USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 640 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 78 ASN : amide:sc= 0.568 K(o=1.8,f=-12!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ 172:sc= 1.24 (180deg=0) USER MOD Set 2.1: A 5 HIS : no HE2:sc= 0.722 K(o=0.79,f=-5!) USER MOD Set 2.2: A 6 SER OG : rot 180:sc= 0.0633 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot -179:sc= -0.476 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -75:sc= -0.856 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 122:sc= 0.854 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -154:sc= -1.16! USER MOD Single : A 46 HIS : no HD1:sc= -4.1! C(o=-4.1!,f=-9.1!) USER MOD Single : A 50 SER OG : rot 180:sc= 0.00728 USER MOD Single : A 54 TYR OH : rot -130:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 136:sc= 0.958 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -168:sc= 1.24 (180deg=1.04) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.138 X(o=-0.14,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 4 8.900 11.072 -3.446 1.00 0.00 N ATOM 36 CA LYS A 4 7.642 11.688 -3.140 1.00 0.00 C ATOM 37 C LYS A 4 7.806 12.745 -2.071 1.00 0.00 C ATOM 38 O LYS A 4 8.888 12.885 -1.480 1.00 0.00 O ATOM 39 CB LYS A 4 6.659 10.592 -2.664 1.00 0.00 C ATOM 40 CG LYS A 4 7.210 9.642 -1.562 1.00 0.00 C ATOM 41 CD LYS A 4 7.366 10.294 -0.193 1.00 0.00 C ATOM 42 CE LYS A 4 8.218 9.452 0.712 1.00 0.00 C ATOM 43 NZ LYS A 4 8.356 10.018 2.078 1.00 0.00 N ATOM 0 HA LYS A 4 7.251 12.177 -4.032 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.757 11.074 -2.288 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.364 9.992 -3.525 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.542 8.786 -1.470 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.179 9.258 -1.881 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.815 11.281 -0.306 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.384 10.440 0.258 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.787 8.453 0.781 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.208 9.342 0.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.954 9.392 2.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.794 10.960 2.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.417 10.099 2.517 1.00 0.00 H new ATOM 57 N HIS A 5 6.751 13.481 -1.820 1.00 0.00 N ATOM 58 CA HIS A 5 6.729 14.384 -0.689 1.00 0.00 C ATOM 59 C HIS A 5 5.985 13.677 0.461 1.00 0.00 C ATOM 60 O HIS A 5 6.179 13.988 1.626 1.00 0.00 O ATOM 61 CB HIS A 5 6.073 15.759 -1.040 1.00 0.00 C ATOM 62 CG HIS A 5 4.584 15.725 -1.252 1.00 0.00 C ATOM 63 ND1 HIS A 5 3.974 15.372 -2.430 1.00 0.00 N ATOM 64 CD2 HIS A 5 3.583 15.956 -0.372 1.00 0.00 C ATOM 65 CE1 HIS A 5 2.663 15.385 -2.234 1.00 0.00 C ATOM 66 NE2 HIS A 5 2.367 15.735 -1.000 1.00 0.00 N ATOM 0 H HIS A 5 5.898 13.475 -2.379 1.00 0.00 H new ATOM 0 HA HIS A 5 7.751 14.618 -0.390 1.00 0.00 H new ATOM 0 HB2 HIS A 5 6.293 16.463 -0.238 1.00 0.00 H new ATOM 0 HB3 HIS A 5 6.543 16.147 -1.943 1.00 0.00 H new ATOM 0 HD1 HIS A 5 4.447 15.140 -3.304 1.00 0.00 H new ATOM 0 HD2 HIS A 5 3.711 16.263 0.655 1.00 0.00 H new ATOM 0 HE1 HIS A 5 1.932 15.140 -2.990 1.00 0.00 H new ATOM 74 N SER A 6 5.146 12.696 0.087 1.00 0.00 N ATOM 75 CA SER A 6 4.368 11.896 1.023 1.00 0.00 C ATOM 76 C SER A 6 3.707 10.782 0.221 1.00 0.00 C ATOM 77 O SER A 6 3.999 10.638 -0.971 1.00 0.00 O ATOM 78 CB SER A 6 3.281 12.761 1.660 1.00 0.00 C ATOM 79 OG SER A 6 2.313 13.163 0.684 1.00 0.00 O ATOM 0 H SER A 6 4.994 12.440 -0.889 1.00 0.00 H new ATOM 0 HA SER A 6 5.007 11.494 1.810 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.789 12.205 2.459 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.732 13.642 2.116 1.00 0.00 H new ATOM 0 HG SER A 6 1.626 13.714 1.113 1.00 0.00 H new ATOM 85 N ILE A 7 2.817 10.022 0.842 1.00 0.00 N ATOM 86 CA ILE A 7 2.062 9.006 0.129 1.00 0.00 C ATOM 87 C ILE A 7 1.107 9.678 -0.863 1.00 0.00 C ATOM 88 O ILE A 7 0.845 9.153 -1.941 1.00 0.00 O ATOM 89 CB ILE A 7 1.230 8.104 1.080 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.550 6.983 0.269 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.217 8.929 1.866 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.312 6.059 1.074 1.00 0.00 C ATOM 0 H ILE A 7 2.601 10.090 1.837 1.00 0.00 H new ATOM 0 HA ILE A 7 2.786 8.376 -0.387 1.00 0.00 H new ATOM 0 HB ILE A 7 1.896 7.642 1.809 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.060 7.437 -0.512 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.321 6.396 -0.230 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.353 8.274 2.525 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.741 9.676 2.462 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.462 9.427 1.174 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.747 5.304 0.419 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.293 5.571 1.838 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.109 6.629 1.551 1.00 0.00 H new ATOM 104 N SER A 8 0.672 10.891 -0.518 1.00 0.00 N ATOM 105 CA SER A 8 -0.268 11.634 -1.311 1.00 0.00 C ATOM 106 C SER A 8 0.401 12.168 -2.577 1.00 0.00 C ATOM 107 O SER A 8 -0.218 12.847 -3.381 1.00 0.00 O ATOM 108 CB SER A 8 -0.874 12.772 -0.478 1.00 0.00 C ATOM 109 OG SER A 8 -1.437 12.286 0.739 1.00 0.00 O ATOM 0 H SER A 8 0.973 11.376 0.328 1.00 0.00 H new ATOM 0 HA SER A 8 -1.075 10.970 -1.619 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.104 13.511 -0.255 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.644 13.280 -1.059 1.00 0.00 H new ATOM 0 HG SER A 8 -1.827 13.032 1.240 1.00 0.00 H new ATOM 115 N ASP A 9 1.690 11.894 -2.716 1.00 0.00 N ATOM 116 CA ASP A 9 2.404 12.216 -3.942 1.00 0.00 C ATOM 117 C ASP A 9 2.167 11.123 -4.992 1.00 0.00 C ATOM 118 O ASP A 9 2.314 11.353 -6.186 1.00 0.00 O ATOM 119 CB ASP A 9 3.886 12.342 -3.675 1.00 0.00 C ATOM 120 CG ASP A 9 4.616 13.034 -4.793 1.00 0.00 C ATOM 121 OD1 ASP A 9 4.539 14.272 -4.853 1.00 0.00 O ATOM 122 OD2 ASP A 9 5.306 12.379 -5.586 1.00 0.00 O ATOM 0 H ASP A 9 2.261 11.451 -1.997 1.00 0.00 H new ATOM 0 HA ASP A 9 2.028 13.168 -4.317 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.039 12.895 -2.748 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.311 11.349 -3.528 1.00 0.00 H new ATOM 127 N TYR A 10 1.781 9.946 -4.529 1.00 0.00 N ATOM 128 CA TYR A 10 1.479 8.823 -5.409 1.00 0.00 C ATOM 129 C TYR A 10 0.013 8.845 -5.727 1.00 0.00 C ATOM 130 O TYR A 10 -0.787 9.085 -4.839 1.00 0.00 O ATOM 131 CB TYR A 10 1.746 7.473 -4.710 1.00 0.00 C ATOM 132 CG TYR A 10 3.183 7.117 -4.428 1.00 0.00 C ATOM 133 CD1 TYR A 10 3.920 6.418 -5.364 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.795 7.444 -3.222 1.00 0.00 C ATOM 135 CE1 TYR A 10 5.223 6.058 -5.119 1.00 0.00 C ATOM 136 CE2 TYR A 10 5.096 7.085 -2.973 1.00 0.00 C ATOM 137 CZ TYR A 10 5.806 6.392 -3.920 1.00 0.00 C ATOM 138 OH TYR A 10 7.118 6.039 -3.668 1.00 0.00 O ATOM 0 H TYR A 10 1.668 9.739 -3.537 1.00 0.00 H new ATOM 0 HA TYR A 10 2.106 8.917 -6.296 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.205 7.469 -3.764 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.317 6.683 -5.326 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.464 6.150 -6.305 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.239 7.987 -2.472 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.786 5.516 -5.864 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.560 7.348 -2.034 1.00 0.00 H new ATOM 0 HH TYR A 10 7.375 6.352 -2.776 1.00 0.00 H new ATOM 148 N THR A 11 -0.359 8.625 -6.967 1.00 0.00 N ATOM 149 CA THR A 11 -1.770 8.454 -7.279 1.00 0.00 C ATOM 150 C THR A 11 -2.231 7.095 -6.760 1.00 0.00 C ATOM 151 O THR A 11 -1.389 6.263 -6.350 1.00 0.00 O ATOM 152 CB THR A 11 -2.051 8.524 -8.795 1.00 0.00 C ATOM 153 OG1 THR A 11 -1.128 7.703 -9.503 1.00 0.00 O ATOM 154 CG2 THR A 11 -2.001 9.940 -9.314 1.00 0.00 C ATOM 0 H THR A 11 0.275 8.560 -7.764 1.00 0.00 H new ATOM 0 HA THR A 11 -2.313 9.269 -6.800 1.00 0.00 H new ATOM 0 HB THR A 11 -3.063 8.153 -8.960 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.252 8.141 -9.527 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.204 9.942 -10.385 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.751 10.542 -8.801 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.012 10.360 -9.132 1.00 0.00 H new ATOM 162 N GLU A 12 -3.534 6.844 -6.793 1.00 0.00 N ATOM 163 CA GLU A 12 -4.067 5.572 -6.370 1.00 0.00 C ATOM 164 C GLU A 12 -3.467 4.490 -7.243 1.00 0.00 C ATOM 165 O GLU A 12 -3.074 3.456 -6.761 1.00 0.00 O ATOM 166 CB GLU A 12 -5.594 5.546 -6.483 1.00 0.00 C ATOM 167 CG GLU A 12 -6.228 4.281 -5.916 1.00 0.00 C ATOM 168 CD GLU A 12 -7.715 4.237 -6.112 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.432 5.014 -5.456 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.194 3.424 -6.931 1.00 0.00 O ATOM 0 H GLU A 12 -4.236 7.512 -7.111 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.810 5.405 -5.324 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.003 6.412 -5.962 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.874 5.643 -7.532 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.778 3.410 -6.392 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.004 4.214 -4.851 1.00 0.00 H new ATOM 177 N ALA A 13 -3.321 4.799 -8.520 1.00 0.00 N ATOM 178 CA ALA A 13 -2.771 3.867 -9.487 1.00 0.00 C ATOM 179 C ALA A 13 -1.293 3.562 -9.217 1.00 0.00 C ATOM 180 O ALA A 13 -0.874 2.419 -9.310 1.00 0.00 O ATOM 181 CB ALA A 13 -2.962 4.386 -10.894 1.00 0.00 C ATOM 0 H ALA A 13 -3.581 5.703 -8.915 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.318 2.930 -9.382 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.543 3.673 -11.605 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.026 4.514 -11.093 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.455 5.345 -11.000 1.00 0.00 H new ATOM 187 N GLU A 14 -0.511 4.582 -8.877 1.00 0.00 N ATOM 188 CA GLU A 14 0.925 4.399 -8.572 1.00 0.00 C ATOM 189 C GLU A 14 1.106 3.669 -7.270 1.00 0.00 C ATOM 190 O GLU A 14 2.041 2.891 -7.099 1.00 0.00 O ATOM 191 CB GLU A 14 1.634 5.730 -8.488 1.00 0.00 C ATOM 192 CG GLU A 14 1.632 6.520 -9.761 1.00 0.00 C ATOM 193 CD GLU A 14 2.156 7.899 -9.537 1.00 0.00 C ATOM 194 OE1 GLU A 14 1.354 8.794 -9.168 1.00 0.00 O ATOM 195 OE2 GLU A 14 3.375 8.106 -9.689 1.00 0.00 O ATOM 0 H GLU A 14 -0.836 5.546 -8.803 1.00 0.00 H new ATOM 0 HA GLU A 14 1.356 3.811 -9.382 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.167 6.327 -7.705 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.667 5.558 -8.184 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.242 6.013 -10.509 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.618 6.573 -10.159 1.00 0.00 H new ATOM 202 N PHE A 15 0.231 3.922 -6.349 1.00 0.00 N ATOM 203 CA PHE A 15 0.268 3.233 -5.097 1.00 0.00 C ATOM 204 C PHE A 15 -0.222 1.828 -5.290 1.00 0.00 C ATOM 205 O PHE A 15 0.222 0.935 -4.658 1.00 0.00 O ATOM 206 CB PHE A 15 -0.529 3.959 -4.041 1.00 0.00 C ATOM 207 CG PHE A 15 -0.446 3.316 -2.702 1.00 0.00 C ATOM 208 CD1 PHE A 15 0.619 3.582 -1.869 1.00 0.00 C ATOM 209 CD2 PHE A 15 -1.436 2.450 -2.272 1.00 0.00 C ATOM 210 CE1 PHE A 15 0.698 2.996 -0.637 1.00 0.00 C ATOM 211 CE2 PHE A 15 -1.365 1.867 -1.042 1.00 0.00 C ATOM 212 CZ PHE A 15 -0.296 2.138 -0.225 1.00 0.00 C ATOM 0 H PHE A 15 -0.522 4.604 -6.441 1.00 0.00 H new ATOM 0 HA PHE A 15 1.298 3.202 -4.741 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.172 4.986 -3.967 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.573 4.006 -4.351 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.397 4.258 -2.192 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.274 2.234 -2.918 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.537 3.205 0.010 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.145 1.196 -0.712 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.234 1.674 0.749 1.00 0.00 H new ATOM 222 N LEU A 16 -1.121 1.648 -6.177 1.00 0.00 N ATOM 223 CA LEU A 16 -1.614 0.332 -6.493 1.00 0.00 C ATOM 224 C LEU A 16 -0.516 -0.462 -7.191 1.00 0.00 C ATOM 225 O LEU A 16 -0.519 -1.682 -7.216 1.00 0.00 O ATOM 226 CB LEU A 16 -2.865 0.484 -7.323 1.00 0.00 C ATOM 227 CG LEU A 16 -3.763 -0.684 -7.375 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.174 -0.251 -7.083 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.733 -1.284 -8.693 1.00 0.00 C ATOM 0 H LEU A 16 -1.549 2.400 -6.717 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.879 -0.229 -5.597 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.430 1.332 -6.937 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.571 0.734 -8.342 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.428 -1.409 -6.634 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.836 -1.116 -7.122 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.219 0.196 -6.090 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.491 0.482 -7.825 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.401 -2.145 -8.716 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.058 -0.553 -9.433 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.717 -1.606 -8.923 1.00 0.00 H new ATOM 241 N GLU A 17 0.420 0.248 -7.730 1.00 0.00 N ATOM 242 CA GLU A 17 1.610 -0.356 -8.243 1.00 0.00 C ATOM 243 C GLU A 17 2.546 -0.772 -7.108 1.00 0.00 C ATOM 244 O GLU A 17 3.392 -1.620 -7.314 1.00 0.00 O ATOM 245 CB GLU A 17 2.352 0.534 -9.221 1.00 0.00 C ATOM 246 CG GLU A 17 1.637 0.761 -10.520 1.00 0.00 C ATOM 247 CD GLU A 17 2.473 1.541 -11.489 1.00 0.00 C ATOM 248 OE1 GLU A 17 3.472 1.001 -11.997 1.00 0.00 O ATOM 249 OE2 GLU A 17 2.161 2.713 -11.761 1.00 0.00 O ATOM 0 H GLU A 17 0.384 1.263 -7.828 1.00 0.00 H new ATOM 0 HA GLU A 17 1.287 -1.241 -8.791 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.535 1.499 -8.748 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.326 0.091 -9.429 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.371 -0.200 -10.961 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.705 1.294 -10.333 1.00 0.00 H new ATOM 256 N PHE A 18 2.377 -0.168 -5.903 1.00 0.00 N ATOM 257 CA PHE A 18 3.202 -0.522 -4.706 1.00 0.00 C ATOM 258 C PHE A 18 3.070 -1.991 -4.483 1.00 0.00 C ATOM 259 O PHE A 18 4.034 -2.728 -4.482 1.00 0.00 O ATOM 260 CB PHE A 18 2.775 0.287 -3.366 1.00 0.00 C ATOM 261 CG PHE A 18 1.971 -0.475 -2.222 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.578 -0.640 -2.261 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.633 -1.005 -1.125 1.00 0.00 C ATOM 264 CE1 PHE A 18 -0.103 -1.314 -1.235 1.00 0.00 C ATOM 265 CE2 PHE A 18 1.950 -1.671 -0.109 1.00 0.00 C ATOM 266 CZ PHE A 18 0.589 -1.822 -0.171 1.00 0.00 C ATOM 0 H PHE A 18 1.685 0.561 -5.730 1.00 0.00 H new ATOM 0 HA PHE A 18 4.235 -0.237 -4.907 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.686 0.684 -2.918 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.174 1.142 -3.676 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.020 -0.241 -3.095 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.706 -0.899 -1.056 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.175 -1.431 -1.286 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.496 -2.071 0.732 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.065 -2.341 0.618 1.00 0.00 H new ATOM 276 N VAL A 19 1.851 -2.394 -4.424 1.00 0.00 N ATOM 277 CA VAL A 19 1.491 -3.742 -4.106 1.00 0.00 C ATOM 278 C VAL A 19 1.802 -4.700 -5.252 1.00 0.00 C ATOM 279 O VAL A 19 2.286 -5.811 -5.030 1.00 0.00 O ATOM 280 CB VAL A 19 0.013 -3.814 -3.640 1.00 0.00 C ATOM 281 CG1 VAL A 19 -0.939 -3.252 -4.664 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.376 -5.200 -3.193 1.00 0.00 C ATOM 0 H VAL A 19 1.051 -1.785 -4.599 1.00 0.00 H new ATOM 0 HA VAL A 19 2.108 -4.074 -3.271 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.068 -3.172 -2.763 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.960 -3.326 -4.290 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.696 -2.206 -4.852 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.851 -3.817 -5.592 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.419 -5.201 -2.876 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.248 -5.898 -4.020 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.257 -5.504 -2.359 1.00 0.00 H new ATOM 292 N LYS A 20 1.570 -4.249 -6.464 1.00 0.00 N ATOM 293 CA LYS A 20 1.887 -5.034 -7.640 1.00 0.00 C ATOM 294 C LYS A 20 3.395 -5.288 -7.726 1.00 0.00 C ATOM 295 O LYS A 20 3.836 -6.382 -8.107 1.00 0.00 O ATOM 296 CB LYS A 20 1.386 -4.328 -8.878 1.00 0.00 C ATOM 297 CG LYS A 20 -0.097 -4.490 -9.051 1.00 0.00 C ATOM 298 CD LYS A 20 -0.693 -3.375 -9.847 1.00 0.00 C ATOM 299 CE LYS A 20 -2.124 -3.668 -10.213 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.253 -4.575 -11.362 1.00 0.00 N ATOM 0 H LYS A 20 1.160 -3.337 -6.664 1.00 0.00 H new ATOM 0 HA LYS A 20 1.389 -6.001 -7.567 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.631 -3.268 -8.816 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.899 -4.723 -9.755 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.303 -5.439 -9.546 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.574 -4.531 -8.072 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.644 -2.449 -9.273 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.108 -3.219 -10.754 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.630 -4.107 -9.353 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.634 -2.731 -10.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.260 -4.738 -11.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.797 -4.149 -12.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.793 -5.482 -11.142 1.00 0.00 H new ATOM 314 N LYS A 21 4.167 -4.267 -7.342 1.00 0.00 N ATOM 315 CA LYS A 21 5.619 -4.330 -7.286 1.00 0.00 C ATOM 316 C LYS A 21 6.051 -5.303 -6.201 1.00 0.00 C ATOM 317 O LYS A 21 6.917 -6.127 -6.420 1.00 0.00 O ATOM 318 CB LYS A 21 6.211 -2.928 -7.005 1.00 0.00 C ATOM 319 CG LYS A 21 7.732 -2.887 -6.925 1.00 0.00 C ATOM 320 CD LYS A 21 8.263 -1.503 -6.540 1.00 0.00 C ATOM 321 CE LYS A 21 7.913 -0.440 -7.577 1.00 0.00 C ATOM 322 NZ LYS A 21 8.529 0.872 -7.272 1.00 0.00 N ATOM 0 H LYS A 21 3.789 -3.363 -7.058 1.00 0.00 H new ATOM 0 HA LYS A 21 5.992 -4.678 -8.249 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.883 -2.246 -7.789 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.801 -2.556 -6.066 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.074 -3.620 -6.194 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.151 -3.178 -7.888 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.851 -1.214 -5.573 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.346 -1.551 -6.423 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.244 -0.773 -8.561 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.830 -0.327 -7.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.262 1.560 -8.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.194 1.206 -6.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.564 0.773 -7.251 1.00 0.00 H new ATOM 336 N ILE A 22 5.418 -5.217 -5.047 1.00 0.00 N ATOM 337 CA ILE A 22 5.744 -6.097 -3.928 1.00 0.00 C ATOM 338 C ILE A 22 5.440 -7.552 -4.278 1.00 0.00 C ATOM 339 O ILE A 22 6.202 -8.445 -3.954 1.00 0.00 O ATOM 340 CB ILE A 22 4.993 -5.684 -2.634 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.335 -4.238 -2.296 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.368 -6.604 -1.469 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.658 -3.704 -1.076 1.00 0.00 C ATOM 0 H ILE A 22 4.673 -4.547 -4.854 1.00 0.00 H new ATOM 0 HA ILE A 22 6.813 -5.998 -3.737 1.00 0.00 H new ATOM 0 HB ILE A 22 3.920 -5.776 -2.802 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.414 -4.156 -2.161 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.071 -3.609 -3.146 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.829 -6.295 -0.573 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.101 -7.632 -1.716 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.441 -6.541 -1.287 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.962 -2.670 -0.915 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.577 -3.748 -1.211 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.940 -4.304 -0.211 1.00 0.00 H new ATOM 355 N CYS A 23 4.348 -7.775 -4.981 1.00 0.00 N ATOM 356 CA CYS A 23 3.958 -9.114 -5.401 1.00 0.00 C ATOM 357 C CYS A 23 5.035 -9.739 -6.323 1.00 0.00 C ATOM 358 O CYS A 23 5.252 -10.950 -6.313 1.00 0.00 O ATOM 359 CB CYS A 23 2.593 -9.061 -6.115 1.00 0.00 C ATOM 360 SG CYS A 23 1.899 -10.669 -6.564 1.00 0.00 S ATOM 0 H CYS A 23 3.706 -7.040 -5.278 1.00 0.00 H new ATOM 0 HA CYS A 23 3.869 -9.746 -4.517 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.883 -8.544 -5.470 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.697 -8.462 -7.020 1.00 0.00 H new ATOM 0 HG CYS A 23 0.753 -10.498 -7.154 1.00 0.00 H new ATOM 366 N ARG A 24 5.722 -8.898 -7.083 1.00 0.00 N ATOM 367 CA ARG A 24 6.738 -9.355 -8.020 1.00 0.00 C ATOM 368 C ARG A 24 8.167 -9.201 -7.464 1.00 0.00 C ATOM 369 O ARG A 24 9.142 -9.429 -8.173 1.00 0.00 O ATOM 370 CB ARG A 24 6.586 -8.654 -9.370 1.00 0.00 C ATOM 371 CG ARG A 24 6.843 -7.174 -9.349 1.00 0.00 C ATOM 372 CD ARG A 24 6.517 -6.565 -10.680 1.00 0.00 C ATOM 373 NE ARG A 24 6.897 -5.149 -10.739 1.00 0.00 N ATOM 374 CZ ARG A 24 6.287 -4.208 -11.483 1.00 0.00 C ATOM 375 NH1 ARG A 24 5.185 -4.504 -12.180 1.00 0.00 N ATOM 376 NH2 ARG A 24 6.783 -2.971 -11.516 1.00 0.00 N ATOM 0 H ARG A 24 5.592 -7.886 -7.068 1.00 0.00 H new ATOM 0 HA ARG A 24 6.579 -10.423 -8.169 1.00 0.00 H new ATOM 0 HB2 ARG A 24 7.270 -9.116 -10.082 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.576 -8.827 -9.741 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.241 -6.705 -8.571 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.887 -6.984 -9.102 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.035 -7.113 -11.467 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.449 -6.663 -10.873 1.00 0.00 H new ATOM 0 HE ARG A 24 7.689 -4.853 -10.169 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.801 -5.448 -12.150 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.728 -3.785 -12.742 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.620 -2.743 -10.979 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.326 -2.253 -12.078 1.00 0.00 H new ATOM 390 N ALA A 25 8.287 -8.838 -6.193 1.00 0.00 N ATOM 391 CA ALA A 25 9.595 -8.545 -5.562 1.00 0.00 C ATOM 392 C ALA A 25 10.363 -9.808 -5.136 1.00 0.00 C ATOM 393 O ALA A 25 11.322 -9.734 -4.369 1.00 0.00 O ATOM 394 CB ALA A 25 9.401 -7.626 -4.369 1.00 0.00 C ATOM 0 H ALA A 25 7.492 -8.735 -5.562 1.00 0.00 H new ATOM 0 HA ALA A 25 10.204 -8.053 -6.320 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.367 -7.416 -3.911 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.945 -6.693 -4.699 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.751 -8.109 -3.639 1.00 0.00 H new ATOM 400 N GLU A 26 10.013 -10.938 -5.712 1.00 0.00 N ATOM 401 CA GLU A 26 10.626 -12.227 -5.379 1.00 0.00 C ATOM 402 C GLU A 26 11.975 -12.405 -6.096 1.00 0.00 C ATOM 403 O GLU A 26 12.262 -13.475 -6.662 1.00 0.00 O ATOM 404 CB GLU A 26 9.706 -13.348 -5.800 1.00 0.00 C ATOM 405 CG GLU A 26 8.340 -13.308 -5.192 1.00 0.00 C ATOM 406 CD GLU A 26 7.536 -14.482 -5.629 1.00 0.00 C ATOM 407 OE1 GLU A 26 7.059 -14.487 -6.756 1.00 0.00 O ATOM 408 OE2 GLU A 26 7.410 -15.451 -4.859 1.00 0.00 O ATOM 0 H GLU A 26 9.292 -10.999 -6.430 1.00 0.00 H new ATOM 0 HA GLU A 26 10.793 -12.251 -4.302 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.605 -13.326 -6.885 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.174 -14.298 -5.542 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.420 -13.300 -4.105 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.834 -12.387 -5.481 1.00 0.00 H new ATOM 415 N GLY A 27 12.794 -11.390 -6.036 1.00 0.00 N ATOM 416 CA GLY A 27 14.063 -11.413 -6.693 1.00 0.00 C ATOM 417 C GLY A 27 15.090 -12.200 -5.930 1.00 0.00 C ATOM 418 O GLY A 27 15.453 -13.304 -6.326 1.00 0.00 O ATOM 0 H GLY A 27 12.596 -10.527 -5.530 1.00 0.00 H new ATOM 0 HA2 GLY A 27 13.946 -11.843 -7.688 1.00 0.00 H new ATOM 0 HA3 GLY A 27 14.418 -10.391 -6.827 1.00 0.00 H new ATOM 422 N ALA A 28 15.567 -11.635 -4.849 1.00 0.00 N ATOM 423 CA ALA A 28 16.584 -12.285 -4.049 1.00 0.00 C ATOM 424 C ALA A 28 15.955 -13.175 -2.997 1.00 0.00 C ATOM 425 O ALA A 28 16.066 -14.403 -3.053 1.00 0.00 O ATOM 426 CB ALA A 28 17.505 -11.252 -3.410 1.00 0.00 C ATOM 0 H ALA A 28 15.269 -10.724 -4.499 1.00 0.00 H new ATOM 0 HA ALA A 28 17.184 -12.915 -4.705 1.00 0.00 H new ATOM 0 HB1 ALA A 28 18.262 -11.760 -2.813 1.00 0.00 H new ATOM 0 HB2 ALA A 28 17.991 -10.666 -4.190 1.00 0.00 H new ATOM 0 HB3 ALA A 28 16.921 -10.591 -2.770 1.00 0.00 H new ATOM 432 N THR A 29 15.266 -12.561 -2.072 1.00 0.00 N ATOM 433 CA THR A 29 14.634 -13.261 -0.986 1.00 0.00 C ATOM 434 C THR A 29 13.417 -12.416 -0.599 1.00 0.00 C ATOM 435 O THR A 29 13.286 -11.294 -1.100 1.00 0.00 O ATOM 436 CB THR A 29 15.587 -13.351 0.266 1.00 0.00 C ATOM 437 OG1 THR A 29 16.976 -13.444 -0.132 1.00 0.00 O ATOM 438 CG2 THR A 29 15.253 -14.578 1.100 1.00 0.00 C ATOM 0 H THR A 29 15.127 -11.551 -2.051 1.00 0.00 H new ATOM 0 HA THR A 29 14.376 -14.276 -1.288 1.00 0.00 H new ATOM 0 HB THR A 29 15.436 -12.442 0.848 1.00 0.00 H new ATOM 0 HG1 THR A 29 17.479 -12.700 0.260 1.00 0.00 H new ATOM 0 HG21 THR A 29 15.920 -14.626 1.961 1.00 0.00 H new ATOM 0 HG22 THR A 29 14.221 -14.514 1.444 1.00 0.00 H new ATOM 0 HG23 THR A 29 15.378 -15.475 0.494 1.00 0.00 H new ATOM 446 N GLU A 30 12.577 -12.915 0.313 1.00 0.00 N ATOM 447 CA GLU A 30 11.391 -12.192 0.837 1.00 0.00 C ATOM 448 C GLU A 30 11.770 -10.875 1.557 1.00 0.00 C ATOM 449 O GLU A 30 10.899 -10.092 1.979 1.00 0.00 O ATOM 450 CB GLU A 30 10.601 -13.109 1.772 1.00 0.00 C ATOM 451 CG GLU A 30 11.426 -13.662 2.922 1.00 0.00 C ATOM 452 CD GLU A 30 10.642 -14.584 3.807 1.00 0.00 C ATOM 453 OE1 GLU A 30 10.557 -15.783 3.509 1.00 0.00 O ATOM 454 OE2 GLU A 30 10.098 -14.131 4.830 1.00 0.00 O ATOM 0 H GLU A 30 12.694 -13.843 0.720 1.00 0.00 H new ATOM 0 HA GLU A 30 10.770 -11.914 -0.015 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.753 -12.557 2.177 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.195 -13.940 1.195 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.288 -14.196 2.521 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.812 -12.835 3.518 1.00 0.00 H new ATOM 461 N GLU A 31 13.070 -10.660 1.705 1.00 0.00 N ATOM 462 CA GLU A 31 13.631 -9.446 2.262 1.00 0.00 C ATOM 463 C GLU A 31 13.346 -8.287 1.309 1.00 0.00 C ATOM 464 O GLU A 31 13.151 -7.149 1.733 1.00 0.00 O ATOM 465 CB GLU A 31 15.164 -9.609 2.418 1.00 0.00 C ATOM 466 CG GLU A 31 15.908 -9.765 1.080 1.00 0.00 C ATOM 467 CD GLU A 31 17.381 -10.021 1.214 1.00 0.00 C ATOM 468 OE1 GLU A 31 17.772 -11.195 1.353 1.00 0.00 O ATOM 469 OE2 GLU A 31 18.180 -9.057 1.140 1.00 0.00 O ATOM 0 H GLU A 31 13.777 -11.344 1.433 1.00 0.00 H new ATOM 0 HA GLU A 31 13.185 -9.248 3.237 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.561 -8.742 2.946 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.366 -10.481 3.040 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.458 -10.586 0.522 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.761 -8.861 0.489 1.00 0.00 H new ATOM 476 N ASP A 32 13.270 -8.614 0.018 1.00 0.00 N ATOM 477 CA ASP A 32 13.128 -7.628 -1.037 1.00 0.00 C ATOM 478 C ASP A 32 11.724 -7.088 -0.977 1.00 0.00 C ATOM 479 O ASP A 32 11.497 -5.871 -1.056 1.00 0.00 O ATOM 480 CB ASP A 32 13.402 -8.290 -2.396 1.00 0.00 C ATOM 481 CG ASP A 32 13.881 -7.320 -3.456 1.00 0.00 C ATOM 482 OD1 ASP A 32 13.071 -6.655 -4.134 1.00 0.00 O ATOM 483 OD2 ASP A 32 15.116 -7.205 -3.633 1.00 0.00 O ATOM 0 H ASP A 32 13.306 -9.576 -0.319 1.00 0.00 H new ATOM 0 HA ASP A 32 13.840 -6.813 -0.909 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.150 -9.072 -2.266 1.00 0.00 H new ATOM 0 HB3 ASP A 32 12.491 -8.776 -2.745 1.00 0.00 H new ATOM 488 N ASP A 33 10.799 -8.013 -0.778 1.00 0.00 N ATOM 489 CA ASP A 33 9.384 -7.731 -0.582 1.00 0.00 C ATOM 490 C ASP A 33 9.219 -6.845 0.631 1.00 0.00 C ATOM 491 O ASP A 33 8.683 -5.736 0.550 1.00 0.00 O ATOM 492 CB ASP A 33 8.617 -9.032 -0.282 1.00 0.00 C ATOM 493 CG ASP A 33 8.785 -10.124 -1.297 1.00 0.00 C ATOM 494 OD1 ASP A 33 9.879 -10.718 -1.359 1.00 0.00 O ATOM 495 OD2 ASP A 33 7.814 -10.439 -2.007 1.00 0.00 O ATOM 0 H ASP A 33 11.017 -9.009 -0.747 1.00 0.00 H new ATOM 0 HA ASP A 33 9.002 -7.257 -1.486 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.939 -9.408 0.689 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.556 -8.797 -0.197 1.00 0.00 H new ATOM 500 N ASN A 34 9.732 -7.337 1.755 1.00 0.00 N ATOM 501 CA ASN A 34 9.594 -6.699 3.054 1.00 0.00 C ATOM 502 C ASN A 34 10.138 -5.283 3.075 1.00 0.00 C ATOM 503 O ASN A 34 9.475 -4.380 3.576 1.00 0.00 O ATOM 504 CB ASN A 34 10.259 -7.552 4.129 1.00 0.00 C ATOM 505 CG ASN A 34 10.215 -6.949 5.521 1.00 0.00 C ATOM 506 OD1 ASN A 34 9.272 -6.250 5.900 1.00 0.00 O ATOM 507 ND2 ASN A 34 11.231 -7.209 6.285 1.00 0.00 N ATOM 0 H ASN A 34 10.264 -8.206 1.786 1.00 0.00 H new ATOM 0 HA ASN A 34 8.527 -6.621 3.264 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.774 -8.528 4.153 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.300 -7.720 3.851 1.00 0.00 H new ATOM 0 HD21 ASN A 34 11.267 -6.831 7.232 1.00 0.00 H new ATOM 0 HD22 ASN A 34 11.994 -7.791 5.939 1.00 0.00 H new ATOM 514 N LYS A 35 11.312 -5.056 2.495 1.00 0.00 N ATOM 515 CA LYS A 35 11.876 -3.716 2.526 1.00 0.00 C ATOM 516 C LYS A 35 11.061 -2.726 1.705 1.00 0.00 C ATOM 517 O LYS A 35 11.064 -1.526 1.994 1.00 0.00 O ATOM 518 CB LYS A 35 13.379 -3.665 2.204 1.00 0.00 C ATOM 519 CG LYS A 35 13.807 -4.167 0.846 1.00 0.00 C ATOM 520 CD LYS A 35 15.319 -4.072 0.731 1.00 0.00 C ATOM 521 CE LYS A 35 15.835 -4.620 -0.578 1.00 0.00 C ATOM 522 NZ LYS A 35 17.304 -4.518 -0.664 1.00 0.00 N ATOM 0 H LYS A 35 11.874 -5.758 2.013 1.00 0.00 H new ATOM 0 HA LYS A 35 11.803 -3.395 3.565 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.712 -2.632 2.303 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.907 -4.244 2.961 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.484 -5.199 0.708 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.333 -3.577 0.061 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.623 -3.030 0.830 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.778 -4.617 1.556 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.535 -5.663 -0.681 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.382 -4.075 -1.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 17.626 -4.903 -1.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.588 -3.520 -0.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.736 -5.059 0.112 1.00 0.00 H new ATOM 536 N LEU A 36 10.333 -3.225 0.716 1.00 0.00 N ATOM 537 CA LEU A 36 9.426 -2.377 -0.029 1.00 0.00 C ATOM 538 C LEU A 36 8.220 -2.085 0.841 1.00 0.00 C ATOM 539 O LEU A 36 7.820 -0.937 0.992 1.00 0.00 O ATOM 540 CB LEU A 36 8.986 -3.027 -1.345 1.00 0.00 C ATOM 541 CG LEU A 36 10.081 -3.267 -2.381 1.00 0.00 C ATOM 542 CD1 LEU A 36 9.508 -3.959 -3.602 1.00 0.00 C ATOM 543 CD2 LEU A 36 10.747 -1.956 -2.779 1.00 0.00 C ATOM 0 H LEU A 36 10.354 -4.200 0.417 1.00 0.00 H new ATOM 0 HA LEU A 36 9.942 -1.453 -0.289 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.518 -3.984 -1.114 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.219 -2.398 -1.797 1.00 0.00 H new ATOM 0 HG LEU A 36 10.838 -3.912 -1.935 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.300 -4.124 -4.332 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.079 -4.917 -3.309 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.732 -3.334 -4.044 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.524 -2.152 -3.518 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.002 -1.284 -3.205 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.192 -1.492 -1.899 1.00 0.00 H new ATOM 555 N VAL A 37 7.689 -3.134 1.465 1.00 0.00 N ATOM 556 CA VAL A 37 6.540 -3.018 2.369 1.00 0.00 C ATOM 557 C VAL A 37 6.818 -1.972 3.456 1.00 0.00 C ATOM 558 O VAL A 37 5.971 -1.146 3.756 1.00 0.00 O ATOM 559 CB VAL A 37 6.193 -4.381 3.055 1.00 0.00 C ATOM 560 CG1 VAL A 37 4.987 -4.230 3.959 1.00 0.00 C ATOM 561 CG2 VAL A 37 5.912 -5.455 2.029 1.00 0.00 C ATOM 0 H VAL A 37 8.039 -4.086 1.361 1.00 0.00 H new ATOM 0 HA VAL A 37 5.689 -2.711 1.761 1.00 0.00 H new ATOM 0 HB VAL A 37 7.059 -4.677 3.647 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.761 -5.188 4.427 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.201 -3.491 4.731 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.130 -3.903 3.371 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.674 -6.390 2.537 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.068 -5.154 1.409 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.791 -5.597 1.401 1.00 0.00 H new ATOM 571 N ARG A 38 8.028 -1.993 4.000 1.00 0.00 N ATOM 572 CA ARG A 38 8.409 -1.072 5.068 1.00 0.00 C ATOM 573 C ARG A 38 8.296 0.395 4.665 1.00 0.00 C ATOM 574 O ARG A 38 7.807 1.197 5.442 1.00 0.00 O ATOM 575 CB ARG A 38 9.807 -1.352 5.609 1.00 0.00 C ATOM 576 CG ARG A 38 9.972 -2.732 6.207 1.00 0.00 C ATOM 577 CD ARG A 38 11.322 -2.889 6.876 1.00 0.00 C ATOM 578 NE ARG A 38 12.454 -2.569 5.974 1.00 0.00 N ATOM 579 CZ ARG A 38 13.621 -3.235 5.935 1.00 0.00 C ATOM 580 NH1 ARG A 38 13.791 -4.341 6.669 1.00 0.00 N ATOM 581 NH2 ARG A 38 14.610 -2.793 5.150 1.00 0.00 N ATOM 0 H ARG A 38 8.766 -2.639 3.720 1.00 0.00 H new ATOM 0 HA ARG A 38 7.686 -1.255 5.863 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.529 -1.229 4.802 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.047 -0.608 6.368 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.181 -2.911 6.935 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.862 -3.484 5.426 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.366 -2.240 7.750 1.00 0.00 H new ATOM 0 HD3 ARG A 38 11.428 -3.913 7.234 1.00 0.00 H new ATOM 0 HE ARG A 38 12.339 -1.783 5.334 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.033 -4.682 7.261 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.678 -4.843 6.636 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.477 -1.954 4.585 1.00 0.00 H new ATOM 0 HH22 ARG A 38 15.498 -3.295 5.117 1.00 0.00 H new ATOM 595 N GLU A 39 8.718 0.750 3.449 1.00 0.00 N ATOM 596 CA GLU A 39 8.658 2.154 3.047 1.00 0.00 C ATOM 597 C GLU A 39 7.221 2.573 2.834 1.00 0.00 C ATOM 598 O GLU A 39 6.799 3.626 3.307 1.00 0.00 O ATOM 599 CB GLU A 39 9.533 2.477 1.805 1.00 0.00 C ATOM 600 CG GLU A 39 9.114 1.818 0.492 1.00 0.00 C ATOM 601 CD GLU A 39 10.014 2.193 -0.660 1.00 0.00 C ATOM 602 OE1 GLU A 39 11.180 1.744 -0.689 1.00 0.00 O ATOM 603 OE2 GLU A 39 9.600 2.983 -1.542 1.00 0.00 O ATOM 0 H GLU A 39 9.092 0.110 2.749 1.00 0.00 H new ATOM 0 HA GLU A 39 9.083 2.738 3.864 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.536 3.557 1.660 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.559 2.182 2.024 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.120 0.735 0.615 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.089 2.106 0.256 1.00 0.00 H new ATOM 610 N PHE A 40 6.460 1.709 2.200 1.00 0.00 N ATOM 611 CA PHE A 40 5.087 1.992 1.885 1.00 0.00 C ATOM 612 C PHE A 40 4.225 2.054 3.133 1.00 0.00 C ATOM 613 O PHE A 40 3.395 2.942 3.265 1.00 0.00 O ATOM 614 CB PHE A 40 4.548 1.003 0.861 1.00 0.00 C ATOM 615 CG PHE A 40 5.194 1.130 -0.505 1.00 0.00 C ATOM 616 CD1 PHE A 40 5.060 2.295 -1.246 1.00 0.00 C ATOM 617 CD2 PHE A 40 5.925 0.087 -1.045 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.649 2.412 -2.492 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.513 0.195 -2.288 1.00 0.00 C ATOM 620 CZ PHE A 40 6.375 1.357 -3.013 1.00 0.00 C ATOM 0 H PHE A 40 6.780 0.791 1.890 1.00 0.00 H new ATOM 0 HA PHE A 40 5.046 2.982 1.432 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.700 -0.010 1.232 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.472 1.148 0.760 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.489 3.120 -0.846 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.037 -0.828 -0.483 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.542 3.326 -3.057 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.081 -0.630 -2.692 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.833 1.444 -3.987 1.00 0.00 H new ATOM 630 N GLU A 41 4.479 1.166 4.070 1.00 0.00 N ATOM 631 CA GLU A 41 3.749 1.144 5.317 1.00 0.00 C ATOM 632 C GLU A 41 4.005 2.341 6.222 1.00 0.00 C ATOM 633 O GLU A 41 3.238 2.616 7.134 1.00 0.00 O ATOM 634 CB GLU A 41 3.861 -0.201 6.020 1.00 0.00 C ATOM 635 CG GLU A 41 2.937 -1.197 5.351 1.00 0.00 C ATOM 636 CD GLU A 41 1.568 -0.576 5.249 1.00 0.00 C ATOM 637 OE1 GLU A 41 0.898 -0.517 6.289 1.00 0.00 O ATOM 638 OE2 GLU A 41 1.171 -0.110 4.177 1.00 0.00 O ATOM 0 H GLU A 41 5.194 0.443 3.989 1.00 0.00 H new ATOM 0 HA GLU A 41 2.700 1.260 5.045 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.890 -0.560 5.981 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.600 -0.096 7.073 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.311 -1.457 4.361 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.893 -2.121 5.927 1.00 0.00 H new ATOM 645 N ARG A 42 5.067 3.061 5.961 1.00 0.00 N ATOM 646 CA ARG A 42 5.348 4.305 6.685 1.00 0.00 C ATOM 647 C ARG A 42 4.640 5.456 6.011 1.00 0.00 C ATOM 648 O ARG A 42 4.394 6.505 6.608 1.00 0.00 O ATOM 649 CB ARG A 42 6.831 4.566 6.715 1.00 0.00 C ATOM 650 CG ARG A 42 7.592 3.526 7.461 1.00 0.00 C ATOM 651 CD ARG A 42 9.070 3.760 7.347 1.00 0.00 C ATOM 652 NE ARG A 42 9.836 2.758 8.085 1.00 0.00 N ATOM 653 CZ ARG A 42 11.099 2.407 7.823 1.00 0.00 C ATOM 654 NH1 ARG A 42 11.801 3.073 6.904 1.00 0.00 N ATOM 655 NH2 ARG A 42 11.666 1.416 8.501 1.00 0.00 N ATOM 0 H ARG A 42 5.761 2.818 5.254 1.00 0.00 H new ATOM 0 HA ARG A 42 4.987 4.208 7.709 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.205 4.618 5.693 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.014 5.539 7.172 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.298 3.537 8.510 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.345 2.539 7.071 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.361 3.740 6.297 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.311 4.753 7.725 1.00 0.00 H new ATOM 0 HE ARG A 42 9.370 2.289 8.862 1.00 0.00 H new ATOM 0 HH11 ARG A 42 11.374 3.851 6.401 1.00 0.00 H new ATOM 0 HH12 ARG A 42 12.765 2.804 6.705 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.138 0.923 9.221 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.630 1.148 8.302 1.00 0.00 H new ATOM 669 N LEU A 43 4.348 5.264 4.766 1.00 0.00 N ATOM 670 CA LEU A 43 3.643 6.244 3.980 1.00 0.00 C ATOM 671 C LEU A 43 2.157 6.155 4.288 1.00 0.00 C ATOM 672 O LEU A 43 1.461 7.162 4.400 1.00 0.00 O ATOM 673 CB LEU A 43 3.918 6.001 2.488 1.00 0.00 C ATOM 674 CG LEU A 43 5.388 6.013 2.081 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.542 5.754 0.595 1.00 0.00 C ATOM 676 CD2 LEU A 43 6.037 7.326 2.469 1.00 0.00 C ATOM 0 H LEU A 43 4.591 4.416 4.254 1.00 0.00 H new ATOM 0 HA LEU A 43 3.989 7.247 4.229 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.490 5.038 2.210 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.393 6.762 1.911 1.00 0.00 H new ATOM 0 HG LEU A 43 5.895 5.209 2.615 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.599 5.768 0.331 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.119 4.780 0.350 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.018 6.528 0.035 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.085 7.316 2.171 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.525 8.147 1.967 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.968 7.461 3.548 1.00 0.00 H new ATOM 688 N THR A 44 1.696 4.952 4.470 1.00 0.00 N ATOM 689 CA THR A 44 0.317 4.694 4.767 1.00 0.00 C ATOM 690 C THR A 44 0.045 4.898 6.237 1.00 0.00 C ATOM 691 O THR A 44 -1.014 5.428 6.615 1.00 0.00 O ATOM 692 CB THR A 44 -0.013 3.246 4.392 1.00 0.00 C ATOM 693 OG1 THR A 44 0.882 2.381 5.075 1.00 0.00 O ATOM 694 CG2 THR A 44 0.172 3.064 2.930 1.00 0.00 C ATOM 0 H THR A 44 2.273 4.113 4.416 1.00 0.00 H new ATOM 0 HA THR A 44 -0.303 5.384 4.195 1.00 0.00 H new ATOM 0 HB THR A 44 -1.043 3.019 4.667 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.984 1.549 4.567 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.062 2.034 2.659 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.492 3.741 2.392 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.206 3.283 2.664 1.00 0.00 H new ATOM 702 N GLU A 45 1.033 4.473 7.061 1.00 0.00 N ATOM 703 CA GLU A 45 0.936 4.430 8.517 1.00 0.00 C ATOM 704 C GLU A 45 -0.158 3.443 8.858 1.00 0.00 C ATOM 705 O GLU A 45 -0.792 3.499 9.925 1.00 0.00 O ATOM 706 CB GLU A 45 0.655 5.811 9.114 1.00 0.00 C ATOM 707 CG GLU A 45 1.704 6.840 8.775 1.00 0.00 C ATOM 708 CD GLU A 45 1.485 8.161 9.462 1.00 0.00 C ATOM 709 OE1 GLU A 45 1.877 8.312 10.639 1.00 0.00 O ATOM 710 OE2 GLU A 45 0.946 9.089 8.837 1.00 0.00 O ATOM 0 H GLU A 45 1.934 4.146 6.712 1.00 0.00 H new ATOM 0 HA GLU A 45 1.886 4.115 8.949 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.314 6.161 8.758 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.583 5.721 10.198 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.685 6.453 9.051 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.715 6.996 7.696 1.00 0.00 H new ATOM 717 N HIS A 46 -0.330 2.495 7.947 1.00 0.00 N ATOM 718 CA HIS A 46 -1.373 1.552 8.033 1.00 0.00 C ATOM 719 C HIS A 46 -0.963 0.396 8.980 1.00 0.00 C ATOM 720 O HIS A 46 0.182 -0.033 9.005 1.00 0.00 O ATOM 721 CB HIS A 46 -1.802 1.067 6.607 1.00 0.00 C ATOM 722 CG HIS A 46 -3.070 0.292 6.614 1.00 0.00 C ATOM 723 ND1 HIS A 46 -3.145 -1.013 6.975 1.00 0.00 N ATOM 724 CD2 HIS A 46 -4.341 0.717 6.488 1.00 0.00 C ATOM 725 CE1 HIS A 46 -4.426 -1.328 7.110 1.00 0.00 C ATOM 726 NE2 HIS A 46 -5.198 -0.319 6.811 1.00 0.00 N ATOM 0 H HIS A 46 0.270 2.380 7.130 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.256 2.019 8.469 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.915 1.932 5.954 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -1.008 0.451 6.185 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.643 1.708 6.183 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.785 -2.296 7.427 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.218 -0.299 6.815 1.00 0.00 H new ATOM 734 N PRO A 47 -1.885 -0.046 9.814 1.00 0.00 N ATOM 735 CA PRO A 47 -1.658 -1.100 10.803 1.00 0.00 C ATOM 736 C PRO A 47 -1.473 -2.470 10.221 1.00 0.00 C ATOM 737 O PRO A 47 -0.559 -3.207 10.581 1.00 0.00 O ATOM 738 CB PRO A 47 -2.948 -1.093 11.599 1.00 0.00 C ATOM 739 CG PRO A 47 -3.954 -0.414 10.768 1.00 0.00 C ATOM 740 CD PRO A 47 -3.221 0.511 9.915 1.00 0.00 C ATOM 0 HA PRO A 47 -0.743 -0.905 11.362 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -3.263 -2.110 11.834 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.815 -0.573 12.548 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.515 -1.133 10.171 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.676 0.117 11.388 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.688 0.597 8.934 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.199 1.512 10.346 1.00 0.00 H new ATOM 748 N ASP A 48 -2.300 -2.789 9.291 1.00 0.00 N ATOM 749 CA ASP A 48 -2.390 -4.122 8.804 1.00 0.00 C ATOM 750 C ASP A 48 -1.775 -4.149 7.462 1.00 0.00 C ATOM 751 O ASP A 48 -1.919 -5.090 6.760 1.00 0.00 O ATOM 752 CB ASP A 48 -3.861 -4.577 8.641 1.00 0.00 C ATOM 753 CG ASP A 48 -4.758 -4.275 9.816 1.00 0.00 C ATOM 754 OD1 ASP A 48 -4.656 -4.961 10.858 1.00 0.00 O ATOM 755 OD2 ASP A 48 -5.574 -3.335 9.712 1.00 0.00 O ATOM 0 H ASP A 48 -2.937 -2.131 8.843 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.893 -4.783 9.514 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.277 -4.099 7.754 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.875 -5.652 8.460 1.00 0.00 H new ATOM 760 N GLY A 49 -1.086 -3.083 7.124 1.00 0.00 N ATOM 761 CA GLY A 49 -0.551 -2.916 5.752 1.00 0.00 C ATOM 762 C GLY A 49 0.332 -4.003 5.315 1.00 0.00 C ATOM 763 O GLY A 49 0.172 -4.538 4.217 1.00 0.00 O ATOM 0 H GLY A 49 -0.873 -2.314 7.759 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.386 -2.839 5.055 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.004 -1.975 5.699 1.00 0.00 H new ATOM 767 N SER A 50 1.245 -4.345 6.146 1.00 0.00 N ATOM 768 CA SER A 50 2.096 -5.480 5.847 1.00 0.00 C ATOM 769 C SER A 50 1.263 -6.766 5.747 1.00 0.00 C ATOM 770 O SER A 50 1.403 -7.538 4.796 1.00 0.00 O ATOM 771 CB SER A 50 3.236 -5.599 6.853 1.00 0.00 C ATOM 772 OG SER A 50 2.765 -5.418 8.191 1.00 0.00 O ATOM 0 H SER A 50 1.436 -3.876 7.031 1.00 0.00 H new ATOM 0 HA SER A 50 2.560 -5.319 4.874 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.707 -6.578 6.759 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.001 -4.855 6.630 1.00 0.00 H new ATOM 0 HG SER A 50 3.515 -5.501 8.816 1.00 0.00 H new ATOM 778 N ASP A 51 0.337 -6.927 6.682 1.00 0.00 N ATOM 779 CA ASP A 51 -0.568 -8.076 6.719 1.00 0.00 C ATOM 780 C ASP A 51 -1.400 -8.169 5.462 1.00 0.00 C ATOM 781 O ASP A 51 -1.572 -9.229 4.950 1.00 0.00 O ATOM 782 CB ASP A 51 -1.499 -8.031 7.936 1.00 0.00 C ATOM 783 CG ASP A 51 -0.797 -8.297 9.234 1.00 0.00 C ATOM 784 OD1 ASP A 51 -0.187 -7.368 9.803 1.00 0.00 O ATOM 785 OD2 ASP A 51 -0.853 -9.439 9.725 1.00 0.00 O ATOM 0 H ASP A 51 0.189 -6.263 7.442 1.00 0.00 H new ATOM 0 HA ASP A 51 0.065 -8.960 6.794 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.976 -7.052 7.983 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.293 -8.766 7.804 1.00 0.00 H new ATOM 790 N LEU A 52 -1.850 -7.026 4.949 1.00 0.00 N ATOM 791 CA LEU A 52 -2.710 -6.930 3.746 1.00 0.00 C ATOM 792 C LEU A 52 -2.158 -7.703 2.583 1.00 0.00 C ATOM 793 O LEU A 52 -2.893 -8.352 1.850 1.00 0.00 O ATOM 794 CB LEU A 52 -2.867 -5.463 3.294 1.00 0.00 C ATOM 795 CG LEU A 52 -3.493 -4.506 4.288 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.602 -3.117 3.692 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.846 -5.006 4.732 1.00 0.00 C ATOM 0 H LEU A 52 -1.630 -6.117 5.357 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.672 -7.352 4.037 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.881 -5.081 3.030 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.468 -5.450 2.385 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.848 -4.452 5.165 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.054 -2.443 4.420 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.608 -2.754 3.430 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.223 -3.153 2.797 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.277 -4.304 5.445 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.503 -5.094 3.867 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.736 -5.982 5.205 1.00 0.00 H new ATOM 809 N ILE A 53 -0.864 -7.663 2.449 1.00 0.00 N ATOM 810 CA ILE A 53 -0.222 -8.228 1.295 1.00 0.00 C ATOM 811 C ILE A 53 -0.065 -9.719 1.466 1.00 0.00 C ATOM 812 O ILE A 53 -0.276 -10.507 0.537 1.00 0.00 O ATOM 813 CB ILE A 53 1.166 -7.571 1.096 1.00 0.00 C ATOM 814 CG1 ILE A 53 1.003 -6.045 1.063 1.00 0.00 C ATOM 815 CG2 ILE A 53 1.823 -8.072 -0.197 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.301 -5.286 1.058 1.00 0.00 C ATOM 0 H ILE A 53 -0.229 -7.243 3.128 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.839 -8.038 0.417 1.00 0.00 H new ATOM 0 HB ILE A 53 1.815 -7.846 1.927 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.432 -5.771 0.176 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.417 -5.735 1.928 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.797 -7.598 -0.318 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.950 -9.153 -0.145 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.190 -7.821 -1.048 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.096 -4.216 1.034 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.867 -5.527 1.958 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.882 -5.564 0.179 1.00 0.00 H new ATOM 828 N TYR A 54 0.238 -10.097 2.660 1.00 0.00 N ATOM 829 CA TYR A 54 0.589 -11.445 2.957 1.00 0.00 C ATOM 830 C TYR A 54 -0.597 -12.303 3.414 1.00 0.00 C ATOM 831 O TYR A 54 -0.686 -13.483 3.066 1.00 0.00 O ATOM 832 CB TYR A 54 1.702 -11.441 3.991 1.00 0.00 C ATOM 833 CG TYR A 54 2.967 -10.749 3.515 1.00 0.00 C ATOM 834 CD1 TYR A 54 3.698 -11.259 2.452 1.00 0.00 C ATOM 835 CD2 TYR A 54 3.420 -9.586 4.122 1.00 0.00 C ATOM 836 CE1 TYR A 54 4.844 -10.632 2.009 1.00 0.00 C ATOM 837 CE2 TYR A 54 4.564 -8.945 3.691 1.00 0.00 C ATOM 838 CZ TYR A 54 5.273 -9.476 2.625 1.00 0.00 C ATOM 839 OH TYR A 54 6.418 -8.857 2.176 1.00 0.00 O ATOM 0 H TYR A 54 0.250 -9.473 3.467 1.00 0.00 H new ATOM 0 HA TYR A 54 0.933 -11.912 2.034 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.346 -10.948 4.895 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.940 -12.470 4.262 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.364 -12.162 1.963 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.864 -9.173 4.951 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.403 -11.045 1.183 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.902 -8.042 4.178 1.00 0.00 H new ATOM 0 HH TYR A 54 7.009 -8.672 2.935 1.00 0.00 H new ATOM 849 N TYR A 55 -1.497 -11.721 4.168 1.00 0.00 N ATOM 850 CA TYR A 55 -2.604 -12.439 4.749 1.00 0.00 C ATOM 851 C TYR A 55 -3.894 -11.620 4.595 1.00 0.00 C ATOM 852 O TYR A 55 -4.060 -10.581 5.252 1.00 0.00 O ATOM 853 CB TYR A 55 -2.350 -12.703 6.252 1.00 0.00 C ATOM 854 CG TYR A 55 -0.999 -13.325 6.566 1.00 0.00 C ATOM 855 CD1 TYR A 55 -0.737 -14.662 6.292 1.00 0.00 C ATOM 856 CD2 TYR A 55 0.021 -12.557 7.119 1.00 0.00 C ATOM 857 CE1 TYR A 55 0.501 -15.215 6.565 1.00 0.00 C ATOM 858 CE2 TYR A 55 1.259 -13.100 7.389 1.00 0.00 C ATOM 859 CZ TYR A 55 1.496 -14.427 7.114 1.00 0.00 C ATOM 860 OH TYR A 55 2.738 -14.966 7.369 1.00 0.00 O ATOM 0 H TYR A 55 -1.481 -10.727 4.397 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.706 -13.392 4.230 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.436 -11.760 6.792 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.134 -13.359 6.630 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -1.511 -15.278 5.860 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.161 -11.516 7.341 1.00 0.00 H new ATOM 0 HE1 TYR A 55 0.690 -16.257 6.351 1.00 0.00 H new ATOM 0 HE2 TYR A 55 2.039 -12.486 7.814 1.00 0.00 H new ATOM 0 HH TYR A 55 3.321 -14.278 7.753 1.00 0.00 H new ATOM 870 N PRO A 56 -4.791 -12.051 3.689 1.00 0.00 N ATOM 871 CA PRO A 56 -6.105 -11.425 3.482 1.00 0.00 C ATOM 872 C PRO A 56 -6.856 -11.301 4.805 1.00 0.00 C ATOM 873 O PRO A 56 -6.842 -12.230 5.623 1.00 0.00 O ATOM 874 CB PRO A 56 -6.829 -12.404 2.561 1.00 0.00 C ATOM 875 CG PRO A 56 -5.745 -13.134 1.855 1.00 0.00 C ATOM 876 CD PRO A 56 -4.573 -13.174 2.787 1.00 0.00 C ATOM 0 HA PRO A 56 -6.031 -10.419 3.069 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.461 -13.087 3.128 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -7.476 -11.880 1.858 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.065 -14.142 1.593 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.482 -12.631 0.925 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.529 -14.118 3.330 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.632 -13.073 2.247 1.00 0.00 H new ATOM 884 N ARG A 57 -7.519 -10.179 5.004 1.00 0.00 N ATOM 885 CA ARG A 57 -8.129 -9.896 6.289 1.00 0.00 C ATOM 886 C ARG A 57 -9.448 -10.627 6.552 1.00 0.00 C ATOM 887 O ARG A 57 -9.492 -11.858 6.613 1.00 0.00 O ATOM 888 CB ARG A 57 -8.272 -8.395 6.530 1.00 0.00 C ATOM 889 CG ARG A 57 -6.957 -7.649 6.605 1.00 0.00 C ATOM 890 CD ARG A 57 -7.191 -6.229 7.058 1.00 0.00 C ATOM 891 NE ARG A 57 -7.789 -6.190 8.392 1.00 0.00 N ATOM 892 CZ ARG A 57 -8.731 -5.326 8.786 1.00 0.00 C ATOM 893 NH1 ARG A 57 -9.282 -4.490 7.901 1.00 0.00 N ATOM 894 NH2 ARG A 57 -9.151 -5.330 10.057 1.00 0.00 N ATOM 0 H ARG A 57 -7.649 -9.453 4.299 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.428 -10.303 7.018 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.875 -7.966 5.730 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.819 -8.238 7.460 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.283 -8.153 7.297 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.472 -7.652 5.629 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.246 -5.686 7.065 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.845 -5.722 6.349 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.463 -6.874 9.074 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.984 -4.511 6.926 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.000 -3.831 8.201 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.753 -5.991 10.724 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.869 -4.672 10.359 1.00 0.00 H new ATOM 908 N ASP A 58 -10.509 -9.880 6.661 1.00 0.00 N ATOM 909 CA ASP A 58 -11.795 -10.438 7.033 1.00 0.00 C ATOM 910 C ASP A 58 -12.776 -10.327 5.901 1.00 0.00 C ATOM 911 O ASP A 58 -13.168 -11.324 5.306 1.00 0.00 O ATOM 912 CB ASP A 58 -12.320 -9.727 8.292 1.00 0.00 C ATOM 913 CG ASP A 58 -13.700 -10.164 8.733 1.00 0.00 C ATOM 914 OD1 ASP A 58 -13.822 -11.206 9.418 1.00 0.00 O ATOM 915 OD2 ASP A 58 -14.684 -9.447 8.442 1.00 0.00 O ATOM 0 H ASP A 58 -10.517 -8.873 6.498 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.671 -11.498 7.254 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.620 -9.900 9.109 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.335 -8.653 8.107 1.00 0.00 H new ATOM 920 N ASP A 59 -13.125 -9.116 5.569 1.00 0.00 N ATOM 921 CA ASP A 59 -14.103 -8.869 4.515 1.00 0.00 C ATOM 922 C ASP A 59 -13.396 -8.401 3.269 1.00 0.00 C ATOM 923 O ASP A 59 -13.938 -8.440 2.169 1.00 0.00 O ATOM 924 CB ASP A 59 -15.113 -7.806 4.968 1.00 0.00 C ATOM 925 CG ASP A 59 -16.220 -7.573 3.960 1.00 0.00 C ATOM 926 OD1 ASP A 59 -17.147 -8.398 3.887 1.00 0.00 O ATOM 927 OD2 ASP A 59 -16.198 -6.566 3.230 1.00 0.00 O ATOM 0 H ASP A 59 -12.753 -8.273 6.007 1.00 0.00 H new ATOM 0 HA ASP A 59 -14.638 -9.795 4.303 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.552 -8.112 5.918 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.589 -6.867 5.147 1.00 0.00 H new ATOM 932 N ARG A 60 -12.161 -8.014 3.453 1.00 0.00 N ATOM 933 CA ARG A 60 -11.370 -7.449 2.428 1.00 0.00 C ATOM 934 C ARG A 60 -10.932 -8.492 1.404 1.00 0.00 C ATOM 935 O ARG A 60 -10.585 -9.634 1.750 1.00 0.00 O ATOM 936 CB ARG A 60 -10.177 -6.797 3.072 1.00 0.00 C ATOM 937 CG ARG A 60 -9.256 -6.096 2.135 1.00 0.00 C ATOM 938 CD ARG A 60 -9.947 -4.915 1.453 1.00 0.00 C ATOM 939 NE ARG A 60 -10.422 -3.921 2.420 1.00 0.00 N ATOM 940 CZ ARG A 60 -11.419 -3.037 2.221 1.00 0.00 C ATOM 941 NH1 ARG A 60 -12.215 -3.129 1.152 1.00 0.00 N ATOM 942 NH2 ARG A 60 -11.635 -2.092 3.123 1.00 0.00 N ATOM 0 H ARG A 60 -11.679 -8.091 4.348 1.00 0.00 H new ATOM 0 HA ARG A 60 -11.959 -6.713 1.881 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -10.531 -6.080 3.813 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.612 -7.559 3.609 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -8.381 -5.742 2.680 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -8.900 -6.797 1.380 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.253 -4.442 0.758 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -10.789 -5.279 0.864 1.00 0.00 H new ATOM 0 HE ARG A 60 -9.955 -3.896 3.326 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -12.072 -3.876 0.473 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -12.966 -2.452 1.015 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.050 -2.039 3.957 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -12.387 -1.417 2.984 1.00 0.00 H new ATOM 956 N GLU A 61 -10.959 -8.079 0.173 1.00 0.00 N ATOM 957 CA GLU A 61 -10.569 -8.895 -0.954 1.00 0.00 C ATOM 958 C GLU A 61 -9.058 -8.930 -1.065 1.00 0.00 C ATOM 959 O GLU A 61 -8.372 -7.945 -0.755 1.00 0.00 O ATOM 960 CB GLU A 61 -11.165 -8.321 -2.251 1.00 0.00 C ATOM 961 CG GLU A 61 -10.858 -9.123 -3.514 1.00 0.00 C ATOM 962 CD GLU A 61 -11.349 -10.543 -3.435 1.00 0.00 C ATOM 963 OE1 GLU A 61 -10.614 -11.420 -2.899 1.00 0.00 O ATOM 964 OE2 GLU A 61 -12.464 -10.819 -3.904 1.00 0.00 O ATOM 0 H GLU A 61 -11.260 -7.141 -0.090 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.945 -9.907 -0.803 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.247 -8.253 -2.136 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.794 -7.305 -2.385 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.317 -8.632 -4.372 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.782 -9.124 -3.686 1.00 0.00 H new ATOM 971 N ASP A 62 -8.555 -10.039 -1.511 1.00 0.00 N ATOM 972 CA ASP A 62 -7.148 -10.204 -1.721 1.00 0.00 C ATOM 973 C ASP A 62 -6.820 -9.961 -3.167 1.00 0.00 C ATOM 974 O ASP A 62 -6.887 -10.862 -3.999 1.00 0.00 O ATOM 975 CB ASP A 62 -6.666 -11.586 -1.273 1.00 0.00 C ATOM 976 CG ASP A 62 -5.228 -11.889 -1.688 1.00 0.00 C ATOM 977 OD1 ASP A 62 -4.294 -11.215 -1.228 1.00 0.00 O ATOM 978 OD2 ASP A 62 -5.016 -12.826 -2.492 1.00 0.00 O ATOM 0 H ASP A 62 -9.112 -10.862 -1.742 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.622 -9.471 -1.109 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.746 -11.657 -0.188 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.325 -12.346 -1.692 1.00 0.00 H new ATOM 983 N SER A 63 -6.596 -8.731 -3.483 1.00 0.00 N ATOM 984 CA SER A 63 -6.176 -8.347 -4.789 1.00 0.00 C ATOM 985 C SER A 63 -5.293 -7.135 -4.607 1.00 0.00 C ATOM 986 O SER A 63 -5.371 -6.504 -3.541 1.00 0.00 O ATOM 987 CB SER A 63 -7.411 -8.010 -5.637 1.00 0.00 C ATOM 988 OG SER A 63 -8.151 -6.955 -5.053 1.00 0.00 O ATOM 0 H SER A 63 -6.701 -7.952 -2.833 1.00 0.00 H new ATOM 0 HA SER A 63 -5.633 -9.141 -5.301 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.101 -7.728 -6.643 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.043 -8.893 -5.734 1.00 0.00 H new ATOM 0 HG SER A 63 -8.415 -6.317 -5.748 1.00 0.00 H new ATOM 994 N PRO A 64 -4.413 -6.783 -5.573 1.00 0.00 N ATOM 995 CA PRO A 64 -3.610 -5.570 -5.461 1.00 0.00 C ATOM 996 C PRO A 64 -4.513 -4.332 -5.304 1.00 0.00 C ATOM 997 O PRO A 64 -4.165 -3.384 -4.611 1.00 0.00 O ATOM 998 CB PRO A 64 -2.784 -5.541 -6.775 1.00 0.00 C ATOM 999 CG PRO A 64 -2.768 -6.957 -7.224 1.00 0.00 C ATOM 1000 CD PRO A 64 -4.089 -7.545 -6.797 1.00 0.00 C ATOM 0 HA PRO A 64 -2.964 -5.560 -4.583 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.243 -4.892 -7.520 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.775 -5.166 -6.604 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.644 -7.022 -8.305 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -1.936 -7.499 -6.774 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.853 -7.420 -7.564 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.009 -8.614 -6.598 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.706 -4.394 -5.891 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.665 -3.313 -5.773 1.00 0.00 C ATOM 1010 C GLU A 65 -7.320 -3.316 -4.390 1.00 0.00 C ATOM 1011 O GLU A 65 -7.465 -2.273 -3.772 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.723 -3.376 -6.873 1.00 0.00 C ATOM 1013 CG GLU A 65 -7.151 -3.368 -8.281 1.00 0.00 C ATOM 1014 CD GLU A 65 -8.210 -3.269 -9.340 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -8.807 -4.301 -9.710 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -8.480 -2.158 -9.825 1.00 0.00 O ATOM 0 H GLU A 65 -6.026 -5.184 -6.452 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.120 -2.377 -5.894 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.319 -4.279 -6.739 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.399 -2.528 -6.762 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.462 -2.529 -8.383 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.571 -4.278 -8.438 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.672 -4.497 -3.901 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.290 -4.635 -2.589 1.00 0.00 C ATOM 1025 C GLY A 66 -7.359 -4.229 -1.462 1.00 0.00 C ATOM 1026 O GLY A 66 -7.792 -3.649 -0.462 1.00 0.00 O ATOM 0 H GLY A 66 -7.539 -5.379 -4.397 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.191 -4.023 -2.549 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.601 -5.670 -2.444 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.084 -4.521 -1.626 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.074 -4.116 -0.658 1.00 0.00 C ATOM 1032 C ILE A 67 -4.996 -2.591 -0.598 1.00 0.00 C ATOM 1033 O ILE A 67 -4.998 -1.995 0.492 1.00 0.00 O ATOM 1034 CB ILE A 67 -3.698 -4.746 -0.995 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -3.778 -6.267 -0.788 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -2.570 -4.128 -0.156 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.533 -7.019 -1.180 1.00 0.00 C ATOM 0 H ILE A 67 -5.718 -5.040 -2.424 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.361 -4.483 0.328 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.460 -4.536 -2.038 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.992 -6.467 0.262 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.618 -6.655 -1.364 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.622 -4.595 -0.421 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.515 -3.057 -0.353 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.772 -4.292 0.902 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.679 -8.084 -1.000 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.326 -6.855 -2.238 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.691 -6.663 -0.586 1.00 0.00 H new ATOM 1049 N VAL A 68 -4.982 -1.966 -1.769 1.00 0.00 N ATOM 1050 CA VAL A 68 -5.009 -0.518 -1.857 1.00 0.00 C ATOM 1051 C VAL A 68 -6.284 0.011 -1.249 1.00 0.00 C ATOM 1052 O VAL A 68 -6.257 0.947 -0.473 1.00 0.00 O ATOM 1053 CB VAL A 68 -4.882 -0.016 -3.319 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -5.130 1.500 -3.420 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.505 -0.332 -3.820 1.00 0.00 C ATOM 0 H VAL A 68 -4.952 -2.443 -2.670 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.148 -0.144 -1.303 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.636 -0.519 -3.925 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.033 1.816 -4.459 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.134 1.729 -3.063 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.399 2.030 -2.809 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.403 0.016 -4.848 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.766 0.167 -3.193 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.343 -1.409 -3.784 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.384 -0.641 -1.573 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.696 -0.252 -1.120 1.00 0.00 C ATOM 1067 C LYS A 69 -8.777 -0.183 0.391 1.00 0.00 C ATOM 1068 O LYS A 69 -9.370 0.748 0.927 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.737 -1.207 -1.632 1.00 0.00 C ATOM 1070 CG LYS A 69 -11.111 -0.599 -1.632 1.00 0.00 C ATOM 1071 CD LYS A 69 -11.646 -0.486 -3.047 1.00 0.00 C ATOM 1072 CE LYS A 69 -10.756 0.409 -3.933 1.00 0.00 C ATOM 1073 NZ LYS A 69 -11.260 0.484 -5.320 1.00 0.00 N ATOM 0 H LYS A 69 -7.386 -1.469 -2.169 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.886 0.745 -1.517 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.478 -1.516 -2.645 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.739 -2.106 -1.015 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.785 -1.210 -1.031 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.078 0.388 -1.170 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.714 -1.480 -3.489 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.657 -0.079 -3.021 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.712 1.412 -3.508 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.738 0.019 -3.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.635 1.095 -5.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.279 -0.470 -5.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.222 0.880 -5.319 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.158 -1.147 1.067 1.00 0.00 N ATOM 1088 CA GLU A 70 -8.139 -1.175 2.522 1.00 0.00 C ATOM 1089 C GLU A 70 -7.483 0.099 3.038 1.00 0.00 C ATOM 1090 O GLU A 70 -8.108 0.884 3.750 1.00 0.00 O ATOM 1091 CB GLU A 70 -7.360 -2.387 3.026 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.445 -2.583 4.531 1.00 0.00 C ATOM 1093 CD GLU A 70 -8.824 -2.963 4.977 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -9.690 -2.094 5.110 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -9.092 -4.154 5.158 1.00 0.00 O ATOM 0 H GLU A 70 -7.662 -1.921 0.626 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.164 -1.243 2.887 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.736 -3.282 2.530 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.313 -2.280 2.741 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.741 -3.358 4.835 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.144 -1.663 5.033 1.00 0.00 H new ATOM 1102 N ILE A 71 -6.246 0.311 2.605 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.452 1.475 2.957 1.00 0.00 C ATOM 1104 C ILE A 71 -6.161 2.777 2.581 1.00 0.00 C ATOM 1105 O ILE A 71 -6.158 3.751 3.332 1.00 0.00 O ATOM 1106 CB ILE A 71 -4.077 1.381 2.250 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -3.246 0.331 2.959 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.346 2.721 2.218 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -1.988 -0.028 2.259 1.00 0.00 C ATOM 0 H ILE A 71 -5.759 -0.337 1.986 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.312 1.487 4.038 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.238 1.098 1.210 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.002 0.692 3.958 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.848 -0.569 3.083 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.388 2.601 1.712 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.950 3.453 1.682 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.177 3.068 3.237 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.455 -0.785 2.834 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.222 -0.422 1.270 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.362 0.859 2.158 1.00 0.00 H new ATOM 1121 N LYS A 72 -6.774 2.761 1.436 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.466 3.896 0.879 1.00 0.00 C ATOM 1123 C LYS A 72 -8.659 4.279 1.765 1.00 0.00 C ATOM 1124 O LYS A 72 -8.708 5.390 2.295 1.00 0.00 O ATOM 1125 CB LYS A 72 -7.870 3.542 -0.582 1.00 0.00 C ATOM 1126 CG LYS A 72 -8.273 4.694 -1.489 1.00 0.00 C ATOM 1127 CD LYS A 72 -9.702 5.114 -1.345 1.00 0.00 C ATOM 1128 CE LYS A 72 -10.597 4.188 -2.133 1.00 0.00 C ATOM 1129 NZ LYS A 72 -12.007 4.610 -2.100 1.00 0.00 N ATOM 0 H LYS A 72 -6.810 1.934 0.841 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.825 4.777 0.850 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.033 3.022 -1.048 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.700 2.837 -0.542 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.631 5.550 -1.279 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.092 4.407 -2.525 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.989 5.102 -0.293 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.825 6.138 -1.697 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.256 4.150 -3.168 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.513 3.178 -1.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.606 3.847 -2.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.284 4.818 -1.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.128 5.463 -2.682 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.554 3.339 1.987 1.00 0.00 N ATOM 1144 CA GLU A 73 -10.759 3.593 2.770 1.00 0.00 C ATOM 1145 C GLU A 73 -10.452 3.857 4.236 1.00 0.00 C ATOM 1146 O GLU A 73 -11.095 4.698 4.869 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.736 2.436 2.613 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.269 2.308 1.202 1.00 0.00 C ATOM 1149 CD GLU A 73 -13.131 3.477 0.812 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -12.606 4.563 0.505 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -14.353 3.326 0.762 1.00 0.00 O ATOM 0 H GLU A 73 -9.474 2.384 1.636 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.220 4.502 2.383 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.241 1.507 2.895 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.570 2.574 3.301 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.434 2.226 0.506 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.847 1.388 1.116 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.452 3.175 4.756 1.00 0.00 N ATOM 1159 CA TRP A 74 -9.073 3.303 6.150 1.00 0.00 C ATOM 1160 C TRP A 74 -8.521 4.693 6.425 1.00 0.00 C ATOM 1161 O TRP A 74 -8.960 5.376 7.352 1.00 0.00 O ATOM 1162 CB TRP A 74 -8.037 2.238 6.488 1.00 0.00 C ATOM 1163 CG TRP A 74 -7.615 2.161 7.922 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -8.251 1.495 8.924 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -6.436 2.730 8.503 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -7.537 1.605 10.085 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -6.424 2.356 9.855 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -5.389 3.518 8.007 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -5.408 2.729 10.718 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -4.374 3.893 8.858 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -4.392 3.494 10.204 1.00 0.00 C ATOM 0 H TRP A 74 -8.880 2.518 4.226 1.00 0.00 H new ATOM 0 HA TRP A 74 -9.952 3.160 6.778 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -8.435 1.267 6.195 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.151 2.416 5.879 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -9.182 0.959 8.818 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.796 1.191 10.980 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.378 3.827 6.972 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.415 2.429 11.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.559 4.498 8.488 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -3.584 3.798 10.853 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.607 5.149 5.585 1.00 0.00 N ATOM 1183 CA ARG A 75 -6.984 6.439 5.814 1.00 0.00 C ATOM 1184 C ARG A 75 -7.962 7.560 5.582 1.00 0.00 C ATOM 1185 O ARG A 75 -7.948 8.559 6.298 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.763 6.622 4.959 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.675 5.616 5.239 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.528 5.828 4.309 1.00 0.00 C ATOM 1189 NE ARG A 75 -4.002 5.932 2.924 1.00 0.00 N ATOM 1190 CZ ARG A 75 -3.595 6.860 2.047 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -2.680 7.748 2.390 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -4.133 6.925 0.848 1.00 0.00 N ATOM 0 H ARG A 75 -7.285 4.655 4.753 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.669 6.466 6.857 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.050 6.552 3.910 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.367 7.626 5.115 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.338 5.711 6.271 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.065 4.605 5.123 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.991 6.736 4.585 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.823 5.001 4.397 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.690 5.249 2.606 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.278 7.730 3.327 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.375 8.452 1.718 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.865 6.266 0.581 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.818 7.634 0.186 1.00 0.00 H new ATOM 1206 N ALA A 76 -8.843 7.369 4.621 1.00 0.00 N ATOM 1207 CA ALA A 76 -9.865 8.349 4.308 1.00 0.00 C ATOM 1208 C ALA A 76 -10.871 8.469 5.459 1.00 0.00 C ATOM 1209 O ALA A 76 -11.470 9.516 5.666 1.00 0.00 O ATOM 1210 CB ALA A 76 -10.562 7.983 3.003 1.00 0.00 C ATOM 0 H ALA A 76 -8.872 6.534 4.037 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.390 9.322 4.180 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.327 8.726 2.778 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.831 7.959 2.195 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.027 7.002 3.101 1.00 0.00 H new ATOM 1216 N ALA A 77 -11.004 7.401 6.233 1.00 0.00 N ATOM 1217 CA ALA A 77 -11.921 7.375 7.353 1.00 0.00 C ATOM 1218 C ALA A 77 -11.244 8.001 8.544 1.00 0.00 C ATOM 1219 O ALA A 77 -11.850 8.700 9.350 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.342 5.951 7.663 1.00 0.00 C ATOM 0 H ALA A 77 -10.481 6.536 6.100 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.820 7.939 7.106 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.031 5.951 8.508 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.835 5.520 6.792 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.462 5.358 7.913 1.00 0.00 H new ATOM 1226 N ASN A 78 -9.952 7.745 8.629 1.00 0.00 N ATOM 1227 CA ASN A 78 -9.112 8.264 9.679 1.00 0.00 C ATOM 1228 C ASN A 78 -8.906 9.765 9.550 1.00 0.00 C ATOM 1229 O ASN A 78 -8.596 10.444 10.533 1.00 0.00 O ATOM 1230 CB ASN A 78 -7.741 7.574 9.685 1.00 0.00 C ATOM 1231 CG ASN A 78 -7.679 6.203 10.342 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -6.643 5.839 10.879 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -8.740 5.439 10.296 1.00 0.00 N ATOM 0 H ASN A 78 -9.454 7.161 7.957 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.629 8.058 10.617 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.404 7.475 8.653 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.031 8.228 10.191 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -8.718 4.510 10.716 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.589 5.773 9.840 1.00 0.00 H new ATOM 1240 N GLY A 79 -9.084 10.280 8.352 1.00 0.00 N ATOM 1241 CA GLY A 79 -8.848 11.687 8.109 1.00 0.00 C ATOM 1242 C GLY A 79 -7.392 11.924 7.787 1.00 0.00 C ATOM 1243 O GLY A 79 -6.875 13.034 7.926 1.00 0.00 O ATOM 0 H GLY A 79 -9.389 9.750 7.536 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.471 12.030 7.283 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.133 12.268 8.986 1.00 0.00 H new ATOM 1247 N LYS A 80 -6.747 10.867 7.341 1.00 0.00 N ATOM 1248 CA LYS A 80 -5.347 10.849 7.017 1.00 0.00 C ATOM 1249 C LYS A 80 -5.092 11.345 5.610 1.00 0.00 C ATOM 1250 O LYS A 80 -6.008 11.835 4.941 1.00 0.00 O ATOM 1251 CB LYS A 80 -4.825 9.433 7.174 1.00 0.00 C ATOM 1252 CG LYS A 80 -4.544 9.027 8.602 1.00 0.00 C ATOM 1253 CD LYS A 80 -4.181 7.563 8.678 1.00 0.00 C ATOM 1254 CE LYS A 80 -3.566 7.188 10.020 1.00 0.00 C ATOM 1255 NZ LYS A 80 -4.450 7.428 11.179 1.00 0.00 N ATOM 0 H LYS A 80 -7.204 9.968 7.191 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.824 11.521 7.698 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.552 8.741 6.749 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.909 9.330 6.593 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.730 9.630 9.004 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.420 9.222 9.220 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.074 6.961 8.509 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.479 7.323 7.880 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.291 6.133 9.999 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.645 7.755 10.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.017 7.025 12.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -4.584 8.451 11.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.372 6.977 11.012 1.00 0.00 H new ATOM 1269 N SER A 81 -3.852 11.219 5.170 1.00 0.00 N ATOM 1270 CA SER A 81 -3.421 11.605 3.866 1.00 0.00 C ATOM 1271 C SER A 81 -4.121 10.754 2.783 1.00 0.00 C ATOM 1272 O SER A 81 -4.863 9.808 3.104 1.00 0.00 O ATOM 1273 CB SER A 81 -1.936 11.384 3.823 1.00 0.00 C ATOM 1274 OG SER A 81 -1.280 12.085 4.872 1.00 0.00 O ATOM 0 H SER A 81 -3.102 10.830 5.742 1.00 0.00 H new ATOM 0 HA SER A 81 -3.672 12.647 3.668 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.722 10.318 3.905 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.544 11.715 2.861 1.00 0.00 H new ATOM 0 HG SER A 81 -0.315 11.922 4.821 1.00 0.00 H new ATOM 1280 N GLY A 82 -3.862 11.040 1.530 1.00 0.00 N ATOM 1281 CA GLY A 82 -4.548 10.335 0.489 1.00 0.00 C ATOM 1282 C GLY A 82 -3.612 9.888 -0.577 1.00 0.00 C ATOM 1283 O GLY A 82 -2.550 9.333 -0.275 1.00 0.00 O ATOM 0 H GLY A 82 -3.193 11.743 1.216 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.060 9.470 0.911 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.313 10.979 0.056 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.028 10.058 -1.793 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.258 9.822 -2.942 1.00 0.00 C ATOM 1289 C PHE A 83 -3.317 11.075 -3.780 1.00 0.00 C ATOM 1290 O PHE A 83 -4.188 11.934 -3.562 1.00 0.00 O ATOM 1291 CB PHE A 83 -3.823 8.653 -3.754 1.00 0.00 C ATOM 1292 CG PHE A 83 -3.837 7.332 -3.037 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.676 6.837 -2.481 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -5.003 6.577 -2.925 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -2.666 5.633 -1.831 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -4.985 5.362 -2.271 1.00 0.00 C ATOM 1297 CZ PHE A 83 -3.818 4.893 -1.721 1.00 0.00 C ATOM 0 H PHE A 83 -4.970 10.384 -2.007 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.236 9.571 -2.657 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.842 8.897 -4.055 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.238 8.548 -4.667 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.762 7.407 -2.560 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.925 6.944 -3.352 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.747 5.262 -1.402 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -5.891 4.779 -2.192 1.00 0.00 H new ATOM 0 HZ PHE A 83 -3.806 3.945 -1.203 1.00 0.00 H new ATOM 1307 N LYS A 84 -2.421 11.187 -4.708 1.00 0.00 N ATOM 1308 CA LYS A 84 -2.379 12.296 -5.605 1.00 0.00 C ATOM 1309 C LYS A 84 -3.574 12.233 -6.511 1.00 0.00 C ATOM 1310 O LYS A 84 -4.003 11.145 -6.915 1.00 0.00 O ATOM 1311 CB LYS A 84 -1.084 12.265 -6.406 1.00 0.00 C ATOM 1312 CG LYS A 84 -0.903 13.401 -7.410 1.00 0.00 C ATOM 1313 CD LYS A 84 0.483 13.369 -8.044 1.00 0.00 C ATOM 1314 CE LYS A 84 0.714 12.094 -8.838 1.00 0.00 C ATOM 1315 NZ LYS A 84 2.055 12.028 -9.412 1.00 0.00 N ATOM 0 H LYS A 84 -1.686 10.498 -4.866 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.407 13.232 -5.047 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.246 12.283 -5.709 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.032 11.318 -6.943 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.662 13.325 -8.188 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.054 14.358 -6.910 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.602 14.232 -8.700 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.241 13.454 -7.265 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.557 11.232 -8.189 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.024 12.029 -9.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.162 11.140 -9.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.198 12.834 -10.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.761 12.062 -8.649 1.00 0.00 H new ATOM 1329 N GLN A 85 -4.125 13.358 -6.802 1.00 0.00 N ATOM 1330 CA GLN A 85 -5.257 13.434 -7.597 1.00 0.00 C ATOM 1331 C GLN A 85 -4.904 13.289 -9.059 1.00 0.00 C ATOM 1332 O GLN A 85 -4.243 14.152 -9.644 1.00 0.00 O ATOM 1333 CB GLN A 85 -5.952 14.729 -7.316 1.00 0.00 C ATOM 1334 CG GLN A 85 -6.560 14.823 -5.924 1.00 0.00 C ATOM 1335 CD GLN A 85 -7.452 13.635 -5.606 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -8.641 13.638 -5.922 1.00 0.00 O ATOM 1337 NE2 GLN A 85 -6.904 12.634 -4.952 1.00 0.00 N ATOM 0 H GLN A 85 -3.779 14.261 -6.477 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.932 12.611 -7.360 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -5.241 15.545 -7.445 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -6.740 14.873 -8.055 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -5.762 14.884 -5.184 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -7.140 15.742 -5.844 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -5.914 12.666 -4.707 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.469 11.826 -4.690 1.00 0.00 H new ATOM 1346 N GLY A 86 -5.289 12.181 -9.614 1.00 0.00 N ATOM 1347 CA GLY A 86 -5.054 11.902 -10.982 1.00 0.00 C ATOM 1348 C GLY A 86 -5.728 10.627 -11.343 1.00 0.00 C ATOM 1349 O GLY A 86 -5.817 9.741 -10.463 1.00 0.00 O ATOM 1350 OXT GLY A 86 -6.242 10.505 -12.476 1.00 0.00 O ATOM 0 H GLY A 86 -5.782 11.440 -9.115 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.432 12.715 -11.602 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.983 11.828 -11.172 1.00 0.00 H new