USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=15 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 35 ASN : amide:sc= -0.383 K(o=-1,f=-9.3!) USER MOD Set 1.2: A 39 LYS NZ :NH3+ -173:sc= -0.626 (180deg=-0.922) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 170:sc= 0 (180deg=-0.181) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot -36:sc= 1.02 USER MOD Single : A 26 ASN :FLIP amide:sc= -0.279 F(o=-1.7,f=-0.28) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= -0.357 USER MOD Single : A 32 ASN : amide:sc= -0.0545 X(o=-0.054,f=-0.14) USER MOD Single : A 42 CYS SG : rot 180:sc=-0.00491 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0126 USER MOD Single : A 54 THR OG1 : rot 69:sc= 0.0806 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 MET CE :methyl -158:sc= -0.71 (180deg=-2.62!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.00607 USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 70 SER OG : rot -58:sc= 0.131! USER MOD Single : A 76 LYS NZ :NH3+ -148:sc= 0.172 (180deg=0.00369) USER MOD Single : A 79 HIS : no HD1:sc= -0.0357 X(o=-0.036,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.197 4.146 -2.096 1.00 0.00 N ATOM 2 CA MET A 1 -11.160 4.414 -3.086 1.00 0.00 C ATOM 3 C MET A 1 -10.194 3.238 -3.194 1.00 0.00 C ATOM 4 O MET A 1 -9.408 2.982 -2.282 1.00 0.00 O ATOM 5 CB MET A 1 -10.393 5.686 -2.721 1.00 0.00 C ATOM 6 CG MET A 1 -9.901 6.467 -3.929 1.00 0.00 C ATOM 7 SD MET A 1 -9.601 8.205 -3.557 1.00 0.00 S ATOM 8 CE MET A 1 -8.007 8.109 -2.748 1.00 0.00 C ATOM 0 H1 MET A 1 -12.842 4.960 -2.040 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.732 3.299 -2.374 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.757 3.988 -1.167 1.00 0.00 H new ATOM 0 HA MET A 1 -11.644 4.554 -4.053 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.037 6.329 -2.121 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.539 5.419 -2.099 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.981 6.015 -4.299 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.637 6.393 -4.729 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.686 9.109 -2.457 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.087 7.481 -1.861 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.277 7.678 -3.433 1.00 0.00 H new ATOM 16 N ALA A 2 -10.260 2.525 -4.314 1.00 0.00 N ATOM 17 CA ALA A 2 -9.389 1.377 -4.541 1.00 0.00 C ATOM 18 C ALA A 2 -9.202 1.117 -6.032 1.00 0.00 C ATOM 19 O ALA A 2 -10.124 1.307 -6.825 1.00 0.00 O ATOM 20 CB ALA A 2 -9.955 0.142 -3.854 1.00 0.00 C ATOM 0 H ALA A 2 -10.907 2.722 -5.078 1.00 0.00 H new ATOM 0 HA ALA A 2 -8.412 1.602 -4.113 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -9.295 -0.707 -4.031 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -10.031 0.325 -2.782 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -10.944 -0.077 -4.256 1.00 0.00 H new ATOM 26 N ARG A 3 -8.004 0.683 -6.405 1.00 0.00 N ATOM 27 CA ARG A 3 -7.695 0.398 -7.801 1.00 0.00 C ATOM 28 C ARG A 3 -7.561 -1.104 -8.034 1.00 0.00 C ATOM 29 O ARG A 3 -8.321 -1.694 -8.800 1.00 0.00 O ATOM 30 CB ARG A 3 -6.404 1.106 -8.215 1.00 0.00 C ATOM 31 CG ARG A 3 -6.593 2.580 -8.537 1.00 0.00 C ATOM 32 CD ARG A 3 -7.253 2.774 -9.893 1.00 0.00 C ATOM 33 NE ARG A 3 -8.689 3.015 -9.772 1.00 0.00 N ATOM 34 CZ ARG A 3 -9.503 3.135 -10.815 1.00 0.00 C ATOM 35 NH1 ARG A 3 -9.026 3.040 -12.048 1.00 0.00 N ATOM 36 NH2 ARG A 3 -10.798 3.353 -10.624 1.00 0.00 N ATOM 0 H ARG A 3 -7.231 0.521 -5.760 1.00 0.00 H new ATOM 0 HA ARG A 3 -8.518 0.770 -8.411 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -5.673 1.009 -7.412 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.988 0.603 -9.088 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -7.203 3.047 -7.764 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -5.626 3.083 -8.527 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -6.786 3.614 -10.407 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -7.084 1.890 -10.508 1.00 0.00 H new ATOM 0 HE ARG A 3 -9.088 3.095 -8.837 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -8.031 2.874 -12.198 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -9.654 3.133 -12.846 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -11.168 3.428 -9.677 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -11.423 3.445 -11.425 1.00 0.00 H new ATOM 47 N GLY A 4 -6.588 -1.716 -7.366 1.00 0.00 N ATOM 48 CA GLY A 4 -6.371 -3.144 -7.514 1.00 0.00 C ATOM 49 C GLY A 4 -7.632 -3.949 -7.273 1.00 0.00 C ATOM 50 O GLY A 4 -7.782 -5.053 -7.797 1.00 0.00 O ATOM 0 H GLY A 4 -5.946 -1.249 -6.725 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.998 -3.350 -8.517 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.599 -3.466 -6.815 1.00 0.00 H new ATOM 54 N SER A 5 -8.541 -3.399 -6.474 1.00 0.00 N ATOM 55 CA SER A 5 -9.793 -4.076 -6.160 1.00 0.00 C ATOM 56 C SER A 5 -9.534 -5.497 -5.668 1.00 0.00 C ATOM 57 O SER A 5 -10.103 -6.458 -6.185 1.00 0.00 O ATOM 58 CB SER A 5 -10.704 -4.107 -7.389 1.00 0.00 C ATOM 59 OG SER A 5 -12.069 -4.071 -7.013 1.00 0.00 O ATOM 0 H SER A 5 -8.433 -2.486 -6.032 1.00 0.00 H new ATOM 0 HA SER A 5 -10.288 -3.519 -5.364 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.479 -3.258 -8.034 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.507 -5.009 -7.969 1.00 0.00 H new ATOM 0 HG SER A 5 -12.630 -4.090 -7.816 1.00 0.00 H new ATOM 64 N VAL A 6 -8.670 -5.621 -4.667 1.00 0.00 N ATOM 65 CA VAL A 6 -8.335 -6.923 -4.103 1.00 0.00 C ATOM 66 C VAL A 6 -9.592 -7.709 -3.746 1.00 0.00 C ATOM 67 O VAL A 6 -10.635 -7.127 -3.449 1.00 0.00 O ATOM 68 CB VAL A 6 -7.457 -6.782 -2.845 1.00 0.00 C ATOM 69 CG1 VAL A 6 -6.025 -6.441 -3.228 1.00 0.00 C ATOM 70 CG2 VAL A 6 -8.033 -5.728 -1.910 1.00 0.00 C ATOM 0 H VAL A 6 -8.189 -4.835 -4.229 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.777 -7.463 -4.868 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.449 -7.737 -2.319 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.420 -6.345 -2.326 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.618 -7.233 -3.856 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.010 -5.499 -3.777 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.401 -5.641 -1.026 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.072 -4.768 -2.424 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.039 -6.020 -1.609 1.00 0.00 H new ATOM 80 N SER A 7 -9.484 -9.033 -3.779 1.00 0.00 N ATOM 81 CA SER A 7 -10.614 -9.898 -3.461 1.00 0.00 C ATOM 82 C SER A 7 -11.173 -9.578 -2.078 1.00 0.00 C ATOM 83 O SER A 7 -10.525 -8.908 -1.274 1.00 0.00 O ATOM 84 CB SER A 7 -10.192 -11.368 -3.526 1.00 0.00 C ATOM 85 OG SER A 7 -10.706 -11.995 -4.688 1.00 0.00 O ATOM 0 H SER A 7 -8.627 -9.530 -4.022 1.00 0.00 H new ATOM 0 HA SER A 7 -11.396 -9.718 -4.199 1.00 0.00 H new ATOM 0 HB2 SER A 7 -9.104 -11.438 -3.522 1.00 0.00 H new ATOM 0 HB3 SER A 7 -10.548 -11.891 -2.639 1.00 0.00 H new ATOM 0 HG SER A 7 -10.421 -12.932 -4.707 1.00 0.00 H new ATOM 90 N ASP A 8 -12.380 -10.063 -1.809 1.00 0.00 N ATOM 91 CA ASP A 8 -13.028 -9.830 -0.522 1.00 0.00 C ATOM 92 C ASP A 8 -12.112 -10.239 0.628 1.00 0.00 C ATOM 93 O ASP A 8 -11.923 -9.483 1.581 1.00 0.00 O ATOM 94 CB ASP A 8 -14.344 -10.605 -0.442 1.00 0.00 C ATOM 95 CG ASP A 8 -15.549 -9.729 -0.725 1.00 0.00 C ATOM 96 OD1 ASP A 8 -15.721 -9.315 -1.891 1.00 0.00 O ATOM 97 OD2 ASP A 8 -16.320 -9.458 0.219 1.00 0.00 O ATOM 0 H ASP A 8 -12.930 -10.619 -2.464 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.238 -8.764 -0.435 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.321 -11.429 -1.156 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.443 -11.045 0.550 1.00 0.00 H new ATOM 101 N GLU A 9 -11.549 -11.439 0.532 1.00 0.00 N ATOM 102 CA GLU A 9 -10.656 -11.947 1.566 1.00 0.00 C ATOM 103 C GLU A 9 -9.564 -10.932 1.890 1.00 0.00 C ATOM 104 O GLU A 9 -9.450 -10.469 3.024 1.00 0.00 O ATOM 105 CB GLU A 9 -10.024 -13.268 1.122 1.00 0.00 C ATOM 106 CG GLU A 9 -10.078 -14.356 2.181 1.00 0.00 C ATOM 107 CD GLU A 9 -8.718 -14.654 2.782 1.00 0.00 C ATOM 108 OE1 GLU A 9 -8.551 -14.441 4.001 1.00 0.00 O ATOM 109 OE2 GLU A 9 -7.824 -15.099 2.034 1.00 0.00 O ATOM 0 H GLU A 9 -11.695 -12.077 -0.250 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.246 -12.119 2.466 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.533 -13.621 0.225 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.984 -13.090 0.849 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.762 -14.053 2.973 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.484 -15.267 1.740 1.00 0.00 H new ATOM 114 N GLU A 10 -8.764 -10.591 0.884 1.00 0.00 N ATOM 115 CA GLU A 10 -7.681 -9.631 1.061 1.00 0.00 C ATOM 116 C GLU A 10 -8.225 -8.269 1.482 1.00 0.00 C ATOM 117 O GLU A 10 -7.873 -7.748 2.540 1.00 0.00 O ATOM 118 CB GLU A 10 -6.874 -9.494 -0.231 1.00 0.00 C ATOM 119 CG GLU A 10 -5.408 -9.860 -0.075 1.00 0.00 C ATOM 120 CD GLU A 10 -5.053 -11.159 -0.773 1.00 0.00 C ATOM 121 OE1 GLU A 10 -4.235 -11.925 -0.221 1.00 0.00 O ATOM 122 OE2 GLU A 10 -5.592 -11.409 -1.872 1.00 0.00 O ATOM 0 H GLU A 10 -8.846 -10.965 -0.061 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.027 -10.001 1.851 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.319 -10.130 -0.996 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.947 -8.467 -0.588 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.792 -9.056 -0.477 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.169 -9.945 0.985 1.00 0.00 H new ATOM 127 N MET A 11 -9.083 -7.696 0.644 1.00 0.00 N ATOM 128 CA MET A 11 -9.676 -6.394 0.928 1.00 0.00 C ATOM 129 C MET A 11 -9.965 -6.243 2.418 1.00 0.00 C ATOM 130 O MET A 11 -9.687 -5.201 3.011 1.00 0.00 O ATOM 131 CB MET A 11 -10.965 -6.212 0.126 1.00 0.00 C ATOM 132 CG MET A 11 -11.343 -4.755 -0.093 1.00 0.00 C ATOM 133 SD MET A 11 -11.278 -4.275 -1.830 1.00 0.00 S ATOM 134 CE MET A 11 -10.164 -2.875 -1.753 1.00 0.00 C ATOM 0 H MET A 11 -9.383 -8.113 -0.237 1.00 0.00 H new ATOM 0 HA MET A 11 -8.962 -5.625 0.634 1.00 0.00 H new ATOM 0 HB2 MET A 11 -10.853 -6.699 -0.842 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.780 -6.717 0.644 1.00 0.00 H new ATOM 0 HG2 MET A 11 -12.349 -4.583 0.290 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.670 -4.119 0.481 1.00 0.00 H new ATOM 0 HE1 MET A 11 -9.883 -2.578 -2.763 1.00 0.00 H new ATOM 0 HE2 MET A 11 -10.660 -2.042 -1.255 1.00 0.00 H new ATOM 0 HE3 MET A 11 -9.270 -3.152 -1.194 1.00 0.00 H new ATOM 142 N MET A 12 -10.524 -7.289 3.017 1.00 0.00 N ATOM 143 CA MET A 12 -10.850 -7.271 4.439 1.00 0.00 C ATOM 144 C MET A 12 -9.582 -7.270 5.287 1.00 0.00 C ATOM 145 O MET A 12 -9.416 -6.429 6.171 1.00 0.00 O ATOM 146 CB MET A 12 -11.718 -8.477 4.801 1.00 0.00 C ATOM 147 CG MET A 12 -11.941 -8.639 6.296 1.00 0.00 C ATOM 148 SD MET A 12 -12.742 -7.204 7.038 1.00 0.00 S ATOM 149 CE MET A 12 -14.010 -7.997 8.024 1.00 0.00 C ATOM 0 H MET A 12 -10.761 -8.159 2.541 1.00 0.00 H new ATOM 0 HA MET A 12 -11.406 -6.357 4.647 1.00 0.00 H new ATOM 0 HB2 MET A 12 -12.684 -8.380 4.306 1.00 0.00 H new ATOM 0 HB3 MET A 12 -11.250 -9.381 4.412 1.00 0.00 H new ATOM 0 HG2 MET A 12 -12.552 -9.524 6.475 1.00 0.00 H new ATOM 0 HG3 MET A 12 -10.982 -8.809 6.786 1.00 0.00 H new ATOM 0 HE1 MET A 12 -14.593 -7.238 8.546 1.00 0.00 H new ATOM 0 HE2 MET A 12 -14.667 -8.576 7.375 1.00 0.00 H new ATOM 0 HE3 MET A 12 -13.543 -8.660 8.752 1.00 0.00 H new ATOM 157 N GLU A 13 -8.691 -8.217 5.013 1.00 0.00 N ATOM 158 CA GLU A 13 -7.439 -8.324 5.753 1.00 0.00 C ATOM 159 C GLU A 13 -6.560 -7.099 5.516 1.00 0.00 C ATOM 160 O GLU A 13 -6.228 -6.370 6.452 1.00 0.00 O ATOM 161 CB GLU A 13 -6.685 -9.591 5.342 1.00 0.00 C ATOM 162 CG GLU A 13 -6.998 -10.794 6.216 1.00 0.00 C ATOM 163 CD GLU A 13 -6.306 -12.057 5.739 1.00 0.00 C ATOM 164 OE1 GLU A 13 -6.160 -12.995 6.550 1.00 0.00 O ATOM 165 OE2 GLU A 13 -5.911 -12.107 4.555 1.00 0.00 O ATOM 0 H GLU A 13 -8.812 -8.921 4.285 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.678 -8.379 6.815 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.930 -9.830 4.307 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.613 -9.394 5.379 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.694 -10.583 7.241 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.076 -10.958 6.230 1.00 0.00 H new ATOM 170 N LEU A 14 -6.186 -6.879 4.260 1.00 0.00 N ATOM 171 CA LEU A 14 -5.346 -5.742 3.900 1.00 0.00 C ATOM 172 C LEU A 14 -5.844 -4.464 4.566 1.00 0.00 C ATOM 173 O LEU A 14 -5.070 -3.728 5.179 1.00 0.00 O ATOM 174 CB LEU A 14 -5.322 -5.563 2.382 1.00 0.00 C ATOM 175 CG LEU A 14 -5.146 -6.839 1.557 1.00 0.00 C ATOM 176 CD1 LEU A 14 -4.940 -6.501 0.089 1.00 0.00 C ATOM 177 CD2 LEU A 14 -3.978 -7.659 2.086 1.00 0.00 C ATOM 0 H LEU A 14 -6.451 -7.473 3.474 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.334 -5.943 4.253 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.253 -5.084 2.078 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.513 -4.877 2.130 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.054 -7.436 1.648 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.817 -7.421 -0.482 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.807 -5.956 -0.284 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.048 -5.884 -0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.867 -8.563 1.487 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.063 -7.070 2.026 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.166 -7.932 3.124 1.00 0.00 H new ATOM 188 N ARG A 15 -7.143 -4.207 4.445 1.00 0.00 N ATOM 189 CA ARG A 15 -7.745 -3.018 5.037 1.00 0.00 C ATOM 190 C ARG A 15 -7.535 -2.997 6.548 1.00 0.00 C ATOM 191 O ARG A 15 -7.185 -1.966 7.122 1.00 0.00 O ATOM 192 CB ARG A 15 -9.240 -2.964 4.718 1.00 0.00 C ATOM 193 CG ARG A 15 -10.000 -1.930 5.531 1.00 0.00 C ATOM 194 CD ARG A 15 -11.132 -2.566 6.323 1.00 0.00 C ATOM 195 NE ARG A 15 -10.997 -2.329 7.758 1.00 0.00 N ATOM 196 CZ ARG A 15 -11.948 -2.611 8.642 1.00 0.00 C ATOM 197 NH1 ARG A 15 -13.096 -3.138 8.240 1.00 0.00 N ATOM 198 NH2 ARG A 15 -11.751 -2.366 9.931 1.00 0.00 N ATOM 0 H ARG A 15 -7.798 -4.806 3.943 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.257 -2.143 4.608 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.369 -2.746 3.658 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -9.677 -3.947 4.897 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.315 -1.427 6.213 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.404 -1.167 4.865 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -12.085 -2.166 5.978 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.149 -3.639 6.133 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.125 -1.925 8.100 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -13.251 -3.328 7.250 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -13.824 -3.354 8.921 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -10.869 -1.961 10.244 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -12.482 -2.583 10.609 1.00 0.00 H new ATOM 209 N GLU A 16 -7.753 -4.143 7.186 1.00 0.00 N ATOM 210 CA GLU A 16 -7.590 -4.255 8.631 1.00 0.00 C ATOM 211 C GLU A 16 -6.208 -3.772 9.061 1.00 0.00 C ATOM 212 O GLU A 16 -6.081 -2.924 9.944 1.00 0.00 O ATOM 213 CB GLU A 16 -7.799 -5.703 9.080 1.00 0.00 C ATOM 214 CG GLU A 16 -6.798 -6.167 10.124 1.00 0.00 C ATOM 215 CD GLU A 16 -7.221 -7.454 10.806 1.00 0.00 C ATOM 216 OE1 GLU A 16 -7.896 -7.375 11.854 1.00 0.00 O ATOM 217 OE2 GLU A 16 -6.877 -8.539 10.293 1.00 0.00 O ATOM 0 H GLU A 16 -8.043 -5.006 6.726 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.341 -3.623 9.106 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.806 -5.808 9.483 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.734 -6.357 8.211 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.827 -6.313 9.651 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.673 -5.386 10.875 1.00 0.00 H new ATOM 222 N ALA A 17 -5.174 -4.321 8.432 1.00 0.00 N ATOM 223 CA ALA A 17 -3.801 -3.947 8.748 1.00 0.00 C ATOM 224 C ALA A 17 -3.539 -2.483 8.409 1.00 0.00 C ATOM 225 O ALA A 17 -3.112 -1.706 9.264 1.00 0.00 O ATOM 226 CB ALA A 17 -2.825 -4.846 8.002 1.00 0.00 C ATOM 0 H ALA A 17 -5.261 -5.026 7.700 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.652 -4.077 9.820 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.803 -4.556 8.247 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.988 -5.883 8.296 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.984 -4.744 6.928 1.00 0.00 H new ATOM 232 N PHE A 18 -3.798 -2.113 7.160 1.00 0.00 N ATOM 233 CA PHE A 18 -3.589 -0.743 6.709 1.00 0.00 C ATOM 234 C PHE A 18 -4.056 0.254 7.765 1.00 0.00 C ATOM 235 O PHE A 18 -3.293 1.115 8.202 1.00 0.00 O ATOM 236 CB PHE A 18 -4.332 -0.497 5.395 1.00 0.00 C ATOM 237 CG PHE A 18 -4.221 0.916 4.898 1.00 0.00 C ATOM 238 CD1 PHE A 18 -3.305 1.248 3.912 1.00 0.00 C ATOM 239 CD2 PHE A 18 -5.030 1.913 5.418 1.00 0.00 C ATOM 240 CE1 PHE A 18 -3.200 2.547 3.452 1.00 0.00 C ATOM 241 CE2 PHE A 18 -4.930 3.214 4.962 1.00 0.00 C ATOM 242 CZ PHE A 18 -4.012 3.532 3.979 1.00 0.00 C ATOM 0 H PHE A 18 -4.153 -2.744 6.441 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.521 -0.600 6.546 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.941 -1.173 4.634 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.385 -0.744 5.531 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.666 0.482 3.498 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -5.747 1.671 6.189 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.484 2.792 2.681 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -5.569 3.981 5.374 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.930 4.549 3.624 1.00 0.00 H new ATOM 251 N ALA A 19 -5.316 0.131 8.170 1.00 0.00 N ATOM 252 CA ALA A 19 -5.885 1.020 9.175 1.00 0.00 C ATOM 253 C ALA A 19 -4.997 1.089 10.413 1.00 0.00 C ATOM 254 O ALA A 19 -4.719 2.172 10.930 1.00 0.00 O ATOM 255 CB ALA A 19 -7.285 0.560 9.554 1.00 0.00 C ATOM 0 H ALA A 19 -5.962 -0.576 7.817 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.946 2.020 8.747 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.698 1.233 10.305 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.922 0.568 8.670 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.239 -0.451 9.959 1.00 0.00 H new ATOM 261 N LYS A 20 -4.553 -0.071 10.884 1.00 0.00 N ATOM 262 CA LYS A 20 -3.695 -0.142 12.060 1.00 0.00 C ATOM 263 C LYS A 20 -2.447 0.716 11.877 1.00 0.00 C ATOM 264 O LYS A 20 -1.880 1.218 12.846 1.00 0.00 O ATOM 265 CB LYS A 20 -3.293 -1.593 12.336 1.00 0.00 C ATOM 266 CG LYS A 20 -4.461 -2.564 12.310 1.00 0.00 C ATOM 267 CD LYS A 20 -4.495 -3.429 13.558 1.00 0.00 C ATOM 268 CE LYS A 20 -3.159 -4.120 13.793 1.00 0.00 C ATOM 269 NZ LYS A 20 -3.223 -5.076 14.933 1.00 0.00 N ATOM 0 H LYS A 20 -4.774 -0.976 10.468 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.256 0.242 12.912 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.556 -1.904 11.595 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.808 -1.648 13.311 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.395 -2.009 12.226 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.387 -3.200 11.428 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.745 -2.813 14.422 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.281 -4.178 13.462 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.861 -4.652 12.889 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.392 -3.371 13.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.294 -5.526 15.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.483 -4.565 15.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.937 -5.806 14.734 1.00 0.00 H new ATOM 279 N VAL A 21 -2.027 0.882 10.627 1.00 0.00 N ATOM 280 CA VAL A 21 -0.848 1.681 10.316 1.00 0.00 C ATOM 281 C VAL A 21 -1.237 2.998 9.651 1.00 0.00 C ATOM 282 O VAL A 21 -0.376 3.761 9.212 1.00 0.00 O ATOM 283 CB VAL A 21 0.121 0.919 9.393 1.00 0.00 C ATOM 284 CG1 VAL A 21 1.439 0.654 10.104 1.00 0.00 C ATOM 285 CG2 VAL A 21 -0.510 -0.381 8.918 1.00 0.00 C ATOM 0 H VAL A 21 -2.486 0.474 9.813 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.348 1.888 11.262 1.00 0.00 H new ATOM 0 HB VAL A 21 0.326 1.537 8.519 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.111 0.115 9.436 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.895 1.602 10.390 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.257 0.055 10.996 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.188 -0.907 8.267 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.746 -1.007 9.779 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.425 -0.162 8.368 1.00 0.00 H new ATOM 295 N ASP A 22 -2.538 3.256 9.581 1.00 0.00 N ATOM 296 CA ASP A 22 -3.041 4.481 8.970 1.00 0.00 C ATOM 297 C ASP A 22 -3.474 5.482 10.037 1.00 0.00 C ATOM 298 O ASP A 22 -4.549 6.079 9.945 1.00 0.00 O ATOM 299 CB ASP A 22 -4.215 4.168 8.040 1.00 0.00 C ATOM 300 CG ASP A 22 -4.651 5.374 7.232 1.00 0.00 C ATOM 301 OD1 ASP A 22 -5.635 6.033 7.631 1.00 0.00 O ATOM 302 OD2 ASP A 22 -4.008 5.660 6.200 1.00 0.00 O ATOM 0 H ASP A 22 -3.263 2.634 9.939 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.234 4.925 8.387 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.933 3.363 7.362 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -5.057 3.807 8.631 1.00 0.00 H new ATOM 306 N THR A 23 -2.633 5.660 11.050 1.00 0.00 N ATOM 307 CA THR A 23 -2.930 6.586 12.136 1.00 0.00 C ATOM 308 C THR A 23 -2.564 8.016 11.755 1.00 0.00 C ATOM 309 O THR A 23 -2.638 8.928 12.579 1.00 0.00 O ATOM 310 CB THR A 23 -2.178 6.202 13.424 1.00 0.00 C ATOM 311 OG1 THR A 23 -2.557 7.075 14.492 1.00 0.00 O ATOM 312 CG2 THR A 23 -0.672 6.275 13.213 1.00 0.00 C ATOM 0 H THR A 23 -1.740 5.175 11.141 1.00 0.00 H new ATOM 0 HA THR A 23 -4.003 6.524 12.319 1.00 0.00 H new ATOM 0 HB THR A 23 -2.445 5.177 13.682 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.696 7.979 14.141 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.162 6.000 14.136 1.00 0.00 H new ATOM 0 HG22 THR A 23 -0.382 5.587 12.419 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.393 7.291 12.933 1.00 0.00 H new ATOM 320 N ASP A 24 -2.167 8.207 10.501 1.00 0.00 N ATOM 321 CA ASP A 24 -1.790 9.527 10.010 1.00 0.00 C ATOM 322 C ASP A 24 -2.971 10.490 10.082 1.00 0.00 C ATOM 323 O ASP A 24 -2.799 11.705 9.996 1.00 0.00 O ATOM 324 CB ASP A 24 -1.280 9.432 8.571 1.00 0.00 C ATOM 325 CG ASP A 24 -0.303 8.290 8.377 1.00 0.00 C ATOM 326 OD1 ASP A 24 0.899 8.563 8.177 1.00 0.00 O ATOM 327 OD2 ASP A 24 -0.741 7.122 8.425 1.00 0.00 O ATOM 0 H ASP A 24 -2.098 7.464 9.806 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.992 9.911 10.645 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.126 9.301 7.897 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.797 10.370 8.297 1.00 0.00 H new ATOM 331 N GLY A 25 -4.171 9.939 10.241 1.00 0.00 N ATOM 332 CA GLY A 25 -5.361 10.763 10.321 1.00 0.00 C ATOM 333 C GLY A 25 -5.656 11.484 9.021 1.00 0.00 C ATOM 334 O GLY A 25 -6.488 12.390 8.980 1.00 0.00 O ATOM 0 H GLY A 25 -4.339 8.936 10.316 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.214 10.139 10.588 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.239 11.495 11.119 1.00 0.00 H new ATOM 338 N ASN A 26 -4.969 11.084 7.955 1.00 0.00 N ATOM 339 CA ASN A 26 -5.160 11.700 6.647 1.00 0.00 C ATOM 340 C ASN A 26 -5.783 10.712 5.666 1.00 0.00 C ATOM 341 O ASN A 26 -6.299 11.102 4.619 1.00 0.00 O ATOM 342 CB ASN A 26 -3.823 12.206 6.099 1.00 0.00 C ATOM 343 CG ASN A 26 -3.008 12.939 7.148 1.00 0.00 C ATOM 344 OD1 ASN A 26 -1.861 12.374 7.505 1.00 0.00 O flip ATOM 345 ND2 ASN A 26 -3.407 13.998 7.630 1.00 0.00 N flip ATOM 0 H ASN A 26 -4.275 10.336 7.972 1.00 0.00 H new ATOM 0 HA ASN A 26 -5.840 12.544 6.766 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.247 11.362 5.719 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.008 12.872 5.256 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.296 14.395 7.324 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.849 14.480 8.335 1.00 0.00 H new ATOM 351 N GLY A 27 -5.733 9.429 6.013 1.00 0.00 N ATOM 352 CA GLY A 27 -6.297 8.406 5.153 1.00 0.00 C ATOM 353 C GLY A 27 -5.232 7.553 4.493 1.00 0.00 C ATOM 354 O GLY A 27 -5.526 6.480 3.964 1.00 0.00 O ATOM 0 H GLY A 27 -5.312 9.081 6.874 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.959 7.767 5.738 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.908 8.878 4.384 1.00 0.00 H new ATOM 358 N TYR A 28 -3.993 8.029 4.522 1.00 0.00 N ATOM 359 CA TYR A 28 -2.881 7.304 3.917 1.00 0.00 C ATOM 360 C TYR A 28 -1.857 6.900 4.973 1.00 0.00 C ATOM 361 O TYR A 28 -1.986 7.253 6.145 1.00 0.00 O ATOM 362 CB TYR A 28 -2.211 8.161 2.842 1.00 0.00 C ATOM 363 CG TYR A 28 -2.778 9.559 2.741 1.00 0.00 C ATOM 364 CD1 TYR A 28 -3.982 9.797 2.089 1.00 0.00 C ATOM 365 CD2 TYR A 28 -2.109 10.644 3.296 1.00 0.00 C ATOM 366 CE1 TYR A 28 -4.503 11.072 1.994 1.00 0.00 C ATOM 367 CE2 TYR A 28 -2.624 11.922 3.207 1.00 0.00 C ATOM 368 CZ TYR A 28 -3.821 12.132 2.554 1.00 0.00 C ATOM 369 OH TYR A 28 -4.336 13.404 2.463 1.00 0.00 O ATOM 0 H TYR A 28 -3.732 8.914 4.958 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.277 6.399 3.456 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.144 8.225 3.054 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -2.315 7.665 1.877 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -4.520 8.970 1.649 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.170 10.484 3.806 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.440 11.239 1.484 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -2.092 12.753 3.646 1.00 0.00 H new ATOM 0 HH TYR A 28 -3.733 14.034 2.910 1.00 0.00 H new ATOM 378 N ILE A 29 -0.840 6.158 4.547 1.00 0.00 N ATOM 379 CA ILE A 29 0.208 5.706 5.454 1.00 0.00 C ATOM 380 C ILE A 29 1.591 6.018 4.894 1.00 0.00 C ATOM 381 O ILE A 29 1.852 5.817 3.708 1.00 0.00 O ATOM 382 CB ILE A 29 0.104 4.194 5.725 1.00 0.00 C ATOM 383 CG1 ILE A 29 0.422 3.404 4.453 1.00 0.00 C ATOM 384 CG2 ILE A 29 -1.282 3.841 6.242 1.00 0.00 C ATOM 385 CD1 ILE A 29 0.180 1.916 4.591 1.00 0.00 C ATOM 0 H ILE A 29 -0.720 5.857 3.580 1.00 0.00 H new ATOM 0 HA ILE A 29 0.069 6.245 6.391 1.00 0.00 H new ATOM 0 HB ILE A 29 0.833 3.926 6.490 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.186 3.789 3.634 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.464 3.571 4.182 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.339 2.769 6.428 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.473 4.381 7.169 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.029 4.120 5.499 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.426 1.419 3.653 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.808 1.518 5.388 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.868 1.739 4.832 1.00 0.00 H new ATOM 396 N SER A 30 2.476 6.508 5.756 1.00 0.00 N ATOM 397 CA SER A 30 3.834 6.850 5.348 1.00 0.00 C ATOM 398 C SER A 30 4.543 5.639 4.751 1.00 0.00 C ATOM 399 O SER A 30 4.095 4.502 4.912 1.00 0.00 O ATOM 400 CB SER A 30 4.629 7.383 6.541 1.00 0.00 C ATOM 401 OG SER A 30 6.005 7.503 6.225 1.00 0.00 O ATOM 0 H SER A 30 2.277 6.677 6.742 1.00 0.00 H new ATOM 0 HA SER A 30 3.773 7.626 4.585 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.235 8.355 6.839 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.505 6.714 7.392 1.00 0.00 H new ATOM 0 HG SER A 30 6.491 7.847 7.004 1.00 0.00 H new ATOM 406 N PHE A 31 5.650 5.889 4.062 1.00 0.00 N ATOM 407 CA PHE A 31 6.422 4.820 3.438 1.00 0.00 C ATOM 408 C PHE A 31 6.676 3.686 4.427 1.00 0.00 C ATOM 409 O PHE A 31 6.289 2.543 4.190 1.00 0.00 O ATOM 410 CB PHE A 31 7.752 5.361 2.913 1.00 0.00 C ATOM 411 CG PHE A 31 7.744 5.642 1.437 1.00 0.00 C ATOM 412 CD1 PHE A 31 6.787 6.476 0.882 1.00 0.00 C ATOM 413 CD2 PHE A 31 8.694 5.071 0.605 1.00 0.00 C ATOM 414 CE1 PHE A 31 6.778 6.736 -0.475 1.00 0.00 C ATOM 415 CE2 PHE A 31 8.689 5.327 -0.753 1.00 0.00 C ATOM 416 CZ PHE A 31 7.729 6.161 -1.294 1.00 0.00 C ATOM 0 H PHE A 31 6.034 6.823 3.921 1.00 0.00 H new ATOM 0 HA PHE A 31 5.843 4.428 2.602 1.00 0.00 H new ATOM 0 HB2 PHE A 31 7.999 6.278 3.448 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.540 4.641 3.134 1.00 0.00 H new ATOM 0 HD1 PHE A 31 6.040 6.928 1.517 1.00 0.00 H new ATOM 0 HD2 PHE A 31 9.447 4.419 1.023 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.027 7.389 -0.895 1.00 0.00 H new ATOM 0 HE2 PHE A 31 9.435 4.876 -1.391 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.723 6.362 -2.355 1.00 0.00 H new ATOM 425 N ASN A 32 7.332 4.012 5.537 1.00 0.00 N ATOM 426 CA ASN A 32 7.640 3.022 6.562 1.00 0.00 C ATOM 427 C ASN A 32 6.394 2.229 6.945 1.00 0.00 C ATOM 428 O ASN A 32 6.424 1.000 7.007 1.00 0.00 O ATOM 429 CB ASN A 32 8.224 3.704 7.800 1.00 0.00 C ATOM 430 CG ASN A 32 9.466 4.514 7.483 1.00 0.00 C ATOM 431 OD1 ASN A 32 9.397 5.728 7.292 1.00 0.00 O ATOM 432 ND2 ASN A 32 10.610 3.843 7.425 1.00 0.00 N ATOM 0 H ASN A 32 7.660 4.954 5.749 1.00 0.00 H new ATOM 0 HA ASN A 32 8.378 2.331 6.154 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.471 4.357 8.241 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.467 2.948 8.547 1.00 0.00 H new ATOM 0 HD21 ASN A 32 11.479 4.334 7.215 1.00 0.00 H new ATOM 0 HD22 ASN A 32 10.620 2.837 7.590 1.00 0.00 H new ATOM 438 N GLU A 33 5.301 2.941 7.199 1.00 0.00 N ATOM 439 CA GLU A 33 4.044 2.303 7.575 1.00 0.00 C ATOM 440 C GLU A 33 3.613 1.287 6.521 1.00 0.00 C ATOM 441 O GLU A 33 3.177 0.183 6.850 1.00 0.00 O ATOM 442 CB GLU A 33 2.949 3.355 7.763 1.00 0.00 C ATOM 443 CG GLU A 33 3.273 4.388 8.830 1.00 0.00 C ATOM 444 CD GLU A 33 4.366 3.926 9.774 1.00 0.00 C ATOM 445 OE1 GLU A 33 5.525 4.357 9.595 1.00 0.00 O ATOM 446 OE2 GLU A 33 4.064 3.137 10.693 1.00 0.00 O ATOM 0 H GLU A 33 5.260 3.959 7.151 1.00 0.00 H new ATOM 0 HA GLU A 33 4.200 1.779 8.518 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.781 3.865 6.815 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.017 2.854 8.025 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.581 5.317 8.350 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.372 4.609 9.403 1.00 0.00 H new ATOM 451 N LEU A 34 3.738 1.669 5.255 1.00 0.00 N ATOM 452 CA LEU A 34 3.361 0.791 4.151 1.00 0.00 C ATOM 453 C LEU A 34 4.104 -0.537 4.234 1.00 0.00 C ATOM 454 O LEU A 34 3.491 -1.598 4.341 1.00 0.00 O ATOM 455 CB LEU A 34 3.653 1.470 2.812 1.00 0.00 C ATOM 456 CG LEU A 34 3.854 0.538 1.618 1.00 0.00 C ATOM 457 CD1 LEU A 34 2.578 -0.236 1.322 1.00 0.00 C ATOM 458 CD2 LEU A 34 4.297 1.326 0.393 1.00 0.00 C ATOM 0 H LEU A 34 4.097 2.579 4.967 1.00 0.00 H new ATOM 0 HA LEU A 34 2.292 0.593 4.225 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.830 2.148 2.584 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.548 2.082 2.925 1.00 0.00 H new ATOM 0 HG LEU A 34 4.638 -0.176 1.869 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.741 -0.894 0.469 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.304 -0.832 2.192 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.774 0.463 1.093 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.435 0.645 -0.447 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.536 2.064 0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.238 1.833 0.607 1.00 0.00 H new ATOM 469 N ASN A 35 5.431 -0.472 4.185 1.00 0.00 N ATOM 470 CA ASN A 35 6.260 -1.670 4.257 1.00 0.00 C ATOM 471 C ASN A 35 5.829 -2.561 5.418 1.00 0.00 C ATOM 472 O ASN A 35 5.665 -3.771 5.258 1.00 0.00 O ATOM 473 CB ASN A 35 7.733 -1.288 4.410 1.00 0.00 C ATOM 474 CG ASN A 35 8.667 -2.378 3.919 1.00 0.00 C ATOM 475 OD1 ASN A 35 8.591 -3.523 4.364 1.00 0.00 O ATOM 476 ND2 ASN A 35 9.555 -2.024 2.997 1.00 0.00 N ATOM 0 H ASN A 35 5.955 0.398 4.096 1.00 0.00 H new ATOM 0 HA ASN A 35 6.132 -2.227 3.329 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.927 -0.370 3.855 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.944 -1.078 5.458 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.210 -2.713 2.629 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.582 -1.063 2.657 1.00 0.00 H new ATOM 482 N ASP A 36 5.647 -1.954 6.585 1.00 0.00 N ATOM 483 CA ASP A 36 5.234 -2.692 7.774 1.00 0.00 C ATOM 484 C ASP A 36 3.863 -3.329 7.569 1.00 0.00 C ATOM 485 O ASP A 36 3.588 -4.414 8.084 1.00 0.00 O ATOM 486 CB ASP A 36 5.203 -1.765 8.990 1.00 0.00 C ATOM 487 CG ASP A 36 6.518 -1.039 9.198 1.00 0.00 C ATOM 488 OD1 ASP A 36 7.530 -1.460 8.599 1.00 0.00 O ATOM 489 OD2 ASP A 36 6.535 -0.050 9.960 1.00 0.00 O ATOM 0 H ASP A 36 5.779 -0.954 6.734 1.00 0.00 H new ATOM 0 HA ASP A 36 5.960 -3.485 7.950 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.404 -1.034 8.866 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.968 -2.347 9.881 1.00 0.00 H new ATOM 493 N LEU A 37 3.007 -2.648 6.817 1.00 0.00 N ATOM 494 CA LEU A 37 1.663 -3.146 6.545 1.00 0.00 C ATOM 495 C LEU A 37 1.710 -4.362 5.624 1.00 0.00 C ATOM 496 O LEU A 37 0.896 -5.278 5.747 1.00 0.00 O ATOM 497 CB LEU A 37 0.808 -2.046 5.912 1.00 0.00 C ATOM 498 CG LEU A 37 -0.286 -2.514 4.953 1.00 0.00 C ATOM 499 CD1 LEU A 37 -1.238 -3.472 5.655 1.00 0.00 C ATOM 500 CD2 LEU A 37 -1.046 -1.323 4.389 1.00 0.00 C ATOM 0 H LEU A 37 3.219 -1.749 6.384 1.00 0.00 H new ATOM 0 HA LEU A 37 1.215 -3.446 7.492 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.341 -1.472 6.712 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.468 -1.365 5.374 1.00 0.00 H new ATOM 0 HG LEU A 37 0.186 -3.044 4.125 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.010 -3.795 4.957 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.684 -4.341 6.010 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.703 -2.967 6.502 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.821 -1.675 3.708 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.506 -0.765 5.205 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.357 -0.674 3.849 1.00 0.00 H new ATOM 511 N PHE A 38 2.667 -4.363 4.703 1.00 0.00 N ATOM 512 CA PHE A 38 2.821 -5.467 3.762 1.00 0.00 C ATOM 513 C PHE A 38 3.255 -6.739 4.483 1.00 0.00 C ATOM 514 O PHE A 38 2.789 -7.835 4.170 1.00 0.00 O ATOM 515 CB PHE A 38 3.842 -5.106 2.681 1.00 0.00 C ATOM 516 CG PHE A 38 3.223 -4.839 1.338 1.00 0.00 C ATOM 517 CD1 PHE A 38 2.731 -3.582 1.024 1.00 0.00 C ATOM 518 CD2 PHE A 38 3.135 -5.845 0.390 1.00 0.00 C ATOM 519 CE1 PHE A 38 2.162 -3.334 -0.210 1.00 0.00 C ATOM 520 CE2 PHE A 38 2.567 -5.603 -0.847 1.00 0.00 C ATOM 521 CZ PHE A 38 2.079 -4.345 -1.147 1.00 0.00 C ATOM 0 H PHE A 38 3.348 -3.612 4.588 1.00 0.00 H new ATOM 0 HA PHE A 38 1.854 -5.648 3.292 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.398 -4.224 2.998 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.561 -5.919 2.586 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.793 -2.787 1.753 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.514 -6.830 0.620 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.782 -2.350 -0.442 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.505 -6.396 -1.578 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.634 -4.153 -2.112 1.00 0.00 H new ATOM 530 N LYS A 39 4.154 -6.587 5.450 1.00 0.00 N ATOM 531 CA LYS A 39 4.654 -7.721 6.217 1.00 0.00 C ATOM 532 C LYS A 39 3.684 -8.092 7.335 1.00 0.00 C ATOM 533 O LYS A 39 3.463 -9.270 7.613 1.00 0.00 O ATOM 534 CB LYS A 39 6.029 -7.400 6.807 1.00 0.00 C ATOM 535 CG LYS A 39 6.987 -6.773 5.808 1.00 0.00 C ATOM 536 CD LYS A 39 8.374 -6.597 6.402 1.00 0.00 C ATOM 537 CE LYS A 39 8.371 -5.587 7.539 1.00 0.00 C ATOM 538 NZ LYS A 39 8.169 -4.197 7.045 1.00 0.00 N ATOM 0 H LYS A 39 4.551 -5.688 5.721 1.00 0.00 H new ATOM 0 HA LYS A 39 4.746 -8.571 5.541 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.904 -6.723 7.652 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.471 -8.317 7.196 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.048 -7.400 4.918 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.601 -5.805 5.490 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.738 -7.557 6.768 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.065 -6.269 5.625 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.581 -5.839 8.247 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.315 -5.647 8.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.291 -3.528 7.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.866 -3.988 6.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.209 -4.103 6.656 1.00 0.00 H new ATOM 548 N ALA A 40 3.105 -7.077 7.971 1.00 0.00 N ATOM 549 CA ALA A 40 2.158 -7.297 9.055 1.00 0.00 C ATOM 550 C ALA A 40 0.898 -7.995 8.550 1.00 0.00 C ATOM 551 O ALA A 40 0.263 -8.754 9.281 1.00 0.00 O ATOM 552 CB ALA A 40 1.800 -5.976 9.720 1.00 0.00 C ATOM 0 H ALA A 40 3.276 -6.095 7.753 1.00 0.00 H new ATOM 0 HA ALA A 40 2.632 -7.946 9.792 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.091 -6.156 10.528 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.702 -5.516 10.124 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.350 -5.309 8.985 1.00 0.00 H new ATOM 558 N ALA A 41 0.544 -7.731 7.297 1.00 0.00 N ATOM 559 CA ALA A 41 -0.639 -8.335 6.695 1.00 0.00 C ATOM 560 C ALA A 41 -0.307 -9.685 6.070 1.00 0.00 C ATOM 561 O ALA A 41 -1.129 -10.273 5.365 1.00 0.00 O ATOM 562 CB ALA A 41 -1.236 -7.400 5.653 1.00 0.00 C ATOM 0 H ALA A 41 1.059 -7.104 6.679 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.374 -8.500 7.482 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.118 -7.863 5.211 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.518 -6.460 6.127 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.499 -7.206 4.873 1.00 0.00 H new ATOM 568 N CYS A 42 0.901 -10.173 6.331 1.00 0.00 N ATOM 569 CA CYS A 42 1.341 -11.454 5.791 1.00 0.00 C ATOM 570 C CYS A 42 1.142 -11.507 4.281 1.00 0.00 C ATOM 571 O CYS A 42 0.516 -12.429 3.758 1.00 0.00 O ATOM 572 CB CYS A 42 0.580 -12.601 6.459 1.00 0.00 C ATOM 573 SG CYS A 42 1.348 -14.223 6.239 1.00 0.00 S ATOM 0 H CYS A 42 1.593 -9.701 6.913 1.00 0.00 H new ATOM 0 HA CYS A 42 2.405 -11.562 6.001 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.494 -12.393 7.526 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.433 -12.633 6.058 1.00 0.00 H new ATOM 0 HG CYS A 42 0.633 -15.127 6.841 1.00 0.00 H new ATOM 578 N LEU A 43 1.675 -10.509 3.584 1.00 0.00 N ATOM 579 CA LEU A 43 1.554 -10.439 2.132 1.00 0.00 C ATOM 580 C LEU A 43 2.617 -11.298 1.455 1.00 0.00 C ATOM 581 O LEU A 43 3.670 -11.590 2.025 1.00 0.00 O ATOM 582 CB LEU A 43 1.676 -8.990 1.659 1.00 0.00 C ATOM 583 CG LEU A 43 0.576 -8.037 2.125 1.00 0.00 C ATOM 584 CD1 LEU A 43 0.292 -6.987 1.061 1.00 0.00 C ATOM 585 CD2 LEU A 43 -0.691 -8.809 2.465 1.00 0.00 C ATOM 0 H LEU A 43 2.195 -9.737 4.001 1.00 0.00 H new ATOM 0 HA LEU A 43 0.572 -10.823 1.855 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.635 -8.598 1.997 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.696 -8.985 0.569 1.00 0.00 H new ATOM 0 HG LEU A 43 0.921 -7.529 3.025 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.494 -6.318 1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.198 -6.413 0.866 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.031 -7.478 0.143 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.463 -8.114 2.795 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.039 -9.345 1.582 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.480 -9.522 3.262 1.00 0.00 H new ATOM 596 N PRO A 44 2.340 -11.713 0.210 1.00 0.00 N ATOM 597 CA PRO A 44 3.261 -12.542 -0.572 1.00 0.00 C ATOM 598 C PRO A 44 4.508 -11.776 -1.000 1.00 0.00 C ATOM 599 O PRO A 44 5.632 -12.250 -0.823 1.00 0.00 O ATOM 600 CB PRO A 44 2.430 -12.937 -1.796 1.00 0.00 C ATOM 601 CG PRO A 44 1.415 -11.856 -1.930 1.00 0.00 C ATOM 602 CD PRO A 44 1.105 -11.403 -0.530 1.00 0.00 C ATOM 0 HA PRO A 44 3.632 -13.392 0.001 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.051 -13.010 -2.689 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.957 -13.909 -1.656 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.800 -11.032 -2.531 1.00 0.00 H new ATOM 0 HG3 PRO A 44 0.518 -12.223 -2.429 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.872 -10.339 -0.494 1.00 0.00 H new ATOM 0 HD3 PRO A 44 0.246 -11.932 -0.117 1.00 0.00 H new ATOM 607 N LEU A 45 4.305 -10.591 -1.563 1.00 0.00 N ATOM 608 CA LEU A 45 5.415 -9.759 -2.017 1.00 0.00 C ATOM 609 C LEU A 45 6.481 -9.636 -0.933 1.00 0.00 C ATOM 610 O LEU A 45 6.183 -9.522 0.256 1.00 0.00 O ATOM 611 CB LEU A 45 4.909 -8.369 -2.410 1.00 0.00 C ATOM 612 CG LEU A 45 3.814 -8.331 -3.475 1.00 0.00 C ATOM 613 CD1 LEU A 45 3.942 -7.077 -4.327 1.00 0.00 C ATOM 614 CD2 LEU A 45 3.872 -9.577 -4.346 1.00 0.00 C ATOM 0 H LEU A 45 3.383 -10.184 -1.717 1.00 0.00 H new ATOM 0 HA LEU A 45 5.862 -10.236 -2.889 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.534 -7.874 -1.514 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.756 -7.783 -2.767 1.00 0.00 H new ATOM 0 HG LEU A 45 2.847 -8.308 -2.973 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.154 -7.067 -5.080 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.849 -6.195 -3.693 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.914 -7.069 -4.819 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.085 -9.532 -5.098 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.843 -9.631 -4.839 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.730 -10.462 -3.725 1.00 0.00 H new ATOM 625 N PRO A 46 7.755 -9.659 -1.352 1.00 0.00 N ATOM 626 CA PRO A 46 8.893 -9.548 -0.434 1.00 0.00 C ATOM 627 C PRO A 46 9.014 -8.155 0.174 1.00 0.00 C ATOM 628 O PRO A 46 8.114 -7.328 0.040 1.00 0.00 O ATOM 629 CB PRO A 46 10.099 -9.850 -1.326 1.00 0.00 C ATOM 630 CG PRO A 46 9.655 -9.486 -2.700 1.00 0.00 C ATOM 631 CD PRO A 46 8.184 -9.792 -2.754 1.00 0.00 C ATOM 0 HA PRO A 46 8.797 -10.221 0.418 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.970 -9.268 -1.024 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.382 -10.901 -1.267 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.842 -8.432 -2.904 1.00 0.00 H new ATOM 0 HG3 PRO A 46 10.200 -10.058 -3.451 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.653 -9.097 -3.404 1.00 0.00 H new ATOM 0 HD3 PRO A 46 7.996 -10.795 -3.138 1.00 0.00 H new ATOM 636 N GLY A 47 10.135 -7.902 0.844 1.00 0.00 N ATOM 637 CA GLY A 47 10.354 -6.608 1.462 1.00 0.00 C ATOM 638 C GLY A 47 10.843 -5.569 0.474 1.00 0.00 C ATOM 639 O GLY A 47 10.411 -4.417 0.509 1.00 0.00 O ATOM 0 H GLY A 47 10.895 -8.571 0.969 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.425 -6.264 1.916 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.083 -6.712 2.266 1.00 0.00 H new ATOM 643 N TYR A 48 11.749 -5.975 -0.410 1.00 0.00 N ATOM 644 CA TYR A 48 12.301 -5.069 -1.410 1.00 0.00 C ATOM 645 C TYR A 48 11.235 -4.662 -2.424 1.00 0.00 C ATOM 646 O TYR A 48 11.189 -3.514 -2.864 1.00 0.00 O ATOM 647 CB TYR A 48 13.480 -5.727 -2.128 1.00 0.00 C ATOM 648 CG TYR A 48 13.093 -6.945 -2.936 1.00 0.00 C ATOM 649 CD1 TYR A 48 12.690 -6.825 -4.260 1.00 0.00 C ATOM 650 CD2 TYR A 48 13.130 -8.215 -2.376 1.00 0.00 C ATOM 651 CE1 TYR A 48 12.335 -7.936 -5.003 1.00 0.00 C ATOM 652 CE2 TYR A 48 12.778 -9.332 -3.111 1.00 0.00 C ATOM 653 CZ TYR A 48 12.382 -9.186 -4.423 1.00 0.00 C ATOM 654 OH TYR A 48 12.029 -10.294 -5.159 1.00 0.00 O ATOM 0 H TYR A 48 12.116 -6.926 -0.454 1.00 0.00 H new ATOM 0 HA TYR A 48 12.651 -4.172 -0.898 1.00 0.00 H new ATOM 0 HB2 TYR A 48 13.946 -4.996 -2.789 1.00 0.00 H new ATOM 0 HB3 TYR A 48 14.230 -6.014 -1.390 1.00 0.00 H new ATOM 0 HD1 TYR A 48 12.653 -5.847 -4.717 1.00 0.00 H new ATOM 0 HD2 TYR A 48 13.439 -8.332 -1.348 1.00 0.00 H new ATOM 0 HE1 TYR A 48 12.023 -7.825 -6.031 1.00 0.00 H new ATOM 0 HE2 TYR A 48 12.813 -10.313 -2.660 1.00 0.00 H new ATOM 0 HH TYR A 48 12.118 -11.097 -4.604 1.00 0.00 H new ATOM 663 N ARG A 49 10.381 -5.612 -2.788 1.00 0.00 N ATOM 664 CA ARG A 49 9.317 -5.354 -3.749 1.00 0.00 C ATOM 665 C ARG A 49 8.473 -4.159 -3.319 1.00 0.00 C ATOM 666 O ARG A 49 8.215 -3.251 -4.109 1.00 0.00 O ATOM 667 CB ARG A 49 8.428 -6.590 -3.903 1.00 0.00 C ATOM 668 CG ARG A 49 8.797 -7.463 -5.091 1.00 0.00 C ATOM 669 CD ARG A 49 7.748 -7.381 -6.189 1.00 0.00 C ATOM 670 NE ARG A 49 7.278 -8.702 -6.597 1.00 0.00 N ATOM 671 CZ ARG A 49 6.293 -8.895 -7.467 1.00 0.00 C ATOM 672 NH1 ARG A 49 5.679 -7.859 -8.019 1.00 0.00 N ATOM 673 NH2 ARG A 49 5.921 -10.129 -7.787 1.00 0.00 N ATOM 0 H ARG A 49 10.405 -6.567 -2.432 1.00 0.00 H new ATOM 0 HA ARG A 49 9.778 -5.124 -4.709 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.489 -7.186 -2.992 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.391 -6.270 -4.006 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.764 -7.152 -5.486 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.904 -8.497 -4.765 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.903 -6.788 -5.839 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.166 -6.863 -7.052 1.00 0.00 H new ATOM 0 HE ARG A 49 7.731 -9.521 -6.192 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.962 -6.910 -7.776 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.923 -8.011 -8.687 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.392 -10.929 -7.365 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.165 -10.277 -8.455 1.00 0.00 H new ATOM 684 N VAL A 50 8.044 -4.165 -2.061 1.00 0.00 N ATOM 685 CA VAL A 50 7.231 -3.081 -1.525 1.00 0.00 C ATOM 686 C VAL A 50 8.018 -1.777 -1.470 1.00 0.00 C ATOM 687 O VAL A 50 7.635 -0.781 -2.084 1.00 0.00 O ATOM 688 CB VAL A 50 6.712 -3.414 -0.113 1.00 0.00 C ATOM 689 CG1 VAL A 50 5.727 -2.354 0.358 1.00 0.00 C ATOM 690 CG2 VAL A 50 6.071 -4.794 -0.093 1.00 0.00 C ATOM 0 H VAL A 50 8.246 -4.910 -1.394 1.00 0.00 H new ATOM 0 HA VAL A 50 6.382 -2.961 -2.198 1.00 0.00 H new ATOM 0 HB VAL A 50 7.558 -3.421 0.574 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.371 -2.606 1.357 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.222 -1.383 0.383 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.881 -2.312 -0.328 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.710 -5.013 0.912 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.235 -4.817 -0.792 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.808 -5.542 -0.385 1.00 0.00 H new ATOM 700 N ARG A 51 9.122 -1.790 -0.730 1.00 0.00 N ATOM 701 CA ARG A 51 9.966 -0.608 -0.595 1.00 0.00 C ATOM 702 C ARG A 51 10.313 -0.028 -1.963 1.00 0.00 C ATOM 703 O ARG A 51 10.394 1.187 -2.129 1.00 0.00 O ATOM 704 CB ARG A 51 11.247 -0.954 0.166 1.00 0.00 C ATOM 705 CG ARG A 51 12.202 0.218 0.315 1.00 0.00 C ATOM 706 CD ARG A 51 13.579 -0.110 -0.240 1.00 0.00 C ATOM 707 NE ARG A 51 14.621 0.005 0.775 1.00 0.00 N ATOM 708 CZ ARG A 51 15.920 -0.074 0.508 1.00 0.00 C ATOM 709 NH1 ARG A 51 16.334 -0.266 -0.736 1.00 0.00 N ATOM 710 NH2 ARG A 51 16.808 0.041 1.488 1.00 0.00 N ATOM 0 H ARG A 51 9.453 -2.606 -0.215 1.00 0.00 H new ATOM 0 HA ARG A 51 9.410 0.142 -0.033 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.982 -1.324 1.156 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.759 -1.765 -0.351 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.797 1.087 -0.204 1.00 0.00 H new ATOM 0 HG3 ARG A 51 12.288 0.487 1.368 1.00 0.00 H new ATOM 0 HD2 ARG A 51 13.575 -1.123 -0.642 1.00 0.00 H new ATOM 0 HD3 ARG A 51 13.805 0.561 -1.069 1.00 0.00 H new ATOM 0 HE ARG A 51 14.336 0.154 1.743 1.00 0.00 H new ATOM 0 HH11 ARG A 51 15.655 -0.354 -1.492 1.00 0.00 H new ATOM 0 HH12 ARG A 51 17.332 -0.326 -0.938 1.00 0.00 H new ATOM 0 HH21 ARG A 51 16.493 0.190 2.447 1.00 0.00 H new ATOM 0 HH22 ARG A 51 17.805 -0.020 1.282 1.00 0.00 H new ATOM 721 N GLU A 52 10.520 -0.909 -2.937 1.00 0.00 N ATOM 722 CA GLU A 52 10.860 -0.484 -4.289 1.00 0.00 C ATOM 723 C GLU A 52 9.655 0.146 -4.982 1.00 0.00 C ATOM 724 O GLU A 52 9.725 1.277 -5.466 1.00 0.00 O ATOM 725 CB GLU A 52 11.370 -1.672 -5.109 1.00 0.00 C ATOM 726 CG GLU A 52 11.567 -1.355 -6.582 1.00 0.00 C ATOM 727 CD GLU A 52 12.365 -2.423 -7.305 1.00 0.00 C ATOM 728 OE1 GLU A 52 13.467 -2.106 -7.801 1.00 0.00 O ATOM 729 OE2 GLU A 52 11.888 -3.575 -7.376 1.00 0.00 O ATOM 0 H GLU A 52 10.458 -1.920 -2.815 1.00 0.00 H new ATOM 0 HA GLU A 52 11.649 0.265 -4.218 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.317 -2.013 -4.690 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.664 -2.497 -5.015 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.594 -1.247 -7.060 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.077 -0.397 -6.679 1.00 0.00 H new ATOM 734 N ILE A 53 8.552 -0.594 -5.026 1.00 0.00 N ATOM 735 CA ILE A 53 7.332 -0.107 -5.658 1.00 0.00 C ATOM 736 C ILE A 53 6.983 1.295 -5.174 1.00 0.00 C ATOM 737 O ILE A 53 6.539 2.141 -5.952 1.00 0.00 O ATOM 738 CB ILE A 53 6.142 -1.045 -5.380 1.00 0.00 C ATOM 739 CG1 ILE A 53 6.344 -2.386 -6.090 1.00 0.00 C ATOM 740 CG2 ILE A 53 4.841 -0.396 -5.826 1.00 0.00 C ATOM 741 CD1 ILE A 53 5.667 -3.546 -5.395 1.00 0.00 C ATOM 0 H ILE A 53 8.478 -1.532 -4.632 1.00 0.00 H new ATOM 0 HA ILE A 53 7.522 -0.081 -6.731 1.00 0.00 H new ATOM 0 HB ILE A 53 6.086 -1.228 -4.307 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.962 -2.310 -7.108 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.412 -2.591 -6.165 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.009 -1.071 -5.623 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.693 0.536 -5.280 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.886 -0.187 -6.895 1.00 0.00 H new ATOM 0 HD11 ILE A 53 5.853 -4.463 -5.954 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.066 -3.649 -4.386 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.594 -3.363 -5.344 1.00 0.00 H new ATOM 752 N THR A 54 7.186 1.538 -3.883 1.00 0.00 N ATOM 753 CA THR A 54 6.895 2.839 -3.294 1.00 0.00 C ATOM 754 C THR A 54 7.912 3.884 -3.737 1.00 0.00 C ATOM 755 O THR A 54 7.552 4.903 -4.326 1.00 0.00 O ATOM 756 CB THR A 54 6.884 2.769 -1.755 1.00 0.00 C ATOM 757 OG1 THR A 54 6.666 1.420 -1.328 1.00 0.00 O ATOM 758 CG2 THR A 54 5.803 3.671 -1.180 1.00 0.00 C ATOM 0 H THR A 54 7.551 0.850 -3.225 1.00 0.00 H new ATOM 0 HA THR A 54 5.905 3.130 -3.644 1.00 0.00 H new ATOM 0 HB THR A 54 7.852 3.112 -1.390 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.449 0.875 -1.553 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.815 3.605 -0.092 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.990 4.701 -1.483 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.829 3.354 -1.552 1.00 0.00 H new ATOM 766 N GLU A 55 9.184 3.624 -3.451 1.00 0.00 N ATOM 767 CA GLU A 55 10.253 4.545 -3.821 1.00 0.00 C ATOM 768 C GLU A 55 10.183 4.890 -5.306 1.00 0.00 C ATOM 769 O GLU A 55 10.521 6.002 -5.711 1.00 0.00 O ATOM 770 CB GLU A 55 11.617 3.935 -3.492 1.00 0.00 C ATOM 771 CG GLU A 55 12.393 4.712 -2.442 1.00 0.00 C ATOM 772 CD GLU A 55 13.848 4.909 -2.819 1.00 0.00 C ATOM 773 OE1 GLU A 55 14.219 6.049 -3.170 1.00 0.00 O ATOM 774 OE2 GLU A 55 14.615 3.926 -2.762 1.00 0.00 O ATOM 0 H GLU A 55 9.499 2.784 -2.965 1.00 0.00 H new ATOM 0 HA GLU A 55 10.124 5.462 -3.246 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.474 2.912 -3.143 1.00 0.00 H new ATOM 0 HB3 GLU A 55 12.211 3.880 -4.404 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.925 5.685 -2.296 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.337 4.185 -1.490 1.00 0.00 H new ATOM 779 N ASN A 56 9.742 3.929 -6.111 1.00 0.00 N ATOM 780 CA ASN A 56 9.629 4.132 -7.551 1.00 0.00 C ATOM 781 C ASN A 56 8.273 4.732 -7.911 1.00 0.00 C ATOM 782 O ASN A 56 8.117 5.356 -8.962 1.00 0.00 O ATOM 783 CB ASN A 56 9.824 2.807 -8.290 1.00 0.00 C ATOM 784 CG ASN A 56 11.257 2.606 -8.748 1.00 0.00 C ATOM 785 OD1 ASN A 56 12.187 2.634 -7.942 1.00 0.00 O ATOM 786 ND2 ASN A 56 11.439 2.404 -10.047 1.00 0.00 N ATOM 0 H ASN A 56 9.457 3.003 -5.791 1.00 0.00 H new ATOM 0 HA ASN A 56 10.408 4.830 -7.857 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.535 1.984 -7.637 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.161 2.775 -9.155 1.00 0.00 H new ATOM 0 HD21 ASN A 56 12.380 2.264 -10.414 1.00 0.00 H new ATOM 0 HD22 ASN A 56 10.638 2.389 -10.678 1.00 0.00 H new ATOM 792 N LEU A 57 7.295 4.539 -7.033 1.00 0.00 N ATOM 793 CA LEU A 57 5.951 5.061 -7.257 1.00 0.00 C ATOM 794 C LEU A 57 5.955 6.586 -7.268 1.00 0.00 C ATOM 795 O LEU A 57 5.584 7.210 -8.261 1.00 0.00 O ATOM 796 CB LEU A 57 4.997 4.549 -6.176 1.00 0.00 C ATOM 797 CG LEU A 57 3.989 3.488 -6.619 1.00 0.00 C ATOM 798 CD1 LEU A 57 3.097 3.082 -5.457 1.00 0.00 C ATOM 799 CD2 LEU A 57 3.152 3.999 -7.783 1.00 0.00 C ATOM 0 H LEU A 57 7.407 4.025 -6.159 1.00 0.00 H new ATOM 0 HA LEU A 57 5.608 4.710 -8.230 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.591 4.139 -5.360 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.446 5.399 -5.773 1.00 0.00 H new ATOM 0 HG LEU A 57 4.540 2.609 -6.953 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.386 2.326 -5.791 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.710 2.674 -4.653 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.555 3.954 -5.092 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.440 3.230 -8.085 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.611 4.894 -7.477 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.804 4.239 -8.623 1.00 0.00 H new ATOM 810 N MET A 58 6.377 7.179 -6.156 1.00 0.00 N ATOM 811 CA MET A 58 6.433 8.632 -6.040 1.00 0.00 C ATOM 812 C MET A 58 7.719 9.178 -6.653 1.00 0.00 C ATOM 813 O MET A 58 7.890 10.390 -6.782 1.00 0.00 O ATOM 814 CB MET A 58 6.336 9.051 -4.571 1.00 0.00 C ATOM 815 CG MET A 58 7.362 8.375 -3.677 1.00 0.00 C ATOM 816 SD MET A 58 8.725 9.469 -3.235 1.00 0.00 S ATOM 817 CE MET A 58 8.685 9.354 -1.448 1.00 0.00 C ATOM 0 H MET A 58 6.685 6.677 -5.323 1.00 0.00 H new ATOM 0 HA MET A 58 5.587 9.048 -6.586 1.00 0.00 H new ATOM 0 HB2 MET A 58 6.461 10.132 -4.501 1.00 0.00 H new ATOM 0 HB3 MET A 58 5.337 8.821 -4.201 1.00 0.00 H new ATOM 0 HG2 MET A 58 6.872 8.025 -2.768 1.00 0.00 H new ATOM 0 HG3 MET A 58 7.757 7.495 -4.185 1.00 0.00 H new ATOM 0 HE1 MET A 58 9.171 10.229 -1.016 1.00 0.00 H new ATOM 0 HE2 MET A 58 7.650 9.310 -1.109 1.00 0.00 H new ATOM 0 HE3 MET A 58 9.210 8.453 -1.130 1.00 0.00 H new ATOM 825 N ALA A 59 8.620 8.276 -7.027 1.00 0.00 N ATOM 826 CA ALA A 59 9.889 8.668 -7.628 1.00 0.00 C ATOM 827 C ALA A 59 9.682 9.720 -8.713 1.00 0.00 C ATOM 828 O ALA A 59 10.570 10.526 -8.988 1.00 0.00 O ATOM 829 CB ALA A 59 10.601 7.451 -8.199 1.00 0.00 C ATOM 0 H ALA A 59 8.495 7.269 -6.925 1.00 0.00 H new ATOM 0 HA ALA A 59 10.511 9.107 -6.848 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.547 7.759 -8.645 1.00 0.00 H new ATOM 0 HB2 ALA A 59 10.792 6.734 -7.401 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.975 6.987 -8.961 1.00 0.00 H new ATOM 835 N THR A 60 8.502 9.705 -9.327 1.00 0.00 N ATOM 836 CA THR A 60 8.179 10.655 -10.383 1.00 0.00 C ATOM 837 C THR A 60 7.220 11.728 -9.883 1.00 0.00 C ATOM 838 O THR A 60 7.528 12.919 -9.926 1.00 0.00 O ATOM 839 CB THR A 60 7.552 9.950 -11.601 1.00 0.00 C ATOM 840 OG1 THR A 60 6.670 8.910 -11.164 1.00 0.00 O ATOM 841 CG2 THR A 60 8.629 9.364 -12.502 1.00 0.00 C ATOM 0 H THR A 60 7.755 9.045 -9.110 1.00 0.00 H new ATOM 0 HA THR A 60 9.117 11.122 -10.685 1.00 0.00 H new ATOM 0 HB THR A 60 6.988 10.689 -12.170 1.00 0.00 H new ATOM 0 HG1 THR A 60 6.274 8.468 -11.944 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.162 8.872 -13.355 1.00 0.00 H new ATOM 0 HG22 THR A 60 9.281 10.162 -12.856 1.00 0.00 H new ATOM 0 HG23 THR A 60 9.217 8.638 -11.941 1.00 0.00 H new ATOM 849 N GLY A 61 6.055 11.300 -9.407 1.00 0.00 N ATOM 850 CA GLY A 61 5.069 12.238 -8.903 1.00 0.00 C ATOM 851 C GLY A 61 3.759 11.564 -8.544 1.00 0.00 C ATOM 852 O GLY A 61 2.684 12.073 -8.860 1.00 0.00 O ATOM 0 H GLY A 61 5.776 10.320 -9.361 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.468 12.742 -8.023 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.885 13.006 -9.654 1.00 0.00 H new ATOM 856 N ASP A 62 3.848 10.416 -7.882 1.00 0.00 N ATOM 857 CA ASP A 62 2.661 9.671 -7.479 1.00 0.00 C ATOM 858 C ASP A 62 2.194 10.102 -6.092 1.00 0.00 C ATOM 859 O ASP A 62 1.034 10.472 -5.903 1.00 0.00 O ATOM 860 CB ASP A 62 2.947 8.169 -7.491 1.00 0.00 C ATOM 861 CG ASP A 62 2.907 7.582 -8.888 1.00 0.00 C ATOM 862 OD1 ASP A 62 2.128 6.631 -9.111 1.00 0.00 O ATOM 863 OD2 ASP A 62 3.653 8.075 -9.759 1.00 0.00 O ATOM 0 H ASP A 62 4.730 9.981 -7.613 1.00 0.00 H new ATOM 0 HA ASP A 62 1.867 9.887 -8.193 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.927 7.985 -7.051 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.216 7.658 -6.865 1.00 0.00 H new ATOM 867 N LEU A 63 3.102 10.050 -5.124 1.00 0.00 N ATOM 868 CA LEU A 63 2.783 10.433 -3.754 1.00 0.00 C ATOM 869 C LEU A 63 3.263 11.852 -3.460 1.00 0.00 C ATOM 870 O LEU A 63 3.317 12.271 -2.305 1.00 0.00 O ATOM 871 CB LEU A 63 3.420 9.453 -2.768 1.00 0.00 C ATOM 872 CG LEU A 63 3.044 7.981 -2.947 1.00 0.00 C ATOM 873 CD1 LEU A 63 2.897 7.644 -4.422 1.00 0.00 C ATOM 874 CD2 LEU A 63 4.083 7.083 -2.292 1.00 0.00 C ATOM 0 H LEU A 63 4.066 9.746 -5.263 1.00 0.00 H new ATOM 0 HA LEU A 63 1.700 10.403 -3.637 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.503 9.543 -2.846 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.147 9.757 -1.757 1.00 0.00 H new ATOM 0 HG LEU A 63 2.085 7.808 -2.459 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.629 6.593 -4.530 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.116 8.264 -4.861 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.841 7.833 -4.934 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.800 6.039 -2.429 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.056 7.258 -2.751 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.138 7.307 -1.227 1.00 0.00 H new ATOM 885 N ASP A 64 3.606 12.584 -4.513 1.00 0.00 N ATOM 886 CA ASP A 64 4.077 13.957 -4.369 1.00 0.00 C ATOM 887 C ASP A 64 3.094 14.785 -3.548 1.00 0.00 C ATOM 888 O ASP A 64 3.459 15.815 -2.981 1.00 0.00 O ATOM 889 CB ASP A 64 4.281 14.597 -5.744 1.00 0.00 C ATOM 890 CG ASP A 64 5.705 15.068 -5.958 1.00 0.00 C ATOM 891 OD1 ASP A 64 6.174 15.918 -5.171 1.00 0.00 O ATOM 892 OD2 ASP A 64 6.351 14.587 -6.912 1.00 0.00 O ATOM 0 H ASP A 64 3.567 12.250 -5.476 1.00 0.00 H new ATOM 0 HA ASP A 64 5.032 13.934 -3.844 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.019 13.877 -6.519 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.602 15.443 -5.852 1.00 0.00 H new ATOM 896 N GLN A 65 1.847 14.330 -3.492 1.00 0.00 N ATOM 897 CA GLN A 65 0.811 15.031 -2.743 1.00 0.00 C ATOM 898 C GLN A 65 1.278 15.335 -1.323 1.00 0.00 C ATOM 899 O GLN A 65 0.899 16.351 -0.739 1.00 0.00 O ATOM 900 CB GLN A 65 -0.472 14.198 -2.703 1.00 0.00 C ATOM 901 CG GLN A 65 -0.502 13.182 -1.573 1.00 0.00 C ATOM 902 CD GLN A 65 -1.825 12.447 -1.484 1.00 0.00 C ATOM 903 OE1 GLN A 65 -2.855 12.941 -1.945 1.00 0.00 O ATOM 904 NE2 GLN A 65 -1.805 11.260 -0.889 1.00 0.00 N ATOM 0 H GLN A 65 1.529 13.479 -3.956 1.00 0.00 H new ATOM 0 HA GLN A 65 0.607 15.974 -3.249 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -1.327 14.867 -2.602 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.586 13.676 -3.653 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.302 12.460 -1.717 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -0.308 13.689 -0.628 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -0.929 10.889 -0.521 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.666 10.720 -0.800 1.00 0.00 H new ATOM 911 N ASP A 66 2.102 14.450 -0.774 1.00 0.00 N ATOM 912 CA ASP A 66 2.621 14.624 0.577 1.00 0.00 C ATOM 913 C ASP A 66 3.750 13.636 0.857 1.00 0.00 C ATOM 914 O ASP A 66 4.680 13.937 1.603 1.00 0.00 O ATOM 915 CB ASP A 66 1.502 14.445 1.604 1.00 0.00 C ATOM 916 CG ASP A 66 1.257 15.699 2.419 1.00 0.00 C ATOM 917 OD1 ASP A 66 1.100 16.780 1.812 1.00 0.00 O ATOM 918 OD2 ASP A 66 1.221 15.601 3.663 1.00 0.00 O ATOM 0 H ASP A 66 2.425 13.604 -1.244 1.00 0.00 H new ATOM 0 HA ASP A 66 3.019 15.635 0.659 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.583 14.164 1.090 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.756 13.624 2.274 1.00 0.00 H new ATOM 922 N GLY A 67 3.657 12.455 0.254 1.00 0.00 N ATOM 923 CA GLY A 67 4.676 11.440 0.453 1.00 0.00 C ATOM 924 C GLY A 67 4.132 10.198 1.133 1.00 0.00 C ATOM 925 O GLY A 67 4.886 9.279 1.455 1.00 0.00 O ATOM 0 H GLY A 67 2.896 12.183 -0.368 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.104 11.165 -0.511 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.485 11.855 1.054 1.00 0.00 H new ATOM 929 N ARG A 68 2.821 10.170 1.351 1.00 0.00 N ATOM 930 CA ARG A 68 2.179 9.033 1.998 1.00 0.00 C ATOM 931 C ARG A 68 1.601 8.073 0.963 1.00 0.00 C ATOM 932 O ARG A 68 1.780 8.261 -0.240 1.00 0.00 O ATOM 933 CB ARG A 68 1.071 9.515 2.938 1.00 0.00 C ATOM 934 CG ARG A 68 1.499 10.648 3.855 1.00 0.00 C ATOM 935 CD ARG A 68 1.865 10.138 5.239 1.00 0.00 C ATOM 936 NE ARG A 68 3.237 10.478 5.603 1.00 0.00 N ATOM 937 CZ ARG A 68 3.609 11.682 6.023 1.00 0.00 C ATOM 938 NH1 ARG A 68 2.715 12.655 6.132 1.00 0.00 N ATOM 939 NH2 ARG A 68 4.877 11.915 6.337 1.00 0.00 N ATOM 0 H ARG A 68 2.183 10.922 1.089 1.00 0.00 H new ATOM 0 HA ARG A 68 2.934 8.502 2.578 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.219 9.843 2.343 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.731 8.676 3.545 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.353 11.166 3.420 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.692 11.376 3.936 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.180 10.561 5.974 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.739 9.056 5.271 1.00 0.00 H new ATOM 0 HE ARG A 68 3.949 9.751 5.531 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.739 12.480 5.893 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.003 13.579 6.455 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.568 11.169 6.256 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.161 12.840 6.659 1.00 0.00 H new ATOM 950 N ILE A 69 0.909 7.043 1.440 1.00 0.00 N ATOM 951 CA ILE A 69 0.306 6.055 0.556 1.00 0.00 C ATOM 952 C ILE A 69 -1.094 5.676 1.029 1.00 0.00 C ATOM 953 O ILE A 69 -1.260 5.072 2.089 1.00 0.00 O ATOM 954 CB ILE A 69 1.167 4.781 0.464 1.00 0.00 C ATOM 955 CG1 ILE A 69 2.571 5.124 -0.040 1.00 0.00 C ATOM 956 CG2 ILE A 69 0.506 3.759 -0.448 1.00 0.00 C ATOM 957 CD1 ILE A 69 3.668 4.765 0.937 1.00 0.00 C ATOM 0 H ILE A 69 0.753 6.872 2.433 1.00 0.00 H new ATOM 0 HA ILE A 69 0.242 6.512 -0.431 1.00 0.00 H new ATOM 0 HB ILE A 69 1.254 4.347 1.460 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.748 4.602 -0.980 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.621 6.192 -0.254 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.127 2.865 -0.502 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.474 3.497 -0.050 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.391 4.182 -1.446 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.635 5.036 0.514 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.516 5.307 1.870 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.645 3.693 1.132 1.00 0.00 H new ATOM 968 N SER A 70 -2.098 6.033 0.235 1.00 0.00 N ATOM 969 CA SER A 70 -3.484 5.732 0.573 1.00 0.00 C ATOM 970 C SER A 70 -3.811 4.271 0.275 1.00 0.00 C ATOM 971 O SER A 70 -3.194 3.649 -0.589 1.00 0.00 O ATOM 972 CB SER A 70 -4.431 6.647 -0.205 1.00 0.00 C ATOM 973 OG SER A 70 -3.904 7.958 -0.307 1.00 0.00 O ATOM 0 H SER A 70 -1.978 6.531 -0.647 1.00 0.00 H new ATOM 0 HA SER A 70 -3.618 5.906 1.641 1.00 0.00 H new ATOM 0 HB2 SER A 70 -4.597 6.240 -1.202 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.401 6.679 0.292 1.00 0.00 H new ATOM 0 HG SER A 70 -3.743 8.317 0.591 1.00 0.00 H new ATOM 978 N PHE A 71 -4.785 3.731 1.000 1.00 0.00 N ATOM 979 CA PHE A 71 -5.195 2.343 0.815 1.00 0.00 C ATOM 980 C PHE A 71 -5.302 2.001 -0.668 1.00 0.00 C ATOM 981 O PHE A 71 -4.980 0.887 -1.083 1.00 0.00 O ATOM 982 CB PHE A 71 -6.535 2.088 1.507 1.00 0.00 C ATOM 983 CG PHE A 71 -6.850 0.630 1.686 1.00 0.00 C ATOM 984 CD1 PHE A 71 -8.154 0.172 1.582 1.00 0.00 C ATOM 985 CD2 PHE A 71 -5.844 -0.282 1.958 1.00 0.00 C ATOM 986 CE1 PHE A 71 -8.447 -1.168 1.746 1.00 0.00 C ATOM 987 CE2 PHE A 71 -6.130 -1.623 2.122 1.00 0.00 C ATOM 988 CZ PHE A 71 -7.434 -2.067 2.017 1.00 0.00 C ATOM 0 H PHE A 71 -5.305 4.232 1.720 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.435 1.703 1.264 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.529 2.573 2.483 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -7.330 2.554 0.925 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -8.950 0.871 1.370 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.823 0.060 2.043 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -9.467 -1.512 1.662 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -5.335 -2.324 2.332 1.00 0.00 H new ATOM 0 HZ PHE A 71 -7.661 -3.115 2.147 1.00 0.00 H new ATOM 997 N ASP A 72 -5.757 2.964 -1.460 1.00 0.00 N ATOM 998 CA ASP A 72 -5.908 2.766 -2.897 1.00 0.00 C ATOM 999 C ASP A 72 -4.581 2.361 -3.532 1.00 0.00 C ATOM 1000 O ASP A 72 -4.507 1.371 -4.259 1.00 0.00 O ATOM 1001 CB ASP A 72 -6.434 4.041 -3.557 1.00 0.00 C ATOM 1002 CG ASP A 72 -6.739 3.847 -5.030 1.00 0.00 C ATOM 1003 OD1 ASP A 72 -5.784 3.687 -5.818 1.00 0.00 O ATOM 1004 OD2 ASP A 72 -7.933 3.855 -5.394 1.00 0.00 O ATOM 0 H ASP A 72 -6.028 3.891 -1.132 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.627 1.962 -3.054 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -7.337 4.367 -3.042 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -5.697 4.836 -3.443 1.00 0.00 H new ATOM 1008 N GLU A 73 -3.536 3.132 -3.249 1.00 0.00 N ATOM 1009 CA GLU A 73 -2.212 2.854 -3.795 1.00 0.00 C ATOM 1010 C GLU A 73 -1.733 1.467 -3.378 1.00 0.00 C ATOM 1011 O GLU A 73 -1.278 0.679 -4.207 1.00 0.00 O ATOM 1012 CB GLU A 73 -1.211 3.913 -3.330 1.00 0.00 C ATOM 1013 CG GLU A 73 -0.637 4.748 -4.461 1.00 0.00 C ATOM 1014 CD GLU A 73 -1.417 6.027 -4.697 1.00 0.00 C ATOM 1015 OE1 GLU A 73 -1.855 6.645 -3.705 1.00 0.00 O ATOM 1016 OE2 GLU A 73 -1.588 6.409 -5.873 1.00 0.00 O ATOM 0 H GLU A 73 -3.580 3.953 -2.646 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.282 2.884 -4.882 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.701 4.574 -2.615 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.394 3.421 -2.802 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.400 4.996 -4.234 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.630 4.157 -5.377 1.00 0.00 H new ATOM 1021 N PHE A 74 -1.836 1.176 -2.085 1.00 0.00 N ATOM 1022 CA PHE A 74 -1.412 -0.115 -1.555 1.00 0.00 C ATOM 1023 C PHE A 74 -2.051 -1.260 -2.336 1.00 0.00 C ATOM 1024 O PHE A 74 -1.362 -2.164 -2.809 1.00 0.00 O ATOM 1025 CB PHE A 74 -1.778 -0.228 -0.074 1.00 0.00 C ATOM 1026 CG PHE A 74 -1.666 -1.625 0.467 1.00 0.00 C ATOM 1027 CD1 PHE A 74 -2.693 -2.537 0.281 1.00 0.00 C ATOM 1028 CD2 PHE A 74 -0.537 -2.025 1.161 1.00 0.00 C ATOM 1029 CE1 PHE A 74 -2.595 -3.824 0.776 1.00 0.00 C ATOM 1030 CE2 PHE A 74 -0.433 -3.311 1.659 1.00 0.00 C ATOM 1031 CZ PHE A 74 -1.463 -4.210 1.467 1.00 0.00 C ATOM 0 H PHE A 74 -2.209 1.817 -1.385 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.329 -0.185 -1.661 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.129 0.430 0.504 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.799 0.127 0.068 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.581 -2.239 -0.257 1.00 0.00 H new ATOM 0 HD2 PHE A 74 0.271 -1.325 1.315 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -3.401 -4.526 0.623 1.00 0.00 H new ATOM 0 HE2 PHE A 74 0.453 -3.612 2.198 1.00 0.00 H new ATOM 0 HZ PHE A 74 -1.384 -5.214 1.857 1.00 0.00 H new ATOM 1040 N ILE A 75 -3.373 -1.213 -2.468 1.00 0.00 N ATOM 1041 CA ILE A 75 -4.105 -2.245 -3.192 1.00 0.00 C ATOM 1042 C ILE A 75 -3.583 -2.391 -4.617 1.00 0.00 C ATOM 1043 O ILE A 75 -3.170 -3.475 -5.031 1.00 0.00 O ATOM 1044 CB ILE A 75 -5.613 -1.938 -3.238 1.00 0.00 C ATOM 1045 CG1 ILE A 75 -6.200 -1.941 -1.825 1.00 0.00 C ATOM 1046 CG2 ILE A 75 -6.333 -2.948 -4.118 1.00 0.00 C ATOM 1047 CD1 ILE A 75 -6.119 -3.287 -1.140 1.00 0.00 C ATOM 0 H ILE A 75 -3.958 -0.472 -2.083 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.950 -3.180 -2.653 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.753 -0.946 -3.667 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.674 -1.202 -1.220 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.243 -1.629 -1.873 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.398 -2.717 -4.140 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -5.930 -2.901 -5.130 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.187 -3.950 -3.716 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.553 -3.215 -0.143 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.669 -4.026 -1.723 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.076 -3.592 -1.060 1.00 0.00 H new ATOM 1058 N LYS A 76 -3.604 -1.293 -5.365 1.00 0.00 N ATOM 1059 CA LYS A 76 -3.131 -1.297 -6.743 1.00 0.00 C ATOM 1060 C LYS A 76 -1.752 -1.942 -6.844 1.00 0.00 C ATOM 1061 O LYS A 76 -1.434 -2.597 -7.838 1.00 0.00 O ATOM 1062 CB LYS A 76 -3.078 0.132 -7.290 1.00 0.00 C ATOM 1063 CG LYS A 76 -3.341 0.222 -8.783 1.00 0.00 C ATOM 1064 CD LYS A 76 -2.057 0.094 -9.585 1.00 0.00 C ATOM 1065 CE LYS A 76 -2.110 0.925 -10.858 1.00 0.00 C ATOM 1066 NZ LYS A 76 -0.758 1.116 -11.451 1.00 0.00 N ATOM 0 H LYS A 76 -3.944 -0.388 -5.039 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.831 -1.883 -7.339 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -3.812 0.741 -6.763 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.098 0.558 -7.076 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.036 -0.564 -9.079 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.821 1.174 -9.012 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.212 0.414 -8.975 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.888 -0.952 -9.839 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.760 0.436 -11.584 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.551 1.897 -10.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.715 2.040 -11.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.041 1.079 -10.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.573 0.362 -12.143 1.00 0.00 H new ATOM 1076 N ILE A 77 -0.940 -1.755 -5.810 1.00 0.00 N ATOM 1077 CA ILE A 77 0.403 -2.322 -5.782 1.00 0.00 C ATOM 1078 C ILE A 77 0.362 -3.820 -5.500 1.00 0.00 C ATOM 1079 O ILE A 77 1.103 -4.596 -6.102 1.00 0.00 O ATOM 1080 CB ILE A 77 1.281 -1.635 -4.720 1.00 0.00 C ATOM 1081 CG1 ILE A 77 1.453 -0.150 -5.050 1.00 0.00 C ATOM 1082 CG2 ILE A 77 2.636 -2.322 -4.628 1.00 0.00 C ATOM 1083 CD1 ILE A 77 1.694 0.715 -3.833 1.00 0.00 C ATOM 0 H ILE A 77 -1.188 -1.216 -4.981 1.00 0.00 H new ATOM 0 HA ILE A 77 0.838 -2.152 -6.767 1.00 0.00 H new ATOM 0 HB ILE A 77 0.786 -1.718 -3.753 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.289 -0.034 -5.740 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.561 0.205 -5.567 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.245 -1.825 -3.873 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.496 -3.367 -4.351 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.138 -2.267 -5.594 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.807 1.754 -4.142 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.848 0.629 -3.152 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.602 0.386 -3.327 1.00 0.00 H new ATOM 1094 N PHE A 78 -0.511 -4.219 -4.582 1.00 0.00 N ATOM 1095 CA PHE A 78 -0.651 -5.625 -4.221 1.00 0.00 C ATOM 1096 C PHE A 78 -1.166 -6.442 -5.402 1.00 0.00 C ATOM 1097 O PHE A 78 -0.860 -7.629 -5.532 1.00 0.00 O ATOM 1098 CB PHE A 78 -1.599 -5.777 -3.030 1.00 0.00 C ATOM 1099 CG PHE A 78 -1.958 -7.203 -2.725 1.00 0.00 C ATOM 1100 CD1 PHE A 78 -1.178 -7.958 -1.864 1.00 0.00 C ATOM 1101 CD2 PHE A 78 -3.073 -7.788 -3.301 1.00 0.00 C ATOM 1102 CE1 PHE A 78 -1.506 -9.271 -1.581 1.00 0.00 C ATOM 1103 CE2 PHE A 78 -3.406 -9.100 -3.023 1.00 0.00 C ATOM 1104 CZ PHE A 78 -2.621 -9.843 -2.162 1.00 0.00 C ATOM 0 H PHE A 78 -1.132 -3.589 -4.074 1.00 0.00 H new ATOM 0 HA PHE A 78 0.333 -6.001 -3.943 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.137 -5.331 -2.149 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.512 -5.216 -3.229 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.304 -7.516 -1.409 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.690 -7.212 -3.975 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.891 -9.849 -0.907 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -4.279 -9.544 -3.478 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.879 -10.869 -1.944 1.00 0.00 H new ATOM 1113 N HIS A 79 -1.950 -5.800 -6.261 1.00 0.00 N ATOM 1114 CA HIS A 79 -2.509 -6.465 -7.433 1.00 0.00 C ATOM 1115 C HIS A 79 -1.556 -6.363 -8.621 1.00 0.00 C ATOM 1116 O HIS A 79 -1.464 -7.280 -9.435 1.00 0.00 O ATOM 1117 CB HIS A 79 -3.863 -5.855 -7.796 1.00 0.00 C ATOM 1118 CG HIS A 79 -4.921 -6.875 -8.084 1.00 0.00 C ATOM 1119 ND1 HIS A 79 -5.057 -7.490 -9.311 1.00 0.00 N ATOM 1120 CD2 HIS A 79 -5.895 -7.388 -7.297 1.00 0.00 C ATOM 1121 CE1 HIS A 79 -6.072 -8.337 -9.265 1.00 0.00 C ATOM 1122 NE2 HIS A 79 -6.596 -8.293 -8.054 1.00 0.00 N ATOM 0 H HIS A 79 -2.213 -4.819 -6.168 1.00 0.00 H new ATOM 0 HA HIS A 79 -2.648 -7.518 -7.190 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.197 -5.218 -6.977 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -3.741 -5.213 -8.669 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -6.085 -7.133 -6.265 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -6.414 -8.959 -10.079 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -7.393 -8.843 -7.733 1.00 0.00 H new ATOM 1129 N GLY A 80 -0.851 -5.240 -8.714 1.00 0.00 N ATOM 1130 CA GLY A 80 0.083 -5.038 -9.806 1.00 0.00 C ATOM 1131 C GLY A 80 -0.614 -4.883 -11.143 1.00 0.00 C ATOM 1132 O GLY A 80 -0.352 -5.640 -12.079 1.00 0.00 O ATOM 0 H GLY A 80 -0.910 -4.466 -8.052 1.00 0.00 H new ATOM 0 HA2 GLY A 80 0.683 -4.150 -9.607 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.770 -5.883 -9.854 1.00 0.00 H new ATOM 1136 N LEU A 81 -1.503 -3.901 -11.234 1.00 0.00 N ATOM 1137 CA LEU A 81 -2.242 -3.650 -12.467 1.00 0.00 C ATOM 1138 C LEU A 81 -1.603 -2.515 -13.263 1.00 0.00 C ATOM 1139 O LEU A 81 -1.693 -1.348 -12.882 1.00 0.00 O ATOM 1140 CB LEU A 81 -3.699 -3.309 -12.152 1.00 0.00 C ATOM 1141 CG LEU A 81 -4.682 -4.481 -12.174 1.00 0.00 C ATOM 1142 CD1 LEU A 81 -5.712 -4.333 -11.066 1.00 0.00 C ATOM 1143 CD2 LEU A 81 -5.364 -4.577 -13.532 1.00 0.00 C ATOM 0 H LEU A 81 -1.730 -3.265 -10.469 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.210 -4.557 -13.071 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.738 -2.846 -11.166 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.040 -2.561 -12.869 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.126 -5.403 -12.003 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.403 -5.175 -11.097 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.207 -4.313 -10.100 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.266 -3.404 -11.205 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.060 -5.416 -13.531 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.908 -3.654 -13.732 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.613 -4.730 -14.307 1.00 0.00 H new ATOM 1154 N LYS A 82 -0.960 -2.865 -14.371 1.00 0.00 N ATOM 1155 CA LYS A 82 -0.309 -1.878 -15.224 1.00 0.00 C ATOM 1156 C LYS A 82 -1.287 -0.780 -15.629 1.00 0.00 C ATOM 1157 O LYS A 82 -1.200 0.351 -15.150 1.00 0.00 O ATOM 1158 CB LYS A 82 0.266 -2.551 -16.472 1.00 0.00 C ATOM 1159 CG LYS A 82 1.685 -3.060 -16.290 1.00 0.00 C ATOM 1160 CD LYS A 82 2.464 -3.015 -17.594 1.00 0.00 C ATOM 1161 CE LYS A 82 3.281 -4.282 -17.798 1.00 0.00 C ATOM 1162 NZ LYS A 82 4.419 -4.063 -18.734 1.00 0.00 N ATOM 0 H LYS A 82 -0.876 -3.827 -14.700 1.00 0.00 H new ATOM 0 HA LYS A 82 0.504 -1.425 -14.657 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -0.377 -3.385 -16.753 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.247 -1.841 -17.299 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.195 -2.457 -15.539 1.00 0.00 H new ATOM 0 HG3 LYS A 82 1.660 -4.083 -15.915 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.773 -2.888 -18.428 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.126 -2.149 -17.594 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.662 -4.627 -16.837 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.637 -5.071 -18.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.951 -4.949 -18.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.054 -3.758 -19.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 5.047 -3.328 -18.351 1.00 0.00 H new TER 1172 LYS A 82