USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=17 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -156:sc= -0.313 (180deg=-1.29) USER MOD Single : A 5 SER OG : rot 53:sc= 0.94 USER MOD Single : A 7 SER OG : rot 180:sc= 0.138 USER MOD Single : A 11 MET CE :methyl 167:sc= 0 (180deg=-0.113) USER MOD Single : A 12 MET CE :methyl 173:sc= 0 (180deg=-0.124) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot -35:sc= 0.787 USER MOD Single : A 26 ASN : amide:sc= -1.3 K(o=-1.3,f=-0.21) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.742 K(o=-0.74,f=-3.1!) USER MOD Single : A 39 LYS NZ :NH3+ -113:sc= -0.0965 (180deg=-1.38) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 70:sc= 0.0203 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 MET CE :methyl 151:sc= -3.16 (180deg=-6.12!) USER MOD Single : A 60 THR OG1 : rot 39:sc= 1.28 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 70 SER OG : rot -150:sc= -0.278 USER MOD Single : A 76 LYS NZ :NH3+ -129:sc= 0.0652 (180deg=-0.0698) USER MOD Single : A 79 HIS : no HD1:sc= -2.49! K(o=-2.5!,f=-1) USER MOD Single : A 82 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.135) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.457 9.278 0.259 1.00 0.00 N ATOM 2 CA MET A 1 -10.911 9.311 0.144 1.00 0.00 C ATOM 3 C MET A 1 -11.413 8.159 -0.719 1.00 0.00 C ATOM 4 O MET A 1 -12.552 7.715 -0.577 1.00 0.00 O ATOM 5 CB MET A 1 -11.366 10.645 -0.451 1.00 0.00 C ATOM 6 CG MET A 1 -10.795 11.857 0.267 1.00 0.00 C ATOM 7 SD MET A 1 -11.556 12.131 1.879 1.00 0.00 S ATOM 8 CE MET A 1 -11.169 13.858 2.147 1.00 0.00 C ATOM 0 H1 MET A 1 -9.166 9.772 1.127 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.134 8.290 0.299 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.033 9.748 -0.566 1.00 0.00 H new ATOM 0 HA MET A 1 -11.333 9.204 1.143 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.074 10.684 -1.500 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.454 10.695 -0.421 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.720 11.726 0.394 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.937 12.742 -0.353 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.575 14.177 3.107 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.087 13.993 2.147 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.609 14.457 1.350 1.00 0.00 H new ATOM 16 N ALA A 2 -10.556 7.677 -1.614 1.00 0.00 N ATOM 17 CA ALA A 2 -10.914 6.575 -2.499 1.00 0.00 C ATOM 18 C ALA A 2 -10.256 5.275 -2.048 1.00 0.00 C ATOM 19 O ALA A 2 -9.616 5.223 -0.998 1.00 0.00 O ATOM 20 CB ALA A 2 -10.520 6.899 -3.932 1.00 0.00 C ATOM 0 H ALA A 2 -9.609 8.033 -1.745 1.00 0.00 H new ATOM 0 HA ALA A 2 -11.995 6.440 -2.453 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.793 6.067 -4.581 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.040 7.800 -4.258 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -9.444 7.062 -3.985 1.00 0.00 H new ATOM 26 N ARG A 3 -10.418 4.227 -2.850 1.00 0.00 N ATOM 27 CA ARG A 3 -9.841 2.926 -2.533 1.00 0.00 C ATOM 28 C ARG A 3 -9.265 2.267 -3.782 1.00 0.00 C ATOM 29 O ARG A 3 -9.187 2.885 -4.843 1.00 0.00 O ATOM 30 CB ARG A 3 -10.897 2.015 -1.904 1.00 0.00 C ATOM 31 CG ARG A 3 -11.732 2.700 -0.833 1.00 0.00 C ATOM 32 CD ARG A 3 -12.095 1.740 0.289 1.00 0.00 C ATOM 33 NE ARG A 3 -12.170 2.413 1.582 1.00 0.00 N ATOM 34 CZ ARG A 3 -13.140 3.256 1.917 1.00 0.00 C ATOM 35 NH1 ARG A 3 -14.113 3.527 1.058 1.00 0.00 N ATOM 36 NH2 ARG A 3 -13.140 3.829 3.114 1.00 0.00 N ATOM 0 H ARG A 3 -10.944 4.254 -3.724 1.00 0.00 H new ATOM 0 HA ARG A 3 -9.032 3.080 -1.819 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -11.559 1.645 -2.687 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -10.403 1.147 -1.468 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -11.179 3.546 -0.425 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -12.642 3.100 -1.280 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -13.054 1.271 0.068 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -11.354 0.943 0.338 1.00 0.00 H new ATOM 0 HE ARG A 3 -11.437 2.226 2.266 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -14.118 3.088 0.137 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -14.857 4.175 1.318 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -12.394 3.622 3.778 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -13.886 4.476 3.370 1.00 0.00 H new ATOM 47 N GLY A 4 -8.862 1.007 -3.649 1.00 0.00 N ATOM 48 CA GLY A 4 -8.297 0.286 -4.775 1.00 0.00 C ATOM 49 C GLY A 4 -9.205 -0.825 -5.265 1.00 0.00 C ATOM 50 O GLY A 4 -10.402 -0.829 -4.979 1.00 0.00 O ATOM 0 H GLY A 4 -8.917 0.473 -2.782 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.108 0.983 -5.591 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.334 -0.136 -4.486 1.00 0.00 H new ATOM 54 N SER A 5 -8.634 -1.769 -6.007 1.00 0.00 N ATOM 55 CA SER A 5 -9.402 -2.887 -6.543 1.00 0.00 C ATOM 56 C SER A 5 -8.742 -4.217 -6.192 1.00 0.00 C ATOM 57 O SER A 5 -8.007 -4.790 -6.996 1.00 0.00 O ATOM 58 CB SER A 5 -9.538 -2.758 -8.062 1.00 0.00 C ATOM 59 OG SER A 5 -8.270 -2.799 -8.692 1.00 0.00 O ATOM 0 H SER A 5 -7.644 -1.782 -6.250 1.00 0.00 H new ATOM 0 HA SER A 5 -10.394 -2.863 -6.093 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.164 -3.564 -8.444 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.039 -1.822 -8.307 1.00 0.00 H new ATOM 0 HG SER A 5 -7.784 -3.597 -8.397 1.00 0.00 H new ATOM 64 N VAL A 6 -9.011 -4.702 -4.983 1.00 0.00 N ATOM 65 CA VAL A 6 -8.445 -5.965 -4.524 1.00 0.00 C ATOM 66 C VAL A 6 -9.542 -6.962 -4.171 1.00 0.00 C ATOM 67 O VAL A 6 -10.662 -6.577 -3.839 1.00 0.00 O ATOM 68 CB VAL A 6 -7.538 -5.760 -3.296 1.00 0.00 C ATOM 69 CG1 VAL A 6 -8.335 -5.915 -2.010 1.00 0.00 C ATOM 70 CG2 VAL A 6 -6.369 -6.733 -3.329 1.00 0.00 C ATOM 0 H VAL A 6 -9.617 -4.240 -4.305 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.848 -6.362 -5.345 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.139 -4.746 -3.327 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.677 -5.767 -1.154 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -9.134 -5.174 -1.986 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -8.766 -6.915 -1.967 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -5.739 -6.574 -2.454 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.746 -7.756 -3.323 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.783 -6.567 -4.233 1.00 0.00 H new ATOM 80 N SER A 7 -9.211 -8.248 -4.244 1.00 0.00 N ATOM 81 CA SER A 7 -10.169 -9.302 -3.935 1.00 0.00 C ATOM 82 C SER A 7 -10.867 -9.030 -2.605 1.00 0.00 C ATOM 83 O SER A 7 -10.318 -8.363 -1.728 1.00 0.00 O ATOM 84 CB SER A 7 -9.468 -10.661 -3.887 1.00 0.00 C ATOM 85 OG SER A 7 -9.159 -11.029 -2.553 1.00 0.00 O ATOM 0 H SER A 7 -8.287 -8.584 -4.514 1.00 0.00 H new ATOM 0 HA SER A 7 -10.921 -9.317 -4.724 1.00 0.00 H new ATOM 0 HB2 SER A 7 -10.108 -11.420 -4.338 1.00 0.00 H new ATOM 0 HB3 SER A 7 -8.553 -10.623 -4.478 1.00 0.00 H new ATOM 0 HG SER A 7 -8.713 -11.902 -2.549 1.00 0.00 H new ATOM 90 N ASP A 8 -12.081 -9.552 -2.464 1.00 0.00 N ATOM 91 CA ASP A 8 -12.854 -9.367 -1.241 1.00 0.00 C ATOM 92 C ASP A 8 -12.052 -9.802 -0.020 1.00 0.00 C ATOM 93 O ASP A 8 -11.845 -9.022 0.908 1.00 0.00 O ATOM 94 CB ASP A 8 -14.162 -10.156 -1.317 1.00 0.00 C ATOM 95 CG ASP A 8 -15.334 -9.295 -1.745 1.00 0.00 C ATOM 96 OD1 ASP A 8 -15.370 -8.107 -1.361 1.00 0.00 O ATOM 97 OD2 ASP A 8 -16.216 -9.809 -2.464 1.00 0.00 O ATOM 0 H ASP A 8 -12.550 -10.106 -3.180 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.084 -8.306 -1.141 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.045 -10.981 -2.020 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.375 -10.596 -0.343 1.00 0.00 H new ATOM 101 N GLU A 9 -11.605 -11.055 -0.027 1.00 0.00 N ATOM 102 CA GLU A 9 -10.827 -11.593 1.083 1.00 0.00 C ATOM 103 C GLU A 9 -9.714 -10.632 1.484 1.00 0.00 C ATOM 104 O GLU A 9 -9.664 -10.165 2.622 1.00 0.00 O ATOM 105 CB GLU A 9 -10.231 -12.951 0.704 1.00 0.00 C ATOM 106 CG GLU A 9 -10.455 -14.028 1.753 1.00 0.00 C ATOM 107 CD GLU A 9 -9.185 -14.784 2.094 1.00 0.00 C ATOM 108 OE1 GLU A 9 -8.386 -15.047 1.170 1.00 0.00 O ATOM 109 OE2 GLU A 9 -8.990 -15.112 3.283 1.00 0.00 O ATOM 0 H GLU A 9 -11.768 -11.715 -0.788 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.496 -11.721 1.934 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.666 -13.279 -0.240 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.160 -12.835 0.538 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.855 -13.571 2.658 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.206 -14.731 1.392 1.00 0.00 H new ATOM 114 N GLU A 10 -8.822 -10.340 0.542 1.00 0.00 N ATOM 115 CA GLU A 10 -7.708 -9.434 0.799 1.00 0.00 C ATOM 116 C GLU A 10 -8.211 -8.079 1.292 1.00 0.00 C ATOM 117 O GLU A 10 -7.810 -7.607 2.356 1.00 0.00 O ATOM 118 CB GLU A 10 -6.870 -9.249 -0.467 1.00 0.00 C ATOM 119 CG GLU A 10 -5.609 -10.097 -0.491 1.00 0.00 C ATOM 120 CD GLU A 10 -5.828 -11.484 0.082 1.00 0.00 C ATOM 121 OE1 GLU A 10 -5.092 -11.860 1.018 1.00 0.00 O ATOM 122 OE2 GLU A 10 -6.733 -12.191 -0.405 1.00 0.00 O ATOM 0 H GLU A 10 -8.849 -10.717 -0.405 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.085 -9.876 1.577 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.480 -9.496 -1.336 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.593 -8.199 -0.559 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.254 -10.184 -1.518 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.826 -9.593 0.076 1.00 0.00 H new ATOM 127 N MET A 11 -9.091 -7.462 0.510 1.00 0.00 N ATOM 128 CA MET A 11 -9.648 -6.162 0.867 1.00 0.00 C ATOM 129 C MET A 11 -9.901 -6.072 2.369 1.00 0.00 C ATOM 130 O MET A 11 -9.584 -5.066 3.002 1.00 0.00 O ATOM 131 CB MET A 11 -10.951 -5.916 0.104 1.00 0.00 C ATOM 132 CG MET A 11 -11.334 -4.447 0.014 1.00 0.00 C ATOM 133 SD MET A 11 -11.556 -3.891 -1.687 1.00 0.00 S ATOM 134 CE MET A 11 -10.333 -2.586 -1.779 1.00 0.00 C ATOM 0 H MET A 11 -9.433 -7.840 -0.373 1.00 0.00 H new ATOM 0 HA MET A 11 -8.923 -5.396 0.592 1.00 0.00 H new ATOM 0 HB2 MET A 11 -10.854 -6.320 -0.904 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.757 -6.464 0.592 1.00 0.00 H new ATOM 0 HG2 MET A 11 -12.257 -4.281 0.570 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.562 -3.844 0.492 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.184 -2.300 -2.820 1.00 0.00 H new ATOM 0 HE2 MET A 11 -10.679 -1.722 -1.212 1.00 0.00 H new ATOM 0 HE3 MET A 11 -9.391 -2.940 -1.361 1.00 0.00 H new ATOM 142 N MET A 12 -10.472 -7.132 2.933 1.00 0.00 N ATOM 143 CA MET A 12 -10.765 -7.172 4.361 1.00 0.00 C ATOM 144 C MET A 12 -9.479 -7.224 5.179 1.00 0.00 C ATOM 145 O MET A 12 -9.301 -6.453 6.121 1.00 0.00 O ATOM 146 CB MET A 12 -11.642 -8.383 4.689 1.00 0.00 C ATOM 147 CG MET A 12 -11.934 -8.536 6.173 1.00 0.00 C ATOM 148 SD MET A 12 -13.464 -9.436 6.491 1.00 0.00 S ATOM 149 CE MET A 12 -13.119 -10.990 5.670 1.00 0.00 C ATOM 0 H MET A 12 -10.741 -7.974 2.423 1.00 0.00 H new ATOM 0 HA MET A 12 -11.303 -6.261 4.622 1.00 0.00 H new ATOM 0 HB2 MET A 12 -12.585 -8.296 4.148 1.00 0.00 H new ATOM 0 HB3 MET A 12 -11.150 -9.286 4.329 1.00 0.00 H new ATOM 0 HG2 MET A 12 -11.104 -9.057 6.651 1.00 0.00 H new ATOM 0 HG3 MET A 12 -11.996 -7.549 6.631 1.00 0.00 H new ATOM 0 HE1 MET A 12 -13.919 -11.699 5.882 1.00 0.00 H new ATOM 0 HE2 MET A 12 -13.055 -10.827 4.594 1.00 0.00 H new ATOM 0 HE3 MET A 12 -12.173 -11.391 6.033 1.00 0.00 H new ATOM 157 N GLU A 13 -8.587 -8.139 4.812 1.00 0.00 N ATOM 158 CA GLU A 13 -7.318 -8.290 5.515 1.00 0.00 C ATOM 159 C GLU A 13 -6.443 -7.054 5.332 1.00 0.00 C ATOM 160 O GLU A 13 -6.076 -6.391 6.303 1.00 0.00 O ATOM 161 CB GLU A 13 -6.577 -9.531 5.011 1.00 0.00 C ATOM 162 CG GLU A 13 -6.806 -10.766 5.867 1.00 0.00 C ATOM 163 CD GLU A 13 -5.749 -10.935 6.942 1.00 0.00 C ATOM 164 OE1 GLU A 13 -6.059 -10.674 8.123 1.00 0.00 O ATOM 165 OE2 GLU A 13 -4.614 -11.328 6.601 1.00 0.00 O ATOM 0 H GLU A 13 -8.719 -8.785 4.034 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.532 -8.408 6.577 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.894 -9.743 3.990 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.509 -9.317 4.976 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.788 -10.702 6.335 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.814 -11.650 5.229 1.00 0.00 H new ATOM 170 N LEU A 14 -6.113 -6.749 4.082 1.00 0.00 N ATOM 171 CA LEU A 14 -5.282 -5.591 3.771 1.00 0.00 C ATOM 172 C LEU A 14 -5.762 -4.357 4.528 1.00 0.00 C ATOM 173 O LEU A 14 -4.977 -3.680 5.192 1.00 0.00 O ATOM 174 CB LEU A 14 -5.295 -5.319 2.266 1.00 0.00 C ATOM 175 CG LEU A 14 -5.169 -6.545 1.361 1.00 0.00 C ATOM 176 CD1 LEU A 14 -4.862 -6.124 -0.068 1.00 0.00 C ATOM 177 CD2 LEU A 14 -4.094 -7.486 1.884 1.00 0.00 C ATOM 0 H LEU A 14 -6.408 -7.287 3.267 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.262 -5.812 4.085 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.223 -4.803 2.018 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.479 -4.635 2.034 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.121 -7.075 1.365 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.776 -7.010 -0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.666 -5.490 -0.441 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.923 -5.570 -0.090 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.018 -8.353 1.227 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.136 -6.966 1.910 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.356 -7.814 2.890 1.00 0.00 H new ATOM 188 N ARG A 15 -7.055 -4.072 4.424 1.00 0.00 N ATOM 189 CA ARG A 15 -7.639 -2.919 5.099 1.00 0.00 C ATOM 190 C ARG A 15 -7.397 -2.990 6.603 1.00 0.00 C ATOM 191 O ARG A 15 -7.021 -1.999 7.228 1.00 0.00 O ATOM 192 CB ARG A 15 -9.141 -2.843 4.816 1.00 0.00 C ATOM 193 CG ARG A 15 -9.888 -1.899 5.743 1.00 0.00 C ATOM 194 CD ARG A 15 -10.923 -2.638 6.577 1.00 0.00 C ATOM 195 NE ARG A 15 -12.255 -2.059 6.437 1.00 0.00 N ATOM 196 CZ ARG A 15 -13.301 -2.436 7.164 1.00 0.00 C ATOM 197 NH1 ARG A 15 -13.169 -3.389 8.077 1.00 0.00 N ATOM 198 NH2 ARG A 15 -14.483 -1.860 6.979 1.00 0.00 N ATOM 0 H ARG A 15 -7.718 -4.623 3.879 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.157 -2.021 4.713 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.292 -2.522 3.785 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -9.570 -3.841 4.905 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.179 -1.398 6.402 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.379 -1.124 5.155 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.950 -3.685 6.276 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.627 -2.615 7.626 1.00 0.00 H new ATOM 0 HE ARG A 15 -12.390 -1.324 5.743 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -12.263 -3.834 8.222 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -13.974 -3.677 8.634 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -14.589 -1.127 6.278 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -15.285 -2.151 7.538 1.00 0.00 H new ATOM 209 N GLU A 16 -7.617 -4.168 7.178 1.00 0.00 N ATOM 210 CA GLU A 16 -7.424 -4.367 8.610 1.00 0.00 C ATOM 211 C GLU A 16 -6.052 -3.865 9.049 1.00 0.00 C ATOM 212 O GLU A 16 -5.945 -2.980 9.897 1.00 0.00 O ATOM 213 CB GLU A 16 -7.576 -5.847 8.967 1.00 0.00 C ATOM 214 CG GLU A 16 -8.722 -6.127 9.925 1.00 0.00 C ATOM 215 CD GLU A 16 -9.193 -7.567 9.866 1.00 0.00 C ATOM 216 OE1 GLU A 16 -10.411 -7.799 10.011 1.00 0.00 O ATOM 217 OE2 GLU A 16 -8.343 -8.462 9.675 1.00 0.00 O ATOM 0 H GLU A 16 -7.929 -4.999 6.675 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.187 -3.794 9.136 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.730 -6.419 8.052 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.646 -6.202 9.412 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.406 -5.893 10.942 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.556 -5.466 9.691 1.00 0.00 H new ATOM 222 N ALA A 17 -5.005 -4.438 8.465 1.00 0.00 N ATOM 223 CA ALA A 17 -3.639 -4.049 8.794 1.00 0.00 C ATOM 224 C ALA A 17 -3.414 -2.563 8.534 1.00 0.00 C ATOM 225 O ALA A 17 -3.027 -1.817 9.433 1.00 0.00 O ATOM 226 CB ALA A 17 -2.646 -4.882 7.997 1.00 0.00 C ATOM 0 H ALA A 17 -5.076 -5.173 7.762 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.481 -4.234 9.857 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.630 -4.581 8.253 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.782 -5.937 8.235 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.813 -4.726 6.931 1.00 0.00 H new ATOM 232 N PHE A 18 -3.658 -2.139 7.298 1.00 0.00 N ATOM 233 CA PHE A 18 -3.481 -0.742 6.920 1.00 0.00 C ATOM 234 C PHE A 18 -3.995 0.187 8.014 1.00 0.00 C ATOM 235 O PHE A 18 -3.266 1.049 8.505 1.00 0.00 O ATOM 236 CB PHE A 18 -4.208 -0.452 5.605 1.00 0.00 C ATOM 237 CG PHE A 18 -4.093 0.978 5.159 1.00 0.00 C ATOM 238 CD1 PHE A 18 -3.186 1.341 4.177 1.00 0.00 C ATOM 239 CD2 PHE A 18 -4.892 1.959 5.724 1.00 0.00 C ATOM 240 CE1 PHE A 18 -3.078 2.655 3.765 1.00 0.00 C ATOM 241 CE2 PHE A 18 -4.789 3.276 5.316 1.00 0.00 C ATOM 242 CZ PHE A 18 -3.880 3.625 4.336 1.00 0.00 C ATOM 0 H PHE A 18 -3.979 -2.743 6.541 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.415 -0.560 6.786 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.806 -1.100 4.826 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.262 -0.705 5.718 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.556 0.588 3.728 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -5.603 1.692 6.492 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.368 2.924 2.997 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -5.419 4.031 5.763 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.796 4.653 4.017 1.00 0.00 H new ATOM 251 N ALA A 19 -5.256 0.007 8.392 1.00 0.00 N ATOM 252 CA ALA A 19 -5.869 0.828 9.430 1.00 0.00 C ATOM 253 C ALA A 19 -5.001 0.865 10.683 1.00 0.00 C ATOM 254 O ALA A 19 -4.762 1.930 11.253 1.00 0.00 O ATOM 255 CB ALA A 19 -7.258 0.306 9.763 1.00 0.00 C ATOM 0 H ALA A 19 -5.874 -0.701 7.995 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.957 1.846 9.050 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.704 0.928 10.539 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.882 0.337 8.870 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.185 -0.722 10.119 1.00 0.00 H new ATOM 261 N LYS A 20 -4.532 -0.303 11.108 1.00 0.00 N ATOM 262 CA LYS A 20 -3.689 -0.404 12.294 1.00 0.00 C ATOM 263 C LYS A 20 -2.473 0.510 12.176 1.00 0.00 C ATOM 264 O LYS A 20 -1.944 0.988 13.180 1.00 0.00 O ATOM 265 CB LYS A 20 -3.235 -1.851 12.501 1.00 0.00 C ATOM 266 CG LYS A 20 -4.368 -2.859 12.426 1.00 0.00 C ATOM 267 CD LYS A 20 -4.376 -3.779 13.636 1.00 0.00 C ATOM 268 CE LYS A 20 -3.019 -4.433 13.847 1.00 0.00 C ATOM 269 NZ LYS A 20 -3.049 -5.432 14.952 1.00 0.00 N ATOM 0 H LYS A 20 -4.721 -1.194 10.649 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.277 -0.088 13.156 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.488 -2.100 11.748 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.748 -1.935 13.473 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.321 -2.333 12.361 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.269 -3.452 11.517 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.649 -3.211 14.525 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.136 -4.549 13.504 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.704 -4.921 12.925 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.277 -3.666 14.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.105 -5.855 15.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.325 -4.962 15.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.738 -6.178 14.727 1.00 0.00 H new ATOM 279 N VAL A 21 -2.036 0.751 10.945 1.00 0.00 N ATOM 280 CA VAL A 21 -0.884 1.609 10.697 1.00 0.00 C ATOM 281 C VAL A 21 -1.315 2.954 10.124 1.00 0.00 C ATOM 282 O VAL A 21 -0.479 3.783 9.763 1.00 0.00 O ATOM 283 CB VAL A 21 0.112 0.946 9.727 1.00 0.00 C ATOM 284 CG1 VAL A 21 1.440 0.685 10.422 1.00 0.00 C ATOM 285 CG2 VAL A 21 -0.468 -0.344 9.167 1.00 0.00 C ATOM 0 H VAL A 21 -2.462 0.364 10.103 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.394 1.766 11.658 1.00 0.00 H new ATOM 0 HB VAL A 21 0.291 1.628 8.896 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.131 0.216 9.722 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.860 1.629 10.770 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.281 0.023 11.273 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.249 -0.799 8.484 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.678 -1.034 9.985 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.391 -0.125 8.631 1.00 0.00 H new ATOM 295 N ASP A 22 -2.624 3.165 10.042 1.00 0.00 N ATOM 296 CA ASP A 22 -3.167 4.411 9.514 1.00 0.00 C ATOM 297 C ASP A 22 -3.794 5.245 10.626 1.00 0.00 C ATOM 298 O ASP A 22 -4.901 5.765 10.479 1.00 0.00 O ATOM 299 CB ASP A 22 -4.206 4.120 8.429 1.00 0.00 C ATOM 300 CG ASP A 22 -4.666 5.377 7.716 1.00 0.00 C ATOM 301 OD1 ASP A 22 -5.892 5.561 7.569 1.00 0.00 O ATOM 302 OD2 ASP A 22 -3.798 6.177 7.307 1.00 0.00 O ATOM 0 H ASP A 22 -3.329 2.489 10.335 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.346 4.980 9.077 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.783 3.427 7.701 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -5.067 3.625 8.878 1.00 0.00 H new ATOM 306 N THR A 23 -3.081 5.368 11.741 1.00 0.00 N ATOM 307 CA THR A 23 -3.567 6.138 12.879 1.00 0.00 C ATOM 308 C THR A 23 -3.317 7.628 12.684 1.00 0.00 C ATOM 309 O THR A 23 -3.596 8.436 13.570 1.00 0.00 O ATOM 310 CB THR A 23 -2.899 5.684 14.190 1.00 0.00 C ATOM 311 OG1 THR A 23 -3.493 6.363 15.303 1.00 0.00 O ATOM 312 CG2 THR A 23 -1.404 5.962 14.160 1.00 0.00 C ATOM 0 H THR A 23 -2.164 4.944 11.880 1.00 0.00 H new ATOM 0 HA THR A 23 -4.640 5.959 12.945 1.00 0.00 H new ATOM 0 HB THR A 23 -3.051 4.610 14.296 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.738 7.274 15.038 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.954 5.633 15.097 1.00 0.00 H new ATOM 0 HG22 THR A 23 -0.950 5.421 13.329 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.235 7.031 14.032 1.00 0.00 H new ATOM 320 N ASP A 24 -2.790 7.987 11.518 1.00 0.00 N ATOM 321 CA ASP A 24 -2.503 9.383 11.206 1.00 0.00 C ATOM 322 C ASP A 24 -3.784 10.211 11.193 1.00 0.00 C ATOM 323 O ASP A 24 -3.741 11.440 11.242 1.00 0.00 O ATOM 324 CB ASP A 24 -1.799 9.490 9.852 1.00 0.00 C ATOM 325 CG ASP A 24 -2.433 8.604 8.798 1.00 0.00 C ATOM 326 OD1 ASP A 24 -1.983 7.449 8.644 1.00 0.00 O ATOM 327 OD2 ASP A 24 -3.379 9.065 8.126 1.00 0.00 O ATOM 0 H ASP A 24 -2.553 7.331 10.774 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.845 9.776 11.982 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.823 10.526 9.514 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.750 9.217 9.969 1.00 0.00 H new ATOM 331 N GLY A 25 -4.923 9.529 11.126 1.00 0.00 N ATOM 332 CA GLY A 25 -6.200 10.218 11.107 1.00 0.00 C ATOM 333 C GLY A 25 -6.407 11.021 9.839 1.00 0.00 C ATOM 334 O GLY A 25 -7.241 11.925 9.797 1.00 0.00 O ATOM 0 H GLY A 25 -4.984 8.512 11.085 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.004 9.489 11.207 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.263 10.883 11.969 1.00 0.00 H new ATOM 338 N ASN A 26 -5.644 10.692 8.802 1.00 0.00 N ATOM 339 CA ASN A 26 -5.746 11.392 7.526 1.00 0.00 C ATOM 340 C ASN A 26 -6.284 10.466 6.439 1.00 0.00 C ATOM 341 O ASN A 26 -6.779 10.922 5.409 1.00 0.00 O ATOM 342 CB ASN A 26 -4.380 11.943 7.112 1.00 0.00 C ATOM 343 CG ASN A 26 -3.810 12.904 8.137 1.00 0.00 C ATOM 344 OD1 ASN A 26 -4.455 13.883 8.513 1.00 0.00 O ATOM 345 ND2 ASN A 26 -2.594 12.628 8.595 1.00 0.00 N ATOM 0 H ASN A 26 -4.949 9.946 8.820 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.442 12.221 7.650 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.686 11.115 6.968 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.472 12.452 6.152 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.159 13.239 9.286 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.096 11.805 8.255 1.00 0.00 H new ATOM 351 N GLY A 27 -6.182 9.162 6.677 1.00 0.00 N ATOM 352 CA GLY A 27 -6.663 8.192 5.710 1.00 0.00 C ATOM 353 C GLY A 27 -5.533 7.475 4.998 1.00 0.00 C ATOM 354 O GLY A 27 -5.689 6.334 4.564 1.00 0.00 O ATOM 0 H GLY A 27 -5.775 8.760 7.522 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.292 7.460 6.216 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.290 8.696 4.975 1.00 0.00 H new ATOM 358 N TYR A 28 -4.394 8.147 4.874 1.00 0.00 N ATOM 359 CA TYR A 28 -3.234 7.567 4.205 1.00 0.00 C ATOM 360 C TYR A 28 -2.098 7.327 5.195 1.00 0.00 C ATOM 361 O TYR A 28 -1.898 8.105 6.128 1.00 0.00 O ATOM 362 CB TYR A 28 -2.759 8.486 3.079 1.00 0.00 C ATOM 363 CG TYR A 28 -2.969 9.955 3.365 1.00 0.00 C ATOM 364 CD1 TYR A 28 -3.876 10.704 2.627 1.00 0.00 C ATOM 365 CD2 TYR A 28 -2.260 10.595 4.374 1.00 0.00 C ATOM 366 CE1 TYR A 28 -4.072 12.047 2.884 1.00 0.00 C ATOM 367 CE2 TYR A 28 -2.449 11.938 4.640 1.00 0.00 C ATOM 368 CZ TYR A 28 -3.357 12.659 3.892 1.00 0.00 C ATOM 369 OH TYR A 28 -3.547 13.997 4.153 1.00 0.00 O ATOM 0 H TYR A 28 -4.249 9.093 5.227 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.531 6.607 3.782 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.699 8.308 2.899 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -3.286 8.224 2.162 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -4.439 10.228 1.838 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.549 10.033 4.961 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -4.781 12.614 2.299 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -1.890 12.420 5.428 1.00 0.00 H new ATOM 0 HH TYR A 28 -2.967 14.271 4.894 1.00 0.00 H new ATOM 378 N ILE A 29 -1.358 6.244 4.984 1.00 0.00 N ATOM 379 CA ILE A 29 -0.241 5.901 5.855 1.00 0.00 C ATOM 380 C ILE A 29 1.083 6.370 5.262 1.00 0.00 C ATOM 381 O ILE A 29 1.215 6.514 4.046 1.00 0.00 O ATOM 382 CB ILE A 29 -0.169 4.384 6.107 1.00 0.00 C ATOM 383 CG1 ILE A 29 0.052 3.636 4.790 1.00 0.00 C ATOM 384 CG2 ILE A 29 -1.438 3.900 6.792 1.00 0.00 C ATOM 385 CD1 ILE A 29 0.028 2.131 4.939 1.00 0.00 C ATOM 0 H ILE A 29 -1.512 5.589 4.217 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.412 6.411 6.803 1.00 0.00 H new ATOM 0 HB ILE A 29 0.676 4.179 6.765 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.717 3.935 4.078 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.011 3.936 4.368 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.372 2.826 6.963 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.555 4.413 7.747 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.298 4.114 6.158 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.191 1.666 3.967 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.815 1.821 5.626 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.940 1.820 5.332 1.00 0.00 H new ATOM 396 N SER A 30 2.063 6.607 6.128 1.00 0.00 N ATOM 397 CA SER A 30 3.378 7.062 5.691 1.00 0.00 C ATOM 398 C SER A 30 4.150 5.928 5.023 1.00 0.00 C ATOM 399 O SER A 30 3.812 4.754 5.179 1.00 0.00 O ATOM 400 CB SER A 30 4.174 7.606 6.878 1.00 0.00 C ATOM 401 OG SER A 30 3.708 8.889 7.260 1.00 0.00 O ATOM 0 H SER A 30 1.971 6.491 7.137 1.00 0.00 H new ATOM 0 HA SER A 30 3.235 7.860 4.963 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.091 6.920 7.721 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.231 7.663 6.616 1.00 0.00 H new ATOM 0 HG SER A 30 4.232 9.214 8.022 1.00 0.00 H new ATOM 406 N PHE A 31 5.189 6.289 4.277 1.00 0.00 N ATOM 407 CA PHE A 31 6.010 5.302 3.584 1.00 0.00 C ATOM 408 C PHE A 31 6.409 4.169 4.523 1.00 0.00 C ATOM 409 O PHE A 31 6.141 2.999 4.251 1.00 0.00 O ATOM 410 CB PHE A 31 7.263 5.966 3.006 1.00 0.00 C ATOM 411 CG PHE A 31 7.092 6.438 1.591 1.00 0.00 C ATOM 412 CD1 PHE A 31 6.610 7.708 1.322 1.00 0.00 C ATOM 413 CD2 PHE A 31 7.414 5.609 0.527 1.00 0.00 C ATOM 414 CE1 PHE A 31 6.453 8.146 0.021 1.00 0.00 C ATOM 415 CE2 PHE A 31 7.259 6.041 -0.777 1.00 0.00 C ATOM 416 CZ PHE A 31 6.777 7.311 -1.030 1.00 0.00 C ATOM 0 H PHE A 31 5.482 7.256 4.137 1.00 0.00 H new ATOM 0 HA PHE A 31 5.419 4.883 2.769 1.00 0.00 H new ATOM 0 HB2 PHE A 31 7.537 6.814 3.633 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.091 5.259 3.047 1.00 0.00 H new ATOM 0 HD1 PHE A 31 6.353 8.365 2.140 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.790 4.615 0.719 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.078 9.140 -0.174 1.00 0.00 H new ATOM 0 HE2 PHE A 31 7.514 5.386 -1.597 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.654 7.650 -2.048 1.00 0.00 H new ATOM 425 N ASN A 32 7.053 4.524 5.630 1.00 0.00 N ATOM 426 CA ASN A 32 7.491 3.538 6.610 1.00 0.00 C ATOM 427 C ASN A 32 6.339 2.624 7.015 1.00 0.00 C ATOM 428 O ASN A 32 6.490 1.404 7.066 1.00 0.00 O ATOM 429 CB ASN A 32 8.061 4.235 7.847 1.00 0.00 C ATOM 430 CG ASN A 32 9.011 3.347 8.626 1.00 0.00 C ATOM 431 OD1 ASN A 32 8.625 2.720 9.614 1.00 0.00 O ATOM 432 ND2 ASN A 32 10.262 3.287 8.184 1.00 0.00 N ATOM 0 H ASN A 32 7.283 5.488 5.871 1.00 0.00 H new ATOM 0 HA ASN A 32 8.271 2.930 6.152 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.584 5.141 7.541 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.242 4.543 8.496 1.00 0.00 H new ATOM 0 HD21 ASN A 32 10.946 2.705 8.667 1.00 0.00 H new ATOM 0 HD22 ASN A 32 10.539 3.823 7.361 1.00 0.00 H new ATOM 438 N GLU A 33 5.186 3.224 7.299 1.00 0.00 N ATOM 439 CA GLU A 33 4.008 2.462 7.698 1.00 0.00 C ATOM 440 C GLU A 33 3.579 1.504 6.591 1.00 0.00 C ATOM 441 O GLU A 33 3.212 0.358 6.854 1.00 0.00 O ATOM 442 CB GLU A 33 2.856 3.408 8.044 1.00 0.00 C ATOM 443 CG GLU A 33 3.199 4.412 9.132 1.00 0.00 C ATOM 444 CD GLU A 33 4.354 3.958 10.003 1.00 0.00 C ATOM 445 OE1 GLU A 33 4.208 2.924 10.688 1.00 0.00 O ATOM 446 OE2 GLU A 33 5.402 4.635 10.001 1.00 0.00 O ATOM 0 H GLU A 33 5.043 4.233 7.260 1.00 0.00 H new ATOM 0 HA GLU A 33 4.266 1.877 8.581 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.557 3.947 7.145 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.996 2.819 8.363 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.450 5.368 8.673 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.322 4.579 9.757 1.00 0.00 H new ATOM 451 N LEU A 34 3.625 1.982 5.352 1.00 0.00 N ATOM 452 CA LEU A 34 3.240 1.169 4.204 1.00 0.00 C ATOM 453 C LEU A 34 4.027 -0.137 4.174 1.00 0.00 C ATOM 454 O LEU A 34 3.453 -1.222 4.256 1.00 0.00 O ATOM 455 CB LEU A 34 3.468 1.945 2.905 1.00 0.00 C ATOM 456 CG LEU A 34 3.635 1.102 1.641 1.00 0.00 C ATOM 457 CD1 LEU A 34 2.313 0.459 1.250 1.00 0.00 C ATOM 458 CD2 LEU A 34 4.174 1.954 0.501 1.00 0.00 C ATOM 0 H LEU A 34 3.925 2.928 5.117 1.00 0.00 H new ATOM 0 HA LEU A 34 2.180 0.931 4.297 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.627 2.622 2.757 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.358 2.563 3.026 1.00 0.00 H new ATOM 0 HG LEU A 34 4.354 0.309 1.847 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.451 -0.137 0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.967 -0.183 2.060 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.572 1.236 1.061 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.287 1.338 -0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.479 2.768 0.295 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.143 2.367 0.782 1.00 0.00 H new ATOM 469 N ASN A 35 5.347 -0.025 4.057 1.00 0.00 N ATOM 470 CA ASN A 35 6.213 -1.197 4.018 1.00 0.00 C ATOM 471 C ASN A 35 5.910 -2.137 5.181 1.00 0.00 C ATOM 472 O ASN A 35 5.739 -3.342 4.991 1.00 0.00 O ATOM 473 CB ASN A 35 7.682 -0.773 4.059 1.00 0.00 C ATOM 474 CG ASN A 35 8.628 -1.954 3.950 1.00 0.00 C ATOM 475 OD1 ASN A 35 8.574 -2.883 4.756 1.00 0.00 O ATOM 476 ND2 ASN A 35 9.502 -1.921 2.951 1.00 0.00 N ATOM 0 H ASN A 35 5.839 0.866 3.988 1.00 0.00 H new ATOM 0 HA ASN A 35 6.021 -1.728 3.086 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.879 -0.077 3.244 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.877 -0.239 4.989 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.165 -2.686 2.828 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.510 -1.130 2.307 1.00 0.00 H new ATOM 482 N ASP A 36 5.845 -1.578 6.384 1.00 0.00 N ATOM 483 CA ASP A 36 5.561 -2.364 7.578 1.00 0.00 C ATOM 484 C ASP A 36 4.210 -3.063 7.461 1.00 0.00 C ATOM 485 O ASP A 36 4.035 -4.184 7.939 1.00 0.00 O ATOM 486 CB ASP A 36 5.582 -1.472 8.820 1.00 0.00 C ATOM 487 CG ASP A 36 6.861 -0.666 8.932 1.00 0.00 C ATOM 488 OD1 ASP A 36 7.832 -0.993 8.219 1.00 0.00 O ATOM 489 OD2 ASP A 36 6.889 0.294 9.732 1.00 0.00 O ATOM 0 H ASP A 36 5.985 -0.583 6.558 1.00 0.00 H new ATOM 0 HA ASP A 36 6.336 -3.125 7.674 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.730 -0.793 8.791 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.467 -2.091 9.710 1.00 0.00 H new ATOM 493 N LEU A 37 3.257 -2.392 6.823 1.00 0.00 N ATOM 494 CA LEU A 37 1.920 -2.947 6.643 1.00 0.00 C ATOM 495 C LEU A 37 1.943 -4.121 5.670 1.00 0.00 C ATOM 496 O LEU A 37 1.209 -5.095 5.837 1.00 0.00 O ATOM 497 CB LEU A 37 0.963 -1.868 6.135 1.00 0.00 C ATOM 498 CG LEU A 37 -0.096 -2.328 5.132 1.00 0.00 C ATOM 499 CD1 LEU A 37 -1.027 -3.348 5.768 1.00 0.00 C ATOM 500 CD2 LEU A 37 -0.886 -1.138 4.605 1.00 0.00 C ATOM 0 H LEU A 37 3.385 -1.463 6.422 1.00 0.00 H new ATOM 0 HA LEU A 37 1.571 -3.308 7.610 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.455 -1.428 6.993 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.552 -1.076 5.673 1.00 0.00 H new ATOM 0 HG LEU A 37 0.410 -2.803 4.292 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.774 -3.663 5.039 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.450 -4.213 6.094 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.526 -2.899 6.627 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.635 -1.485 3.893 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.381 -0.634 5.435 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.209 -0.442 4.110 1.00 0.00 H new ATOM 511 N PHE A 38 2.794 -4.022 4.653 1.00 0.00 N ATOM 512 CA PHE A 38 2.916 -5.077 3.654 1.00 0.00 C ATOM 513 C PHE A 38 3.399 -6.377 4.290 1.00 0.00 C ATOM 514 O PHE A 38 2.929 -7.462 3.947 1.00 0.00 O ATOM 515 CB PHE A 38 3.880 -4.649 2.545 1.00 0.00 C ATOM 516 CG PHE A 38 3.211 -4.444 1.215 1.00 0.00 C ATOM 517 CD1 PHE A 38 3.129 -5.481 0.299 1.00 0.00 C ATOM 518 CD2 PHE A 38 2.665 -3.215 0.882 1.00 0.00 C ATOM 519 CE1 PHE A 38 2.515 -5.295 -0.926 1.00 0.00 C ATOM 520 CE2 PHE A 38 2.049 -3.024 -0.340 1.00 0.00 C ATOM 521 CZ PHE A 38 1.975 -4.065 -1.246 1.00 0.00 C ATOM 0 H PHE A 38 3.408 -3.222 4.500 1.00 0.00 H new ATOM 0 HA PHE A 38 1.930 -5.250 3.223 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.374 -3.723 2.841 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.658 -5.405 2.439 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.549 -6.445 0.545 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.721 -2.397 1.585 1.00 0.00 H new ATOM 0 HE1 PHE A 38 2.458 -6.111 -1.632 1.00 0.00 H new ATOM 0 HE2 PHE A 38 1.626 -2.062 -0.587 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.496 -3.917 -2.202 1.00 0.00 H new ATOM 530 N LYS A 39 4.342 -6.259 5.218 1.00 0.00 N ATOM 531 CA LYS A 39 4.890 -7.423 5.904 1.00 0.00 C ATOM 532 C LYS A 39 4.047 -7.784 7.123 1.00 0.00 C ATOM 533 O LYS A 39 4.047 -8.929 7.572 1.00 0.00 O ATOM 534 CB LYS A 39 6.335 -7.155 6.332 1.00 0.00 C ATOM 535 CG LYS A 39 7.184 -6.521 5.243 1.00 0.00 C ATOM 536 CD LYS A 39 8.667 -6.716 5.508 1.00 0.00 C ATOM 537 CE LYS A 39 9.096 -8.153 5.254 1.00 0.00 C ATOM 538 NZ LYS A 39 8.893 -8.549 3.833 1.00 0.00 N ATOM 0 H LYS A 39 4.743 -5.369 5.513 1.00 0.00 H new ATOM 0 HA LYS A 39 4.872 -8.263 5.210 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.331 -6.502 7.205 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.795 -8.095 6.639 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.925 -6.958 4.278 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.962 -5.456 5.181 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.243 -6.045 4.870 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.892 -6.445 6.540 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.147 -8.270 5.517 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.529 -8.821 5.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.150 -9.274 3.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.607 -7.717 3.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.780 -8.933 3.449 1.00 0.00 H new ATOM 548 N ALA A 40 3.330 -6.799 7.653 1.00 0.00 N ATOM 549 CA ALA A 40 2.479 -7.014 8.817 1.00 0.00 C ATOM 550 C ALA A 40 1.172 -7.692 8.425 1.00 0.00 C ATOM 551 O ALA A 40 0.535 -8.355 9.243 1.00 0.00 O ATOM 552 CB ALA A 40 2.201 -5.692 9.518 1.00 0.00 C ATOM 0 H ALA A 40 3.321 -5.844 7.295 1.00 0.00 H new ATOM 0 HA ALA A 40 3.007 -7.674 9.505 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.564 -5.867 10.385 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.142 -5.247 9.842 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.697 -5.014 8.829 1.00 0.00 H new ATOM 558 N ALA A 41 0.776 -7.522 7.167 1.00 0.00 N ATOM 559 CA ALA A 41 -0.455 -8.120 6.666 1.00 0.00 C ATOM 560 C ALA A 41 -0.193 -9.499 6.069 1.00 0.00 C ATOM 561 O ALA A 41 -1.029 -10.041 5.345 1.00 0.00 O ATOM 562 CB ALA A 41 -1.101 -7.208 5.632 1.00 0.00 C ATOM 0 H ALA A 41 1.290 -6.975 6.477 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.139 -8.242 7.506 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.020 -7.666 5.266 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.333 -6.246 6.089 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.414 -7.058 4.799 1.00 0.00 H new ATOM 568 N CYS A 42 0.971 -10.059 6.376 1.00 0.00 N ATOM 569 CA CYS A 42 1.344 -11.375 5.868 1.00 0.00 C ATOM 570 C CYS A 42 1.114 -11.461 4.363 1.00 0.00 C ATOM 571 O CYS A 42 0.531 -12.428 3.868 1.00 0.00 O ATOM 572 CB CYS A 42 0.544 -12.465 6.582 1.00 0.00 C ATOM 573 SG CYS A 42 1.120 -12.825 8.259 1.00 0.00 S ATOM 0 H CYS A 42 1.673 -9.623 6.974 1.00 0.00 H new ATOM 0 HA CYS A 42 2.405 -11.526 6.064 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.502 -12.163 6.626 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.588 -13.379 5.990 1.00 0.00 H new ATOM 0 HG CYS A 42 0.380 -13.758 8.781 1.00 0.00 H new ATOM 578 N LEU A 43 1.572 -10.446 3.640 1.00 0.00 N ATOM 579 CA LEU A 43 1.415 -10.406 2.191 1.00 0.00 C ATOM 580 C LEU A 43 2.440 -11.305 1.507 1.00 0.00 C ATOM 581 O LEU A 43 3.502 -11.606 2.055 1.00 0.00 O ATOM 582 CB LEU A 43 1.559 -8.971 1.682 1.00 0.00 C ATOM 583 CG LEU A 43 0.518 -7.972 2.189 1.00 0.00 C ATOM 584 CD1 LEU A 43 0.420 -6.779 1.250 1.00 0.00 C ATOM 585 CD2 LEU A 43 -0.838 -8.645 2.343 1.00 0.00 C ATOM 0 H LEU A 43 2.056 -9.639 4.034 1.00 0.00 H new ATOM 0 HA LEU A 43 0.418 -10.773 1.948 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.548 -8.606 1.958 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.518 -8.987 0.593 1.00 0.00 H new ATOM 0 HG LEU A 43 0.835 -7.612 3.168 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.326 -6.079 1.627 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.388 -6.281 1.192 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.127 -7.121 0.257 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.566 -7.919 2.705 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.163 -9.034 1.378 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.758 -9.465 3.057 1.00 0.00 H new ATOM 596 N PRO A 44 2.120 -11.742 0.280 1.00 0.00 N ATOM 597 CA PRO A 44 3.001 -12.611 -0.506 1.00 0.00 C ATOM 598 C PRO A 44 4.252 -11.885 -0.986 1.00 0.00 C ATOM 599 O PRO A 44 5.364 -12.405 -0.881 1.00 0.00 O ATOM 600 CB PRO A 44 2.129 -13.017 -1.697 1.00 0.00 C ATOM 601 CG PRO A 44 1.134 -11.917 -1.830 1.00 0.00 C ATOM 602 CD PRO A 44 0.872 -11.424 -0.434 1.00 0.00 C ATOM 0 HA PRO A 44 3.368 -13.455 0.078 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.723 -13.125 -2.604 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.639 -13.975 -1.521 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.520 -11.116 -2.461 1.00 0.00 H new ATOM 0 HG3 PRO A 44 0.216 -12.275 -2.296 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.661 -10.355 -0.418 1.00 0.00 H new ATOM 0 HD3 PRO A 44 0.014 -11.924 0.014 1.00 0.00 H new ATOM 607 N LEU A 45 4.066 -10.679 -1.513 1.00 0.00 N ATOM 608 CA LEU A 45 5.182 -9.879 -2.008 1.00 0.00 C ATOM 609 C LEU A 45 6.304 -9.813 -0.978 1.00 0.00 C ATOM 610 O LEU A 45 6.070 -9.676 0.222 1.00 0.00 O ATOM 611 CB LEU A 45 4.707 -8.468 -2.357 1.00 0.00 C ATOM 612 CG LEU A 45 3.578 -8.373 -3.384 1.00 0.00 C ATOM 613 CD1 LEU A 45 3.727 -7.117 -4.227 1.00 0.00 C ATOM 614 CD2 LEU A 45 3.555 -9.611 -4.268 1.00 0.00 C ATOM 0 H LEU A 45 3.153 -10.234 -1.609 1.00 0.00 H new ATOM 0 HA LEU A 45 5.570 -10.357 -2.908 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.378 -7.980 -1.440 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.560 -7.902 -2.731 1.00 0.00 H new ATOM 0 HG LEU A 45 2.630 -8.316 -2.848 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.915 -7.067 -4.952 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.692 -6.239 -3.582 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.681 -7.143 -4.753 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.745 -9.526 -4.993 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.505 -9.700 -4.795 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.398 -10.496 -3.651 1.00 0.00 H new ATOM 625 N PRO A 46 7.553 -9.908 -1.457 1.00 0.00 N ATOM 626 CA PRO A 46 8.738 -9.858 -0.594 1.00 0.00 C ATOM 627 C PRO A 46 8.965 -8.470 -0.003 1.00 0.00 C ATOM 628 O PRO A 46 8.118 -7.587 -0.123 1.00 0.00 O ATOM 629 CB PRO A 46 9.882 -10.230 -1.541 1.00 0.00 C ATOM 630 CG PRO A 46 9.392 -9.848 -2.895 1.00 0.00 C ATOM 631 CD PRO A 46 7.906 -10.072 -2.877 1.00 0.00 C ATOM 0 HA PRO A 46 8.646 -10.522 0.266 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.797 -9.695 -1.286 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.109 -11.295 -1.488 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.627 -8.807 -3.115 1.00 0.00 H new ATOM 0 HG3 PRO A 46 9.868 -10.452 -3.667 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.384 -9.352 -3.507 1.00 0.00 H new ATOM 0 HD3 PRO A 46 7.645 -11.065 -3.244 1.00 0.00 H new ATOM 636 N GLY A 47 10.116 -8.286 0.636 1.00 0.00 N ATOM 637 CA GLY A 47 10.434 -7.004 1.236 1.00 0.00 C ATOM 638 C GLY A 47 10.956 -6.003 0.224 1.00 0.00 C ATOM 639 O GLY A 47 10.602 -4.826 0.265 1.00 0.00 O ATOM 0 H GLY A 47 10.834 -9.002 0.749 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.543 -6.600 1.716 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.179 -7.147 2.018 1.00 0.00 H new ATOM 643 N TYR A 48 11.803 -6.472 -0.686 1.00 0.00 N ATOM 644 CA TYR A 48 12.379 -5.610 -1.711 1.00 0.00 C ATOM 645 C TYR A 48 11.307 -5.131 -2.685 1.00 0.00 C ATOM 646 O TYR A 48 11.341 -3.993 -3.152 1.00 0.00 O ATOM 647 CB TYR A 48 13.481 -6.351 -2.471 1.00 0.00 C ATOM 648 CG TYR A 48 12.974 -7.522 -3.283 1.00 0.00 C ATOM 649 CD1 TYR A 48 12.955 -8.805 -2.750 1.00 0.00 C ATOM 650 CD2 TYR A 48 12.514 -7.345 -4.581 1.00 0.00 C ATOM 651 CE1 TYR A 48 12.494 -9.878 -3.488 1.00 0.00 C ATOM 652 CE2 TYR A 48 12.050 -8.412 -5.326 1.00 0.00 C ATOM 653 CZ TYR A 48 12.042 -9.676 -4.775 1.00 0.00 C ATOM 654 OH TYR A 48 11.582 -10.742 -5.514 1.00 0.00 O ATOM 0 H TYR A 48 12.106 -7.445 -0.734 1.00 0.00 H new ATOM 0 HA TYR A 48 12.811 -4.739 -1.217 1.00 0.00 H new ATOM 0 HB2 TYR A 48 13.987 -5.650 -3.136 1.00 0.00 H new ATOM 0 HB3 TYR A 48 14.225 -6.708 -1.759 1.00 0.00 H new ATOM 0 HD1 TYR A 48 13.307 -8.966 -1.742 1.00 0.00 H new ATOM 0 HD2 TYR A 48 12.519 -6.356 -5.016 1.00 0.00 H new ATOM 0 HE1 TYR A 48 12.488 -10.869 -3.059 1.00 0.00 H new ATOM 0 HE2 TYR A 48 11.696 -8.257 -6.334 1.00 0.00 H new ATOM 0 HH TYR A 48 11.300 -10.429 -6.399 1.00 0.00 H new ATOM 663 N ARG A 49 10.356 -6.010 -2.986 1.00 0.00 N ATOM 664 CA ARG A 49 9.274 -5.678 -3.904 1.00 0.00 C ATOM 665 C ARG A 49 8.537 -4.423 -3.447 1.00 0.00 C ATOM 666 O ARG A 49 8.348 -3.484 -4.220 1.00 0.00 O ATOM 667 CB ARG A 49 8.293 -6.847 -4.013 1.00 0.00 C ATOM 668 CG ARG A 49 8.534 -7.733 -5.225 1.00 0.00 C ATOM 669 CD ARG A 49 7.430 -7.576 -6.259 1.00 0.00 C ATOM 670 NE ARG A 49 6.861 -8.863 -6.652 1.00 0.00 N ATOM 671 CZ ARG A 49 5.759 -8.987 -7.382 1.00 0.00 C ATOM 672 NH1 ARG A 49 5.111 -7.908 -7.798 1.00 0.00 N ATOM 673 NH2 ARG A 49 5.304 -10.193 -7.700 1.00 0.00 N ATOM 0 H ARG A 49 10.313 -6.956 -2.608 1.00 0.00 H new ATOM 0 HA ARG A 49 9.710 -5.485 -4.884 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.362 -7.454 -3.110 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.277 -6.455 -4.056 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.494 -7.482 -5.676 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.593 -8.775 -4.909 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.643 -6.940 -5.855 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.827 -7.071 -7.140 1.00 0.00 H new ATOM 0 HE ARG A 49 7.337 -9.713 -6.349 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.459 -6.980 -7.557 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.265 -8.006 -8.359 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.801 -11.025 -7.383 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.457 -10.287 -8.261 1.00 0.00 H new ATOM 684 N VAL A 50 8.123 -4.413 -2.183 1.00 0.00 N ATOM 685 CA VAL A 50 7.407 -3.274 -1.622 1.00 0.00 C ATOM 686 C VAL A 50 8.272 -2.018 -1.642 1.00 0.00 C ATOM 687 O VAL A 50 7.908 -1.011 -2.249 1.00 0.00 O ATOM 688 CB VAL A 50 6.958 -3.551 -0.175 1.00 0.00 C ATOM 689 CG1 VAL A 50 6.083 -2.418 0.338 1.00 0.00 C ATOM 690 CG2 VAL A 50 6.224 -4.882 -0.092 1.00 0.00 C ATOM 0 H VAL A 50 8.272 -5.181 -1.529 1.00 0.00 H new ATOM 0 HA VAL A 50 6.526 -3.116 -2.244 1.00 0.00 H new ATOM 0 HB VAL A 50 7.843 -3.609 0.458 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.775 -2.631 1.362 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.646 -1.485 0.315 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.200 -2.325 -0.294 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.913 -5.063 0.937 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.345 -4.854 -0.737 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.887 -5.684 -0.417 1.00 0.00 H new ATOM 700 N ARG A 51 9.419 -2.086 -0.974 1.00 0.00 N ATOM 701 CA ARG A 51 10.336 -0.954 -0.915 1.00 0.00 C ATOM 702 C ARG A 51 10.641 -0.426 -2.313 1.00 0.00 C ATOM 703 O ARG A 51 10.659 0.783 -2.540 1.00 0.00 O ATOM 704 CB ARG A 51 11.635 -1.359 -0.217 1.00 0.00 C ATOM 705 CG ARG A 51 12.600 -0.204 -0.007 1.00 0.00 C ATOM 706 CD ARG A 51 13.943 -0.471 -0.668 1.00 0.00 C ATOM 707 NE ARG A 51 15.053 -0.336 0.272 1.00 0.00 N ATOM 708 CZ ARG A 51 16.323 -0.548 -0.055 1.00 0.00 C ATOM 709 NH1 ARG A 51 16.641 -0.901 -1.292 1.00 0.00 N ATOM 710 NH2 ARG A 51 17.277 -0.405 0.856 1.00 0.00 N ATOM 0 H ARG A 51 9.735 -2.912 -0.466 1.00 0.00 H new ATOM 0 HA ARG A 51 9.856 -0.160 -0.343 1.00 0.00 H new ATOM 0 HB2 ARG A 51 11.395 -1.801 0.750 1.00 0.00 H new ATOM 0 HB3 ARG A 51 12.129 -2.131 -0.807 1.00 0.00 H new ATOM 0 HG2 ARG A 51 12.168 0.710 -0.414 1.00 0.00 H new ATOM 0 HG3 ARG A 51 12.745 -0.040 1.061 1.00 0.00 H new ATOM 0 HD2 ARG A 51 13.946 -1.476 -1.090 1.00 0.00 H new ATOM 0 HD3 ARG A 51 14.083 0.223 -1.497 1.00 0.00 H new ATOM 0 HE ARG A 51 14.841 -0.064 1.232 1.00 0.00 H new ATOM 0 HH11 ARG A 51 15.910 -1.010 -1.995 1.00 0.00 H new ATOM 0 HH12 ARG A 51 17.617 -1.063 -1.541 1.00 0.00 H new ATOM 0 HH21 ARG A 51 17.036 -0.132 1.809 1.00 0.00 H new ATOM 0 HH22 ARG A 51 18.252 -0.568 0.604 1.00 0.00 H new ATOM 721 N GLU A 52 10.877 -1.342 -3.247 1.00 0.00 N ATOM 722 CA GLU A 52 11.183 -0.968 -4.623 1.00 0.00 C ATOM 723 C GLU A 52 9.978 -0.307 -5.287 1.00 0.00 C ATOM 724 O GLU A 52 10.088 0.782 -5.852 1.00 0.00 O ATOM 725 CB GLU A 52 11.609 -2.199 -5.427 1.00 0.00 C ATOM 726 CG GLU A 52 13.041 -2.633 -5.161 1.00 0.00 C ATOM 727 CD GLU A 52 14.056 -1.586 -5.576 1.00 0.00 C ATOM 728 OE1 GLU A 52 13.738 -0.775 -6.472 1.00 0.00 O ATOM 729 OE2 GLU A 52 15.166 -1.576 -5.006 1.00 0.00 O ATOM 0 H GLU A 52 10.862 -2.347 -3.076 1.00 0.00 H new ATOM 0 HA GLU A 52 12.005 -0.252 -4.604 1.00 0.00 H new ATOM 0 HB2 GLU A 52 10.938 -3.026 -5.193 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.494 -1.986 -6.490 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.160 -2.848 -4.099 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.241 -3.560 -5.698 1.00 0.00 H new ATOM 734 N ILE A 53 8.831 -0.972 -5.213 1.00 0.00 N ATOM 735 CA ILE A 53 7.606 -0.448 -5.806 1.00 0.00 C ATOM 736 C ILE A 53 7.368 1.000 -5.390 1.00 0.00 C ATOM 737 O ILE A 53 6.881 1.812 -6.177 1.00 0.00 O ATOM 738 CB ILE A 53 6.382 -1.292 -5.405 1.00 0.00 C ATOM 739 CG1 ILE A 53 6.413 -2.647 -6.116 1.00 0.00 C ATOM 740 CG2 ILE A 53 5.095 -0.548 -5.731 1.00 0.00 C ATOM 741 CD1 ILE A 53 5.700 -3.744 -5.358 1.00 0.00 C ATOM 0 H ILE A 53 8.723 -1.874 -4.749 1.00 0.00 H new ATOM 0 HA ILE A 53 7.734 -0.496 -6.887 1.00 0.00 H new ATOM 0 HB ILE A 53 6.417 -1.466 -4.329 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.958 -2.542 -7.101 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.450 -2.941 -6.274 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.239 -1.158 -5.442 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.071 0.394 -5.184 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.052 -0.347 -6.801 1.00 0.00 H new ATOM 0 HD11 ILE A 53 5.762 -4.675 -5.921 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.169 -3.877 -4.383 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.653 -3.472 -5.222 1.00 0.00 H new ATOM 752 N THR A 54 7.719 1.318 -4.147 1.00 0.00 N ATOM 753 CA THR A 54 7.546 2.668 -3.626 1.00 0.00 C ATOM 754 C THR A 54 8.563 3.626 -4.233 1.00 0.00 C ATOM 755 O THR A 54 8.197 4.624 -4.854 1.00 0.00 O ATOM 756 CB THR A 54 7.679 2.699 -2.092 1.00 0.00 C ATOM 757 OG1 THR A 54 8.120 1.424 -1.613 1.00 0.00 O ATOM 758 CG2 THR A 54 6.353 3.062 -1.441 1.00 0.00 C ATOM 0 H THR A 54 8.125 0.658 -3.483 1.00 0.00 H new ATOM 0 HA THR A 54 6.541 2.987 -3.902 1.00 0.00 H new ATOM 0 HB THR A 54 8.414 3.459 -1.828 1.00 0.00 H new ATOM 0 HG1 THR A 54 9.051 1.277 -1.882 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.472 3.078 -0.358 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.036 4.046 -1.785 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.600 2.323 -1.713 1.00 0.00 H new ATOM 766 N GLU A 55 9.844 3.317 -4.052 1.00 0.00 N ATOM 767 CA GLU A 55 10.914 4.152 -4.582 1.00 0.00 C ATOM 768 C GLU A 55 10.702 4.431 -6.068 1.00 0.00 C ATOM 769 O GLU A 55 11.073 5.490 -6.570 1.00 0.00 O ATOM 770 CB GLU A 55 12.272 3.478 -4.368 1.00 0.00 C ATOM 771 CG GLU A 55 13.208 4.267 -3.470 1.00 0.00 C ATOM 772 CD GLU A 55 14.566 4.502 -4.103 1.00 0.00 C ATOM 773 OE1 GLU A 55 15.070 5.642 -4.019 1.00 0.00 O ATOM 774 OE2 GLU A 55 15.122 3.547 -4.683 1.00 0.00 O ATOM 0 H GLU A 55 10.165 2.494 -3.542 1.00 0.00 H new ATOM 0 HA GLU A 55 10.898 5.101 -4.045 1.00 0.00 H new ATOM 0 HB2 GLU A 55 12.114 2.490 -3.935 1.00 0.00 H new ATOM 0 HB3 GLU A 55 12.751 3.329 -5.336 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.752 5.228 -3.231 1.00 0.00 H new ATOM 0 HG3 GLU A 55 13.338 3.733 -2.529 1.00 0.00 H new ATOM 779 N ASN A 56 10.101 3.471 -6.764 1.00 0.00 N ATOM 780 CA ASN A 56 9.839 3.612 -8.191 1.00 0.00 C ATOM 781 C ASN A 56 8.508 4.315 -8.434 1.00 0.00 C ATOM 782 O ASN A 56 8.341 5.030 -9.424 1.00 0.00 O ATOM 783 CB ASN A 56 9.835 2.239 -8.869 1.00 0.00 C ATOM 784 CG ASN A 56 9.633 2.335 -10.368 1.00 0.00 C ATOM 785 OD1 ASN A 56 10.393 3.007 -11.066 1.00 0.00 O ATOM 786 ND2 ASN A 56 8.605 1.662 -10.871 1.00 0.00 N ATOM 0 H ASN A 56 9.787 2.588 -6.363 1.00 0.00 H new ATOM 0 HA ASN A 56 10.634 4.220 -8.622 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.778 1.733 -8.664 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.044 1.626 -8.437 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.419 1.689 -11.874 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.001 1.118 -10.255 1.00 0.00 H new ATOM 792 N LEU A 57 7.562 4.109 -7.524 1.00 0.00 N ATOM 793 CA LEU A 57 6.244 4.725 -7.637 1.00 0.00 C ATOM 794 C LEU A 57 6.345 6.245 -7.572 1.00 0.00 C ATOM 795 O LEU A 57 6.042 6.939 -8.541 1.00 0.00 O ATOM 796 CB LEU A 57 5.325 4.214 -6.526 1.00 0.00 C ATOM 797 CG LEU A 57 4.343 3.110 -6.921 1.00 0.00 C ATOM 798 CD1 LEU A 57 3.460 2.733 -5.742 1.00 0.00 C ATOM 799 CD2 LEU A 57 3.494 3.550 -8.106 1.00 0.00 C ATOM 0 H LEU A 57 7.683 3.520 -6.700 1.00 0.00 H new ATOM 0 HA LEU A 57 5.823 4.450 -8.604 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.946 3.845 -5.709 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.755 5.058 -6.137 1.00 0.00 H new ATOM 0 HG LEU A 57 4.915 2.230 -7.216 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.768 1.946 -6.043 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.082 2.375 -4.921 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.896 3.607 -5.416 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.801 2.752 -8.373 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.932 4.445 -7.838 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.141 3.769 -8.956 1.00 0.00 H new ATOM 810 N MET A 58 6.775 6.755 -6.423 1.00 0.00 N ATOM 811 CA MET A 58 6.919 8.193 -6.231 1.00 0.00 C ATOM 812 C MET A 58 7.980 8.762 -7.168 1.00 0.00 C ATOM 813 O MET A 58 8.087 9.976 -7.335 1.00 0.00 O ATOM 814 CB MET A 58 7.287 8.502 -4.778 1.00 0.00 C ATOM 815 CG MET A 58 8.300 7.535 -4.188 1.00 0.00 C ATOM 816 SD MET A 58 9.734 8.373 -3.489 1.00 0.00 S ATOM 817 CE MET A 58 9.825 7.599 -1.876 1.00 0.00 C ATOM 0 H MET A 58 7.030 6.194 -5.610 1.00 0.00 H new ATOM 0 HA MET A 58 5.963 8.663 -6.463 1.00 0.00 H new ATOM 0 HB2 MET A 58 7.687 9.514 -4.721 1.00 0.00 H new ATOM 0 HB3 MET A 58 6.382 8.482 -4.171 1.00 0.00 H new ATOM 0 HG2 MET A 58 7.819 6.939 -3.413 1.00 0.00 H new ATOM 0 HG3 MET A 58 8.630 6.843 -4.963 1.00 0.00 H new ATOM 0 HE1 MET A 58 10.860 7.589 -1.535 1.00 0.00 H new ATOM 0 HE2 MET A 58 9.216 8.161 -1.168 1.00 0.00 H new ATOM 0 HE3 MET A 58 9.454 6.576 -1.942 1.00 0.00 H new ATOM 825 N ALA A 59 8.762 7.877 -7.777 1.00 0.00 N ATOM 826 CA ALA A 59 9.813 8.290 -8.698 1.00 0.00 C ATOM 827 C ALA A 59 9.289 9.307 -9.708 1.00 0.00 C ATOM 828 O ALA A 59 10.050 10.105 -10.254 1.00 0.00 O ATOM 829 CB ALA A 59 10.392 7.081 -9.417 1.00 0.00 C ATOM 0 H ALA A 59 8.687 6.868 -7.649 1.00 0.00 H new ATOM 0 HA ALA A 59 10.603 8.766 -8.117 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.176 7.406 -10.101 1.00 0.00 H new ATOM 0 HB2 ALA A 59 10.812 6.390 -8.686 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.604 6.580 -9.979 1.00 0.00 H new ATOM 835 N THR A 60 7.982 9.271 -9.953 1.00 0.00 N ATOM 836 CA THR A 60 7.356 10.187 -10.899 1.00 0.00 C ATOM 837 C THR A 60 6.232 10.975 -10.238 1.00 0.00 C ATOM 838 O THR A 60 5.111 11.020 -10.745 1.00 0.00 O ATOM 839 CB THR A 60 6.793 9.436 -12.120 1.00 0.00 C ATOM 840 OG1 THR A 60 6.232 8.184 -11.709 1.00 0.00 O ATOM 841 CG2 THR A 60 7.881 9.194 -13.156 1.00 0.00 C ATOM 0 H THR A 60 7.337 8.617 -9.509 1.00 0.00 H new ATOM 0 HA THR A 60 8.132 10.876 -11.233 1.00 0.00 H new ATOM 0 HB THR A 60 6.015 10.052 -12.571 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.768 8.299 -10.853 1.00 0.00 H new ATOM 0 HG21 THR A 60 7.459 8.662 -14.009 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.286 10.150 -13.488 1.00 0.00 H new ATOM 0 HG23 THR A 60 8.678 8.596 -12.714 1.00 0.00 H new ATOM 849 N GLY A 61 6.537 11.596 -9.103 1.00 0.00 N ATOM 850 CA GLY A 61 5.541 12.375 -8.391 1.00 0.00 C ATOM 851 C GLY A 61 4.251 11.609 -8.177 1.00 0.00 C ATOM 852 O GLY A 61 3.166 12.113 -8.468 1.00 0.00 O ATOM 0 H GLY A 61 7.457 11.573 -8.663 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.944 12.679 -7.425 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.330 13.287 -8.949 1.00 0.00 H new ATOM 856 N ASP A 62 4.367 10.387 -7.669 1.00 0.00 N ATOM 857 CA ASP A 62 3.200 9.549 -7.417 1.00 0.00 C ATOM 858 C ASP A 62 2.762 9.653 -5.959 1.00 0.00 C ATOM 859 O ASP A 62 1.601 9.943 -5.668 1.00 0.00 O ATOM 860 CB ASP A 62 3.507 8.092 -7.767 1.00 0.00 C ATOM 861 CG ASP A 62 3.508 7.845 -9.263 1.00 0.00 C ATOM 862 OD1 ASP A 62 2.741 6.972 -9.721 1.00 0.00 O ATOM 863 OD2 ASP A 62 4.275 8.525 -9.976 1.00 0.00 O ATOM 0 H ASP A 62 5.257 9.954 -7.423 1.00 0.00 H new ATOM 0 HA ASP A 62 2.385 9.903 -8.049 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.479 7.819 -7.356 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.768 7.444 -7.295 1.00 0.00 H new ATOM 867 N LEU A 63 3.697 9.413 -5.047 1.00 0.00 N ATOM 868 CA LEU A 63 3.407 9.478 -3.619 1.00 0.00 C ATOM 869 C LEU A 63 3.812 10.830 -3.042 1.00 0.00 C ATOM 870 O LEU A 63 3.480 11.155 -1.902 1.00 0.00 O ATOM 871 CB LEU A 63 4.137 8.356 -2.878 1.00 0.00 C ATOM 872 CG LEU A 63 3.850 6.934 -3.363 1.00 0.00 C ATOM 873 CD1 LEU A 63 3.482 6.938 -4.838 1.00 0.00 C ATOM 874 CD2 LEU A 63 5.050 6.032 -3.113 1.00 0.00 C ATOM 0 H LEU A 63 4.662 9.172 -5.271 1.00 0.00 H new ATOM 0 HA LEU A 63 2.332 9.354 -3.486 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.209 8.535 -2.954 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.878 8.417 -1.821 1.00 0.00 H new ATOM 0 HG LEU A 63 3.003 6.542 -2.799 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.281 5.918 -5.166 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.592 7.550 -4.989 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.308 7.349 -5.418 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.827 5.025 -3.464 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.915 6.421 -3.650 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.268 6.004 -2.045 1.00 0.00 H new ATOM 885 N ASP A 64 4.530 11.616 -3.838 1.00 0.00 N ATOM 886 CA ASP A 64 4.979 12.935 -3.407 1.00 0.00 C ATOM 887 C ASP A 64 3.835 13.943 -3.468 1.00 0.00 C ATOM 888 O ASP A 64 3.876 14.981 -2.807 1.00 0.00 O ATOM 889 CB ASP A 64 6.142 13.411 -4.279 1.00 0.00 C ATOM 890 CG ASP A 64 7.119 14.284 -3.515 1.00 0.00 C ATOM 891 OD1 ASP A 64 8.047 13.729 -2.888 1.00 0.00 O ATOM 892 OD2 ASP A 64 6.957 15.521 -3.544 1.00 0.00 O ATOM 0 H ASP A 64 4.813 11.362 -4.785 1.00 0.00 H new ATOM 0 HA ASP A 64 5.318 12.858 -2.374 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.669 12.546 -4.680 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.750 13.968 -5.130 1.00 0.00 H new ATOM 896 N GLN A 65 2.820 13.632 -4.266 1.00 0.00 N ATOM 897 CA GLN A 65 1.667 14.512 -4.414 1.00 0.00 C ATOM 898 C GLN A 65 1.124 14.930 -3.052 1.00 0.00 C ATOM 899 O GLN A 65 0.704 16.073 -2.864 1.00 0.00 O ATOM 900 CB GLN A 65 0.569 13.819 -5.224 1.00 0.00 C ATOM 901 CG GLN A 65 -0.236 12.812 -4.419 1.00 0.00 C ATOM 902 CD GLN A 65 -1.369 12.200 -5.217 1.00 0.00 C ATOM 903 OE1 GLN A 65 -1.220 11.904 -6.404 1.00 0.00 O ATOM 904 NE2 GLN A 65 -2.512 12.005 -4.570 1.00 0.00 N ATOM 0 H GLN A 65 2.772 12.777 -4.820 1.00 0.00 H new ATOM 0 HA GLN A 65 1.990 15.407 -4.946 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -0.107 14.574 -5.625 1.00 0.00 H new ATOM 0 HB3 GLN A 65 1.022 13.312 -6.076 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.426 12.020 -4.069 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -0.643 13.302 -3.534 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.592 12.265 -3.587 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.310 11.596 -5.056 1.00 0.00 H new ATOM 911 N ASP A 66 1.133 13.998 -2.105 1.00 0.00 N ATOM 912 CA ASP A 66 0.641 14.271 -0.759 1.00 0.00 C ATOM 913 C ASP A 66 1.688 13.897 0.287 1.00 0.00 C ATOM 914 O ASP A 66 1.583 14.286 1.449 1.00 0.00 O ATOM 915 CB ASP A 66 -0.653 13.499 -0.500 1.00 0.00 C ATOM 916 CG ASP A 66 -0.406 12.155 0.153 1.00 0.00 C ATOM 917 OD1 ASP A 66 0.418 11.380 -0.377 1.00 0.00 O ATOM 918 OD2 ASP A 66 -1.036 11.876 1.195 1.00 0.00 O ATOM 0 H ASP A 66 1.475 13.047 -2.244 1.00 0.00 H new ATOM 0 HA ASP A 66 0.439 15.339 -0.681 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.306 14.095 0.138 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.178 13.350 -1.443 1.00 0.00 H new ATOM 922 N GLY A 67 2.695 13.141 -0.135 1.00 0.00 N ATOM 923 CA GLY A 67 3.746 12.728 0.778 1.00 0.00 C ATOM 924 C GLY A 67 3.465 11.378 1.411 1.00 0.00 C ATOM 925 O GLY A 67 4.380 10.582 1.619 1.00 0.00 O ATOM 0 H GLY A 67 2.803 12.806 -1.092 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.694 12.684 0.241 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.858 13.477 1.562 1.00 0.00 H new ATOM 929 N ARG A 68 2.197 11.123 1.719 1.00 0.00 N ATOM 930 CA ARG A 68 1.800 9.863 2.335 1.00 0.00 C ATOM 931 C ARG A 68 1.311 8.873 1.281 1.00 0.00 C ATOM 932 O ARG A 68 1.481 9.095 0.082 1.00 0.00 O ATOM 933 CB ARG A 68 0.703 10.102 3.375 1.00 0.00 C ATOM 934 CG ARG A 68 1.074 11.137 4.423 1.00 0.00 C ATOM 935 CD ARG A 68 0.725 12.545 3.965 1.00 0.00 C ATOM 936 NE ARG A 68 1.873 13.444 4.037 1.00 0.00 N ATOM 937 CZ ARG A 68 2.399 13.873 5.180 1.00 0.00 C ATOM 938 NH1 ARG A 68 1.884 13.486 6.338 1.00 0.00 N ATOM 939 NH2 ARG A 68 3.445 14.690 5.163 1.00 0.00 N ATOM 0 H ARG A 68 1.428 11.772 1.552 1.00 0.00 H new ATOM 0 HA ARG A 68 2.673 9.438 2.830 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.206 10.423 2.865 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.474 9.160 3.872 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.552 10.916 5.354 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.142 11.076 4.634 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.354 12.512 2.940 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.082 12.938 4.583 1.00 0.00 H new ATOM 0 HE ARG A 68 2.294 13.760 3.163 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.081 12.857 6.354 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.290 13.817 7.213 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.845 14.988 4.273 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.849 15.020 6.040 1.00 0.00 H new ATOM 950 N ILE A 69 0.703 7.785 1.738 1.00 0.00 N ATOM 951 CA ILE A 69 0.188 6.762 0.835 1.00 0.00 C ATOM 952 C ILE A 69 -1.186 6.275 1.282 1.00 0.00 C ATOM 953 O ILE A 69 -1.325 5.666 2.342 1.00 0.00 O ATOM 954 CB ILE A 69 1.143 5.557 0.746 1.00 0.00 C ATOM 955 CG1 ILE A 69 2.543 6.018 0.331 1.00 0.00 C ATOM 956 CG2 ILE A 69 0.606 4.527 -0.237 1.00 0.00 C ATOM 957 CD1 ILE A 69 3.643 5.077 0.769 1.00 0.00 C ATOM 0 H ILE A 69 0.554 7.588 2.728 1.00 0.00 H new ATOM 0 HA ILE A 69 0.105 7.223 -0.149 1.00 0.00 H new ATOM 0 HB ILE A 69 1.210 5.092 1.729 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.576 6.123 -0.753 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.731 7.005 0.752 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.292 3.681 -0.289 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.372 4.181 0.097 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.513 4.980 -1.224 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.607 5.466 0.441 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.637 4.991 1.856 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.479 4.094 0.326 1.00 0.00 H new ATOM 968 N SER A 70 -2.198 6.546 0.464 1.00 0.00 N ATOM 969 CA SER A 70 -3.563 6.138 0.776 1.00 0.00 C ATOM 970 C SER A 70 -3.756 4.646 0.516 1.00 0.00 C ATOM 971 O SER A 70 -3.013 4.037 -0.253 1.00 0.00 O ATOM 972 CB SER A 70 -4.562 6.945 -0.055 1.00 0.00 C ATOM 973 OG SER A 70 -5.111 6.159 -1.099 1.00 0.00 O ATOM 0 H SER A 70 -2.099 7.046 -0.419 1.00 0.00 H new ATOM 0 HA SER A 70 -3.741 6.332 1.834 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.362 7.311 0.588 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.066 7.820 -0.476 1.00 0.00 H new ATOM 0 HG SER A 70 -5.338 6.736 -1.858 1.00 0.00 H new ATOM 978 N PHE A 71 -4.760 4.065 1.164 1.00 0.00 N ATOM 979 CA PHE A 71 -5.051 2.644 1.005 1.00 0.00 C ATOM 980 C PHE A 71 -5.126 2.267 -0.471 1.00 0.00 C ATOM 981 O PHE A 71 -4.697 1.183 -0.868 1.00 0.00 O ATOM 982 CB PHE A 71 -6.368 2.292 1.701 1.00 0.00 C ATOM 983 CG PHE A 71 -6.603 0.814 1.822 1.00 0.00 C ATOM 984 CD1 PHE A 71 -5.553 -0.050 2.085 1.00 0.00 C ATOM 985 CD2 PHE A 71 -7.877 0.287 1.673 1.00 0.00 C ATOM 986 CE1 PHE A 71 -5.766 -1.411 2.198 1.00 0.00 C ATOM 987 CE2 PHE A 71 -8.098 -1.072 1.785 1.00 0.00 C ATOM 988 CZ PHE A 71 -7.040 -1.923 2.047 1.00 0.00 C ATOM 0 H PHE A 71 -5.385 4.555 1.804 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.241 2.078 1.466 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.374 2.736 2.697 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -7.194 2.739 1.148 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -4.555 0.345 2.203 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -8.707 0.947 1.467 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -4.938 -2.073 2.404 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -9.095 -1.469 1.668 1.00 0.00 H new ATOM 0 HZ PHE A 71 -7.209 -2.986 2.133 1.00 0.00 H new ATOM 997 N ASP A 72 -5.675 3.167 -1.279 1.00 0.00 N ATOM 998 CA ASP A 72 -5.805 2.930 -2.713 1.00 0.00 C ATOM 999 C ASP A 72 -4.467 2.526 -3.321 1.00 0.00 C ATOM 1000 O ASP A 72 -4.353 1.475 -3.951 1.00 0.00 O ATOM 1001 CB ASP A 72 -6.341 4.181 -3.411 1.00 0.00 C ATOM 1002 CG ASP A 72 -6.300 4.062 -4.922 1.00 0.00 C ATOM 1003 OD1 ASP A 72 -6.306 2.920 -5.428 1.00 0.00 O ATOM 1004 OD2 ASP A 72 -6.262 5.111 -5.598 1.00 0.00 O ATOM 0 H ASP A 72 -6.037 4.068 -0.966 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.510 2.112 -2.859 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -7.367 4.361 -3.091 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -5.755 5.046 -3.101 1.00 0.00 H new ATOM 1008 N GLU A 73 -3.456 3.367 -3.128 1.00 0.00 N ATOM 1009 CA GLU A 73 -2.126 3.097 -3.660 1.00 0.00 C ATOM 1010 C GLU A 73 -1.647 1.708 -3.248 1.00 0.00 C ATOM 1011 O GLU A 73 -1.201 0.920 -4.083 1.00 0.00 O ATOM 1012 CB GLU A 73 -1.133 4.156 -3.174 1.00 0.00 C ATOM 1013 CG GLU A 73 -0.811 5.212 -4.218 1.00 0.00 C ATOM 1014 CD GLU A 73 -1.760 6.395 -4.162 1.00 0.00 C ATOM 1015 OE1 GLU A 73 -2.077 6.849 -3.043 1.00 0.00 O ATOM 1016 OE2 GLU A 73 -2.185 6.866 -5.239 1.00 0.00 O ATOM 0 H GLU A 73 -3.533 4.241 -2.607 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.183 3.135 -4.748 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.540 4.644 -2.289 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.209 3.664 -2.870 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.211 5.563 -4.072 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.855 4.762 -5.210 1.00 0.00 H new ATOM 1021 N PHE A 74 -1.741 1.416 -1.956 1.00 0.00 N ATOM 1022 CA PHE A 74 -1.316 0.124 -1.431 1.00 0.00 C ATOM 1023 C PHE A 74 -1.957 -1.019 -2.214 1.00 0.00 C ATOM 1024 O PHE A 74 -1.278 -1.958 -2.629 1.00 0.00 O ATOM 1025 CB PHE A 74 -1.677 0.006 0.050 1.00 0.00 C ATOM 1026 CG PHE A 74 -1.558 -1.391 0.589 1.00 0.00 C ATOM 1027 CD1 PHE A 74 -2.549 -2.328 0.344 1.00 0.00 C ATOM 1028 CD2 PHE A 74 -0.456 -1.768 1.339 1.00 0.00 C ATOM 1029 CE1 PHE A 74 -2.443 -3.616 0.836 1.00 0.00 C ATOM 1030 CE2 PHE A 74 -0.344 -3.053 1.834 1.00 0.00 C ATOM 1031 CZ PHE A 74 -1.339 -3.978 1.584 1.00 0.00 C ATOM 0 H PHE A 74 -2.108 2.057 -1.252 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.234 0.055 -1.540 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.029 0.665 0.627 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.699 0.357 0.195 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.415 -2.049 -0.238 1.00 0.00 H new ATOM 0 HD2 PHE A 74 0.325 -1.049 1.539 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -3.221 -4.337 0.636 1.00 0.00 H new ATOM 0 HE2 PHE A 74 0.521 -3.334 2.416 1.00 0.00 H new ATOM 0 HZ PHE A 74 -1.254 -4.982 1.972 1.00 0.00 H new ATOM 1040 N ILE A 75 -3.268 -0.930 -2.411 1.00 0.00 N ATOM 1041 CA ILE A 75 -4.001 -1.954 -3.145 1.00 0.00 C ATOM 1042 C ILE A 75 -3.417 -2.157 -4.539 1.00 0.00 C ATOM 1043 O ILE A 75 -3.026 -3.265 -4.905 1.00 0.00 O ATOM 1044 CB ILE A 75 -5.494 -1.597 -3.272 1.00 0.00 C ATOM 1045 CG1 ILE A 75 -6.163 -1.608 -1.896 1.00 0.00 C ATOM 1046 CG2 ILE A 75 -6.192 -2.564 -4.216 1.00 0.00 C ATOM 1047 CD1 ILE A 75 -6.179 -2.973 -1.244 1.00 0.00 C ATOM 0 H ILE A 75 -3.844 -0.159 -2.073 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.905 -2.879 -2.576 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.578 -0.592 -3.687 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.643 -0.908 -1.242 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.188 -1.250 -1.996 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.246 -2.298 -4.295 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -5.729 -2.509 -5.201 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.102 -3.579 -3.829 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.668 -2.906 -0.272 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.725 -3.672 -1.877 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.156 -3.325 -1.112 1.00 0.00 H new ATOM 1058 N LYS A 76 -3.359 -1.078 -5.312 1.00 0.00 N ATOM 1059 CA LYS A 76 -2.819 -1.134 -6.665 1.00 0.00 C ATOM 1060 C LYS A 76 -1.463 -1.830 -6.682 1.00 0.00 C ATOM 1061 O LYS A 76 -1.147 -2.573 -7.613 1.00 0.00 O ATOM 1062 CB LYS A 76 -2.687 0.277 -7.243 1.00 0.00 C ATOM 1063 CG LYS A 76 -2.702 0.317 -8.761 1.00 0.00 C ATOM 1064 CD LYS A 76 -2.812 1.740 -9.281 1.00 0.00 C ATOM 1065 CE LYS A 76 -3.314 1.773 -10.716 1.00 0.00 C ATOM 1066 NZ LYS A 76 -4.773 1.488 -10.799 1.00 0.00 N ATOM 0 H LYS A 76 -3.680 -0.153 -5.024 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.510 -1.709 -7.281 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -3.502 0.893 -6.864 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.758 0.721 -6.885 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.792 -0.143 -9.147 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.540 -0.273 -9.133 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.489 2.309 -8.645 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.838 2.225 -9.224 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -3.110 2.752 -11.150 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.766 1.041 -11.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -4.941 0.739 -11.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -5.119 1.175 -9.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -5.279 2.350 -11.085 1.00 0.00 H new ATOM 1076 N ILE A 77 -0.665 -1.588 -5.647 1.00 0.00 N ATOM 1077 CA ILE A 77 0.656 -2.195 -5.542 1.00 0.00 C ATOM 1078 C ILE A 77 0.554 -3.683 -5.228 1.00 0.00 C ATOM 1079 O ILE A 77 1.360 -4.485 -5.701 1.00 0.00 O ATOM 1080 CB ILE A 77 1.506 -1.509 -4.456 1.00 0.00 C ATOM 1081 CG1 ILE A 77 1.744 -0.041 -4.815 1.00 0.00 C ATOM 1082 CG2 ILE A 77 2.829 -2.238 -4.280 1.00 0.00 C ATOM 1083 CD1 ILE A 77 2.035 0.835 -3.617 1.00 0.00 C ATOM 0 H ILE A 77 -0.911 -0.976 -4.869 1.00 0.00 H new ATOM 0 HA ILE A 77 1.142 -2.063 -6.509 1.00 0.00 H new ATOM 0 HB ILE A 77 0.963 -1.549 -3.512 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.579 0.023 -5.513 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.866 0.345 -5.332 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.418 -1.741 -3.509 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.639 -3.270 -3.983 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.379 -2.226 -5.221 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.193 1.862 -3.947 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.191 0.801 -2.928 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.931 0.474 -3.112 1.00 0.00 H new ATOM 1094 N PHE A 78 -0.442 -4.047 -4.428 1.00 0.00 N ATOM 1095 CA PHE A 78 -0.651 -5.439 -4.050 1.00 0.00 C ATOM 1096 C PHE A 78 -1.060 -6.275 -5.259 1.00 0.00 C ATOM 1097 O PHE A 78 -0.642 -7.425 -5.404 1.00 0.00 O ATOM 1098 CB PHE A 78 -1.720 -5.541 -2.961 1.00 0.00 C ATOM 1099 CG PHE A 78 -2.046 -6.954 -2.569 1.00 0.00 C ATOM 1100 CD1 PHE A 78 -3.129 -7.611 -3.131 1.00 0.00 C ATOM 1101 CD2 PHE A 78 -1.270 -7.624 -1.637 1.00 0.00 C ATOM 1102 CE1 PHE A 78 -3.430 -8.911 -2.772 1.00 0.00 C ATOM 1103 CE2 PHE A 78 -1.566 -8.924 -1.275 1.00 0.00 C ATOM 1104 CZ PHE A 78 -2.648 -9.568 -1.843 1.00 0.00 C ATOM 0 H PHE A 78 -1.118 -3.396 -4.028 1.00 0.00 H new ATOM 0 HA PHE A 78 0.290 -5.828 -3.662 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.382 -4.997 -2.079 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.629 -5.050 -3.309 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -3.745 -7.101 -3.858 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.424 -7.124 -1.188 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -4.276 -9.413 -3.218 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.952 -9.436 -0.549 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.882 -10.584 -1.561 1.00 0.00 H new ATOM 1113 N HIS A 79 -1.881 -5.690 -6.125 1.00 0.00 N ATOM 1114 CA HIS A 79 -2.348 -6.380 -7.322 1.00 0.00 C ATOM 1115 C HIS A 79 -1.289 -6.341 -8.420 1.00 0.00 C ATOM 1116 O HIS A 79 -1.150 -7.284 -9.197 1.00 0.00 O ATOM 1117 CB HIS A 79 -3.646 -5.748 -7.827 1.00 0.00 C ATOM 1118 CG HIS A 79 -4.841 -6.638 -7.681 1.00 0.00 C ATOM 1119 ND1 HIS A 79 -5.621 -7.034 -8.748 1.00 0.00 N ATOM 1120 CD2 HIS A 79 -5.389 -7.212 -6.585 1.00 0.00 C ATOM 1121 CE1 HIS A 79 -6.597 -7.810 -8.314 1.00 0.00 C ATOM 1122 NE2 HIS A 79 -6.479 -7.934 -7.004 1.00 0.00 N ATOM 0 H HIS A 79 -2.237 -4.740 -6.020 1.00 0.00 H new ATOM 0 HA HIS A 79 -2.537 -7.421 -7.061 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -3.825 -4.821 -7.283 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -3.527 -5.483 -8.878 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -5.035 -7.119 -5.569 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -7.362 -8.266 -8.926 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -7.097 -8.478 -6.402 1.00 0.00 H new ATOM 1129 N GLY A 80 -0.543 -5.241 -8.478 1.00 0.00 N ATOM 1130 CA GLY A 80 0.492 -5.099 -9.483 1.00 0.00 C ATOM 1131 C GLY A 80 -0.037 -4.534 -10.786 1.00 0.00 C ATOM 1132 O GLY A 80 0.437 -3.503 -11.263 1.00 0.00 O ATOM 0 H GLY A 80 -0.638 -4.446 -7.846 1.00 0.00 H new ATOM 0 HA2 GLY A 80 1.278 -4.447 -9.101 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.947 -6.071 -9.671 1.00 0.00 H new ATOM 1136 N LEU A 81 -1.023 -5.212 -11.365 1.00 0.00 N ATOM 1137 CA LEU A 81 -1.617 -4.772 -12.623 1.00 0.00 C ATOM 1138 C LEU A 81 -2.040 -3.309 -12.543 1.00 0.00 C ATOM 1139 O LEU A 81 -3.066 -2.979 -11.948 1.00 0.00 O ATOM 1140 CB LEU A 81 -2.824 -5.645 -12.972 1.00 0.00 C ATOM 1141 CG LEU A 81 -2.571 -7.152 -13.018 1.00 0.00 C ATOM 1142 CD1 LEU A 81 -1.122 -7.440 -13.381 1.00 0.00 C ATOM 1143 CD2 LEU A 81 -2.926 -7.794 -11.685 1.00 0.00 C ATOM 0 H LEU A 81 -1.427 -6.067 -10.984 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.865 -4.871 -13.406 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.611 -5.451 -12.243 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.206 -5.331 -13.944 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.210 -7.584 -13.788 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.961 -8.518 -13.409 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.901 -7.015 -14.360 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.464 -6.994 -12.635 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.739 -8.867 -11.737 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.314 -7.357 -10.896 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.979 -7.619 -11.466 1.00 0.00 H new ATOM 1154 N LYS A 82 -1.244 -2.435 -13.150 1.00 0.00 N ATOM 1155 CA LYS A 82 -1.536 -1.007 -13.152 1.00 0.00 C ATOM 1156 C LYS A 82 -2.916 -0.735 -13.744 1.00 0.00 C ATOM 1157 O LYS A 82 -3.893 -0.567 -13.014 1.00 0.00 O ATOM 1158 CB LYS A 82 -0.470 -0.248 -13.945 1.00 0.00 C ATOM 1159 CG LYS A 82 0.947 -0.514 -13.467 1.00 0.00 C ATOM 1160 CD LYS A 82 1.203 0.108 -12.104 1.00 0.00 C ATOM 1161 CE LYS A 82 2.641 0.581 -11.968 1.00 0.00 C ATOM 1162 NZ LYS A 82 3.614 -0.492 -12.314 1.00 0.00 N ATOM 0 H LYS A 82 -0.391 -2.691 -13.647 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.528 -0.658 -12.119 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -0.547 -0.523 -14.997 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -0.672 0.821 -13.879 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.118 -1.589 -13.415 1.00 0.00 H new ATOM 0 HG3 LYS A 82 1.657 -0.113 -14.190 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.527 0.949 -11.954 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.983 -0.620 -11.324 1.00 0.00 H new ATOM 0 HE2 LYS A 82 2.803 1.441 -12.618 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.818 0.916 -10.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.568 -0.204 -12.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.350 -1.371 -11.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.604 -0.652 -13.342 1.00 0.00 H new TER 1172 LYS A 82