USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 602 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 8 TYR OH : rot -130:sc= 0.166 USER MOD Set 1.2: A 12 THR OG1 : rot -77:sc= -0.0618 USER MOD Single : A 13 ASN : amide:sc= -0.192 X(o=-0.19,f=0) USER MOD Single : A 17 SER OG : rot 38:sc= -0.947! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 24:sc= 0.599 USER MOD Single : A 37 ASN : amide:sc= -0.254 K(o=-0.25,f=-2.7!) USER MOD Single : A 40 GLN : amide:sc= -1.15 K(o=-1.2,f=-5!) USER MOD Single : A 44 HIS : no HD1:sc= -0.386 X(o=-0.39,f=-0.79) USER MOD Single : A 45 SER OG : rot -142:sc= 0.793 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 175:sc= -0.77 (180deg=-0.856) USER MOD Single : A 54 GLN :FLIP amide:sc= -2.57! C(o=-6.1!,f=-2.6!) USER MOD Single : A 56 HIS : no HD1:sc= -0.367 X(o=-0.37,f=0.066) USER MOD Single : A 59 TYR OH : rot 180:sc= -0.0575 USER MOD Single : A 60 GLN : amide:sc= -0.306 K(o=-0.31,f=-1.6!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 73 THR OG1 : rot 33:sc= -8.97! USER MOD Single : A 75 LYS NZ :NH3+ -154:sc= -0.665 (180deg=-1.57!) USER MOD Single : A 79 GLN : amide:sc= -0.0736 K(o=-0.074,f=-0.99) USER MOD Single : A 80 TYR OH : rot -28:sc=-0.00189 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 8 13.141 -1.718 17.230 1.00 0.00 N ATOM 2 CA TYR A 8 12.023 -2.340 16.471 1.00 0.00 C ATOM 3 C TYR A 8 11.593 -1.411 15.335 1.00 0.00 C ATOM 4 O TYR A 8 10.704 -0.596 15.488 1.00 0.00 O ATOM 5 CB TYR A 8 10.840 -2.579 17.410 1.00 0.00 C ATOM 6 CG TYR A 8 9.736 -3.284 16.660 1.00 0.00 C ATOM 7 CD1 TYR A 8 10.048 -4.206 15.655 1.00 0.00 C ATOM 8 CD2 TYR A 8 8.398 -3.014 16.967 1.00 0.00 C ATOM 9 CE1 TYR A 8 9.026 -4.858 14.961 1.00 0.00 C ATOM 10 CE2 TYR A 8 7.376 -3.667 16.270 1.00 0.00 C ATOM 11 CZ TYR A 8 7.688 -4.588 15.266 1.00 0.00 C ATOM 12 OH TYR A 8 6.680 -5.233 14.579 1.00 0.00 O ATOM 0 HA TYR A 8 12.355 -3.291 16.054 1.00 0.00 H new ATOM 0 HB2 TYR A 8 11.155 -3.179 18.264 1.00 0.00 H new ATOM 0 HB3 TYR A 8 10.478 -1.630 17.804 1.00 0.00 H new ATOM 0 HD1 TYR A 8 11.080 -4.414 15.415 1.00 0.00 H new ATOM 0 HD2 TYR A 8 8.154 -2.302 17.742 1.00 0.00 H new ATOM 0 HE1 TYR A 8 9.269 -5.572 14.188 1.00 0.00 H new ATOM 0 HE2 TYR A 8 6.343 -3.459 16.508 1.00 0.00 H new ATOM 0 HH TYR A 8 6.030 -4.574 14.256 1.00 0.00 H new ATOM 22 N VAL A 9 12.215 -1.531 14.195 1.00 0.00 N ATOM 23 CA VAL A 9 11.842 -0.655 13.048 1.00 0.00 C ATOM 24 C VAL A 9 11.274 -1.510 11.912 1.00 0.00 C ATOM 25 O VAL A 9 11.697 -1.412 10.777 1.00 0.00 O ATOM 26 CB VAL A 9 13.080 0.098 12.554 1.00 0.00 C ATOM 27 CG1 VAL A 9 13.596 1.013 13.665 1.00 0.00 C ATOM 28 CG2 VAL A 9 14.170 -0.905 12.173 1.00 0.00 C ATOM 0 H VAL A 9 12.965 -2.197 14.008 1.00 0.00 H new ATOM 0 HA VAL A 9 11.088 0.062 13.372 1.00 0.00 H new ATOM 0 HB VAL A 9 12.817 0.697 11.682 1.00 0.00 H new ATOM 0 HG11 VAL A 9 14.478 1.550 13.314 1.00 0.00 H new ATOM 0 HG12 VAL A 9 12.820 1.728 13.937 1.00 0.00 H new ATOM 0 HG13 VAL A 9 13.859 0.414 14.537 1.00 0.00 H new ATOM 0 HG21 VAL A 9 15.051 -0.369 11.821 1.00 0.00 H new ATOM 0 HG22 VAL A 9 14.434 -1.504 13.044 1.00 0.00 H new ATOM 0 HG23 VAL A 9 13.803 -1.558 11.381 1.00 0.00 H new ATOM 38 N ALA A 10 10.314 -2.344 12.208 1.00 0.00 N ATOM 39 CA ALA A 10 9.714 -3.204 11.147 1.00 0.00 C ATOM 40 C ALA A 10 8.444 -3.869 11.688 1.00 0.00 C ATOM 41 O ALA A 10 8.125 -3.734 12.850 1.00 0.00 O ATOM 42 CB ALA A 10 10.714 -4.284 10.734 1.00 0.00 C ATOM 0 H ALA A 10 9.919 -2.467 13.140 1.00 0.00 H new ATOM 0 HA ALA A 10 9.466 -2.589 10.282 1.00 0.00 H new ATOM 0 HB1 ALA A 10 10.273 -4.911 9.959 1.00 0.00 H new ATOM 0 HB2 ALA A 10 11.619 -3.814 10.349 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.964 -4.898 11.599 1.00 0.00 H new ATOM 48 N PRO A 11 7.755 -4.566 10.820 1.00 0.00 N ATOM 49 CA PRO A 11 6.509 -5.267 11.175 1.00 0.00 C ATOM 50 C PRO A 11 6.811 -6.615 11.844 1.00 0.00 C ATOM 51 O PRO A 11 7.945 -7.046 11.923 1.00 0.00 O ATOM 52 CB PRO A 11 5.828 -5.486 9.821 1.00 0.00 C ATOM 53 CG PRO A 11 6.949 -5.428 8.753 1.00 0.00 C ATOM 54 CD PRO A 11 8.146 -4.707 9.403 1.00 0.00 C ATOM 0 HA PRO A 11 5.896 -4.708 11.882 1.00 0.00 H new ATOM 0 HB2 PRO A 11 5.316 -6.448 9.795 1.00 0.00 H new ATOM 0 HB3 PRO A 11 5.076 -4.719 9.636 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.230 -6.431 8.432 1.00 0.00 H new ATOM 0 HG3 PRO A 11 6.611 -4.893 7.866 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.064 -5.285 9.298 1.00 0.00 H new ATOM 0 HD3 PRO A 11 8.326 -3.736 8.941 1.00 0.00 H new ATOM 62 N THR A 12 5.792 -7.284 12.315 1.00 0.00 N ATOM 63 CA THR A 12 5.988 -8.609 12.971 1.00 0.00 C ATOM 64 C THR A 12 5.238 -9.676 12.167 1.00 0.00 C ATOM 65 O THR A 12 5.800 -10.677 11.769 1.00 0.00 O ATOM 66 CB THR A 12 5.435 -8.562 14.397 1.00 0.00 C ATOM 67 OG1 THR A 12 4.588 -7.430 14.536 1.00 0.00 O ATOM 68 CG2 THR A 12 6.591 -8.460 15.394 1.00 0.00 C ATOM 0 H THR A 12 4.824 -6.966 12.273 1.00 0.00 H new ATOM 0 HA THR A 12 7.050 -8.850 13.006 1.00 0.00 H new ATOM 0 HB THR A 12 4.867 -9.471 14.596 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.135 -6.622 14.631 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.194 -8.427 16.409 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.241 -9.328 15.287 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.162 -7.552 15.198 1.00 0.00 H new ATOM 76 N ASN A 13 3.974 -9.460 11.907 1.00 0.00 N ATOM 77 CA ASN A 13 3.195 -10.443 11.110 1.00 0.00 C ATOM 78 C ASN A 13 2.879 -9.805 9.762 1.00 0.00 C ATOM 79 O ASN A 13 3.212 -8.660 9.527 1.00 0.00 O ATOM 80 CB ASN A 13 1.893 -10.786 11.838 1.00 0.00 C ATOM 81 CG ASN A 13 1.872 -12.280 12.169 1.00 0.00 C ATOM 82 OD1 ASN A 13 1.884 -12.658 13.324 1.00 0.00 O ATOM 83 ND2 ASN A 13 1.842 -13.152 11.198 1.00 0.00 N ATOM 0 H ASN A 13 3.450 -8.641 12.215 1.00 0.00 H new ATOM 0 HA ASN A 13 3.767 -11.361 10.973 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.810 -10.199 12.753 1.00 0.00 H new ATOM 0 HB3 ASN A 13 1.037 -10.529 11.215 1.00 0.00 H new ATOM 0 HD21 ASN A 13 1.829 -14.150 11.409 1.00 0.00 H new ATOM 0 HD22 ASN A 13 1.832 -12.835 10.228 1.00 0.00 H new ATOM 90 N ALA A 14 2.252 -10.512 8.869 1.00 0.00 N ATOM 91 CA ALA A 14 1.956 -9.887 7.556 1.00 0.00 C ATOM 92 C ALA A 14 0.727 -8.988 7.673 1.00 0.00 C ATOM 93 O ALA A 14 0.637 -7.961 7.030 1.00 0.00 O ATOM 94 CB ALA A 14 1.713 -10.947 6.501 1.00 0.00 C ATOM 0 H ALA A 14 1.937 -11.475 8.987 1.00 0.00 H new ATOM 0 HA ALA A 14 2.817 -9.289 7.258 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.498 -10.467 5.546 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.601 -11.572 6.401 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.865 -11.566 6.795 1.00 0.00 H new ATOM 100 N VAL A 15 -0.215 -9.333 8.502 1.00 0.00 N ATOM 101 CA VAL A 15 -1.389 -8.438 8.638 1.00 0.00 C ATOM 102 C VAL A 15 -0.851 -7.109 9.137 1.00 0.00 C ATOM 103 O VAL A 15 -1.118 -6.050 8.591 1.00 0.00 O ATOM 104 CB VAL A 15 -2.384 -9.001 9.638 1.00 0.00 C ATOM 105 CG1 VAL A 15 -3.447 -7.938 9.918 1.00 0.00 C ATOM 106 CG2 VAL A 15 -3.041 -10.244 9.035 1.00 0.00 C ATOM 0 H VAL A 15 -0.224 -10.175 9.078 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.911 -8.333 7.687 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.882 -9.272 10.567 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.170 -8.327 10.635 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.972 -7.047 10.329 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.958 -7.681 8.990 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.758 -10.657 9.745 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.557 -9.972 8.114 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.277 -10.990 8.816 1.00 0.00 H new ATOM 116 N GLU A 16 -0.041 -7.173 10.154 1.00 0.00 N ATOM 117 CA GLU A 16 0.575 -5.942 10.678 1.00 0.00 C ATOM 118 C GLU A 16 1.619 -5.494 9.651 1.00 0.00 C ATOM 119 O GLU A 16 1.958 -4.337 9.569 1.00 0.00 O ATOM 120 CB GLU A 16 1.185 -6.224 12.072 1.00 0.00 C ATOM 121 CG GLU A 16 2.720 -6.198 12.049 1.00 0.00 C ATOM 122 CD GLU A 16 3.213 -4.787 12.380 1.00 0.00 C ATOM 123 OE1 GLU A 16 3.221 -3.957 11.487 1.00 0.00 O ATOM 124 OE2 GLU A 16 3.575 -4.562 13.524 1.00 0.00 O ATOM 0 H GLU A 16 0.217 -8.031 10.641 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.151 -5.141 10.817 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.821 -5.482 12.783 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.845 -7.197 12.425 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.117 -6.912 12.771 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.085 -6.501 11.067 1.00 0.00 H new ATOM 131 N SER A 17 2.117 -6.406 8.842 1.00 0.00 N ATOM 132 CA SER A 17 3.111 -5.996 7.809 1.00 0.00 C ATOM 133 C SER A 17 2.483 -4.897 6.958 1.00 0.00 C ATOM 134 O SER A 17 3.061 -3.848 6.739 1.00 0.00 O ATOM 135 CB SER A 17 3.491 -7.159 6.902 1.00 0.00 C ATOM 136 OG SER A 17 4.365 -8.034 7.605 1.00 0.00 O ATOM 0 H SER A 17 1.879 -7.398 8.856 1.00 0.00 H new ATOM 0 HA SER A 17 4.014 -5.649 8.311 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.597 -7.696 6.585 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.977 -6.788 5.999 1.00 0.00 H new ATOM 0 HG SER A 17 4.085 -8.093 8.542 1.00 0.00 H new ATOM 142 N LYS A 18 1.288 -5.135 6.481 1.00 0.00 N ATOM 143 CA LYS A 18 0.604 -4.111 5.649 1.00 0.00 C ATOM 144 C LYS A 18 0.250 -2.916 6.529 1.00 0.00 C ATOM 145 O LYS A 18 0.584 -1.789 6.221 1.00 0.00 O ATOM 146 CB LYS A 18 -0.672 -4.705 5.046 1.00 0.00 C ATOM 147 CG LYS A 18 -1.382 -3.648 4.195 1.00 0.00 C ATOM 148 CD LYS A 18 -0.366 -2.952 3.286 1.00 0.00 C ATOM 149 CE LYS A 18 -1.034 -2.587 1.958 1.00 0.00 C ATOM 150 NZ LYS A 18 -0.886 -3.718 0.997 1.00 0.00 N ATOM 0 H LYS A 18 0.760 -5.994 6.634 1.00 0.00 H new ATOM 0 HA LYS A 18 1.262 -3.792 4.841 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.427 -5.573 4.434 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.334 -5.051 5.840 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.163 -4.115 3.594 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.870 -2.916 4.839 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.017 -2.054 3.771 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.487 -3.607 3.108 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.090 -2.368 2.118 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.580 -1.685 1.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.340 -3.469 0.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.124 -3.907 0.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.338 -4.568 1.389 1.00 0.00 H new ATOM 164 N LEU A 19 -0.414 -3.148 7.630 1.00 0.00 N ATOM 165 CA LEU A 19 -0.764 -2.007 8.521 1.00 0.00 C ATOM 166 C LEU A 19 0.513 -1.241 8.860 1.00 0.00 C ATOM 167 O LEU A 19 0.520 -0.030 8.929 1.00 0.00 O ATOM 168 CB LEU A 19 -1.414 -2.532 9.803 1.00 0.00 C ATOM 169 CG LEU A 19 -2.908 -2.754 9.564 1.00 0.00 C ATOM 170 CD1 LEU A 19 -3.369 -3.993 10.333 1.00 0.00 C ATOM 171 CD2 LEU A 19 -3.688 -1.531 10.055 1.00 0.00 C ATOM 0 H LEU A 19 -0.725 -4.066 7.947 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.469 -1.345 8.018 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.941 -3.466 10.107 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.267 -1.821 10.616 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.089 -2.899 8.499 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.434 -4.151 10.163 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.813 -4.864 9.987 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.189 -3.848 11.398 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.753 -1.687 9.886 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.507 -1.388 11.120 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.359 -0.647 9.509 1.00 0.00 H new ATOM 183 N ALA A 20 1.602 -1.937 9.044 1.00 0.00 N ATOM 184 CA ALA A 20 2.883 -1.243 9.345 1.00 0.00 C ATOM 185 C ALA A 20 3.208 -0.350 8.153 1.00 0.00 C ATOM 186 O ALA A 20 3.550 0.807 8.300 1.00 0.00 O ATOM 187 CB ALA A 20 4.002 -2.270 9.537 1.00 0.00 C ATOM 0 H ALA A 20 1.658 -2.954 8.999 1.00 0.00 H new ATOM 0 HA ALA A 20 2.795 -0.656 10.259 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.936 -1.753 9.757 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.750 -2.932 10.365 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.118 -2.857 8.626 1.00 0.00 H new ATOM 193 N GLU A 21 3.079 -0.879 6.962 1.00 0.00 N ATOM 194 CA GLU A 21 3.357 -0.055 5.756 1.00 0.00 C ATOM 195 C GLU A 21 2.375 1.115 5.733 1.00 0.00 C ATOM 196 O GLU A 21 2.772 2.261 5.779 1.00 0.00 O ATOM 197 CB GLU A 21 3.191 -0.899 4.490 1.00 0.00 C ATOM 198 CG GLU A 21 4.453 -0.773 3.635 1.00 0.00 C ATOM 199 CD GLU A 21 4.231 -1.458 2.286 1.00 0.00 C ATOM 200 OE1 GLU A 21 3.583 -0.862 1.441 1.00 0.00 O ATOM 201 OE2 GLU A 21 4.713 -2.567 2.120 1.00 0.00 O ATOM 0 H GLU A 21 2.795 -1.841 6.777 1.00 0.00 H new ATOM 0 HA GLU A 21 4.381 0.316 5.790 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.018 -1.942 4.754 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.320 -0.564 3.926 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.698 0.278 3.484 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.300 -1.227 4.150 1.00 0.00 H new ATOM 208 N ILE A 22 1.094 0.845 5.683 1.00 0.00 N ATOM 209 CA ILE A 22 0.117 1.972 5.685 1.00 0.00 C ATOM 210 C ILE A 22 0.521 2.920 6.814 1.00 0.00 C ATOM 211 O ILE A 22 0.803 4.082 6.596 1.00 0.00 O ATOM 212 CB ILE A 22 -1.328 1.458 5.866 1.00 0.00 C ATOM 213 CG1 ILE A 22 -2.132 2.380 6.788 1.00 0.00 C ATOM 214 CG2 ILE A 22 -1.331 0.058 6.432 1.00 0.00 C ATOM 215 CD1 ILE A 22 -2.353 3.724 6.091 1.00 0.00 C ATOM 0 H ILE A 22 0.690 -0.090 5.642 1.00 0.00 H new ATOM 0 HA ILE A 22 0.135 2.496 4.729 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.796 1.449 4.882 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.090 1.922 7.033 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.600 2.528 7.728 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.359 -0.284 6.551 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.803 -0.610 5.752 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.833 0.057 7.402 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.925 4.383 6.744 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.389 4.181 5.868 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.903 3.567 5.163 1.00 0.00 H new ATOM 227 N TRP A 23 0.581 2.409 8.010 1.00 0.00 N ATOM 228 CA TRP A 23 1.005 3.233 9.169 1.00 0.00 C ATOM 229 C TRP A 23 2.128 4.178 8.763 1.00 0.00 C ATOM 230 O TRP A 23 1.984 5.383 8.763 1.00 0.00 O ATOM 231 CB TRP A 23 1.572 2.304 10.225 1.00 0.00 C ATOM 232 CG TRP A 23 0.600 2.079 11.318 1.00 0.00 C ATOM 233 CD1 TRP A 23 -0.511 1.317 11.253 1.00 0.00 C ATOM 234 CD2 TRP A 23 0.667 2.609 12.657 1.00 0.00 C ATOM 235 NE1 TRP A 23 -1.131 1.341 12.488 1.00 0.00 N ATOM 236 CE2 TRP A 23 -0.428 2.128 13.394 1.00 0.00 C ATOM 237 CE3 TRP A 23 1.582 3.456 13.291 1.00 0.00 C ATOM 238 CZ2 TRP A 23 -0.601 2.481 14.733 1.00 0.00 C ATOM 239 CZ3 TRP A 23 1.408 3.819 14.631 1.00 0.00 C ATOM 240 CH2 TRP A 23 0.318 3.325 15.351 1.00 0.00 C ATOM 0 H TRP A 23 0.350 1.441 8.235 1.00 0.00 H new ATOM 0 HA TRP A 23 0.149 3.801 9.533 1.00 0.00 H new ATOM 0 HB2 TRP A 23 1.838 1.350 9.769 1.00 0.00 H new ATOM 0 HB3 TRP A 23 2.489 2.729 10.632 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -0.858 0.779 10.383 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -1.995 0.845 12.707 1.00 0.00 H new ATOM 0 HE3 TRP A 23 2.431 3.834 12.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -1.445 2.101 15.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 2.116 4.481 15.108 1.00 0.00 H new ATOM 0 HH2 TRP A 23 0.188 3.598 16.388 1.00 0.00 H new ATOM 251 N GLU A 24 3.261 3.619 8.448 1.00 0.00 N ATOM 252 CA GLU A 24 4.431 4.452 8.074 1.00 0.00 C ATOM 253 C GLU A 24 4.073 5.329 6.864 1.00 0.00 C ATOM 254 O GLU A 24 4.405 6.497 6.807 1.00 0.00 O ATOM 255 CB GLU A 24 5.624 3.520 7.760 1.00 0.00 C ATOM 256 CG GLU A 24 6.282 3.874 6.419 1.00 0.00 C ATOM 257 CD GLU A 24 7.708 3.319 6.388 1.00 0.00 C ATOM 258 OE1 GLU A 24 7.855 2.112 6.499 1.00 0.00 O ATOM 259 OE2 GLU A 24 8.627 4.109 6.250 1.00 0.00 O ATOM 0 H GLU A 24 3.426 2.613 8.434 1.00 0.00 H new ATOM 0 HA GLU A 24 4.709 5.112 8.896 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.363 3.592 8.558 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.281 2.486 7.736 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.701 3.459 5.596 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.298 4.955 6.284 1.00 0.00 H new ATOM 266 N ARG A 25 3.413 4.761 5.896 1.00 0.00 N ATOM 267 CA ARG A 25 3.040 5.533 4.677 1.00 0.00 C ATOM 268 C ARG A 25 2.088 6.681 5.038 1.00 0.00 C ATOM 269 O ARG A 25 2.449 7.840 4.991 1.00 0.00 O ATOM 270 CB ARG A 25 2.355 4.582 3.687 1.00 0.00 C ATOM 271 CG ARG A 25 1.564 5.383 2.648 1.00 0.00 C ATOM 272 CD ARG A 25 2.505 6.340 1.917 1.00 0.00 C ATOM 273 NE ARG A 25 3.403 5.561 1.019 1.00 0.00 N ATOM 274 CZ ARG A 25 3.755 6.054 -0.136 1.00 0.00 C ATOM 275 NH1 ARG A 25 2.973 5.916 -1.172 1.00 0.00 N ATOM 276 NH2 ARG A 25 4.892 6.681 -0.257 1.00 0.00 N ATOM 0 H ARG A 25 3.113 3.786 5.896 1.00 0.00 H new ATOM 0 HA ARG A 25 3.937 5.961 4.229 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.102 3.964 3.189 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.687 3.907 4.222 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.090 4.707 1.936 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.766 5.943 3.136 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.929 7.061 1.337 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.095 6.908 2.636 1.00 0.00 H new ATOM 0 HE ARG A 25 3.742 4.643 1.307 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.085 5.422 -1.079 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.250 6.302 -2.075 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.505 6.786 0.551 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.168 7.067 -1.160 1.00 0.00 H new ATOM 290 N VAL A 26 0.868 6.364 5.366 1.00 0.00 N ATOM 291 CA VAL A 26 -0.124 7.427 5.696 1.00 0.00 C ATOM 292 C VAL A 26 0.299 8.215 6.939 1.00 0.00 C ATOM 293 O VAL A 26 -0.006 9.384 7.068 1.00 0.00 O ATOM 294 CB VAL A 26 -1.481 6.781 5.955 1.00 0.00 C ATOM 295 CG1 VAL A 26 -2.480 7.849 6.406 1.00 0.00 C ATOM 296 CG2 VAL A 26 -1.985 6.127 4.666 1.00 0.00 C ATOM 0 H VAL A 26 0.512 5.410 5.420 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.181 8.116 4.854 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.381 6.026 6.735 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.449 7.386 6.591 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.122 8.319 7.322 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.582 8.604 5.627 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.955 5.664 4.848 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.084 6.884 3.888 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.275 5.366 4.342 1.00 0.00 H new ATOM 306 N LEU A 27 0.973 7.597 7.868 1.00 0.00 N ATOM 307 CA LEU A 27 1.366 8.346 9.097 1.00 0.00 C ATOM 308 C LEU A 27 2.770 8.945 8.938 1.00 0.00 C ATOM 309 O LEU A 27 3.181 9.785 9.713 1.00 0.00 O ATOM 310 CB LEU A 27 1.312 7.402 10.298 1.00 0.00 C ATOM 311 CG LEU A 27 0.041 6.552 10.196 1.00 0.00 C ATOM 312 CD1 LEU A 27 0.055 5.451 11.257 1.00 0.00 C ATOM 313 CD2 LEU A 27 -1.189 7.443 10.402 1.00 0.00 C ATOM 0 H LEU A 27 1.266 6.621 7.833 1.00 0.00 H new ATOM 0 HA LEU A 27 0.670 9.170 9.257 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.194 6.762 10.316 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.312 7.972 11.227 1.00 0.00 H new ATOM 0 HG LEU A 27 0.001 6.093 9.208 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.853 4.854 11.174 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.925 4.811 11.106 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.104 5.902 12.248 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.093 6.838 10.329 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.141 7.907 11.387 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.209 8.218 9.636 1.00 0.00 H new ATOM 325 N GLY A 28 3.500 8.544 7.932 1.00 0.00 N ATOM 326 CA GLY A 28 4.861 9.119 7.724 1.00 0.00 C ATOM 327 C GLY A 28 5.810 8.646 8.825 1.00 0.00 C ATOM 328 O GLY A 28 6.275 9.427 9.632 1.00 0.00 O ATOM 0 H GLY A 28 3.214 7.845 7.247 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.245 8.818 6.749 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.807 10.208 7.724 1.00 0.00 H new ATOM 332 N VAL A 29 6.110 7.378 8.858 1.00 0.00 N ATOM 333 CA VAL A 29 7.042 6.862 9.903 1.00 0.00 C ATOM 334 C VAL A 29 8.078 5.954 9.251 1.00 0.00 C ATOM 335 O VAL A 29 8.192 5.883 8.043 1.00 0.00 O ATOM 336 CB VAL A 29 6.283 6.040 10.945 1.00 0.00 C ATOM 337 CG1 VAL A 29 6.911 6.258 12.321 1.00 0.00 C ATOM 338 CG2 VAL A 29 4.816 6.461 10.985 1.00 0.00 C ATOM 0 H VAL A 29 5.752 6.677 8.209 1.00 0.00 H new ATOM 0 HA VAL A 29 7.520 7.714 10.386 1.00 0.00 H new ATOM 0 HB VAL A 29 6.342 4.986 10.675 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.370 5.672 13.065 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.954 5.943 12.299 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.857 7.315 12.582 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.287 5.868 11.731 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.748 7.517 11.246 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.364 6.299 10.006 1.00 0.00 H new ATOM 348 N SER A 30 8.823 5.242 10.046 1.00 0.00 N ATOM 349 CA SER A 30 9.837 4.320 9.481 1.00 0.00 C ATOM 350 C SER A 30 10.084 3.181 10.473 1.00 0.00 C ATOM 351 O SER A 30 11.132 3.087 11.082 1.00 0.00 O ATOM 352 CB SER A 30 11.138 5.079 9.221 1.00 0.00 C ATOM 353 OG SER A 30 11.073 5.700 7.943 1.00 0.00 O ATOM 0 H SER A 30 8.772 5.260 11.065 1.00 0.00 H new ATOM 0 HA SER A 30 9.476 3.909 8.538 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.295 5.830 9.995 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.986 4.395 9.263 1.00 0.00 H new ATOM 0 HG SER A 30 10.135 5.840 7.694 1.00 0.00 H new ATOM 359 N GLY A 31 9.116 2.324 10.646 1.00 0.00 N ATOM 360 CA GLY A 31 9.268 1.191 11.605 1.00 0.00 C ATOM 361 C GLY A 31 7.931 0.968 12.310 1.00 0.00 C ATOM 362 O GLY A 31 7.186 0.065 11.984 1.00 0.00 O ATOM 0 H GLY A 31 8.219 2.359 10.161 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.573 0.287 11.078 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.048 1.414 12.334 1.00 0.00 H new ATOM 366 N ILE A 32 7.610 1.805 13.256 1.00 0.00 N ATOM 367 CA ILE A 32 6.309 1.669 13.967 1.00 0.00 C ATOM 368 C ILE A 32 6.210 0.305 14.665 1.00 0.00 C ATOM 369 O ILE A 32 6.444 -0.733 14.079 1.00 0.00 O ATOM 370 CB ILE A 32 5.185 1.859 12.944 1.00 0.00 C ATOM 371 CG1 ILE A 32 5.345 3.234 12.294 1.00 0.00 C ATOM 372 CG2 ILE A 32 3.829 1.773 13.638 1.00 0.00 C ATOM 373 CD1 ILE A 32 4.927 3.152 10.825 1.00 0.00 C ATOM 0 H ILE A 32 8.195 2.580 13.568 1.00 0.00 H new ATOM 0 HA ILE A 32 6.224 2.427 14.745 1.00 0.00 H new ATOM 0 HB ILE A 32 5.240 1.078 12.186 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.734 3.969 12.817 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.380 3.567 12.371 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.035 1.909 12.904 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.723 0.796 14.110 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.759 2.552 14.397 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.040 4.131 10.359 1.00 0.00 H new ATOM 0 HD12 ILE A 32 5.557 2.429 10.307 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.885 2.838 10.760 1.00 0.00 H new ATOM 385 N GLY A 33 5.891 0.323 15.938 1.00 0.00 N ATOM 386 CA GLY A 33 5.800 -0.938 16.732 1.00 0.00 C ATOM 387 C GLY A 33 4.519 -1.723 16.403 1.00 0.00 C ATOM 388 O GLY A 33 4.088 -1.773 15.271 1.00 0.00 O ATOM 0 H GLY A 33 5.687 1.172 16.465 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.671 -1.561 16.528 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.819 -0.701 17.796 1.00 0.00 H new ATOM 392 N ILE A 34 3.918 -2.357 17.389 1.00 0.00 N ATOM 393 CA ILE A 34 2.676 -3.153 17.133 1.00 0.00 C ATOM 394 C ILE A 34 1.490 -2.501 17.840 1.00 0.00 C ATOM 395 O ILE A 34 0.550 -2.063 17.212 1.00 0.00 O ATOM 396 CB ILE A 34 2.835 -4.585 17.669 1.00 0.00 C ATOM 397 CG1 ILE A 34 4.304 -4.876 17.993 1.00 0.00 C ATOM 398 CG2 ILE A 34 2.344 -5.579 16.615 1.00 0.00 C ATOM 399 CD1 ILE A 34 4.593 -4.489 19.446 1.00 0.00 C ATOM 0 H ILE A 34 4.237 -2.355 18.358 1.00 0.00 H new ATOM 0 HA ILE A 34 2.505 -3.183 16.057 1.00 0.00 H new ATOM 0 HB ILE A 34 2.246 -4.686 18.580 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.519 -5.933 17.837 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.954 -4.316 17.320 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.456 -6.595 16.993 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.294 -5.387 16.395 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.932 -5.464 15.704 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.638 -4.696 19.677 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.394 -3.426 19.586 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.953 -5.069 20.111 1.00 0.00 H new ATOM 411 N LEU A 35 1.512 -2.423 19.141 1.00 0.00 N ATOM 412 CA LEU A 35 0.364 -1.790 19.844 1.00 0.00 C ATOM 413 C LEU A 35 0.634 -0.294 19.982 1.00 0.00 C ATOM 414 O LEU A 35 0.325 0.330 20.978 1.00 0.00 O ATOM 415 CB LEU A 35 0.151 -2.422 21.213 1.00 0.00 C ATOM 416 CG LEU A 35 -1.350 -2.576 21.464 1.00 0.00 C ATOM 417 CD1 LEU A 35 -1.608 -3.848 22.273 1.00 0.00 C ATOM 418 CD2 LEU A 35 -1.864 -1.363 22.243 1.00 0.00 C ATOM 0 H LEU A 35 2.264 -2.765 19.740 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.545 -1.947 19.263 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.642 -3.394 21.259 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.600 -1.801 21.988 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.871 -2.643 20.509 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.678 -3.955 22.451 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.244 -4.712 21.718 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.086 -3.784 23.228 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.934 -1.472 22.422 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.341 -1.295 23.197 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.684 -0.456 21.665 1.00 0.00 H new ATOM 430 N ASP A 36 1.184 0.274 18.950 1.00 0.00 N ATOM 431 CA ASP A 36 1.469 1.730 18.927 1.00 0.00 C ATOM 432 C ASP A 36 0.165 2.512 19.097 1.00 0.00 C ATOM 433 O ASP A 36 -0.859 1.969 19.462 1.00 0.00 O ATOM 434 CB ASP A 36 2.057 2.079 17.562 1.00 0.00 C ATOM 435 CG ASP A 36 3.577 2.209 17.670 1.00 0.00 C ATOM 436 OD1 ASP A 36 4.130 1.695 18.627 1.00 0.00 O ATOM 437 OD2 ASP A 36 4.163 2.822 16.792 1.00 0.00 O ATOM 0 H ASP A 36 1.454 -0.223 18.101 1.00 0.00 H new ATOM 0 HA ASP A 36 2.160 1.983 19.731 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.800 1.307 16.837 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.628 3.013 17.199 1.00 0.00 H new ATOM 442 N ASN A 37 0.195 3.783 18.804 1.00 0.00 N ATOM 443 CA ASN A 37 -1.034 4.612 18.910 1.00 0.00 C ATOM 444 C ASN A 37 -1.213 5.376 17.597 1.00 0.00 C ATOM 445 O ASN A 37 -0.339 6.104 17.170 1.00 0.00 O ATOM 446 CB ASN A 37 -0.892 5.600 20.067 1.00 0.00 C ATOM 447 CG ASN A 37 -1.277 4.911 21.376 1.00 0.00 C ATOM 448 OD1 ASN A 37 -1.989 3.927 21.372 1.00 0.00 O ATOM 449 ND2 ASN A 37 -0.830 5.390 22.505 1.00 0.00 N ATOM 0 H ASN A 37 1.027 4.285 18.493 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.900 3.977 19.096 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.134 5.965 20.124 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.530 6.467 19.899 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.079 4.938 23.385 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -0.232 6.216 22.507 1.00 0.00 H new ATOM 456 N PHE A 38 -2.331 5.210 16.944 1.00 0.00 N ATOM 457 CA PHE A 38 -2.539 5.927 15.643 1.00 0.00 C ATOM 458 C PHE A 38 -2.211 7.408 15.831 1.00 0.00 C ATOM 459 O PHE A 38 -1.906 8.106 14.884 1.00 0.00 O ATOM 460 CB PHE A 38 -4.001 5.772 15.152 1.00 0.00 C ATOM 461 CG PHE A 38 -4.299 4.323 14.788 1.00 0.00 C ATOM 462 CD1 PHE A 38 -3.348 3.336 15.036 1.00 0.00 C ATOM 463 CD2 PHE A 38 -5.526 3.960 14.198 1.00 0.00 C ATOM 464 CE1 PHE A 38 -3.601 2.002 14.708 1.00 0.00 C ATOM 465 CE2 PHE A 38 -5.770 2.619 13.874 1.00 0.00 C ATOM 466 CZ PHE A 38 -4.812 1.645 14.130 1.00 0.00 C ATOM 0 H PHE A 38 -3.104 4.617 17.246 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.881 5.491 14.892 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.688 6.105 15.930 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -4.168 6.411 14.285 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.404 3.605 15.487 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -6.275 4.712 13.997 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.854 1.247 14.904 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -6.710 2.340 13.422 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.009 0.613 13.880 1.00 0.00 H new ATOM 476 N PHE A 39 -2.242 7.893 17.041 1.00 0.00 N ATOM 477 CA PHE A 39 -1.897 9.320 17.262 1.00 0.00 C ATOM 478 C PHE A 39 -0.439 9.398 17.704 1.00 0.00 C ATOM 479 O PHE A 39 -0.073 10.180 18.558 1.00 0.00 O ATOM 480 CB PHE A 39 -2.796 9.940 18.334 1.00 0.00 C ATOM 481 CG PHE A 39 -2.830 11.444 18.144 1.00 0.00 C ATOM 482 CD1 PHE A 39 -1.799 12.092 17.442 1.00 0.00 C ATOM 483 CD2 PHE A 39 -3.890 12.193 18.670 1.00 0.00 C ATOM 484 CE1 PHE A 39 -1.832 13.479 17.269 1.00 0.00 C ATOM 485 CE2 PHE A 39 -3.920 13.583 18.493 1.00 0.00 C ATOM 486 CZ PHE A 39 -2.888 14.223 17.793 1.00 0.00 C ATOM 0 H PHE A 39 -2.489 7.366 17.879 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.047 9.876 16.336 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.803 9.529 18.264 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.420 9.695 19.327 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.980 11.517 17.035 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.684 11.700 19.212 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.039 13.974 16.729 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.738 14.161 18.896 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.911 15.294 17.659 1.00 0.00 H new ATOM 496 N GLN A 40 0.396 8.598 17.107 1.00 0.00 N ATOM 497 CA GLN A 40 1.838 8.621 17.464 1.00 0.00 C ATOM 498 C GLN A 40 2.476 9.795 16.722 1.00 0.00 C ATOM 499 O GLN A 40 3.030 9.640 15.655 1.00 0.00 O ATOM 500 CB GLN A 40 2.498 7.299 17.013 1.00 0.00 C ATOM 501 CG GLN A 40 2.524 6.310 18.182 1.00 0.00 C ATOM 502 CD GLN A 40 3.627 6.708 19.164 1.00 0.00 C ATOM 503 OE1 GLN A 40 3.654 7.824 19.646 1.00 0.00 O ATOM 504 NE2 GLN A 40 4.546 5.838 19.483 1.00 0.00 N ATOM 0 H GLN A 40 0.140 7.926 16.384 1.00 0.00 H new ATOM 0 HA GLN A 40 1.971 8.730 18.540 1.00 0.00 H new ATOM 0 HB2 GLN A 40 1.946 6.873 16.176 1.00 0.00 H new ATOM 0 HB3 GLN A 40 3.512 7.489 16.662 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.558 6.303 18.687 1.00 0.00 H new ATOM 0 HG3 GLN A 40 2.698 5.299 17.813 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.524 4.902 19.079 1.00 0.00 H new ATOM 0 HE22 GLN A 40 5.286 6.094 20.136 1.00 0.00 H new ATOM 513 N ILE A 41 2.362 10.973 17.278 1.00 0.00 N ATOM 514 CA ILE A 41 2.923 12.193 16.623 1.00 0.00 C ATOM 515 C ILE A 41 2.545 12.208 15.139 1.00 0.00 C ATOM 516 O ILE A 41 3.389 12.183 14.266 1.00 0.00 O ATOM 517 CB ILE A 41 4.449 12.239 16.791 1.00 0.00 C ATOM 518 CG1 ILE A 41 5.109 11.038 16.108 1.00 0.00 C ATOM 519 CG2 ILE A 41 4.789 12.217 18.281 1.00 0.00 C ATOM 520 CD1 ILE A 41 6.584 11.348 15.858 1.00 0.00 C ATOM 0 H ILE A 41 1.898 11.144 18.170 1.00 0.00 H new ATOM 0 HA ILE A 41 2.501 13.076 17.102 1.00 0.00 H new ATOM 0 HB ILE A 41 4.824 13.152 16.329 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.013 10.151 16.734 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.607 10.819 15.166 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.871 12.249 18.408 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.340 13.082 18.769 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.398 11.304 18.730 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.058 10.495 15.372 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.668 12.225 15.216 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.080 11.546 16.808 1.00 0.00 H new ATOM 532 N GLY A 42 1.271 12.261 14.847 1.00 0.00 N ATOM 533 CA GLY A 42 0.835 12.285 13.422 1.00 0.00 C ATOM 534 C GLY A 42 0.011 13.549 13.159 1.00 0.00 C ATOM 535 O GLY A 42 0.546 14.632 13.026 1.00 0.00 O ATOM 0 H GLY A 42 0.517 12.289 15.533 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.704 12.262 12.765 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.242 11.399 13.198 1.00 0.00 H new ATOM 539 N GLY A 43 -1.285 13.419 13.081 1.00 0.00 N ATOM 540 CA GLY A 43 -2.139 14.613 12.824 1.00 0.00 C ATOM 541 C GLY A 43 -3.565 14.335 13.300 1.00 0.00 C ATOM 542 O GLY A 43 -3.779 13.773 14.356 1.00 0.00 O ATOM 0 H GLY A 43 -1.789 12.538 13.184 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.734 15.481 13.344 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.140 14.850 11.760 1.00 0.00 H new ATOM 546 N HIS A 44 -4.543 14.727 12.529 1.00 0.00 N ATOM 547 CA HIS A 44 -5.956 14.484 12.937 1.00 0.00 C ATOM 548 C HIS A 44 -6.287 13.001 12.764 1.00 0.00 C ATOM 549 O HIS A 44 -5.412 12.172 12.605 1.00 0.00 O ATOM 550 CB HIS A 44 -6.890 15.321 12.061 1.00 0.00 C ATOM 551 CG HIS A 44 -7.764 16.176 12.937 1.00 0.00 C ATOM 552 ND1 HIS A 44 -7.332 16.661 14.162 1.00 0.00 N ATOM 553 CD2 HIS A 44 -9.046 16.640 12.780 1.00 0.00 C ATOM 554 CE1 HIS A 44 -8.340 17.381 14.689 1.00 0.00 C ATOM 555 NE2 HIS A 44 -9.408 17.401 13.888 1.00 0.00 N ATOM 0 H HIS A 44 -4.425 15.204 11.635 1.00 0.00 H new ATOM 0 HA HIS A 44 -6.088 14.767 13.981 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -6.308 15.949 11.386 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -7.505 14.670 11.440 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -9.678 16.444 11.926 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -8.291 17.882 15.644 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -10.297 17.872 14.052 1.00 0.00 H new ATOM 563 N SER A 45 -7.545 12.655 12.793 1.00 0.00 N ATOM 564 CA SER A 45 -7.929 11.224 12.632 1.00 0.00 C ATOM 565 C SER A 45 -8.059 10.890 11.144 1.00 0.00 C ATOM 566 O SER A 45 -8.179 9.742 10.766 1.00 0.00 O ATOM 567 CB SER A 45 -9.268 10.975 13.326 1.00 0.00 C ATOM 568 OG SER A 45 -9.069 10.950 14.734 1.00 0.00 O ATOM 0 H SER A 45 -8.323 13.301 12.921 1.00 0.00 H new ATOM 0 HA SER A 45 -7.162 10.592 13.079 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.979 11.758 13.061 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.695 10.030 12.990 1.00 0.00 H new ATOM 0 HG SER A 45 -9.646 10.266 15.134 1.00 0.00 H new ATOM 574 N LEU A 46 -8.039 11.882 10.296 1.00 0.00 N ATOM 575 CA LEU A 46 -8.164 11.615 8.835 1.00 0.00 C ATOM 576 C LEU A 46 -7.112 10.590 8.406 1.00 0.00 C ATOM 577 O LEU A 46 -7.408 9.628 7.724 1.00 0.00 O ATOM 578 CB LEU A 46 -7.948 12.917 8.056 1.00 0.00 C ATOM 579 CG LEU A 46 -8.895 12.974 6.851 1.00 0.00 C ATOM 580 CD1 LEU A 46 -8.965 11.604 6.170 1.00 0.00 C ATOM 581 CD2 LEU A 46 -10.293 13.378 7.325 1.00 0.00 C ATOM 0 H LEU A 46 -7.942 12.865 10.551 1.00 0.00 H new ATOM 0 HA LEU A 46 -9.160 11.223 8.626 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.124 13.773 8.707 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.913 12.981 7.719 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.520 13.707 6.137 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.640 11.656 5.316 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.971 11.316 5.829 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.334 10.863 6.879 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.969 13.420 6.471 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.660 12.644 8.043 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.247 14.358 7.799 1.00 0.00 H new ATOM 593 N LYS A 47 -5.883 10.791 8.795 1.00 0.00 N ATOM 594 CA LYS A 47 -4.811 9.833 8.405 1.00 0.00 C ATOM 595 C LYS A 47 -5.177 8.425 8.875 1.00 0.00 C ATOM 596 O LYS A 47 -5.296 7.507 8.083 1.00 0.00 O ATOM 597 CB LYS A 47 -3.488 10.258 9.047 1.00 0.00 C ATOM 598 CG LYS A 47 -2.600 10.914 7.989 1.00 0.00 C ATOM 599 CD LYS A 47 -1.962 12.179 8.565 1.00 0.00 C ATOM 600 CE LYS A 47 -0.726 12.548 7.742 1.00 0.00 C ATOM 601 NZ LYS A 47 -0.251 13.904 8.138 1.00 0.00 N ATOM 0 H LYS A 47 -5.575 11.578 9.366 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.707 9.833 7.320 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.675 10.955 9.864 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.984 9.392 9.475 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.825 10.218 7.668 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.191 11.162 7.107 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.679 13.000 8.551 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.683 12.017 9.606 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.063 11.814 7.902 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.966 12.531 6.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.589 14.155 7.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.004 14.600 7.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.007 13.905 9.149 1.00 0.00 H new ATOM 615 N ALA A 48 -5.355 8.236 10.154 1.00 0.00 N ATOM 616 CA ALA A 48 -5.708 6.879 10.651 1.00 0.00 C ATOM 617 C ALA A 48 -6.840 6.313 9.799 1.00 0.00 C ATOM 618 O ALA A 48 -6.738 5.220 9.278 1.00 0.00 O ATOM 619 CB ALA A 48 -6.144 6.948 12.109 1.00 0.00 C ATOM 0 H ALA A 48 -5.272 8.957 10.870 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.834 6.231 10.580 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.399 5.948 12.460 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -5.330 7.348 12.714 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.015 7.597 12.198 1.00 0.00 H new ATOM 625 N MET A 49 -7.915 7.044 9.627 1.00 0.00 N ATOM 626 CA MET A 49 -9.017 6.515 8.775 1.00 0.00 C ATOM 627 C MET A 49 -8.380 5.998 7.491 1.00 0.00 C ATOM 628 O MET A 49 -8.598 4.877 7.087 1.00 0.00 O ATOM 629 CB MET A 49 -10.024 7.622 8.434 1.00 0.00 C ATOM 630 CG MET A 49 -11.363 7.046 7.908 1.00 0.00 C ATOM 631 SD MET A 49 -11.256 5.261 7.544 1.00 0.00 S ATOM 632 CE MET A 49 -11.957 5.292 5.875 1.00 0.00 C ATOM 0 H MET A 49 -8.073 7.966 10.033 1.00 0.00 H new ATOM 0 HA MET A 49 -9.554 5.726 9.303 1.00 0.00 H new ATOM 0 HB2 MET A 49 -10.213 8.226 9.321 1.00 0.00 H new ATOM 0 HB3 MET A 49 -9.594 8.284 7.683 1.00 0.00 H new ATOM 0 HG2 MET A 49 -12.145 7.217 8.648 1.00 0.00 H new ATOM 0 HG3 MET A 49 -11.656 7.581 7.005 1.00 0.00 H new ATOM 0 HE1 MET A 49 -11.897 4.296 5.437 1.00 0.00 H new ATOM 0 HE2 MET A 49 -13.000 5.605 5.924 1.00 0.00 H new ATOM 0 HE3 MET A 49 -11.396 5.994 5.258 1.00 0.00 H new ATOM 642 N ALA A 50 -7.553 6.797 6.866 1.00 0.00 N ATOM 643 CA ALA A 50 -6.872 6.321 5.637 1.00 0.00 C ATOM 644 C ALA A 50 -6.309 4.937 5.942 1.00 0.00 C ATOM 645 O ALA A 50 -6.415 4.019 5.153 1.00 0.00 O ATOM 646 CB ALA A 50 -5.736 7.277 5.268 1.00 0.00 C ATOM 0 H ALA A 50 -7.325 7.748 7.154 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.567 6.280 4.798 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.240 6.921 4.365 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.142 8.273 5.091 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.016 7.318 6.085 1.00 0.00 H new ATOM 652 N VAL A 51 -5.744 4.773 7.111 1.00 0.00 N ATOM 653 CA VAL A 51 -5.214 3.439 7.495 1.00 0.00 C ATOM 654 C VAL A 51 -6.387 2.457 7.499 1.00 0.00 C ATOM 655 O VAL A 51 -6.388 1.468 6.790 1.00 0.00 O ATOM 656 CB VAL A 51 -4.592 3.517 8.893 1.00 0.00 C ATOM 657 CG1 VAL A 51 -3.841 2.219 9.196 1.00 0.00 C ATOM 658 CG2 VAL A 51 -3.611 4.694 8.957 1.00 0.00 C ATOM 0 H VAL A 51 -5.629 5.506 7.811 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.447 3.111 6.793 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.384 3.661 9.628 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.400 2.278 10.191 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.535 1.379 9.156 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.053 2.074 8.457 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.170 4.747 9.953 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.822 4.551 8.218 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.142 5.622 8.746 1.00 0.00 H new ATOM 668 N ALA A 52 -7.405 2.736 8.270 1.00 0.00 N ATOM 669 CA ALA A 52 -8.582 1.828 8.280 1.00 0.00 C ATOM 670 C ALA A 52 -8.975 1.571 6.830 1.00 0.00 C ATOM 671 O ALA A 52 -9.190 0.448 6.420 1.00 0.00 O ATOM 672 CB ALA A 52 -9.747 2.490 9.019 1.00 0.00 C ATOM 0 H ALA A 52 -7.470 3.546 8.887 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.339 0.894 8.787 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -10.605 1.818 9.022 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -9.451 2.705 10.046 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.015 3.419 8.517 1.00 0.00 H new ATOM 678 N ALA A 53 -9.036 2.611 6.041 1.00 0.00 N ATOM 679 CA ALA A 53 -9.375 2.433 4.607 1.00 0.00 C ATOM 680 C ALA A 53 -8.347 1.478 4.016 1.00 0.00 C ATOM 681 O ALA A 53 -8.669 0.592 3.252 1.00 0.00 O ATOM 682 CB ALA A 53 -9.312 3.781 3.884 1.00 0.00 C ATOM 0 H ALA A 53 -8.865 3.574 6.331 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.383 2.035 4.494 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -9.562 3.642 2.832 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.023 4.471 4.338 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.306 4.191 3.966 1.00 0.00 H new ATOM 688 N GLN A 54 -7.106 1.636 4.396 1.00 0.00 N ATOM 689 CA GLN A 54 -6.056 0.715 3.888 1.00 0.00 C ATOM 690 C GLN A 54 -6.501 -0.707 4.208 1.00 0.00 C ATOM 691 O GLN A 54 -6.253 -1.633 3.465 1.00 0.00 O ATOM 692 CB GLN A 54 -4.729 1.008 4.590 1.00 0.00 C ATOM 693 CG GLN A 54 -3.622 0.172 3.948 1.00 0.00 C ATOM 694 CD GLN A 54 -2.971 0.964 2.812 1.00 0.00 C ATOM 695 OE1 GLN A 54 -2.660 2.217 3.000 1.00 0.00 O flip ATOM 696 NE2 GLN A 54 -2.741 0.436 1.742 1.00 0.00 N flip ATOM 0 H GLN A 54 -6.778 2.361 5.034 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.917 0.844 2.815 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -4.490 2.069 4.513 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.807 0.775 5.652 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -2.874 -0.093 4.695 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -4.034 -0.761 3.564 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -2.984 -0.544 1.594 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -2.305 0.972 0.992 1.00 0.00 H new ATOM 705 N VAL A 55 -7.174 -0.875 5.313 1.00 0.00 N ATOM 706 CA VAL A 55 -7.660 -2.228 5.697 1.00 0.00 C ATOM 707 C VAL A 55 -8.764 -2.658 4.728 1.00 0.00 C ATOM 708 O VAL A 55 -8.716 -3.726 4.155 1.00 0.00 O ATOM 709 CB VAL A 55 -8.222 -2.183 7.120 1.00 0.00 C ATOM 710 CG1 VAL A 55 -8.338 -3.605 7.669 1.00 0.00 C ATOM 711 CG2 VAL A 55 -7.286 -1.366 8.017 1.00 0.00 C ATOM 0 H VAL A 55 -7.409 -0.129 5.968 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.836 -2.940 5.655 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.207 -1.717 7.104 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.738 -3.572 8.682 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.006 -4.187 7.034 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.353 -4.071 7.683 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.688 -1.335 9.030 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.300 -1.830 8.032 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.204 -0.351 7.628 1.00 0.00 H new ATOM 721 N HIS A 56 -9.756 -1.831 4.535 1.00 0.00 N ATOM 722 CA HIS A 56 -10.858 -2.193 3.598 1.00 0.00 C ATOM 723 C HIS A 56 -10.303 -2.274 2.173 1.00 0.00 C ATOM 724 O HIS A 56 -10.690 -3.120 1.392 1.00 0.00 O ATOM 725 CB HIS A 56 -11.955 -1.124 3.664 1.00 0.00 C ATOM 726 CG HIS A 56 -13.259 -1.716 3.199 1.00 0.00 C ATOM 727 ND1 HIS A 56 -14.486 -1.169 3.545 1.00 0.00 N ATOM 728 CD2 HIS A 56 -13.543 -2.806 2.415 1.00 0.00 C ATOM 729 CE1 HIS A 56 -15.441 -1.927 2.976 1.00 0.00 C ATOM 730 NE2 HIS A 56 -14.920 -2.939 2.276 1.00 0.00 N ATOM 0 H HIS A 56 -9.851 -0.921 4.986 1.00 0.00 H new ATOM 0 HA HIS A 56 -11.278 -3.158 3.880 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -12.055 -0.752 4.684 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -11.686 -0.272 3.039 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -12.808 -3.462 1.973 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -16.500 -1.740 3.073 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -15.424 -3.655 1.752 1.00 0.00 H new ATOM 738 N ARG A 57 -9.393 -1.404 1.831 1.00 0.00 N ATOM 739 CA ARG A 57 -8.807 -1.440 0.461 1.00 0.00 C ATOM 740 C ARG A 57 -7.920 -2.679 0.339 1.00 0.00 C ATOM 741 O ARG A 57 -7.803 -3.275 -0.713 1.00 0.00 O ATOM 742 CB ARG A 57 -7.970 -0.179 0.230 1.00 0.00 C ATOM 743 CG ARG A 57 -8.819 1.058 0.532 1.00 0.00 C ATOM 744 CD ARG A 57 -8.803 2.000 -0.676 1.00 0.00 C ATOM 745 NE ARG A 57 -9.418 3.306 -0.297 1.00 0.00 N ATOM 746 CZ ARG A 57 -9.346 4.322 -1.113 1.00 0.00 C ATOM 747 NH1 ARG A 57 -10.080 4.347 -2.191 1.00 0.00 N ATOM 748 NH2 ARG A 57 -8.543 5.317 -0.848 1.00 0.00 N ATOM 0 H ARG A 57 -9.030 -0.671 2.440 1.00 0.00 H new ATOM 0 HA ARG A 57 -9.601 -1.480 -0.284 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.088 -0.193 0.870 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.616 -0.148 -0.801 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -9.843 0.762 0.761 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.431 1.572 1.412 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.779 2.153 -1.017 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.352 1.554 -1.505 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.894 3.404 0.599 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.711 3.572 -2.397 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.023 5.141 -2.828 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -7.972 5.300 -0.003 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -8.487 6.111 -1.486 1.00 0.00 H new ATOM 762 N GLU A 58 -7.302 -3.076 1.418 1.00 0.00 N ATOM 763 CA GLU A 58 -6.429 -4.281 1.386 1.00 0.00 C ATOM 764 C GLU A 58 -7.305 -5.530 1.507 1.00 0.00 C ATOM 765 O GLU A 58 -7.260 -6.418 0.679 1.00 0.00 O ATOM 766 CB GLU A 58 -5.450 -4.224 2.563 1.00 0.00 C ATOM 767 CG GLU A 58 -4.144 -3.539 2.136 1.00 0.00 C ATOM 768 CD GLU A 58 -4.440 -2.371 1.188 1.00 0.00 C ATOM 769 OE1 GLU A 58 -4.799 -1.312 1.676 1.00 0.00 O ATOM 770 OE2 GLU A 58 -4.298 -2.557 -0.009 1.00 0.00 O ATOM 0 H GLU A 58 -7.366 -2.614 2.325 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.870 -4.314 0.451 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.900 -3.679 3.393 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.240 -5.232 2.920 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.611 -3.176 3.015 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.492 -4.260 1.643 1.00 0.00 H new ATOM 777 N TYR A 59 -8.111 -5.597 2.533 1.00 0.00 N ATOM 778 CA TYR A 59 -9.004 -6.777 2.711 1.00 0.00 C ATOM 779 C TYR A 59 -10.462 -6.314 2.674 1.00 0.00 C ATOM 780 O TYR A 59 -10.751 -5.143 2.539 1.00 0.00 O ATOM 781 CB TYR A 59 -8.743 -7.447 4.067 1.00 0.00 C ATOM 782 CG TYR A 59 -7.365 -7.099 4.577 1.00 0.00 C ATOM 783 CD1 TYR A 59 -7.162 -5.900 5.270 1.00 0.00 C ATOM 784 CD2 TYR A 59 -6.297 -7.978 4.370 1.00 0.00 C ATOM 785 CE1 TYR A 59 -5.889 -5.579 5.754 1.00 0.00 C ATOM 786 CE2 TYR A 59 -5.025 -7.659 4.855 1.00 0.00 C ATOM 787 CZ TYR A 59 -4.820 -6.459 5.547 1.00 0.00 C ATOM 788 OH TYR A 59 -3.564 -6.143 6.027 1.00 0.00 O ATOM 0 H TYR A 59 -8.189 -4.883 3.257 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.805 -7.489 1.910 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.495 -7.126 4.788 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.837 -8.528 3.968 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.988 -5.223 5.431 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.455 -8.903 3.836 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.731 -4.653 6.287 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -4.200 -8.338 4.696 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.937 -6.861 5.799 1.00 0.00 H new ATOM 798 N GLN A 60 -11.376 -7.228 2.824 1.00 0.00 N ATOM 799 CA GLN A 60 -12.817 -6.858 2.834 1.00 0.00 C ATOM 800 C GLN A 60 -13.304 -6.948 4.276 1.00 0.00 C ATOM 801 O GLN A 60 -14.352 -7.488 4.567 1.00 0.00 O ATOM 802 CB GLN A 60 -13.613 -7.832 1.959 1.00 0.00 C ATOM 803 CG GLN A 60 -13.972 -7.153 0.636 1.00 0.00 C ATOM 804 CD GLN A 60 -12.970 -7.570 -0.441 1.00 0.00 C ATOM 805 OE1 GLN A 60 -12.493 -8.687 -0.443 1.00 0.00 O ATOM 806 NE2 GLN A 60 -12.630 -6.715 -1.366 1.00 0.00 N ATOM 0 H GLN A 60 -11.186 -8.223 2.941 1.00 0.00 H new ATOM 0 HA GLN A 60 -12.955 -5.851 2.441 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -13.026 -8.731 1.771 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -14.519 -8.145 2.477 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -14.982 -7.431 0.335 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -13.962 -6.070 0.757 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -13.030 -5.777 -1.365 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -11.964 -6.985 -2.090 1.00 0.00 H new ATOM 815 N VAL A 61 -12.525 -6.429 5.183 1.00 0.00 N ATOM 816 CA VAL A 61 -12.897 -6.484 6.622 1.00 0.00 C ATOM 817 C VAL A 61 -13.640 -5.207 7.012 1.00 0.00 C ATOM 818 O VAL A 61 -13.200 -4.108 6.739 1.00 0.00 O ATOM 819 CB VAL A 61 -11.624 -6.605 7.450 1.00 0.00 C ATOM 820 CG1 VAL A 61 -11.978 -6.939 8.899 1.00 0.00 C ATOM 821 CG2 VAL A 61 -10.737 -7.709 6.867 1.00 0.00 C ATOM 0 H VAL A 61 -11.638 -5.965 4.986 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.545 -7.341 6.804 1.00 0.00 H new ATOM 0 HB VAL A 61 -11.086 -5.657 7.424 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -11.064 -7.024 9.486 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -12.603 -6.147 9.313 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -12.520 -7.884 8.933 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -9.826 -7.795 7.460 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.275 -8.657 6.888 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -10.478 -7.462 5.838 1.00 0.00 H new ATOM 831 N GLU A 62 -14.772 -5.347 7.647 1.00 0.00 N ATOM 832 CA GLU A 62 -15.554 -4.148 8.055 1.00 0.00 C ATOM 833 C GLU A 62 -14.832 -3.423 9.192 1.00 0.00 C ATOM 834 O GLU A 62 -14.856 -3.850 10.329 1.00 0.00 O ATOM 835 CB GLU A 62 -16.939 -4.589 8.531 1.00 0.00 C ATOM 836 CG GLU A 62 -17.962 -3.501 8.200 1.00 0.00 C ATOM 837 CD GLU A 62 -19.193 -4.138 7.551 1.00 0.00 C ATOM 838 OE1 GLU A 62 -19.822 -4.959 8.198 1.00 0.00 O ATOM 839 OE2 GLU A 62 -19.485 -3.795 6.417 1.00 0.00 O ATOM 0 H GLU A 62 -15.189 -6.243 7.901 1.00 0.00 H new ATOM 0 HA GLU A 62 -15.654 -3.473 7.205 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -17.220 -5.526 8.049 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.924 -4.775 9.605 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -18.250 -2.970 9.107 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.522 -2.766 7.526 1.00 0.00 H new ATOM 846 N LEU A 63 -14.193 -2.324 8.893 1.00 0.00 N ATOM 847 CA LEU A 63 -13.475 -1.563 9.953 1.00 0.00 C ATOM 848 C LEU A 63 -13.995 -0.119 9.970 1.00 0.00 C ATOM 849 O LEU A 63 -13.615 0.679 9.136 1.00 0.00 O ATOM 850 CB LEU A 63 -11.971 -1.568 9.654 1.00 0.00 C ATOM 851 CG LEU A 63 -11.287 -2.633 10.513 1.00 0.00 C ATOM 852 CD1 LEU A 63 -9.774 -2.551 10.324 1.00 0.00 C ATOM 853 CD2 LEU A 63 -11.619 -2.385 11.980 1.00 0.00 C ATOM 0 H LEU A 63 -14.138 -1.920 7.958 1.00 0.00 H new ATOM 0 HA LEU A 63 -13.648 -2.026 10.925 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.800 -1.772 8.597 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.544 -0.587 9.863 1.00 0.00 H new ATOM 0 HG LEU A 63 -11.639 -3.620 10.213 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.289 -3.311 10.937 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.529 -2.720 9.275 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.423 -1.564 10.624 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.133 -3.142 12.596 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.263 -1.397 12.272 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.698 -2.439 12.123 1.00 0.00 H new ATOM 865 N PRO A 64 -14.861 0.169 10.911 1.00 0.00 N ATOM 866 CA PRO A 64 -15.466 1.504 11.049 1.00 0.00 C ATOM 867 C PRO A 64 -14.502 2.457 11.758 1.00 0.00 C ATOM 868 O PRO A 64 -13.612 2.039 12.474 1.00 0.00 O ATOM 869 CB PRO A 64 -16.707 1.249 11.906 1.00 0.00 C ATOM 870 CG PRO A 64 -16.442 -0.068 12.679 1.00 0.00 C ATOM 871 CD PRO A 64 -15.316 -0.805 11.925 1.00 0.00 C ATOM 0 HA PRO A 64 -15.703 1.968 10.091 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -16.880 2.076 12.595 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -17.598 1.162 11.284 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -16.148 0.140 13.708 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -17.343 -0.679 12.723 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.506 -1.088 12.597 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -15.681 -1.722 11.461 1.00 0.00 H new ATOM 879 N LEU A 65 -14.670 3.736 11.567 1.00 0.00 N ATOM 880 CA LEU A 65 -13.763 4.713 12.230 1.00 0.00 C ATOM 881 C LEU A 65 -13.811 4.493 13.742 1.00 0.00 C ATOM 882 O LEU A 65 -12.792 4.472 14.404 1.00 0.00 O ATOM 883 CB LEU A 65 -14.210 6.139 11.890 1.00 0.00 C ATOM 884 CG LEU A 65 -13.488 6.633 10.626 1.00 0.00 C ATOM 885 CD1 LEU A 65 -12.082 7.118 10.985 1.00 0.00 C ATOM 886 CD2 LEU A 65 -13.376 5.500 9.603 1.00 0.00 C ATOM 0 H LEU A 65 -15.396 4.147 10.980 1.00 0.00 H new ATOM 0 HA LEU A 65 -12.742 4.570 11.877 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -15.289 6.163 11.735 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -13.994 6.805 12.725 1.00 0.00 H new ATOM 0 HG LEU A 65 -14.064 7.454 10.198 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.576 7.467 10.084 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -12.151 7.936 11.702 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.515 6.297 11.425 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -12.863 5.863 8.713 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -12.812 4.674 10.035 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -14.374 5.155 9.331 1.00 0.00 H new ATOM 898 N LYS A 66 -14.981 4.314 14.300 1.00 0.00 N ATOM 899 CA LYS A 66 -15.062 4.081 15.770 1.00 0.00 C ATOM 900 C LYS A 66 -14.090 2.962 16.133 1.00 0.00 C ATOM 901 O LYS A 66 -13.262 3.105 17.012 1.00 0.00 O ATOM 902 CB LYS A 66 -16.487 3.677 16.171 1.00 0.00 C ATOM 903 CG LYS A 66 -17.158 2.917 15.025 1.00 0.00 C ATOM 904 CD LYS A 66 -17.857 1.672 15.577 1.00 0.00 C ATOM 905 CE LYS A 66 -19.339 1.980 15.808 1.00 0.00 C ATOM 906 NZ LYS A 66 -19.826 1.231 17.002 1.00 0.00 N ATOM 0 H LYS A 66 -15.874 4.319 13.806 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.803 4.997 16.301 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -16.459 3.053 17.065 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -17.069 4.564 16.420 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -17.881 3.560 14.522 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -16.415 2.630 14.281 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -17.751 0.842 14.878 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -17.389 1.363 16.511 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -19.479 3.051 15.956 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -19.920 1.701 14.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -20.833 1.442 17.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -19.706 0.210 16.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -19.279 1.518 17.839 1.00 0.00 H new ATOM 920 N VAL A 67 -14.165 1.854 15.447 1.00 0.00 N ATOM 921 CA VAL A 67 -13.225 0.742 15.740 1.00 0.00 C ATOM 922 C VAL A 67 -11.810 1.319 15.739 1.00 0.00 C ATOM 923 O VAL A 67 -11.015 1.052 16.619 1.00 0.00 O ATOM 924 CB VAL A 67 -13.367 -0.338 14.658 1.00 0.00 C ATOM 925 CG1 VAL A 67 -12.067 -1.135 14.527 1.00 0.00 C ATOM 926 CG2 VAL A 67 -14.499 -1.292 15.043 1.00 0.00 C ATOM 0 H VAL A 67 -14.835 1.674 14.699 1.00 0.00 H new ATOM 0 HA VAL A 67 -13.440 0.289 16.708 1.00 0.00 H new ATOM 0 HB VAL A 67 -13.588 0.144 13.706 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.183 -1.897 13.756 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.254 -0.463 14.253 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -11.836 -1.614 15.479 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -14.603 -2.061 14.277 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.270 -1.762 16.000 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -15.432 -0.735 15.127 1.00 0.00 H new ATOM 936 N LEU A 68 -11.498 2.124 14.761 1.00 0.00 N ATOM 937 CA LEU A 68 -10.144 2.737 14.711 1.00 0.00 C ATOM 938 C LEU A 68 -9.920 3.517 16.004 1.00 0.00 C ATOM 939 O LEU A 68 -8.803 3.721 16.438 1.00 0.00 O ATOM 940 CB LEU A 68 -10.049 3.681 13.507 1.00 0.00 C ATOM 941 CG LEU A 68 -8.589 3.793 13.071 1.00 0.00 C ATOM 942 CD1 LEU A 68 -8.332 2.862 11.886 1.00 0.00 C ATOM 943 CD2 LEU A 68 -8.281 5.229 12.651 1.00 0.00 C ATOM 0 H LEU A 68 -12.122 2.382 13.996 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.384 1.963 14.608 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -10.659 3.305 12.686 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -10.439 4.664 13.769 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.949 3.511 13.907 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -7.290 2.945 11.578 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.543 1.834 12.179 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.979 3.143 11.055 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.238 5.302 12.341 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.927 5.511 11.820 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -8.457 5.900 13.492 1.00 0.00 H new ATOM 955 N PHE A 69 -10.986 3.944 16.631 1.00 0.00 N ATOM 956 CA PHE A 69 -10.853 4.700 17.907 1.00 0.00 C ATOM 957 C PHE A 69 -10.787 3.708 19.069 1.00 0.00 C ATOM 958 O PHE A 69 -10.066 3.901 20.028 1.00 0.00 O ATOM 959 CB PHE A 69 -12.067 5.613 18.090 1.00 0.00 C ATOM 960 CG PHE A 69 -11.826 6.925 17.384 1.00 0.00 C ATOM 961 CD1 PHE A 69 -11.088 7.932 18.017 1.00 0.00 C ATOM 962 CD2 PHE A 69 -12.341 7.137 16.099 1.00 0.00 C ATOM 963 CE1 PHE A 69 -10.863 9.150 17.364 1.00 0.00 C ATOM 964 CE2 PHE A 69 -12.116 8.355 15.446 1.00 0.00 C ATOM 965 CZ PHE A 69 -11.378 9.362 16.080 1.00 0.00 C ATOM 0 H PHE A 69 -11.944 3.800 16.311 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.946 5.304 17.883 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -12.960 5.132 17.690 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -12.247 5.787 19.151 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -10.692 7.770 19.009 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -12.912 6.361 15.611 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -10.292 9.926 17.851 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -12.511 8.518 14.454 1.00 0.00 H new ATOM 0 HZ PHE A 69 -11.206 10.303 15.578 1.00 0.00 H new ATOM 975 N ALA A 70 -11.536 2.641 18.983 1.00 0.00 N ATOM 976 CA ALA A 70 -11.528 1.623 20.071 1.00 0.00 C ATOM 977 C ALA A 70 -10.182 0.905 20.080 1.00 0.00 C ATOM 978 O ALA A 70 -9.716 0.442 21.102 1.00 0.00 O ATOM 979 CB ALA A 70 -12.623 0.586 19.803 1.00 0.00 C ATOM 0 H ALA A 70 -12.156 2.431 18.201 1.00 0.00 H new ATOM 0 HA ALA A 70 -11.700 2.117 21.027 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -12.620 -0.160 20.597 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -13.594 1.081 19.774 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -12.436 0.098 18.846 1.00 0.00 H new ATOM 985 N GLN A 71 -9.575 0.783 18.936 1.00 0.00 N ATOM 986 CA GLN A 71 -8.276 0.060 18.849 1.00 0.00 C ATOM 987 C GLN A 71 -7.400 0.741 17.795 1.00 0.00 C ATOM 988 O GLN A 71 -7.105 0.167 16.766 1.00 0.00 O ATOM 989 CB GLN A 71 -8.532 -1.406 18.450 1.00 0.00 C ATOM 990 CG GLN A 71 -10.041 -1.641 18.261 1.00 0.00 C ATOM 991 CD GLN A 71 -10.362 -3.130 18.340 1.00 0.00 C ATOM 992 OE1 GLN A 71 -9.511 -3.966 18.113 1.00 0.00 O ATOM 993 NE2 GLN A 71 -11.575 -3.494 18.655 1.00 0.00 N ATOM 0 H GLN A 71 -9.923 1.154 18.052 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.770 0.083 19.814 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.000 -1.639 17.527 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -8.144 -2.074 19.219 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.598 -1.101 19.027 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.359 -1.245 17.297 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.286 -2.788 18.845 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.812 -4.485 18.711 1.00 0.00 H new ATOM 1002 N PRO A 72 -7.017 1.957 18.090 1.00 0.00 N ATOM 1003 CA PRO A 72 -6.178 2.770 17.195 1.00 0.00 C ATOM 1004 C PRO A 72 -4.717 2.325 17.276 1.00 0.00 C ATOM 1005 O PRO A 72 -3.833 3.117 17.532 1.00 0.00 O ATOM 1006 CB PRO A 72 -6.347 4.192 17.738 1.00 0.00 C ATOM 1007 CG PRO A 72 -6.800 4.047 19.209 1.00 0.00 C ATOM 1008 CD PRO A 72 -7.388 2.632 19.351 1.00 0.00 C ATOM 0 HA PRO A 72 -6.462 2.682 16.146 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.411 4.746 17.673 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.086 4.744 17.157 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.960 4.187 19.889 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.544 4.803 19.462 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.975 2.114 20.216 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -8.469 2.662 19.484 1.00 0.00 H new ATOM 1016 N THR A 73 -4.455 1.065 17.063 1.00 0.00 N ATOM 1017 CA THR A 73 -3.048 0.587 17.123 1.00 0.00 C ATOM 1018 C THR A 73 -2.869 -0.638 16.212 1.00 0.00 C ATOM 1019 O THR A 73 -3.824 -1.289 15.854 1.00 0.00 O ATOM 1020 CB THR A 73 -2.692 0.241 18.554 1.00 0.00 C ATOM 1021 OG1 THR A 73 -1.358 -0.192 18.573 1.00 0.00 O ATOM 1022 CG2 THR A 73 -3.613 -0.859 19.070 1.00 0.00 C ATOM 0 H THR A 73 -5.151 0.350 16.851 1.00 0.00 H new ATOM 0 HA THR A 73 -2.382 1.376 16.774 1.00 0.00 H new ATOM 0 HB THR A 73 -2.814 1.112 19.198 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.848 0.288 17.887 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.349 -1.101 20.100 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.647 -0.516 19.031 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.502 -1.748 18.449 1.00 0.00 H new ATOM 1030 N ILE A 74 -1.652 -0.940 15.815 1.00 0.00 N ATOM 1031 CA ILE A 74 -1.423 -2.100 14.889 1.00 0.00 C ATOM 1032 C ILE A 74 -1.799 -3.430 15.535 1.00 0.00 C ATOM 1033 O ILE A 74 -2.640 -4.144 15.033 1.00 0.00 O ATOM 1034 CB ILE A 74 0.041 -2.155 14.459 1.00 0.00 C ATOM 1035 CG1 ILE A 74 0.537 -0.732 14.190 1.00 0.00 C ATOM 1036 CG2 ILE A 74 0.147 -2.999 13.187 1.00 0.00 C ATOM 1037 CD1 ILE A 74 1.844 -0.759 13.391 1.00 0.00 C ATOM 0 H ILE A 74 -0.810 -0.435 16.091 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.064 -1.945 14.021 1.00 0.00 H new ATOM 0 HB ILE A 74 0.652 -2.602 15.243 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.221 -0.175 13.639 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.692 -0.211 15.134 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.188 -3.047 12.868 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.218 -4.006 13.387 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.454 -2.546 12.398 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.181 0.262 13.210 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.605 -1.297 13.956 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.677 -1.261 12.438 1.00 0.00 H new ATOM 1049 N LYS A 75 -1.173 -3.782 16.623 1.00 0.00 N ATOM 1050 CA LYS A 75 -1.492 -5.082 17.279 1.00 0.00 C ATOM 1051 C LYS A 75 -3.000 -5.304 17.229 1.00 0.00 C ATOM 1052 O LYS A 75 -3.480 -6.312 16.750 1.00 0.00 O ATOM 1053 CB LYS A 75 -1.024 -5.048 18.737 1.00 0.00 C ATOM 1054 CG LYS A 75 -1.611 -6.243 19.493 1.00 0.00 C ATOM 1055 CD LYS A 75 -0.534 -6.864 20.387 1.00 0.00 C ATOM 1056 CE LYS A 75 -1.172 -7.901 21.315 1.00 0.00 C ATOM 1057 NZ LYS A 75 -2.432 -7.347 21.889 1.00 0.00 N ATOM 0 H LYS A 75 -0.454 -3.226 17.087 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.983 -5.894 16.759 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.065 -5.076 18.781 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.338 -4.117 19.209 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.460 -5.923 20.098 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.984 -6.985 18.787 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.235 -7.334 19.774 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.043 -6.088 20.975 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.383 -8.817 20.763 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.480 -8.163 22.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.630 -7.807 22.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.327 -6.322 22.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.220 -7.525 21.234 1.00 0.00 H new ATOM 1071 N ALA A 76 -3.746 -4.354 17.707 1.00 0.00 N ATOM 1072 CA ALA A 76 -5.223 -4.481 17.690 1.00 0.00 C ATOM 1073 C ALA A 76 -5.743 -4.390 16.247 1.00 0.00 C ATOM 1074 O ALA A 76 -6.344 -5.319 15.752 1.00 0.00 O ATOM 1075 CB ALA A 76 -5.819 -3.360 18.544 1.00 0.00 C ATOM 0 H ALA A 76 -3.392 -3.487 18.112 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.519 -5.448 18.097 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.906 -3.440 18.542 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.451 -3.447 19.566 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.525 -2.394 18.133 1.00 0.00 H new ATOM 1081 N LEU A 77 -5.521 -3.292 15.560 1.00 0.00 N ATOM 1082 CA LEU A 77 -6.019 -3.194 14.149 1.00 0.00 C ATOM 1083 C LEU A 77 -5.684 -4.495 13.422 1.00 0.00 C ATOM 1084 O LEU A 77 -6.552 -5.192 12.936 1.00 0.00 O ATOM 1085 CB LEU A 77 -5.340 -2.029 13.412 1.00 0.00 C ATOM 1086 CG LEU A 77 -6.384 -1.007 12.951 1.00 0.00 C ATOM 1087 CD1 LEU A 77 -7.132 -1.547 11.750 1.00 0.00 C ATOM 1088 CD2 LEU A 77 -7.373 -0.728 14.082 1.00 0.00 C ATOM 0 H LEU A 77 -5.025 -2.472 15.908 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.095 -3.022 14.165 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.616 -1.547 14.069 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.788 -2.407 12.552 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.878 -0.081 12.678 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.874 -0.817 11.425 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.429 -1.736 10.939 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.632 -2.477 12.021 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.113 -0.000 13.747 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.876 -1.654 14.362 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.837 -0.331 14.944 1.00 0.00 H new ATOM 1100 N ALA A 78 -4.424 -4.828 13.353 1.00 0.00 N ATOM 1101 CA ALA A 78 -4.025 -6.085 12.669 1.00 0.00 C ATOM 1102 C ALA A 78 -4.873 -7.233 13.212 1.00 0.00 C ATOM 1103 O ALA A 78 -5.315 -8.089 12.477 1.00 0.00 O ATOM 1104 CB ALA A 78 -2.543 -6.365 12.933 1.00 0.00 C ATOM 0 H ALA A 78 -3.655 -4.282 13.742 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.182 -5.989 11.595 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.252 -7.287 12.431 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.943 -5.539 12.551 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.378 -6.468 14.005 1.00 0.00 H new ATOM 1110 N GLN A 79 -5.112 -7.257 14.498 1.00 0.00 N ATOM 1111 CA GLN A 79 -5.942 -8.353 15.071 1.00 0.00 C ATOM 1112 C GLN A 79 -7.399 -8.162 14.628 1.00 0.00 C ATOM 1113 O GLN A 79 -8.116 -9.113 14.392 1.00 0.00 O ATOM 1114 CB GLN A 79 -5.807 -8.330 16.608 1.00 0.00 C ATOM 1115 CG GLN A 79 -7.107 -7.883 17.297 1.00 0.00 C ATOM 1116 CD GLN A 79 -7.033 -8.230 18.785 1.00 0.00 C ATOM 1117 OE1 GLN A 79 -6.576 -9.295 19.150 1.00 0.00 O ATOM 1118 NE2 GLN A 79 -7.469 -7.372 19.667 1.00 0.00 N ATOM 0 H GLN A 79 -4.770 -6.570 15.170 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.604 -9.325 14.713 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.533 -9.324 16.962 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -4.998 -7.657 16.890 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.251 -6.810 17.168 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.964 -8.377 16.838 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -7.853 -6.478 19.362 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -7.426 -7.596 20.661 1.00 0.00 H new ATOM 1127 N TYR A 80 -7.839 -6.940 14.511 1.00 0.00 N ATOM 1128 CA TYR A 80 -9.241 -6.696 14.078 1.00 0.00 C ATOM 1129 C TYR A 80 -9.416 -7.240 12.663 1.00 0.00 C ATOM 1130 O TYR A 80 -10.440 -7.794 12.314 1.00 0.00 O ATOM 1131 CB TYR A 80 -9.528 -5.195 14.091 1.00 0.00 C ATOM 1132 CG TYR A 80 -11.010 -4.974 13.928 1.00 0.00 C ATOM 1133 CD1 TYR A 80 -11.634 -5.280 12.714 1.00 0.00 C ATOM 1134 CD2 TYR A 80 -11.760 -4.465 14.994 1.00 0.00 C ATOM 1135 CE1 TYR A 80 -13.012 -5.078 12.565 1.00 0.00 C ATOM 1136 CE2 TYR A 80 -13.137 -4.262 14.846 1.00 0.00 C ATOM 1137 CZ TYR A 80 -13.763 -4.568 13.631 1.00 0.00 C ATOM 1138 OH TYR A 80 -15.120 -4.368 13.484 1.00 0.00 O ATOM 0 H TYR A 80 -7.288 -6.102 14.696 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.933 -7.195 14.756 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -9.183 -4.754 15.026 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -8.984 -4.701 13.286 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -11.053 -5.672 11.892 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -11.277 -4.229 15.930 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -13.495 -5.315 11.629 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -13.717 -3.870 15.668 1.00 0.00 H new ATOM 0 HH TYR A 80 -15.325 -4.192 12.542 1.00 0.00 H new ATOM 1148 N VAL A 81 -8.409 -7.092 11.852 1.00 0.00 N ATOM 1149 CA VAL A 81 -8.481 -7.601 10.452 1.00 0.00 C ATOM 1150 C VAL A 81 -8.055 -9.060 10.445 1.00 0.00 C ATOM 1151 O VAL A 81 -8.799 -9.953 10.092 1.00 0.00 O ATOM 1152 CB VAL A 81 -7.489 -6.832 9.567 1.00 0.00 C ATOM 1153 CG1 VAL A 81 -8.104 -6.607 8.191 1.00 0.00 C ATOM 1154 CG2 VAL A 81 -7.142 -5.486 10.207 1.00 0.00 C ATOM 0 H VAL A 81 -7.530 -6.637 12.099 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.498 -7.478 10.079 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.575 -7.417 9.465 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.400 -6.061 7.563 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.330 -7.569 7.732 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.023 -6.029 8.293 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -6.438 -4.951 9.570 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.050 -4.893 10.323 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.691 -5.654 11.185 1.00 0.00 H new ATOM 1164 N ALA A 82 -6.837 -9.281 10.828 1.00 0.00 N ATOM 1165 CA ALA A 82 -6.272 -10.646 10.860 1.00 0.00 C ATOM 1166 C ALA A 82 -7.079 -11.525 11.818 1.00 0.00 C ATOM 1167 O ALA A 82 -7.558 -12.581 11.453 1.00 0.00 O ATOM 1168 CB ALA A 82 -4.832 -10.526 11.342 1.00 0.00 C ATOM 0 H ALA A 82 -6.192 -8.550 11.129 1.00 0.00 H new ATOM 0 HA ALA A 82 -6.310 -11.105 9.872 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.377 -11.516 11.380 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -4.270 -9.894 10.654 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.817 -10.082 12.337 1.00 0.00 H new ATOM 1174 N THR A 83 -7.236 -11.098 13.038 1.00 0.00 N ATOM 1175 CA THR A 83 -8.014 -11.907 14.016 1.00 0.00 C ATOM 1176 C THR A 83 -9.445 -11.373 14.090 1.00 0.00 C ATOM 1177 O THR A 83 -9.873 -10.749 13.133 1.00 0.00 O ATOM 1178 CB THR A 83 -7.360 -11.810 15.397 1.00 0.00 C ATOM 1179 OG1 THR A 83 -5.962 -12.030 15.272 1.00 0.00 O ATOM 1180 CG2 THR A 83 -7.963 -12.866 16.324 1.00 0.00 C ATOM 0 H THR A 83 -6.859 -10.223 13.401 1.00 0.00 H new ATOM 0 HA THR A 83 -8.029 -12.949 13.696 1.00 0.00 H new ATOM 0 HB THR A 83 -7.537 -10.819 15.815 1.00 0.00 H new ATOM 0 HG1 THR A 83 -5.541 -11.967 16.155 1.00 0.00 H new ATOM 0 HG21 THR A 83 -7.497 -12.796 17.307 1.00 0.00 H new ATOM 0 HG22 THR A 83 -9.036 -12.697 16.418 1.00 0.00 H new ATOM 0 HG23 THR A 83 -7.787 -13.858 15.909 1.00 0.00 H new TER 1188 THR A 83