 580 C LEU A 43 2.517 -11.165 1.175 1.00 0.00 C ATOM 581 O LEU A 43 3.524 -11.635 1.702 1.00 0.00 O ATOM 582 CB LEU A 43 1.981 -8.749 1.538 1.00 0.00 C ATOM 583 CG LEU A 43 0.842 -7.729 1.578 1.00 0.00 C ATOM 584 CD1 LEU A 43 0.216 -7.575 0.201 1.00 0.00 C ATOM 585 CD2 LEU A 43 -0.207 -8.141 2.600 1.00 0.00 C ATOM 0 H LEU A 43 2.334 -9.715 3.824 1.00 0.00 H new ATOM 0 HA LEU A 43 0.580 -10.375 1.616 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.769 -8.411 2.211 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.402 -8.755 0.532 1.00 0.00 H new ATOM 0 HG LEU A 43 1.253 -6.765 1.878 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.592 -6.845 0.248 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.972 -7.234 -0.506 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.181 -8.535 -0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.010 -7.404 2.615 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.614 -9.116 2.331 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.250 -8.199 3.588 1.00 0.00 H new ATOM 596 N PRO A 44 2.152 -11.480 -0.077 1.00 0.00 N ATOM 597 CA PRO A 44 2.920 -12.406 -0.915 1.00 0.00 C ATOM 598 C PRO A 44 4.259 -11.819 -1.348 1.00 0.00 C ATOM 599 O PRO A 44 5.279 -12.510 -1.350 1.00 0.00 O ATOM 600 CB PRO A 44 2.013 -12.619 -2.130 1.00 0.00 C ATOM 601 CG PRO A 44 1.169 -11.393 -2.194 1.00 0.00 C ATOM 602 CD PRO A 44 0.962 -10.958 -0.769 1.00 0.00 C ATOM 0 HA PRO A 44 3.169 -13.325 -0.385 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.596 -12.746 -3.042 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.402 -13.514 -2.016 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.660 -10.611 -2.773 1.00 0.00 H new ATOM 0 HG3 PRO A 44 0.216 -11.600 -2.681 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.892 -9.873 -0.686 1.00 0.00 H new ATOM 0 HD3 PRO A 44 0.042 -11.369 -0.353 1.00 0.00 H new ATOM 607 N LEU A 45 4.250 -10.543 -1.716 1.00 0.00 N ATOM 608 CA LEU A 45 5.466 -9.864 -2.150 1.00 0.00 C ATOM 609 C LEU A 45 6.468 -9.755 -1.007 1.00 0.00 C ATOM 610 O LEU A 45 6.102 -9.619 0.161 1.00 0.00 O ATOM 611 CB LEU A 45 5.131 -8.469 -2.685 1.00 0.00 C ATOM 612 CG LEU A 45 4.094 -8.412 -3.808 1.00 0.00 C ATOM 613 CD1 LEU A 45 4.380 -7.245 -4.739 1.00 0.00 C ATOM 614 CD2 LEU A 45 4.074 -9.722 -4.582 1.00 0.00 C ATOM 0 H LEU A 45 3.415 -9.958 -1.723 1.00 0.00 H new ATOM 0 HA LEU A 45 5.917 -10.455 -2.947 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.772 -7.860 -1.855 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.052 -8.009 -3.044 1.00 0.00 H new ATOM 0 HG LEU A 45 3.111 -8.262 -3.362 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.632 -7.220 -5.532 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.343 -6.313 -4.176 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.370 -7.364 -5.178 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.331 -9.664 -5.377 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.057 -9.903 -5.017 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.820 -10.539 -3.907 1.00 0.00 H new ATOM 625 N PRO A 46 7.765 -9.812 -1.347 1.00 0.00 N ATOM 626 CA PRO A 46 8.846 -9.719 -0.363 1.00 0.00 C ATOM 627 C PRO A 46 8.965 -8.322 0.238 1.00 0.00 C ATOM 628 O PRO A 46 8.091 -7.478 0.047 1.00 0.00 O ATOM 629 CB PRO A 46 10.097 -10.059 -1.176 1.00 0.00 C ATOM 630 CG PRO A 46 9.745 -9.700 -2.579 1.00 0.00 C ATOM 631 CD PRO A 46 8.273 -9.972 -2.720 1.00 0.00 C ATOM 0 HA PRO A 46 8.681 -10.381 0.487 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.961 -9.494 -0.828 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.351 -11.115 -1.089 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.969 -8.653 -2.782 1.00 0.00 H new ATOM 0 HG3 PRO A 46 10.321 -10.293 -3.290 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.799 -9.272 -3.408 1.00 0.00 H new ATOM 0 HD3 PRO A 46 8.084 -10.974 -3.104 1.00 0.00 H new ATOM 636 N GLY A 47 10.053 -8.086 0.964 1.00 0.00 N ATOM 637 CA GLY A 47 10.267 -6.790 1.581 1.00 0.00 C ATOM 638 C GLY A 47 10.843 -5.775 0.614 1.00 0.00 C ATOM 639 O GLY A 47 10.465 -4.604 0.632 1.00 0.00 O ATOM 0 H GLY A 47 10.790 -8.769 1.136 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.321 -6.417 1.973 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.942 -6.902 2.430 1.00 0.00 H new ATOM 643 N TYR A 48 11.763 -6.224 -0.234 1.00 0.00 N ATOM 644 CA TYR A 48 12.396 -5.346 -1.210 1.00 0.00 C ATOM 645 C TYR A 48 11.406 -4.934 -2.296 1.00 0.00 C ATOM 646 O TYR A 48 11.418 -3.795 -2.763 1.00 0.00 O ATOM 647 CB TYR A 48 13.605 -6.039 -1.842 1.00 0.00 C ATOM 648 CG TYR A 48 13.249 -7.289 -2.615 1.00 0.00 C ATOM 649 CD1 TYR A 48 13.235 -8.533 -1.995 1.00 0.00 C ATOM 650 CD2 TYR A 48 12.929 -7.227 -3.966 1.00 0.00 C ATOM 651 CE1 TYR A 48 12.912 -9.677 -2.697 1.00 0.00 C ATOM 652 CE2 TYR A 48 12.604 -8.367 -4.675 1.00 0.00 C ATOM 653 CZ TYR A 48 12.597 -9.590 -4.037 1.00 0.00 C ATOM 654 OH TYR A 48 12.274 -10.728 -4.740 1.00 0.00 O ATOM 0 H TYR A 48 12.086 -7.191 -0.264 1.00 0.00 H new ATOM 0 HA TYR A 48 12.731 -4.448 -0.690 1.00 0.00 H new ATOM 0 HB2 TYR A 48 14.107 -5.339 -2.510 1.00 0.00 H new ATOM 0 HB3 TYR A 48 14.317 -6.297 -1.058 1.00 0.00 H new ATOM 0 HD1 TYR A 48 13.481 -8.606 -0.946 1.00 0.00 H new ATOM 0 HD2 TYR A 48 12.935 -6.272 -4.470 1.00 0.00 H new ATOM 0 HE1 TYR A 48 12.906 -10.635 -2.199 1.00 0.00 H new ATOM 0 HE2 TYR A 48 12.356 -8.301 -5.724 1.00 0.00 H new ATOM 0 HH TYR A 48 12.077 -10.493 -5.671 1.00 0.00 H new ATOM 663 N ARG A 49 10.550 -5.871 -2.692 1.00 0.00 N ATOM 664 CA ARG A 49 9.552 -5.606 -3.723 1.00 0.00 C ATOM 665 C ARG A 49 8.675 -4.419 -3.338 1.00 0.00 C ATOM 666 O ARG A 49 8.507 -3.481 -4.117 1.00 0.00 O ATOM 667 CB ARG A 49 8.683 -6.844 -3.949 1.00 0.00 C ATOM 668 CG ARG A 49 9.197 -7.757 -5.051 1.00 0.00 C ATOM 669 CD ARG A 49 8.462 -7.518 -6.361 1.00 0.00 C ATOM 670 NE ARG A 49 9.262 -6.742 -7.304 1.00 0.00 N ATOM 671 CZ ARG A 49 8.853 -6.421 -8.526 1.00 0.00 C ATOM 672 NH1 ARG A 49 7.657 -6.807 -8.950 1.00 0.00 N ATOM 673 NH2 ARG A 49 9.639 -5.712 -9.326 1.00 0.00 N ATOM 0 H ARG A 49 10.527 -6.819 -2.316 1.00 0.00 H new ATOM 0 HA ARG A 49 10.076 -5.363 -4.648 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.622 -7.410 -3.019 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.670 -6.526 -4.195 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.264 -7.589 -5.196 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.076 -8.797 -4.749 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.201 -8.476 -6.810 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.527 -6.994 -6.162 1.00 0.00 H new ATOM 0 HE ARG A 49 10.186 -6.429 -7.008 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.050 -7.351 -8.337 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.344 -6.560 -9.889 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.559 -5.413 -9.003 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.323 -5.466 -10.264 1.00 0.00 H new ATOM 684 N VAL A 50 8.117 -4.467 -2.133 1.00 0.00 N ATOM 685 CA VAL A 50 7.257 -3.396 -1.645 1.00 0.00 C ATOM 686 C VAL A 50 8.030 -2.087 -1.514 1.00 0.00 C ATOM 687 O VAL A 50 7.651 -1.071 -2.094 1.00 0.00 O ATOM 688 CB VAL A 50 6.636 -3.752 -0.281 1.00 0.00 C ATOM 689 CG1 VAL A 50 5.658 -2.672 0.158 1.00 0.00 C ATOM 690 CG2 VAL A 50 5.953 -5.109 -0.345 1.00 0.00 C ATOM 0 H VAL A 50 8.245 -5.237 -1.476 1.00 0.00 H new ATOM 0 HA VAL A 50 6.459 -3.272 -2.377 1.00 0.00 H new ATOM 0 HB VAL A 50 7.434 -3.808 0.459 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.229 -2.940 1.123 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.182 -1.720 0.246 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.861 -2.581 -0.580 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.520 -5.345 0.627 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.165 -5.084 -1.097 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.684 -5.872 -0.611 1.00 0.00 H new ATOM 700 N ARG A 51 9.115 -2.123 -0.747 1.00 0.00 N ATOM 701 CA ARG A 51 9.941 -0.940 -0.539 1.00 0.00 C ATOM 702 C ARG A 51 10.378 -0.339 -1.873 1.00 0.00 C ATOM 703 O ARG A 51 10.419 0.880 -2.031 1.00 0.00 O ATOM 704 CB ARG A 51 11.170 -1.291 0.300 1.00 0.00 C ATOM 705 CG ARG A 51 11.702 -0.126 1.120 1.00 0.00 C ATOM 706 CD ARG A 51 13.079 0.308 0.641 1.00 0.00 C ATOM 707 NE ARG A 51 14.005 0.513 1.752 1.00 0.00 N ATOM 708 CZ ARG A 51 14.652 -0.475 2.360 1.00 0.00 C ATOM 709 NH1 ARG A 51 14.475 -1.728 1.967 1.00 0.00 N ATOM 710 NH2 ARG A 51 15.478 -0.210 3.363 1.00 0.00 N ATOM 0 H ARG A 51 9.442 -2.957 -0.260 1.00 0.00 H new ATOM 0 HA ARG A 51 9.344 -0.201 -0.005 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.918 -2.112 0.972 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.960 -1.650 -0.360 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.010 0.714 1.053 1.00 0.00 H new ATOM 0 HG3 ARG A 51 11.754 -0.412 2.170 1.00 0.00 H new ATOM 0 HD2 ARG A 51 13.483 -0.447 -0.033 1.00 0.00 H new ATOM 0 HD3 ARG A 51 12.989 1.231 0.069 1.00 0.00 H new ATOM 0 HE ARG A 51 14.163 1.466 2.079 1.00 0.00 H new ATOM 0 HH11 ARG A 51 13.841 -1.936 1.196 1.00 0.00 H new ATOM 0 HH12 ARG A 51 14.973 -2.485 2.436 1.00 0.00 H new ATOM 0 HH21 ARG A 51 15.617 0.753 3.668 1.00 0.00 H new ATOM 0 HH22 ARG A 51 15.974 -0.969 3.829 1.00 0.00 H new ATOM 721 N GLU A 52 10.703 -1.206 -2.827 1.00 0.00 N ATOM 722 CA GLU A 52 11.138 -0.760 -4.146 1.00 0.00 C ATOM 723 C GLU A 52 9.974 -0.158 -4.928 1.00 0.00 C ATOM 724 O GLU A 52 10.076 0.948 -5.460 1.00 0.00 O ATOM 725 CB GLU A 52 11.743 -1.927 -4.928 1.00 0.00 C ATOM 726 CG GLU A 52 12.163 -1.558 -6.342 1.00 0.00 C ATOM 727 CD GLU A 52 11.015 -1.632 -7.329 1.00 0.00 C ATOM 728 OE1 GLU A 52 10.185 -2.557 -7.206 1.00 0.00 O ATOM 729 OE2 GLU A 52 10.946 -0.765 -8.226 1.00 0.00 O ATOM 0 H GLU A 52 10.673 -2.219 -2.712 1.00 0.00 H new ATOM 0 HA GLU A 52 11.898 0.010 -4.010 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.610 -2.305 -4.387 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.017 -2.739 -4.973 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.574 -0.548 -6.343 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.960 -2.227 -6.667 1.00 0.00 H new ATOM 734 N ILE A 53 8.870 -0.894 -4.994 1.00 0.00 N ATOM 735 CA ILE A 53 7.686 -0.434 -5.710 1.00 0.00 C ATOM 736 C ILE A 53 7.313 0.987 -5.299 1.00 0.00 C ATOM 737 O ILE A 53 6.961 1.817 -6.138 1.00 0.00 O ATOM 738 CB ILE A 53 6.482 -1.361 -5.462 1.00 0.00 C ATOM 739 CG1 ILE A 53 6.686 -2.700 -6.174 1.00 0.00 C ATOM 740 CG2 ILE A 53 5.197 -0.696 -5.930 1.00 0.00 C ATOM 741 CD1 ILE A 53 5.979 -3.855 -5.502 1.00 0.00 C ATOM 0 H ILE A 53 8.770 -1.812 -4.560 1.00 0.00 H new ATOM 0 HA ILE A 53 7.933 -0.450 -6.772 1.00 0.00 H new ATOM 0 HB ILE A 53 6.401 -1.549 -4.391 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.330 -2.614 -7.201 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.753 -2.917 -6.224 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.355 -1.364 -5.748 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.048 0.234 -5.381 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.266 -0.481 -6.996 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.168 -4.772 -6.061 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.352 -3.967 -4.484 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.907 -3.660 -5.476 1.00 0.00 H new ATOM 752 N THR A 54 7.394 1.262 -4.001 1.00 0.00 N ATOM 753 CA THR A 54 7.067 2.583 -3.477 1.00 0.00 C ATOM 754 C THR A 54 8.141 3.601 -3.841 1.00 0.00 C ATOM 755 O THR A 54 7.854 4.622 -4.463 1.00 0.00 O ATOM 756 CB THR A 54 6.899 2.554 -1.947 1.00 0.00 C ATOM 757 OG1 THR A 54 6.624 1.219 -1.508 1.00 0.00 O ATOM 758 CG2 THR A 54 5.775 3.480 -1.508 1.00 0.00 C ATOM 0 H THR A 54 7.683 0.587 -3.293 1.00 0.00 H new ATOM 0 HA THR A 54 6.122 2.879 -3.933 1.00 0.00 H new ATOM 0 HB THR A 54 7.829 2.899 -1.496 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.426 0.666 -1.620 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.675 3.442 -0.423 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.003 4.500 -1.816 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.840 3.162 -1.969 1.00 0.00 H new ATOM 766 N GLU A 55 9.378 3.313 -3.451 1.00 0.00 N ATOM 767 CA GLU A 55 10.495 4.206 -3.737 1.00 0.00 C ATOM 768 C GLU A 55 10.550 4.550 -5.222 1.00 0.00 C ATOM 769 O GLU A 55 10.910 5.664 -5.599 1.00 0.00 O ATOM 770 CB GLU A 55 11.815 3.564 -3.302 1.00 0.00 C ATOM 771 CG GLU A 55 12.522 4.320 -2.191 1.00 0.00 C ATOM 772 CD GLU A 55 13.600 5.250 -2.712 1.00 0.00 C ATOM 773 OE1 GLU A 55 14.546 4.757 -3.362 1.00 0.00 O ATOM 774 OE2 GLU A 55 13.499 6.471 -2.470 1.00 0.00 O ATOM 0 H GLU A 55 9.632 2.470 -2.937 1.00 0.00 H new ATOM 0 HA GLU A 55 10.344 5.127 -3.174 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.621 2.544 -2.970 1.00 0.00 H new ATOM 0 HB3 GLU A 55 12.479 3.498 -4.164 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.790 4.898 -1.627 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.967 3.607 -1.497 1.00 0.00 H new ATOM 779 N ASN A 56 10.191 3.584 -6.061 1.00 0.00 N ATOM 780 CA ASN A 56 10.199 3.784 -7.506 1.00 0.00 C ATOM 781 C ASN A 56 8.878 4.382 -7.980 1.00 0.00 C ATOM 782 O ASN A 56 8.806 4.984 -9.052 1.00 0.00 O ATOM 783 CB ASN A 56 10.459 2.458 -8.224 1.00 0.00 C ATOM 784 CG ASN A 56 11.066 2.654 -9.599 1.00 0.00 C ATOM 785 OD1 ASN A 56 12.223 2.043 -9.828 1.00 0.00 O flip ATOM 786 ND2 ASN A 56 10.503 3.348 -10.445 1.00 0.00 N flip ATOM 0 H ASN A 56 9.891 2.655 -5.765 1.00 0.00 H new ATOM 0 HA ASN A 56 11.000 4.483 -7.747 1.00 0.00 H new ATOM 0 HB2 ASN A 56 11.127 1.845 -7.619 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.522 1.909 -8.318 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.615 3.799 -10.226 1.00 0.00 H new ATOM 0 HD22 ASN A 56 10.925 3.472 -11.365 1.00 0.00 H new ATOM 792 N LEU A 57 7.835 4.211 -7.175 1.00 0.00 N ATOM 793 CA LEU A 57 6.516 4.735 -7.512 1.00 0.00 C ATOM 794 C LEU A 57 6.532 6.258 -7.571 1.00 0.00 C ATOM 795 O LEU A 57 6.224 6.853 -8.604 1.00 0.00 O ATOM 796 CB LEU A 57 5.483 4.264 -6.487 1.00 0.00 C ATOM 797 CG LEU A 57 4.476 3.222 -6.977 1.00 0.00 C ATOM 798 CD1 LEU A 57 3.476 2.888 -5.881 1.00 0.00 C ATOM 799 CD2 LEU A 57 3.759 3.719 -8.223 1.00 0.00 C ATOM 0 H LEU A 57 7.877 3.714 -6.285 1.00 0.00 H new ATOM 0 HA LEU A 57 6.243 4.356 -8.497 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.014 3.851 -5.629 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.931 5.134 -6.131 1.00 0.00 H new ATOM 0 HG LEU A 57 5.019 2.312 -7.233 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.768 2.145 -6.249 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.005 2.488 -5.016 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.938 3.791 -5.592 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.046 2.965 -8.558 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.229 4.643 -7.993 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.488 3.905 -9.012 1.00 0.00 H new ATOM 810 N MET A 58 6.897 6.885 -6.457 1.00 0.00 N ATOM 811 CA MET A 58 6.958 8.340 -6.384 1.00 0.00 C ATOM 812 C MET A 58 8.301 8.855 -6.893 1.00 0.00 C ATOM 813 O MET A 58 8.504 10.061 -7.026 1.00 0.00 O ATOM 814 CB MET A 58 6.731 8.809 -4.945 1.00 0.00 C ATOM 815 CG MET A 58 7.708 8.207 -3.948 1.00 0.00 C ATOM 816 SD MET A 58 9.136 9.267 -3.649 1.00 0.00 S ATOM 817 CE MET A 58 9.197 9.254 -1.858 1.00 0.00 C ATOM 0 H MET A 58 7.155 6.408 -5.593 1.00 0.00 H new ATOM 0 HA MET A 58 6.170 8.744 -7.020 1.00 0.00 H new ATOM 0 HB2 MET A 58 6.811 9.895 -4.909 1.00 0.00 H new ATOM 0 HB3 MET A 58 5.715 8.554 -4.645 1.00 0.00 H new ATOM 0 HG2 MET A 58 7.193 8.024 -3.005 1.00 0.00 H new ATOM 0 HG3 MET A 58 8.049 7.240 -4.318 1.00 0.00 H new ATOM 0 HE1 MET A 58 9.912 10.001 -1.513 1.00 0.00 H new ATOM 0 HE2 MET A 58 8.209 9.485 -1.459 1.00 0.00 H new ATOM 0 HE3 MET A 58 9.507 8.268 -1.512 1.00 0.00 H new ATOM 825 N ALA A 59 9.215 7.931 -7.175 1.00 0.00 N ATOM 826 CA ALA A 59 10.537 8.292 -7.671 1.00 0.00 C ATOM 827 C ALA A 59 10.442 9.331 -8.784 1.00 0.00 C ATOM 828 O ALA A 59 11.377 10.099 -9.013 1.00 0.00 O ATOM 829 CB ALA A 59 11.272 7.054 -8.163 1.00 0.00 C ATOM 0 H ALA A 59 9.064 6.928 -7.068 1.00 0.00 H new ATOM 0 HA ALA A 59 11.099 8.732 -6.847 1.00 0.00 H new ATOM 0 HB1 ALA A 59 12.258 7.338 -8.531 1.00 0.00 H new ATOM 0 HB2 ALA A 59 11.381 6.345 -7.342 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.704 6.590 -8.969 1.00 0.00 H new ATOM 835 N THR A 60 9.305 9.348 -9.474 1.00 0.00 N ATOM 836 CA THR A 60 9.089 10.291 -10.565 1.00 0.00 C ATOM 837 C THR A 60 8.104 11.382 -10.161 1.00 0.00 C ATOM 838 O THR A 60 8.426 12.569 -10.202 1.00 0.00 O ATOM 839 CB THR A 60 8.562 9.580 -11.825 1.00 0.00 C ATOM 840 OG1 THR A 60 7.672 8.521 -11.455 1.00 0.00 O ATOM 841 CG2 THR A 60 9.710 9.019 -12.650 1.00 0.00 C ATOM 0 H THR A 60 8.521 8.720 -9.297 1.00 0.00 H new ATOM 0 HA THR A 60 10.055 10.743 -10.789 1.00 0.00 H new ATOM 0 HB THR A 60 8.024 10.311 -12.429 1.00 0.00 H new ATOM 0 HG1 THR A 60 7.340 8.075 -12.262 1.00 0.00 H new ATOM 0 HG21 THR A 60 9.313 8.521 -13.535 1.00 0.00 H new ATOM 0 HG22 THR A 60 10.369 9.831 -12.956 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.272 8.302 -12.052 1.00 0.00 H new ATOM 849 N GLY A 61 6.902 10.971 -9.768 1.00 0.00 N ATOM 850 CA GLY A 61 5.888 11.927 -9.362 1.00 0.00 C ATOM 851 C GLY A 61 4.545 11.274 -9.105 1.00 0.00 C ATOM 852 O GLY A 61 3.513 11.756 -9.574 1.00 0.00 O ATOM 0 H GLY A 61 6.613 9.994 -9.724 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.218 12.440 -8.459 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.777 12.686 -10.137 1.00 0.00 H new ATOM 856 N ASP A 62 4.556 10.173 -8.363 1.00 0.00 N ATOM 857 CA ASP A 62 3.329 9.451 -8.045 1.00 0.00 C ATOM 858 C ASP A 62 2.774 9.892 -6.695 1.00 0.00 C ATOM 859 O ASP A 62 1.622 10.315 -6.593 1.00 0.00 O ATOM 860 CB ASP A 62 3.586 7.943 -8.039 1.00 0.00 C ATOM 861 CG ASP A 62 3.610 7.354 -9.435 1.00 0.00 C ATOM 862 OD1 ASP A 62 2.834 6.412 -9.695 1.00 0.00 O ATOM 863 OD2 ASP A 62 4.406 7.836 -10.268 1.00 0.00 O ATOM 0 H ASP A 62 5.402 9.760 -7.970 1.00 0.00 H new ATOM 0 HA ASP A 62 2.591 9.682 -8.813 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.537 7.742 -7.547 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.812 7.448 -7.452 1.00 0.00 H new ATOM 867 N LEU A 63 3.599 9.787 -5.659 1.00 0.00 N ATOM 868 CA LEU A 63 3.191 10.174 -4.313 1.00 0.00 C ATOM 869 C LEU A 63 3.617 11.605 -4.004 1.00 0.00 C ATOM 870 O LEU A 63 3.192 12.188 -3.007 1.00 0.00 O ATOM 871 CB LEU A 63 3.790 9.216 -3.281 1.00 0.00 C ATOM 872 CG LEU A 63 3.450 7.736 -3.461 1.00 0.00 C ATOM 873 CD1 LEU A 63 3.129 7.436 -4.917 1.00 0.00 C ATOM 874 CD2 LEU A 63 4.596 6.861 -2.975 1.00 0.00 C ATOM 0 H LEU A 63 4.555 9.437 -5.725 1.00 0.00 H new ATOM 0 HA LEU A 63 2.104 10.120 -4.261 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.874 9.324 -3.301 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.457 9.527 -2.291 1.00 0.00 H new ATOM 0 HG LEU A 63 2.568 7.511 -2.861 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.889 6.378 -5.026 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.275 8.036 -5.232 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.992 7.679 -5.537 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.335 5.811 -3.111 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.496 7.089 -3.547 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.779 7.055 -1.918 1.00 0.00 H new ATOM 885 N ASP A 64 4.458 12.165 -4.866 1.00 0.00 N ATOM 886 CA ASP A 64 4.940 13.529 -4.687 1.00 0.00 C ATOM 887 C ASP A 64 3.780 14.486 -4.426 1.00 0.00 C ATOM 888 O ASP A 64 3.963 15.548 -3.831 1.00 0.00 O ATOM 889 CB ASP A 64 5.723 13.983 -5.921 1.00 0.00 C ATOM 890 CG ASP A 64 6.734 15.066 -5.599 1.00 0.00 C ATOM 891 OD1 ASP A 64 7.418 14.951 -4.560 1.00 0.00 O ATOM 892 OD2 ASP A 64 6.841 16.028 -6.387 1.00 0.00 O ATOM 0 H ASP A 64 4.820 11.695 -5.696 1.00 0.00 H new ATOM 0 HA ASP A 64 5.602 13.543 -3.821 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.238 13.127 -6.356 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.027 14.352 -6.674 1.00 0.00 H new ATOM 896 N GLN A 65 2.591 14.101 -4.875 1.00 0.00 N ATOM 897 CA GLN A 65 1.402 14.926 -4.692 1.00 0.00 C ATOM 898 C GLN A 65 1.256 15.353 -3.235 1.00 0.00 C ATOM 899 O GLN A 65 0.776 16.450 -2.945 1.00 0.00 O ATOM 900 CB GLN A 65 0.153 14.164 -5.139 1.00 0.00 C ATOM 901 CG GLN A 65 -0.424 13.256 -4.065 1.00 0.00 C ATOM 902 CD GLN A 65 -1.734 12.617 -4.482 1.00 0.00 C ATOM 903 OE1 GLN A 65 -1.946 12.320 -5.658 1.00 0.00 O ATOM 904 NE2 GLN A 65 -2.621 12.401 -3.518 1.00 0.00 N ATOM 0 H GLN A 65 2.424 13.224 -5.368 1.00 0.00 H new ATOM 0 HA GLN A 65 1.513 15.820 -5.305 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -0.609 14.881 -5.445 1.00 0.00 H new ATOM 0 HB3 GLN A 65 0.398 13.565 -6.016 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.298 12.474 -3.829 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -0.579 13.832 -3.153 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.403 12.663 -2.557 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.520 11.973 -3.739 1.00 0.00 H new ATOM 911 N ASP A 66 1.674 14.482 -2.323 1.00 0.00 N ATOM 912 CA ASP A 66 1.591 14.770 -0.896 1.00 0.00 C ATOM 913 C ASP A 66 2.749 14.125 -0.143 1.00 0.00 C ATOM 914 O ASP A 66 3.290 14.702 0.800 1.00 0.00 O ATOM 915 CB ASP A 66 0.259 14.273 -0.330 1.00 0.00 C ATOM 916 CG ASP A 66 0.341 12.846 0.173 1.00 0.00 C ATOM 917 OD1 ASP A 66 0.178 12.636 1.394 1.00 0.00 O ATOM 918 OD2 ASP A 66 0.564 11.938 -0.654 1.00 0.00 O ATOM 0 H ASP A 66 2.074 13.571 -2.547 1.00 0.00 H new ATOM 0 HA ASP A 66 1.653 15.850 -0.765 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.052 14.926 0.486 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.508 14.340 -1.102 1.00 0.00 H new ATOM 922 N GLY A 67 3.126 12.921 -0.565 1.00 0.00 N ATOM 923 CA GLY A 67 4.218 12.217 0.081 1.00 0.00 C ATOM 924 C GLY A 67 3.756 10.964 0.798 1.00 0.00 C ATOM 925 O GLY A 67 4.444 9.944 0.784 1.00 0.00 O ATOM 0 H GLY A 67 2.694 12.421 -1.342 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.966 11.950 -0.665 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.703 12.882 0.795 1.00 0.00 H new ATOM 929 N ARG A 68 2.588 11.040 1.426 1.00 0.00 N ATOM 930 CA ARG A 68 2.035 9.904 2.154 1.00 0.00 C ATOM 931 C ARG A 68 1.540 8.829 1.190 1.00 0.00 C ATOM 932 O ARG A 68 1.806 8.889 -0.011 1.00 0.00 O ATOM 933 CB ARG A 68 0.889 10.359 3.059 1.00 0.00 C ATOM 934 CG ARG A 68 1.215 11.597 3.879 1.00 0.00 C ATOM 935 CD ARG A 68 0.001 12.091 4.649 1.00 0.00 C ATOM 936 NE ARG A 68 -1.150 12.305 3.777 1.00 0.00 N ATOM 937 CZ ARG A 68 -2.360 12.627 4.222 1.00 0.00 C ATOM 938 NH1 ARG A 68 -2.575 12.771 5.522 1.00 0.00 N ATOM 939 NH2 ARG A 68 -3.357 12.805 3.366 1.00 0.00 N ATOM 0 H ARG A 68 2.005 11.877 1.446 1.00 0.00 H new ATOM 0 HA ARG A 68 2.828 9.479 2.770 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.011 10.561 2.445 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.626 9.545 3.735 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.022 11.371 4.576 1.00 0.00 H new ATOM 0 HG3 ARG A 68 1.575 12.387 3.220 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.259 11.366 5.420 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.249 13.023 5.158 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.018 12.202 2.771 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.811 12.635 6.184 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.505 13.018 5.861 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.195 12.695 2.365 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.285 13.052 3.709 1.00 0.00 H new ATOM 950 N ILE A 69 0.819 7.849 1.724 1.00 0.00 N ATOM 951 CA ILE A 69 0.288 6.763 0.911 1.00 0.00 C ATOM 952 C ILE A 69 -1.096 6.341 1.394 1.00 0.00 C ATOM 953 O ILE A 69 -1.234 5.714 2.445 1.00 0.00 O ATOM 954 CB ILE A 69 1.221 5.537 0.929 1.00 0.00 C ATOM 955 CG1 ILE A 69 2.568 5.886 0.293 1.00 0.00 C ATOM 956 CG2 ILE A 69 0.572 4.368 0.203 1.00 0.00 C ATOM 957 CD1 ILE A 69 3.636 4.842 0.532 1.00 0.00 C ATOM 0 H ILE A 69 0.589 7.785 2.716 1.00 0.00 H new ATOM 0 HA ILE A 69 0.216 7.139 -0.109 1.00 0.00 H new ATOM 0 HB ILE A 69 1.395 5.245 1.965 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.431 6.015 -0.781 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.911 6.842 0.688 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.243 3.509 0.224 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.365 4.109 0.696 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.373 4.648 -0.831 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.564 5.155 0.053 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.801 4.729 1.604 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.314 3.889 0.112 1.00 0.00 H new ATOM 968 N SER A 70 -2.119 6.689 0.621 1.00 0.00 N ATOM 969 CA SER A 70 -3.493 6.348 0.970 1.00 0.00 C ATOM 970 C SER A 70 -3.785 4.882 0.663 1.00 0.00 C ATOM 971 O SER A 70 -3.183 4.293 -0.235 1.00 0.00 O ATOM 972 CB SER A 70 -4.472 7.244 0.210 1.00 0.00 C ATOM 973 OG SER A 70 -5.601 6.509 -0.229 1.00 0.00 O ATOM 0 H SER A 70 -2.022 7.207 -0.252 1.00 0.00 H new ATOM 0 HA SER A 70 -3.620 6.509 2.041 1.00 0.00 H new ATOM 0 HB2 SER A 70 -4.795 8.063 0.853 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.970 7.691 -0.648 1.00 0.00 H new ATOM 0 HG SER A 70 -6.212 7.105 -0.711 1.00 0.00 H new ATOM 978 N PHE A 71 -4.710 4.300 1.416 1.00 0.00 N ATOM 979 CA PHE A 71 -5.083 2.902 1.227 1.00 0.00 C ATOM 980 C PHE A 71 -5.301 2.593 -0.250 1.00 0.00 C ATOM 981 O PHE A 71 -4.926 1.526 -0.735 1.00 0.00 O ATOM 982 CB PHE A 71 -6.350 2.577 2.021 1.00 0.00 C ATOM 983 CG PHE A 71 -6.625 1.106 2.135 1.00 0.00 C ATOM 984 CD1 PHE A 71 -5.584 0.201 2.262 1.00 0.00 C ATOM 985 CD2 PHE A 71 -7.925 0.627 2.114 1.00 0.00 C ATOM 986 CE1 PHE A 71 -5.833 -1.155 2.367 1.00 0.00 C ATOM 987 CE2 PHE A 71 -8.181 -0.727 2.220 1.00 0.00 C ATOM 988 CZ PHE A 71 -7.134 -1.619 2.345 1.00 0.00 C ATOM 0 H PHE A 71 -5.216 4.774 2.164 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.265 2.281 1.593 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.261 3.000 3.021 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -7.202 3.062 1.545 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -4.565 0.559 2.279 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -8.748 1.320 2.014 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -5.012 -1.850 2.466 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -9.199 -1.087 2.205 1.00 0.00 H new ATOM 0 HZ PHE A 71 -7.332 -2.678 2.425 1.00 0.00 H new ATOM 997 N ASP A 72 -5.913 3.535 -0.962 1.00 0.00 N ATOM 998 CA ASP A 72 -6.181 3.365 -2.385 1.00 0.00 C ATOM 999 C ASP A 72 -4.914 2.962 -3.133 1.00 0.00 C ATOM 1000 O ASP A 72 -4.892 1.951 -3.834 1.00 0.00 O ATOM 1001 CB ASP A 72 -6.749 4.657 -2.976 1.00 0.00 C ATOM 1002 CG ASP A 72 -8.261 4.716 -2.890 1.00 0.00 C ATOM 1003 OD1 ASP A 72 -8.854 5.637 -3.491 1.00 0.00 O ATOM 1004 OD2 ASP A 72 -8.853 3.843 -2.222 1.00 0.00 O ATOM 0 H ASP A 72 -6.232 4.424 -0.576 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.916 2.568 -2.499 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -6.324 5.512 -2.449 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.444 4.741 -4.019 1.00 0.00 H new ATOM 1008 N GLU A 73 -3.863 3.761 -2.979 1.00 0.00 N ATOM 1009 CA GLU A 73 -2.594 3.488 -3.642 1.00 0.00 C ATOM 1010 C GLU A 73 -2.076 2.099 -3.277 1.00 0.00 C ATOM 1011 O GLU A 73 -1.589 1.361 -4.134 1.00 0.00 O ATOM 1012 CB GLU A 73 -1.555 4.546 -3.262 1.00 0.00 C ATOM 1013 CG GLU A 73 -1.203 5.490 -4.400 1.00 0.00 C ATOM 1014 CD GLU A 73 -2.038 6.755 -4.388 1.00 0.00 C ATOM 1015 OE1 GLU A 73 -2.393 7.241 -5.483 1.00 0.00 O ATOM 1016 OE2 GLU A 73 -2.337 7.260 -3.285 1.00 0.00 O ATOM 0 H GLU A 73 -3.865 4.602 -2.401 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.762 3.524 -4.718 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.933 5.128 -2.422 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.648 4.047 -2.922 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.148 5.755 -4.334 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.343 4.975 -5.351 1.00 0.00 H new ATOM 1021 N PHE A 74 -2.186 1.750 -2.000 1.00 0.00 N ATOM 1022 CA PHE A 74 -1.729 0.451 -1.520 1.00 0.00 C ATOM 1023 C PHE A 74 -2.408 -0.681 -2.287 1.00 0.00 C ATOM 1024 O PHE A 74 -1.752 -1.629 -2.722 1.00 0.00 O ATOM 1025 CB PHE A 74 -2.012 0.309 -0.023 1.00 0.00 C ATOM 1026 CG PHE A 74 -1.763 -1.076 0.504 1.00 0.00 C ATOM 1027 CD1 PHE A 74 -0.613 -1.362 1.222 1.00 0.00 C ATOM 1028 CD2 PHE A 74 -2.680 -2.090 0.282 1.00 0.00 C ATOM 1029 CE1 PHE A 74 -0.382 -2.635 1.709 1.00 0.00 C ATOM 1030 CE2 PHE A 74 -2.455 -3.365 0.767 1.00 0.00 C ATOM 1031 CZ PHE A 74 -1.304 -3.638 1.481 1.00 0.00 C ATOM 0 H PHE A 74 -2.588 2.349 -1.278 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.654 0.387 -1.687 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.389 1.016 0.525 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -3.049 0.582 0.170 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.111 -0.582 1.403 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -3.581 -1.882 -0.276 1.00 0.00 H new ATOM 0 HE1 PHE A 74 0.518 -2.845 2.267 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -3.178 -4.147 0.588 1.00 0.00 H new ATOM 0 HZ PHE A 74 -1.126 -4.633 1.860 1.00 0.00 H new ATOM 1040 N ILE A 75 -3.722 -0.574 -2.447 1.00 0.00 N ATOM 1041 CA ILE A 75 -4.488 -1.588 -3.160 1.00 0.00 C ATOM 1042 C ILE A 75 -4.024 -1.711 -4.608 1.00 0.00 C ATOM 1043 O ILE A 75 -3.647 -2.792 -5.062 1.00 0.00 O ATOM 1044 CB ILE A 75 -5.995 -1.272 -3.142 1.00 0.00 C ATOM 1045 CG1 ILE A 75 -6.504 -1.194 -1.701 1.00 0.00 C ATOM 1046 CG2 ILE A 75 -6.768 -2.323 -3.925 1.00 0.00 C ATOM 1047 CD1 ILE A 75 -6.364 -2.493 -0.939 1.00 0.00 C ATOM 0 H ILE A 75 -4.278 0.204 -2.093 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.317 -2.533 -2.644 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.153 -0.304 -3.618 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.958 -0.412 -1.173 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.553 -0.899 -1.710 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.831 -2.085 -3.902 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.421 -2.335 -4.958 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.606 -3.303 -3.476 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.745 -2.363 0.074 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.933 -3.274 -1.443 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.313 -2.779 -0.898 1.00 0.00 H new ATOM 1058 N LYS A 76 -4.052 -0.595 -5.329 1.00 0.00 N ATOM 1059 CA LYS A 76 -3.631 -0.575 -6.724 1.00 0.00 C ATOM 1060 C LYS A 76 -2.242 -1.184 -6.883 1.00 0.00 C ATOM 1061 O LYS A 76 -1.972 -1.894 -7.853 1.00 0.00 O ATOM 1062 CB LYS A 76 -3.634 0.859 -7.259 1.00 0.00 C ATOM 1063 CG LYS A 76 -4.230 0.989 -8.650 1.00 0.00 C ATOM 1064 CD LYS A 76 -3.672 2.197 -9.384 1.00 0.00 C ATOM 1065 CE LYS A 76 -4.553 2.588 -10.562 1.00 0.00 C ATOM 1066 NZ LYS A 76 -5.849 3.169 -10.116 1.00 0.00 N ATOM 0 H LYS A 76 -4.362 0.308 -4.969 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.339 -1.173 -7.299 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.195 1.493 -6.572 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.611 1.234 -7.275 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.021 0.085 -9.223 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -5.314 1.076 -8.576 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.590 3.037 -8.695 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.665 1.976 -9.738 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -4.026 3.311 -11.185 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -4.742 1.711 -11.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -6.283 3.693 -10.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -6.487 2.405 -9.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -5.683 3.816 -9.319 1.00 0.00 H new ATOM 1076 N ILE A 77 -1.366 -0.906 -5.924 1.00 0.00 N ATOM 1077 CA ILE A 77 -0.006 -1.430 -5.957 1.00 0.00 C ATOM 1078 C ILE A 77 0.005 -2.943 -5.768 1.00 0.00 C ATOM 1079 O ILE A 77 0.733 -3.660 -6.456 1.00 0.00 O ATOM 1080 CB ILE A 77 0.874 -0.783 -4.871 1.00 0.00 C ATOM 1081 CG1 ILE A 77 1.041 0.713 -5.145 1.00 0.00 C ATOM 1082 CG2 ILE A 77 2.229 -1.470 -4.807 1.00 0.00 C ATOM 1083 CD1 ILE A 77 1.291 1.533 -3.898 1.00 0.00 C ATOM 0 H ILE A 77 -1.573 -0.321 -5.115 1.00 0.00 H new ATOM 0 HA ILE A 77 0.402 -1.185 -6.938 1.00 0.00 H new ATOM 0 HB ILE A 77 0.382 -0.904 -3.906 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.871 0.857 -5.837 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.145 1.085 -5.641 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.839 -1.001 -4.035 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.091 -2.525 -4.570 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.730 -1.377 -5.771 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.399 2.583 -4.169 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.450 1.420 -3.213 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.204 1.188 -3.412 1.00 0.00 H new ATOM 1094 N PHE A 78 -0.809 -3.424 -4.833 1.00 0.00 N ATOM 1095 CA PHE A 78 -0.894 -4.852 -4.555 1.00 0.00 C ATOM 1096 C PHE A 78 -1.416 -5.613 -5.770 1.00 0.00 C ATOM 1097 O PHE A 78 -1.000 -6.741 -6.036 1.00 0.00 O ATOM 1098 CB PHE A 78 -1.803 -5.105 -3.351 1.00 0.00 C ATOM 1099 CG PHE A 78 -2.040 -6.563 -3.074 1.00 0.00 C ATOM 1100 CD1 PHE A 78 -3.300 -7.115 -3.231 1.00 0.00 C ATOM 1101 CD2 PHE A 78 -1.001 -7.379 -2.655 1.00 0.00 C ATOM 1102 CE1 PHE A 78 -3.521 -8.456 -2.978 1.00 0.00 C ATOM 1103 CE2 PHE A 78 -1.217 -8.721 -2.400 1.00 0.00 C ATOM 1104 CZ PHE A 78 -2.478 -9.259 -2.561 1.00 0.00 C ATOM 0 H PHE A 78 -1.419 -2.845 -4.256 1.00 0.00 H new ATOM 0 HA PHE A 78 0.109 -5.213 -4.327 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.361 -4.643 -2.468 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.762 -4.615 -3.520 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -4.120 -6.491 -3.555 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.013 -6.963 -2.526 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -4.508 -8.875 -3.106 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.400 -9.348 -2.075 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.649 -10.307 -2.361 1.00 0.00 H new ATOM 1113 N HIS A 79 -2.332 -4.988 -6.503 1.00 0.00 N ATOM 1114 CA HIS A 79 -2.913 -5.606 -7.690 1.00 0.00 C ATOM 1115 C HIS A 79 -1.929 -5.572 -8.856 1.00 0.00 C ATOM 1116 O HIS A 79 -1.882 -6.495 -9.668 1.00 0.00 O ATOM 1117 CB HIS A 79 -4.208 -4.893 -8.080 1.00 0.00 C ATOM 1118 CG HIS A 79 -5.396 -5.804 -8.147 1.00 0.00 C ATOM 1119 ND1 HIS A 79 -5.916 -6.275 -9.333 1.00 0.00 N ATOM 1120 CD2 HIS A 79 -6.164 -6.331 -7.166 1.00 0.00 C ATOM 1121 CE1 HIS A 79 -6.954 -7.052 -9.079 1.00 0.00 C ATOM 1122 NE2 HIS A 79 -7.125 -7.103 -7.771 1.00 0.00 N ATOM 0 H HIS A 79 -2.688 -4.055 -6.296 1.00 0.00 H new ATOM 0 HA HIS A 79 -3.137 -6.647 -7.456 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.408 -4.100 -7.359 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -4.072 -4.415 -9.050 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -6.044 -6.174 -6.104 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -7.559 -7.559 -9.816 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -7.853 -7.630 -7.288 1.00 0.00 H new ATOM 1129 N GLY A 80 -1.145 -4.500 -8.932 1.00 0.00 N ATOM 1130 CA GLY A 80 -0.175 -4.366 -10.003 1.00 0.00 C ATOM 1131 C GLY A 80 -0.687 -3.513 -11.146 1.00 0.00 C ATOM 1132 O GLY A 80 -0.757 -3.968 -12.289 1.00 0.00 O ATOM 0 H GLY A 80 -1.165 -3.723 -8.271 1.00 0.00 H new ATOM 0 HA2 GLY A 80 0.740 -3.926 -9.607 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.084 -5.355 -10.380 1.00 0.00 H new ATOM 1136 N LEU A 81 -1.048 -2.271 -10.840 1.00 0.00 N ATOM 1137 CA LEU A 81 -1.558 -1.352 -11.851 1.00 0.00 C ATOM 1138 C LEU A 81 -0.637 -1.311 -13.066 1.00 0.00 C ATOM 1139 O LEU A 81 0.432 -0.702 -13.029 1.00 0.00 O ATOM 1140 CB LEU A 81 -1.706 0.053 -11.263 1.00 0.00 C ATOM 1141 CG LEU A 81 -0.470 0.623 -10.567 1.00 0.00 C ATOM 1142 CD1 LEU A 81 -0.249 2.072 -10.972 1.00 0.00 C ATOM 1143 CD2 LEU A 81 -0.606 0.504 -9.056 1.00 0.00 C ATOM 0 H LEU A 81 -0.997 -1.878 -9.900 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.536 -1.711 -12.172 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.992 0.733 -12.066 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.528 0.041 -10.547 1.00 0.00 H new ATOM 0 HG LEU A 81 0.399 0.044 -10.880 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.635 2.460 -10.466 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.105 2.130 -12.051 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.118 2.665 -10.689 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.283 0.915 -8.577 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.485 1.057 -8.725 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.714 -0.545 -8.782 1.00 0.00 H new ATOM 1154 N LYS A 82 -1.059 -1.964 -14.143 1.00 0.00 N ATOM 1155 CA LYS A 82 -0.274 -2.002 -15.372 1.00 0.00 C ATOM 1156 C LYS A 82 0.039 -0.591 -15.861 1.00 0.00 C ATOM 1157 O LYS A 82 0.900 -0.398 -16.720 1.00 0.00 O ATOM 1158 CB LYS A 82 -1.027 -2.774 -16.459 1.00 0.00 C ATOM 1159 CG LYS A 82 -2.286 -2.074 -16.941 1.00 0.00 C ATOM 1160 CD LYS A 82 -2.016 -1.235 -18.180 1.00 0.00 C ATOM 1161 CE LYS A 82 -3.311 -0.780 -18.838 1.00 0.00 C ATOM 1162 NZ LYS A 82 -4.192 -0.054 -17.882 1.00 0.00 N ATOM 0 H LYS A 82 -1.941 -2.475 -14.190 1.00 0.00 H new ATOM 0 HA LYS A 82 0.666 -2.511 -15.158 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -0.362 -2.932 -17.308 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -1.293 -3.759 -16.075 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -3.054 -2.815 -17.162 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.677 -1.438 -16.147 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.419 -0.364 -17.908 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.429 -1.814 -18.892 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.081 -0.132 -19.684 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.841 -1.646 -19.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -4.961 0.413 -18.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -4.596 -0.729 -17.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -3.636 0.661 -17.372 1.00 0.00 H new TER 1172 LYS A 82