USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 609 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ -127:sc= 0.386 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -105:sc= -1.67 (180deg=-3.8!) USER MOD Single : A 14 HIS : no HE2:sc= 1.16 K(o=1.2,f=-4.2!) USER MOD Single : A 20 LYS NZ :NH3+ -147:sc= -0.204! (180deg=-2.45!) USER MOD Single : A 24 LYS NZ :NH3+ -124:sc= 0.464 (180deg=-0.26) USER MOD Single : A 30 ASN : amide:sc= 0.529 K(o=0.53,f=-1.4) USER MOD Single : A 36 CYS SG : rot -82:sc= 0.335 USER MOD Single : A 39 GLN :FLIP amide:sc= -2.19! C(o=-3.8!,f=-2.2!) USER MOD Single : A 40 ASN : amide:sc= -2.66 X(o=-2.7,f=-2.6!) USER MOD Single : A 42 LYS NZ :NH3+ 171:sc= 0.326 (180deg=0.209) USER MOD Single : A 49 SER OG : rot 73:sc= 0.581 USER MOD Single : A 52 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.112) USER MOD Single : A 54 LYS NZ :NH3+ -113:sc= -7.57! (180deg=-17!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 22:sc= 1.04 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc=-0.00693 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.773 -13.325 3.391 1.00 0.00 N ATOM 2 CA ALA A 1 2.057 -12.151 2.500 1.00 0.00 C ATOM 3 C ALA A 1 1.540 -10.974 3.284 1.00 0.00 C ATOM 4 O ALA A 1 0.993 -11.169 4.348 1.00 0.00 O ATOM 5 CB ALA A 1 1.279 -12.125 1.156 1.00 0.00 C ATOM 0 H1 ALA A 1 2.645 -13.874 3.531 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.425 -12.987 4.311 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.051 -13.929 2.949 1.00 0.00 H new ATOM 0 HA ALA A 1 3.117 -12.168 2.245 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.559 -11.236 0.591 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.524 -13.015 0.577 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.208 -12.105 1.356 1.00 0.00 H new ATOM 13 N PHE A 2 1.699 -9.810 2.752 1.00 0.00 N ATOM 14 CA PHE A 2 1.220 -8.596 3.473 1.00 0.00 C ATOM 15 C PHE A 2 0.264 -8.038 2.440 1.00 0.00 C ATOM 16 O PHE A 2 0.677 -7.888 1.302 1.00 0.00 O ATOM 17 CB PHE A 2 2.428 -7.675 3.724 1.00 0.00 C ATOM 18 CG PHE A 2 2.234 -6.655 4.860 1.00 0.00 C ATOM 19 CD1 PHE A 2 1.045 -5.980 5.051 1.00 0.00 C ATOM 20 CD2 PHE A 2 3.293 -6.392 5.713 1.00 0.00 C ATOM 21 CE1 PHE A 2 0.916 -5.062 6.070 1.00 0.00 C ATOM 22 CE2 PHE A 2 3.164 -5.474 6.733 1.00 0.00 C ATOM 23 CZ PHE A 2 1.973 -4.807 6.913 1.00 0.00 C ATOM 0 H PHE A 2 2.139 -9.636 1.849 1.00 0.00 H new ATOM 0 HA PHE A 2 0.758 -8.744 4.449 1.00 0.00 H new ATOM 0 HB2 PHE A 2 3.297 -8.292 3.953 1.00 0.00 H new ATOM 0 HB3 PHE A 2 2.654 -7.135 2.804 1.00 0.00 H new ATOM 0 HD1 PHE A 2 0.209 -6.173 4.396 1.00 0.00 H new ATOM 0 HD2 PHE A 2 4.230 -6.912 5.577 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -0.019 -4.540 6.208 1.00 0.00 H new ATOM 0 HE2 PHE A 2 3.997 -5.278 7.391 1.00 0.00 H new ATOM 0 HZ PHE A 2 1.869 -4.087 7.712 1.00 0.00 H new ATOM 33 N GLU A 3 -0.938 -7.759 2.841 1.00 0.00 N ATOM 34 CA GLU A 3 -1.945 -7.211 1.908 1.00 0.00 C ATOM 35 C GLU A 3 -2.020 -5.714 2.204 1.00 0.00 C ATOM 36 O GLU A 3 -1.248 -5.197 2.986 1.00 0.00 O ATOM 37 CB GLU A 3 -3.251 -7.977 2.183 1.00 0.00 C ATOM 38 CG GLU A 3 -2.944 -9.501 2.072 1.00 0.00 C ATOM 39 CD GLU A 3 -4.220 -10.305 2.324 1.00 0.00 C ATOM 40 OE1 GLU A 3 -4.815 -10.056 3.353 1.00 0.00 O ATOM 41 OE2 GLU A 3 -4.502 -11.110 1.454 1.00 0.00 O ATOM 0 H GLU A 3 -1.270 -7.891 3.796 1.00 0.00 H new ATOM 0 HA GLU A 3 -1.716 -7.328 0.849 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -3.633 -7.736 3.175 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -4.020 -7.689 1.466 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -2.548 -9.731 1.083 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -2.178 -9.781 2.795 1.00 0.00 H new ATOM 48 N PHE A 4 -2.949 -5.056 1.583 1.00 0.00 N ATOM 49 CA PHE A 4 -3.102 -3.574 1.788 1.00 0.00 C ATOM 50 C PHE A 4 -4.237 -3.232 2.742 1.00 0.00 C ATOM 51 O PHE A 4 -4.115 -2.377 3.596 1.00 0.00 O ATOM 52 CB PHE A 4 -3.317 -2.953 0.390 1.00 0.00 C ATOM 53 CG PHE A 4 -3.442 -1.420 0.419 1.00 0.00 C ATOM 54 CD1 PHE A 4 -2.653 -0.632 1.238 1.00 0.00 C ATOM 55 CD2 PHE A 4 -4.357 -0.802 -0.410 1.00 0.00 C ATOM 56 CE1 PHE A 4 -2.780 0.743 1.226 1.00 0.00 C ATOM 57 CE2 PHE A 4 -4.486 0.572 -0.424 1.00 0.00 C ATOM 58 CZ PHE A 4 -3.696 1.346 0.395 1.00 0.00 C ATOM 0 H PHE A 4 -3.619 -5.472 0.936 1.00 0.00 H new ATOM 0 HA PHE A 4 -2.209 -3.165 2.260 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -2.484 -3.231 -0.256 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.218 -3.376 -0.053 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.931 -1.097 1.893 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.980 -1.402 -1.056 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.159 1.347 1.871 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -5.207 1.040 -1.078 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.795 2.421 0.386 1.00 0.00 H new ATOM 68 N LYS A 5 -5.349 -3.885 2.601 1.00 0.00 N ATOM 69 CA LYS A 5 -6.493 -3.610 3.494 1.00 0.00 C ATOM 70 C LYS A 5 -6.805 -5.042 3.947 1.00 0.00 C ATOM 71 O LYS A 5 -6.411 -5.974 3.278 1.00 0.00 O ATOM 72 CB LYS A 5 -7.670 -3.051 2.707 1.00 0.00 C ATOM 73 CG LYS A 5 -7.237 -2.042 1.572 1.00 0.00 C ATOM 74 CD LYS A 5 -6.637 -0.675 2.041 1.00 0.00 C ATOM 75 CE LYS A 5 -7.611 0.252 2.853 1.00 0.00 C ATOM 76 NZ LYS A 5 -7.947 -0.317 4.211 1.00 0.00 N ATOM 0 H LYS A 5 -5.514 -4.605 1.897 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.299 -2.888 4.287 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -8.224 -3.876 2.259 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.350 -2.546 3.393 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.501 -2.537 0.938 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.107 -1.836 0.949 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.759 -0.876 2.655 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.293 -0.129 1.162 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.155 1.234 2.976 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.530 0.396 2.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.914 -0.700 4.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.277 -1.077 4.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -7.882 0.434 4.928 1.00 0.00 H new ATOM 90 N LEU A 6 -7.497 -5.171 5.035 1.00 0.00 N ATOM 91 CA LEU A 6 -7.864 -6.512 5.580 1.00 0.00 C ATOM 92 C LEU A 6 -9.351 -6.708 5.214 1.00 0.00 C ATOM 93 O LEU A 6 -9.897 -5.937 4.439 1.00 0.00 O ATOM 94 CB LEU A 6 -7.661 -6.452 7.099 1.00 0.00 C ATOM 95 CG LEU A 6 -6.188 -6.160 7.481 1.00 0.00 C ATOM 96 CD1 LEU A 6 -6.128 -5.627 8.938 1.00 0.00 C ATOM 97 CD2 LEU A 6 -5.348 -7.458 7.341 1.00 0.00 C ATOM 0 H LEU A 6 -7.836 -4.385 5.589 1.00 0.00 H new ATOM 0 HA LEU A 6 -7.269 -7.336 5.185 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.304 -5.679 7.520 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.969 -7.399 7.543 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.776 -5.404 6.813 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.092 -5.421 9.208 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.712 -4.710 9.014 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.538 -6.375 9.616 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.312 -7.252 7.610 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.749 -8.224 8.004 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -5.392 -7.811 6.311 1.00 0.00 H new ATOM 109 N PRO A 7 -9.984 -7.716 5.760 1.00 0.00 N ATOM 110 CA PRO A 7 -11.430 -7.658 6.081 1.00 0.00 C ATOM 111 C PRO A 7 -11.656 -6.437 6.981 1.00 0.00 C ATOM 112 O PRO A 7 -11.668 -6.544 8.192 1.00 0.00 O ATOM 113 CB PRO A 7 -11.730 -8.999 6.754 1.00 0.00 C ATOM 114 CG PRO A 7 -10.643 -9.943 6.149 1.00 0.00 C ATOM 115 CD PRO A 7 -9.387 -9.034 6.115 1.00 0.00 C ATOM 0 HA PRO A 7 -12.096 -7.532 5.227 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -11.650 -8.933 7.839 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -12.738 -9.347 6.529 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -10.486 -10.828 6.765 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -10.918 -10.292 5.154 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -8.874 -9.007 7.077 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.659 -9.367 5.375 1.00 0.00 H new ATOM 123 N ASP A 8 -11.817 -5.333 6.330 1.00 0.00 N ATOM 124 CA ASP A 8 -12.045 -4.026 6.951 1.00 0.00 C ATOM 125 C ASP A 8 -13.347 -3.519 6.371 1.00 0.00 C ATOM 126 O ASP A 8 -14.372 -3.796 6.959 1.00 0.00 O ATOM 127 CB ASP A 8 -10.801 -3.254 6.571 1.00 0.00 C ATOM 128 CG ASP A 8 -10.868 -1.730 6.561 1.00 0.00 C ATOM 129 OD1 ASP A 8 -11.774 -1.198 7.168 1.00 0.00 O ATOM 130 OD2 ASP A 8 -9.960 -1.207 5.904 1.00 0.00 O ATOM 0 H ASP A 8 -11.796 -5.291 5.311 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.165 -3.978 8.033 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -10.006 -3.547 7.257 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -10.499 -3.580 5.576 1.00 0.00 H new ATOM 135 N ILE A 9 -13.284 -2.826 5.259 1.00 0.00 N ATOM 136 CA ILE A 9 -14.496 -2.252 4.575 1.00 0.00 C ATOM 137 C ILE A 9 -15.428 -1.775 5.724 1.00 0.00 C ATOM 138 O ILE A 9 -16.626 -1.973 5.707 1.00 0.00 O ATOM 139 CB ILE A 9 -15.212 -3.400 3.617 1.00 0.00 C ATOM 140 CG1 ILE A 9 -15.970 -4.527 4.416 1.00 0.00 C ATOM 141 CG2 ILE A 9 -14.207 -4.062 2.597 1.00 0.00 C ATOM 142 CD1 ILE A 9 -16.146 -5.868 3.638 1.00 0.00 C ATOM 0 H ILE A 9 -12.408 -2.625 4.776 1.00 0.00 H new ATOM 0 HA ILE A 9 -14.252 -1.424 3.910 1.00 0.00 H new ATOM 0 HB ILE A 9 -15.960 -2.837 3.059 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -15.427 -4.727 5.340 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -16.954 -4.154 4.699 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -14.733 -4.805 1.998 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -13.794 -3.294 1.943 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -13.398 -4.545 3.145 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -16.678 -6.585 4.264 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -16.717 -5.688 2.727 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.166 -6.269 3.379 1.00 0.00 H new ATOM 154 N GLY A 10 -14.822 -1.137 6.694 1.00 0.00 N ATOM 155 CA GLY A 10 -15.586 -0.630 7.872 1.00 0.00 C ATOM 156 C GLY A 10 -16.217 0.737 7.674 1.00 0.00 C ATOM 157 O GLY A 10 -16.158 1.330 6.613 1.00 0.00 O ATOM 0 H GLY A 10 -13.821 -0.945 6.719 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -16.371 -1.346 8.115 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -14.917 -0.586 8.731 1.00 0.00 H new ATOM 161 N GLU A 11 -16.813 1.205 8.734 1.00 0.00 N ATOM 162 CA GLU A 11 -17.492 2.513 8.750 1.00 0.00 C ATOM 163 C GLU A 11 -16.414 3.575 8.940 1.00 0.00 C ATOM 164 O GLU A 11 -15.441 3.355 9.633 1.00 0.00 O ATOM 165 CB GLU A 11 -18.423 2.497 9.924 1.00 0.00 C ATOM 166 CG GLU A 11 -19.503 1.406 9.838 1.00 0.00 C ATOM 167 CD GLU A 11 -19.940 1.166 11.280 1.00 0.00 C ATOM 168 OE1 GLU A 11 -20.620 2.038 11.791 1.00 0.00 O ATOM 169 OE2 GLU A 11 -19.539 0.126 11.763 1.00 0.00 O ATOM 0 H GLU A 11 -16.854 0.706 9.623 1.00 0.00 H new ATOM 0 HA GLU A 11 -18.049 2.719 7.836 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -17.843 2.351 10.835 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -18.907 3.470 10.007 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -20.341 1.729 9.220 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -19.108 0.495 9.389 1.00 0.00 H new ATOM 176 N GLY A 12 -16.607 4.693 8.318 1.00 0.00 N ATOM 177 CA GLY A 12 -15.635 5.801 8.447 1.00 0.00 C ATOM 178 C GLY A 12 -14.974 6.083 7.134 1.00 0.00 C ATOM 179 O GLY A 12 -15.329 7.032 6.468 1.00 0.00 O ATOM 0 H GLY A 12 -17.407 4.890 7.717 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -16.143 6.697 8.803 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -14.881 5.545 9.191 1.00 0.00 H new ATOM 183 N ILE A 13 -14.039 5.251 6.806 1.00 0.00 N ATOM 184 CA ILE A 13 -13.292 5.406 5.544 1.00 0.00 C ATOM 185 C ILE A 13 -13.197 3.957 5.025 1.00 0.00 C ATOM 186 O ILE A 13 -12.392 3.235 5.582 1.00 0.00 O ATOM 187 CB ILE A 13 -11.937 6.028 5.919 1.00 0.00 C ATOM 188 CG1 ILE A 13 -12.116 7.232 6.923 1.00 0.00 C ATOM 189 CG2 ILE A 13 -11.174 6.502 4.662 1.00 0.00 C ATOM 190 CD1 ILE A 13 -10.768 7.829 7.401 1.00 0.00 C ATOM 0 H ILE A 13 -13.756 4.452 7.374 1.00 0.00 H new ATOM 0 HA ILE A 13 -13.729 6.048 4.779 1.00 0.00 H new ATOM 0 HB ILE A 13 -11.352 5.251 6.411 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -12.703 8.014 6.442 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -12.685 6.894 7.789 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -10.220 6.937 4.958 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -10.996 5.653 4.002 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -11.767 7.251 4.137 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -10.958 8.653 8.089 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -10.189 7.058 7.909 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -10.208 8.196 6.541 1.00 0.00 H new ATOM 202 N HIS A 14 -13.944 3.518 4.050 1.00 0.00 N ATOM 203 CA HIS A 14 -13.769 2.096 3.628 1.00 0.00 C ATOM 204 C HIS A 14 -13.042 2.079 2.289 1.00 0.00 C ATOM 205 O HIS A 14 -13.099 1.104 1.557 1.00 0.00 O ATOM 206 CB HIS A 14 -15.163 1.333 3.500 1.00 0.00 C ATOM 207 CG HIS A 14 -16.409 2.196 3.266 1.00 0.00 C ATOM 208 ND1 HIS A 14 -16.548 3.231 2.507 1.00 0.00 N ATOM 209 CD2 HIS A 14 -17.663 2.013 3.837 1.00 0.00 C ATOM 210 CE1 HIS A 14 -17.770 3.659 2.588 1.00 0.00 C ATOM 211 NE2 HIS A 14 -18.500 2.934 3.405 1.00 0.00 N ATOM 0 H HIS A 14 -14.644 4.058 3.541 1.00 0.00 H new ATOM 0 HA HIS A 14 -13.189 1.575 4.390 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -15.085 0.620 2.679 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -15.318 0.754 4.411 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -15.813 3.646 1.934 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -17.915 1.228 4.535 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -18.145 4.514 2.045 1.00 0.00 H new ATOM 219 N GLU A 15 -12.362 3.151 1.979 1.00 0.00 N ATOM 220 CA GLU A 15 -11.608 3.221 0.696 1.00 0.00 C ATOM 221 C GLU A 15 -10.105 3.483 0.866 1.00 0.00 C ATOM 222 O GLU A 15 -9.537 3.489 1.944 1.00 0.00 O ATOM 223 CB GLU A 15 -12.266 4.320 -0.222 1.00 0.00 C ATOM 224 CG GLU A 15 -12.661 5.617 0.519 1.00 0.00 C ATOM 225 CD GLU A 15 -13.834 5.343 1.427 1.00 0.00 C ATOM 226 OE1 GLU A 15 -14.830 4.851 0.935 1.00 0.00 O ATOM 227 OE2 GLU A 15 -13.658 5.637 2.583 1.00 0.00 O ATOM 0 H GLU A 15 -12.297 3.985 2.563 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.674 2.238 0.230 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.571 4.571 -1.023 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.155 3.899 -0.692 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.817 5.987 1.100 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -12.918 6.395 -0.200 1.00 0.00 H new ATOM 234 N GLY A 16 -9.501 3.656 -0.267 1.00 0.00 N ATOM 235 CA GLY A 16 -8.039 3.930 -0.389 1.00 0.00 C ATOM 236 C GLY A 16 -7.792 4.914 -1.537 1.00 0.00 C ATOM 237 O GLY A 16 -7.803 4.526 -2.686 1.00 0.00 O ATOM 0 H GLY A 16 -9.984 3.617 -1.165 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.657 4.343 0.545 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.499 3.001 -0.571 1.00 0.00 H new ATOM 241 N GLU A 17 -7.569 6.152 -1.228 1.00 0.00 N ATOM 242 CA GLU A 17 -7.324 7.198 -2.260 1.00 0.00 C ATOM 243 C GLU A 17 -5.806 7.215 -2.381 1.00 0.00 C ATOM 244 O GLU A 17 -5.105 7.940 -1.703 1.00 0.00 O ATOM 245 CB GLU A 17 -7.898 8.505 -1.713 1.00 0.00 C ATOM 246 CG GLU A 17 -7.930 9.670 -2.730 1.00 0.00 C ATOM 247 CD GLU A 17 -8.709 10.838 -2.117 1.00 0.00 C ATOM 248 OE1 GLU A 17 -8.665 10.980 -0.912 1.00 0.00 O ATOM 249 OE2 GLU A 17 -9.307 11.556 -2.888 1.00 0.00 O ATOM 0 H GLU A 17 -7.545 6.499 -0.269 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.783 7.033 -3.235 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.912 8.321 -1.359 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.309 8.811 -0.848 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.916 9.982 -2.979 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.401 9.348 -3.659 1.00 0.00 H new ATOM 256 N ILE A 18 -5.308 6.399 -3.249 1.00 0.00 N ATOM 257 CA ILE A 18 -3.865 6.302 -3.473 1.00 0.00 C ATOM 258 C ILE A 18 -3.650 7.445 -4.456 1.00 0.00 C ATOM 259 O ILE A 18 -3.954 7.349 -5.628 1.00 0.00 O ATOM 260 CB ILE A 18 -3.640 4.926 -4.044 1.00 0.00 C ATOM 261 CG1 ILE A 18 -4.257 3.859 -3.078 1.00 0.00 C ATOM 262 CG2 ILE A 18 -2.166 4.752 -4.074 1.00 0.00 C ATOM 263 CD1 ILE A 18 -5.075 2.907 -3.902 1.00 0.00 C ATOM 0 H ILE A 18 -5.867 5.775 -3.831 1.00 0.00 H new ATOM 0 HA ILE A 18 -3.188 6.396 -2.624 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.094 4.810 -5.028 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.469 3.324 -2.547 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.879 4.342 -2.324 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.924 3.770 -4.479 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.721 5.524 -4.703 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.769 4.835 -3.062 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.517 2.151 -3.253 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.867 3.455 -4.413 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.436 2.422 -4.640 1.00 0.00 H new ATOM 275 N VAL A 19 -3.114 8.498 -3.927 1.00 0.00 N ATOM 276 CA VAL A 19 -2.856 9.692 -4.739 1.00 0.00 C ATOM 277 C VAL A 19 -1.523 9.490 -5.427 1.00 0.00 C ATOM 278 O VAL A 19 -1.387 9.735 -6.607 1.00 0.00 O ATOM 279 CB VAL A 19 -2.814 10.910 -3.788 1.00 0.00 C ATOM 280 CG1 VAL A 19 -3.027 12.238 -4.537 1.00 0.00 C ATOM 281 CG2 VAL A 19 -3.779 10.763 -2.590 1.00 0.00 C ATOM 0 H VAL A 19 -2.841 8.577 -2.947 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.627 9.860 -5.491 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.807 10.936 -3.372 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.989 13.065 -3.828 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.243 12.364 -5.284 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.999 12.226 -5.030 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.708 11.646 -1.955 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.800 10.660 -2.956 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.510 9.879 -2.012 1.00 0.00 H new ATOM 291 N LYS A 20 -0.573 9.051 -4.662 1.00 0.00 N ATOM 292 CA LYS A 20 0.779 8.828 -5.236 1.00 0.00 C ATOM 293 C LYS A 20 1.424 7.595 -4.646 1.00 0.00 C ATOM 294 O LYS A 20 1.057 7.138 -3.579 1.00 0.00 O ATOM 295 CB LYS A 20 1.566 10.117 -4.936 1.00 0.00 C ATOM 296 CG LYS A 20 3.127 9.996 -4.941 1.00 0.00 C ATOM 297 CD LYS A 20 3.570 11.021 -3.909 1.00 0.00 C ATOM 298 CE LYS A 20 5.048 11.083 -3.602 1.00 0.00 C ATOM 299 NZ LYS A 20 5.199 12.177 -2.606 1.00 0.00 N ATOM 0 H LYS A 20 -0.670 8.837 -3.669 1.00 0.00 H new ATOM 0 HA LYS A 20 0.748 8.639 -6.309 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.279 10.871 -5.669 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.255 10.488 -3.959 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.452 8.991 -4.672 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.543 10.213 -5.925 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.252 12.006 -4.250 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.038 10.819 -2.979 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.406 10.135 -3.201 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.628 11.288 -4.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.113 12.652 -2.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.429 12.865 -2.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.161 11.780 -1.646 1.00 0.00 H new ATOM 313 N TRP A 21 2.381 7.133 -5.389 1.00 0.00 N ATOM 314 CA TRP A 21 3.181 5.942 -5.031 1.00 0.00 C ATOM 315 C TRP A 21 4.606 6.449 -5.004 1.00 0.00 C ATOM 316 O TRP A 21 4.898 7.499 -5.543 1.00 0.00 O ATOM 317 CB TRP A 21 3.081 4.865 -6.090 1.00 0.00 C ATOM 318 CG TRP A 21 2.031 3.857 -5.685 1.00 0.00 C ATOM 319 CD1 TRP A 21 0.795 3.796 -6.222 1.00 0.00 C ATOM 320 CD2 TRP A 21 2.191 2.879 -4.771 1.00 0.00 C ATOM 321 NE1 TRP A 21 0.272 2.765 -5.595 1.00 0.00 N ATOM 322 CE2 TRP A 21 1.024 2.148 -4.704 1.00 0.00 C ATOM 323 CE3 TRP A 21 3.263 2.543 -3.958 1.00 0.00 C ATOM 324 CZ2 TRP A 21 0.916 1.083 -3.846 1.00 0.00 C ATOM 325 CZ3 TRP A 21 3.152 1.473 -3.102 1.00 0.00 C ATOM 326 CH2 TRP A 21 1.984 0.747 -3.046 1.00 0.00 C ATOM 0 H TRP A 21 2.653 7.557 -6.276 1.00 0.00 H new ATOM 0 HA TRP A 21 2.841 5.506 -4.092 1.00 0.00 H new ATOM 0 HB2 TRP A 21 2.823 5.308 -7.052 1.00 0.00 H new ATOM 0 HB3 TRP A 21 4.045 4.372 -6.215 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.349 4.431 -6.974 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -0.680 2.454 -5.790 1.00 0.00 H new ATOM 0 HE3 TRP A 21 4.177 3.117 -3.997 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 0.000 0.513 -3.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 3.985 1.201 -2.471 1.00 0.00 H new ATOM 0 HH2 TRP A 21 1.905 -0.092 -2.370 1.00 0.00 H new ATOM 337 N PHE A 22 5.436 5.682 -4.377 1.00 0.00 N ATOM 338 CA PHE A 22 6.883 6.031 -4.257 1.00 0.00 C ATOM 339 C PHE A 22 7.704 4.926 -4.886 1.00 0.00 C ATOM 340 O PHE A 22 8.845 5.124 -5.248 1.00 0.00 O ATOM 341 CB PHE A 22 7.304 6.131 -2.796 1.00 0.00 C ATOM 342 CG PHE A 22 6.592 7.274 -2.060 1.00 0.00 C ATOM 343 CD1 PHE A 22 5.214 7.346 -1.992 1.00 0.00 C ATOM 344 CD2 PHE A 22 7.337 8.255 -1.440 1.00 0.00 C ATOM 345 CE1 PHE A 22 4.599 8.373 -1.323 1.00 0.00 C ATOM 346 CE2 PHE A 22 6.721 9.285 -0.765 1.00 0.00 C ATOM 347 CZ PHE A 22 5.346 9.339 -0.710 1.00 0.00 C ATOM 0 H PHE A 22 5.174 4.804 -3.928 1.00 0.00 H new ATOM 0 HA PHE A 22 7.043 6.989 -4.751 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.088 5.188 -2.293 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.382 6.282 -2.741 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.615 6.586 -2.471 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.415 8.215 -1.484 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.521 8.418 -1.281 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.314 10.047 -0.281 1.00 0.00 H new ATOM 0 HZ PHE A 22 4.858 10.145 -0.182 1.00 0.00 H new ATOM 357 N VAL A 23 7.097 3.782 -4.997 1.00 0.00 N ATOM 358 CA VAL A 23 7.826 2.644 -5.585 1.00 0.00 C ATOM 359 C VAL A 23 7.464 2.424 -7.040 1.00 0.00 C ATOM 360 O VAL A 23 6.647 3.093 -7.641 1.00 0.00 O ATOM 361 CB VAL A 23 7.519 1.390 -4.715 1.00 0.00 C ATOM 362 CG1 VAL A 23 7.769 1.868 -3.278 1.00 0.00 C ATOM 363 CG2 VAL A 23 6.082 0.836 -4.892 1.00 0.00 C ATOM 0 H VAL A 23 6.138 3.592 -4.708 1.00 0.00 H new ATOM 0 HA VAL A 23 8.896 2.849 -5.582 1.00 0.00 H new ATOM 0 HB VAL A 23 8.147 0.548 -5.007 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.578 1.050 -2.584 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.804 2.195 -3.178 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.103 2.700 -3.050 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.947 -0.037 -4.253 1.00 0.00 H new ATOM 0 HG22 VAL A 23 5.359 1.604 -4.615 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.928 0.551 -5.933 1.00 0.00 H new ATOM 373 N LYS A 24 8.140 1.430 -7.502 1.00 0.00 N ATOM 374 CA LYS A 24 8.062 0.925 -8.873 1.00 0.00 C ATOM 375 C LYS A 24 7.873 -0.555 -8.537 1.00 0.00 C ATOM 376 O LYS A 24 8.513 -1.011 -7.605 1.00 0.00 O ATOM 377 CB LYS A 24 9.420 1.243 -9.628 1.00 0.00 C ATOM 378 CG LYS A 24 10.770 0.740 -8.939 1.00 0.00 C ATOM 379 CD LYS A 24 11.108 1.444 -7.567 1.00 0.00 C ATOM 380 CE LYS A 24 12.336 0.774 -6.878 1.00 0.00 C ATOM 381 NZ LYS A 24 13.524 0.766 -7.769 1.00 0.00 N ATOM 0 H LYS A 24 8.799 0.907 -6.926 1.00 0.00 H new ATOM 0 HA LYS A 24 7.299 1.335 -9.534 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.364 0.804 -10.624 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.489 2.323 -9.759 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.699 -0.335 -8.773 1.00 0.00 H new ATOM 0 HG3 LYS A 24 11.598 0.902 -9.630 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.315 2.500 -7.738 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.243 1.392 -6.906 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.574 1.308 -5.958 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.084 -0.249 -6.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.865 -0.210 -7.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.263 1.153 -8.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 14.276 1.349 -7.350 1.00 0.00 H new ATOM 395 N PRO A 25 7.034 -1.256 -9.252 1.00 0.00 N ATOM 396 CA PRO A 25 6.727 -2.662 -8.920 1.00 0.00 C ATOM 397 C PRO A 25 7.942 -3.578 -8.814 1.00 0.00 C ATOM 398 O PRO A 25 9.022 -3.293 -9.289 1.00 0.00 O ATOM 399 CB PRO A 25 5.737 -3.108 -10.020 1.00 0.00 C ATOM 400 CG PRO A 25 6.036 -2.119 -11.196 1.00 0.00 C ATOM 401 CD PRO A 25 6.290 -0.791 -10.457 1.00 0.00 C ATOM 0 HA PRO A 25 6.306 -2.735 -7.917 1.00 0.00 H new ATOM 0 HB2 PRO A 25 5.903 -4.144 -10.314 1.00 0.00 H new ATOM 0 HB3 PRO A 25 4.703 -3.033 -9.685 1.00 0.00 H new ATOM 0 HG2 PRO A 25 6.902 -2.431 -11.779 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.197 -2.045 -11.887 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.876 -0.094 -11.056 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.361 -0.284 -10.195 1.00 0.00 H new ATOM 409 N GLY A 26 7.643 -4.666 -8.180 1.00 0.00 N ATOM 410 CA GLY A 26 8.580 -5.776 -7.911 1.00 0.00 C ATOM 411 C GLY A 26 9.988 -5.423 -7.537 1.00 0.00 C ATOM 412 O GLY A 26 10.856 -6.248 -7.782 1.00 0.00 O ATOM 0 H GLY A 26 6.709 -4.839 -7.809 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.161 -6.381 -7.107 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.617 -6.407 -8.799 1.00 0.00 H new ATOM 416 N ASP A 27 10.251 -4.282 -6.962 1.00 0.00 N ATOM 417 CA ASP A 27 11.683 -4.095 -6.652 1.00 0.00 C ATOM 418 C ASP A 27 11.930 -4.716 -5.286 1.00 0.00 C ATOM 419 O ASP A 27 11.067 -5.423 -4.793 1.00 0.00 O ATOM 420 CB ASP A 27 12.131 -2.647 -6.539 1.00 0.00 C ATOM 421 CG ASP A 27 13.667 -2.622 -6.799 1.00 0.00 C ATOM 422 OD1 ASP A 27 14.260 -3.670 -7.003 1.00 0.00 O ATOM 423 OD2 ASP A 27 14.187 -1.522 -6.783 1.00 0.00 O ATOM 0 H ASP A 27 9.601 -3.536 -6.714 1.00 0.00 H new ATOM 0 HA ASP A 27 12.236 -4.546 -7.476 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.607 -2.024 -7.264 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.901 -2.248 -5.551 1.00 0.00 H new ATOM 428 N GLU A 28 13.062 -4.475 -4.704 1.00 0.00 N ATOM 429 CA GLU A 28 13.403 -5.032 -3.385 1.00 0.00 C ATOM 430 C GLU A 28 13.180 -3.798 -2.497 1.00 0.00 C ATOM 431 O GLU A 28 13.732 -2.755 -2.796 1.00 0.00 O ATOM 432 CB GLU A 28 14.892 -5.441 -3.377 1.00 0.00 C ATOM 433 CG GLU A 28 15.482 -6.108 -4.696 1.00 0.00 C ATOM 434 CD GLU A 28 15.339 -7.631 -4.737 1.00 0.00 C ATOM 435 OE1 GLU A 28 15.401 -8.232 -3.691 1.00 0.00 O ATOM 436 OE2 GLU A 28 15.169 -8.118 -5.836 1.00 0.00 O ATOM 0 H GLU A 28 13.792 -3.890 -5.110 1.00 0.00 H new ATOM 0 HA GLU A 28 12.838 -5.914 -3.084 1.00 0.00 H new ATOM 0 HB2 GLU A 28 15.483 -4.552 -3.157 1.00 0.00 H new ATOM 0 HB3 GLU A 28 15.044 -6.137 -2.552 1.00 0.00 H new ATOM 0 HG2 GLU A 28 14.978 -5.682 -5.564 1.00 0.00 H new ATOM 0 HG3 GLU A 28 16.537 -5.849 -4.781 1.00 0.00 H new ATOM 443 N VAL A 29 12.411 -3.903 -1.456 1.00 0.00 N ATOM 444 CA VAL A 29 12.201 -2.709 -0.600 1.00 0.00 C ATOM 445 C VAL A 29 12.939 -3.019 0.677 1.00 0.00 C ATOM 446 O VAL A 29 13.212 -4.162 0.988 1.00 0.00 O ATOM 447 CB VAL A 29 10.665 -2.486 -0.379 1.00 0.00 C ATOM 448 CG1 VAL A 29 9.890 -3.749 0.101 1.00 0.00 C ATOM 449 CG2 VAL A 29 10.418 -1.325 0.600 1.00 0.00 C ATOM 0 H VAL A 29 11.925 -4.750 -1.163 1.00 0.00 H new ATOM 0 HA VAL A 29 12.573 -1.783 -1.039 1.00 0.00 H new ATOM 0 HB VAL A 29 10.270 -2.242 -1.365 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.836 -3.503 0.228 1.00 0.00 H new ATOM 0 HG12 VAL A 29 9.991 -4.541 -0.641 1.00 0.00 H new ATOM 0 HG13 VAL A 29 10.300 -4.088 1.052 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.346 -1.188 0.739 1.00 0.00 H new ATOM 0 HG22 VAL A 29 10.882 -1.553 1.560 1.00 0.00 H new ATOM 0 HG23 VAL A 29 10.851 -0.410 0.196 1.00 0.00 H new ATOM 459 N ASN A 30 13.207 -1.971 1.384 1.00 0.00 N ATOM 460 CA ASN A 30 13.946 -2.086 2.671 1.00 0.00 C ATOM 461 C ASN A 30 12.958 -2.111 3.807 1.00 0.00 C ATOM 462 O ASN A 30 11.781 -2.287 3.593 1.00 0.00 O ATOM 463 CB ASN A 30 14.895 -0.900 2.790 1.00 0.00 C ATOM 464 CG ASN A 30 16.288 -1.413 3.236 1.00 0.00 C ATOM 465 OD1 ASN A 30 16.754 -2.399 2.706 1.00 0.00 O ATOM 466 ND2 ASN A 30 17.011 -0.855 4.159 1.00 0.00 N ATOM 0 H ASN A 30 12.944 -1.020 1.126 1.00 0.00 H new ATOM 0 HA ASN A 30 14.528 -3.007 2.706 1.00 0.00 H new ATOM 0 HB2 ASN A 30 14.973 -0.382 1.834 1.00 0.00 H new ATOM 0 HB3 ASN A 30 14.510 -0.180 3.512 1.00 0.00 H new ATOM 0 HD21 ASN A 30 17.920 -1.249 4.403 1.00 0.00 H new ATOM 0 HD22 ASN A 30 16.670 -0.022 4.640 1.00 0.00 H new ATOM 473 N GLU A 31 13.451 -1.889 4.977 1.00 0.00 N ATOM 474 CA GLU A 31 12.611 -1.904 6.203 1.00 0.00 C ATOM 475 C GLU A 31 12.817 -0.448 6.631 1.00 0.00 C ATOM 476 O GLU A 31 13.235 -0.150 7.730 1.00 0.00 O ATOM 477 CB GLU A 31 13.279 -2.987 7.072 1.00 0.00 C ATOM 478 CG GLU A 31 12.441 -3.584 8.273 1.00 0.00 C ATOM 479 CD GLU A 31 12.880 -5.049 8.694 1.00 0.00 C ATOM 480 OE1 GLU A 31 13.090 -6.256 8.755 1.00 0.00 O ATOM 481 OE2 GLU A 31 12.279 -5.352 7.678 1.00 0.00 O ATOM 0 H GLU A 31 14.437 -1.690 5.148 1.00 0.00 H new ATOM 0 HA GLU A 31 11.548 -2.146 6.186 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.565 -3.812 6.419 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.200 -2.570 7.480 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.538 -2.924 9.135 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.386 -3.596 7.998 1.00 0.00 H new ATOM 488 N ASP A 32 12.479 0.396 5.685 1.00 0.00 N ATOM 489 CA ASP A 32 12.586 1.881 5.829 1.00 0.00 C ATOM 490 C ASP A 32 12.100 2.724 4.632 1.00 0.00 C ATOM 491 O ASP A 32 12.171 3.936 4.698 1.00 0.00 O ATOM 492 CB ASP A 32 14.058 2.269 6.104 1.00 0.00 C ATOM 493 CG ASP A 32 14.928 1.545 5.115 1.00 0.00 C ATOM 494 OD1 ASP A 32 14.990 1.896 3.954 1.00 0.00 O ATOM 495 OD2 ASP A 32 15.509 0.596 5.596 1.00 0.00 O ATOM 0 H ASP A 32 12.117 0.099 4.779 1.00 0.00 H new ATOM 0 HA ASP A 32 11.914 2.114 6.655 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.191 3.347 6.009 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.337 2.002 7.123 1.00 0.00 H new ATOM 500 N ASP A 33 11.605 2.110 3.589 1.00 0.00 N ATOM 501 CA ASP A 33 11.129 2.893 2.391 1.00 0.00 C ATOM 502 C ASP A 33 9.652 3.256 2.515 1.00 0.00 C ATOM 503 O ASP A 33 9.062 3.035 3.565 1.00 0.00 O ATOM 504 CB ASP A 33 11.356 2.030 1.137 1.00 0.00 C ATOM 505 CG ASP A 33 11.154 2.783 -0.181 1.00 0.00 C ATOM 506 OD1 ASP A 33 11.283 3.997 -0.185 1.00 0.00 O ATOM 507 OD2 ASP A 33 10.883 2.081 -1.134 1.00 0.00 O ATOM 0 H ASP A 33 11.506 1.098 3.508 1.00 0.00 H new ATOM 0 HA ASP A 33 11.688 3.826 2.324 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.369 1.629 1.163 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.675 1.179 1.166 1.00 0.00 H new ATOM 512 N VAL A 34 9.089 3.795 1.471 1.00 0.00 N ATOM 513 CA VAL A 34 7.698 4.199 1.405 1.00 0.00 C ATOM 514 C VAL A 34 7.120 3.246 0.417 1.00 0.00 C ATOM 515 O VAL A 34 7.728 2.419 -0.222 1.00 0.00 O ATOM 516 CB VAL A 34 7.536 5.574 0.799 1.00 0.00 C ATOM 517 CG1 VAL A 34 6.389 6.311 1.427 1.00 0.00 C ATOM 518 CG2 VAL A 34 8.788 6.386 1.016 1.00 0.00 C ATOM 0 H VAL A 34 9.599 3.975 0.606 1.00 0.00 H new ATOM 0 HA VAL A 34 7.246 4.207 2.397 1.00 0.00 H new ATOM 0 HB VAL A 34 7.344 5.442 -0.266 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.297 7.297 0.971 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.467 5.751 1.270 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.569 6.421 2.496 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.661 7.375 0.576 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.976 6.486 2.085 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.633 5.885 0.544 1.00 0.00 H new ATOM 528 N LEU A 35 5.869 3.477 0.349 1.00 0.00 N ATOM 529 CA LEU A 35 5.043 2.694 -0.561 1.00 0.00 C ATOM 530 C LEU A 35 4.103 3.791 -1.102 1.00 0.00 C ATOM 531 O LEU A 35 4.432 4.311 -2.154 1.00 0.00 O ATOM 532 CB LEU A 35 4.363 1.536 0.263 1.00 0.00 C ATOM 533 CG LEU A 35 5.397 0.753 1.183 1.00 0.00 C ATOM 534 CD1 LEU A 35 5.045 0.996 2.679 1.00 0.00 C ATOM 535 CD2 LEU A 35 5.215 -0.750 0.914 1.00 0.00 C ATOM 0 H LEU A 35 5.373 4.184 0.892 1.00 0.00 H new ATOM 0 HA LEU A 35 5.531 2.166 -1.380 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.572 1.954 0.886 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.890 0.835 -0.425 1.00 0.00 H new ATOM 0 HG LEU A 35 6.412 1.089 0.971 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.753 0.460 3.311 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.099 2.063 2.897 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.036 0.636 2.878 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.912 -1.317 1.531 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.194 -1.042 1.158 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.411 -0.958 -0.138 1.00 0.00 H new ATOM 547 N CYS A 36 3.025 4.173 -0.452 1.00 0.00 N ATOM 548 CA CYS A 36 2.140 5.242 -1.048 1.00 0.00 C ATOM 549 C CYS A 36 1.857 6.438 -0.133 1.00 0.00 C ATOM 550 O CYS A 36 2.196 6.422 1.033 1.00 0.00 O ATOM 551 CB CYS A 36 0.774 4.637 -1.435 1.00 0.00 C ATOM 552 SG CYS A 36 0.544 2.850 -1.295 1.00 0.00 S ATOM 0 H CYS A 36 2.720 3.802 0.448 1.00 0.00 H new ATOM 0 HA CYS A 36 2.701 5.612 -1.907 1.00 0.00 H new ATOM 0 HB2 CYS A 36 0.014 5.117 -0.819 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.570 4.916 -2.469 1.00 0.00 H new ATOM 0 HG CYS A 36 1.039 2.265 -2.345 1.00 0.00 H new ATOM 558 N GLU A 37 1.223 7.401 -0.751 1.00 0.00 N ATOM 559 CA GLU A 37 0.792 8.692 -0.137 1.00 0.00 C ATOM 560 C GLU A 37 -0.693 8.429 -0.433 1.00 0.00 C ATOM 561 O GLU A 37 -1.140 8.591 -1.562 1.00 0.00 O ATOM 562 CB GLU A 37 1.348 9.937 -0.947 1.00 0.00 C ATOM 563 CG GLU A 37 2.091 10.953 -0.003 1.00 0.00 C ATOM 564 CD GLU A 37 2.905 11.978 -0.783 1.00 0.00 C ATOM 565 OE1 GLU A 37 2.432 12.530 -1.755 1.00 0.00 O ATOM 566 OE2 GLU A 37 4.037 12.212 -0.409 1.00 0.00 O ATOM 0 H GLU A 37 0.969 7.333 -1.736 1.00 0.00 H new ATOM 0 HA GLU A 37 1.092 8.922 0.885 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.032 9.592 -1.722 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.524 10.442 -1.451 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.360 11.470 0.618 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.750 10.405 0.670 1.00 0.00 H new ATOM 573 N VAL A 38 -1.410 8.013 0.567 1.00 0.00 N ATOM 574 CA VAL A 38 -2.849 7.717 0.395 1.00 0.00 C ATOM 575 C VAL A 38 -3.531 8.854 1.125 1.00 0.00 C ATOM 576 O VAL A 38 -2.998 9.399 2.068 1.00 0.00 O ATOM 577 CB VAL A 38 -3.159 6.343 1.049 1.00 0.00 C ATOM 578 CG1 VAL A 38 -4.594 5.853 0.712 1.00 0.00 C ATOM 579 CG2 VAL A 38 -2.134 5.297 0.562 1.00 0.00 C ATOM 0 H VAL A 38 -1.052 7.864 1.510 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.177 7.649 -0.642 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.091 6.466 2.130 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.771 4.889 1.189 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.321 6.577 1.078 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.699 5.748 -0.368 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.352 4.333 1.021 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.196 5.205 -0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.130 5.614 0.843 1.00 0.00 H new ATOM 589 N GLN A 39 -4.688 9.193 0.676 1.00 0.00 N ATOM 590 CA GLN A 39 -5.446 10.281 1.304 1.00 0.00 C ATOM 591 C GLN A 39 -6.731 9.633 1.731 1.00 0.00 C ATOM 592 O GLN A 39 -7.079 8.536 1.325 1.00 0.00 O ATOM 593 CB GLN A 39 -5.632 11.377 0.240 1.00 0.00 C ATOM 594 CG GLN A 39 -6.581 12.516 0.669 1.00 0.00 C ATOM 595 CD GLN A 39 -6.619 13.527 -0.484 1.00 0.00 C ATOM 596 OE1 GLN A 39 -7.410 13.417 -1.519 1.00 0.00 O flip ATOM 597 NE2 GLN A 39 -5.865 14.477 -0.451 1.00 0.00 N flip ATOM 0 H GLN A 39 -5.151 8.751 -0.118 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.972 10.755 2.163 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.658 11.802 -0.003 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.017 10.921 -0.672 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -7.579 12.129 0.876 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.226 12.989 1.585 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.232 14.598 0.340 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -5.864 15.154 -1.214 1.00 0.00 H new ATOM 606 N ASN A 40 -7.372 10.361 2.573 1.00 0.00 N ATOM 607 CA ASN A 40 -8.664 9.958 3.140 1.00 0.00 C ATOM 608 C ASN A 40 -9.312 11.284 3.460 1.00 0.00 C ATOM 609 O ASN A 40 -8.738 12.319 3.201 1.00 0.00 O ATOM 610 CB ASN A 40 -8.471 9.107 4.410 1.00 0.00 C ATOM 611 CG ASN A 40 -7.644 9.793 5.490 1.00 0.00 C ATOM 612 OD1 ASN A 40 -6.432 9.780 5.465 1.00 0.00 O ATOM 613 ND2 ASN A 40 -8.235 10.406 6.464 1.00 0.00 N ATOM 0 H ASN A 40 -7.036 11.264 2.908 1.00 0.00 H new ATOM 0 HA ASN A 40 -9.259 9.338 2.469 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.449 8.855 4.820 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.989 8.168 4.137 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -7.682 10.864 7.188 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.254 10.431 6.507 1.00 0.00 H new ATOM 620 N ASP A 41 -10.486 11.195 4.010 1.00 0.00 N ATOM 621 CA ASP A 41 -11.315 12.381 4.404 1.00 0.00 C ATOM 622 C ASP A 41 -10.691 13.784 4.269 1.00 0.00 C ATOM 623 O ASP A 41 -11.251 14.626 3.594 1.00 0.00 O ATOM 624 CB ASP A 41 -11.820 12.193 5.887 1.00 0.00 C ATOM 625 CG ASP A 41 -10.925 12.661 7.026 1.00 0.00 C ATOM 626 OD1 ASP A 41 -9.746 12.411 7.023 1.00 0.00 O ATOM 627 OD2 ASP A 41 -11.524 13.277 7.884 1.00 0.00 O ATOM 0 H ASP A 41 -10.934 10.302 4.216 1.00 0.00 H new ATOM 0 HA ASP A 41 -12.115 12.381 3.664 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.774 12.713 5.980 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -12.019 11.132 6.037 1.00 0.00 H new ATOM 632 N LYS A 42 -9.592 13.998 4.915 1.00 0.00 N ATOM 633 CA LYS A 42 -8.859 15.303 4.889 1.00 0.00 C ATOM 634 C LYS A 42 -7.375 14.985 4.983 1.00 0.00 C ATOM 635 O LYS A 42 -6.538 15.668 4.427 1.00 0.00 O ATOM 636 CB LYS A 42 -9.187 16.204 6.108 1.00 0.00 C ATOM 637 CG LYS A 42 -10.685 16.146 6.414 1.00 0.00 C ATOM 638 CD LYS A 42 -10.936 16.743 7.825 1.00 0.00 C ATOM 639 CE LYS A 42 -12.366 16.417 8.358 1.00 0.00 C ATOM 640 NZ LYS A 42 -12.979 15.235 7.675 1.00 0.00 N ATOM 0 H LYS A 42 -9.141 13.289 5.493 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.148 15.829 3.979 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.617 15.876 6.977 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.889 17.232 5.901 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.244 16.705 5.664 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.038 15.116 6.373 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.193 16.352 8.520 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.801 17.824 7.789 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.316 16.227 9.430 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.009 17.286 8.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.857 14.967 8.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -13.194 15.478 6.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.313 14.437 7.698 1.00 0.00 H new ATOM 654 N ALA A 43 -7.082 13.949 5.718 1.00 0.00 N ATOM 655 CA ALA A 43 -5.663 13.563 5.885 1.00 0.00 C ATOM 656 C ALA A 43 -5.080 12.881 4.659 1.00 0.00 C ATOM 657 O ALA A 43 -5.765 12.211 3.913 1.00 0.00 O ATOM 658 CB ALA A 43 -5.571 12.629 7.074 1.00 0.00 C ATOM 0 H ALA A 43 -7.759 13.361 6.204 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.082 14.472 6.037 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.534 12.328 7.221 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.930 13.140 7.967 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.183 11.746 6.891 1.00 0.00 H new ATOM 664 N VAL A 44 -3.809 13.087 4.512 1.00 0.00 N ATOM 665 CA VAL A 44 -3.034 12.517 3.401 1.00 0.00 C ATOM 666 C VAL A 44 -2.033 11.784 4.276 1.00 0.00 C ATOM 667 O VAL A 44 -1.249 12.438 4.941 1.00 0.00 O ATOM 668 CB VAL A 44 -2.393 13.655 2.594 1.00 0.00 C ATOM 669 CG1 VAL A 44 -1.739 13.069 1.313 1.00 0.00 C ATOM 670 CG2 VAL A 44 -3.481 14.705 2.219 1.00 0.00 C ATOM 0 H VAL A 44 -3.255 13.656 5.152 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.546 11.915 2.650 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.625 14.146 3.191 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.283 13.874 0.737 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.974 12.345 1.594 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.501 12.577 0.708 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.025 15.513 1.646 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.256 14.228 1.620 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.924 15.111 3.129 1.00 0.00 H new ATOM 680 N VAL A 45 -2.079 10.492 4.288 1.00 0.00 N ATOM 681 CA VAL A 45 -1.132 9.736 5.122 1.00 0.00 C ATOM 682 C VAL A 45 -0.233 8.943 4.220 1.00 0.00 C ATOM 683 O VAL A 45 -0.470 8.690 3.056 1.00 0.00 O ATOM 684 CB VAL A 45 -1.944 8.813 6.066 1.00 0.00 C ATOM 685 CG1 VAL A 45 -1.087 8.282 7.258 1.00 0.00 C ATOM 686 CG2 VAL A 45 -3.042 9.685 6.616 1.00 0.00 C ATOM 0 H VAL A 45 -2.737 9.926 3.752 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.515 10.398 5.729 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.304 7.940 5.522 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.701 7.640 7.890 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.242 7.711 6.873 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.719 9.124 7.845 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.663 9.102 7.296 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.604 10.525 7.155 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.654 10.060 5.796 1.00 0.00 H new ATOM 696 N GLU A 46 0.803 8.577 4.879 1.00 0.00 N ATOM 697 CA GLU A 46 1.877 7.782 4.268 1.00 0.00 C ATOM 698 C GLU A 46 1.940 6.462 5.036 1.00 0.00 C ATOM 699 O GLU A 46 1.555 6.412 6.194 1.00 0.00 O ATOM 700 CB GLU A 46 3.154 8.610 4.410 1.00 0.00 C ATOM 701 CG GLU A 46 3.433 8.960 5.904 1.00 0.00 C ATOM 702 CD GLU A 46 4.911 9.319 6.015 1.00 0.00 C ATOM 703 OE1 GLU A 46 5.269 10.286 5.373 1.00 0.00 O ATOM 704 OE2 GLU A 46 5.580 8.599 6.730 1.00 0.00 O ATOM 0 H GLU A 46 0.959 8.805 5.861 1.00 0.00 H new ATOM 0 HA GLU A 46 1.725 7.553 3.213 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.998 8.056 3.999 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.062 9.528 3.829 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.809 9.794 6.227 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.193 8.114 6.548 1.00 0.00 H new ATOM 711 N ILE A 47 2.395 5.422 4.398 1.00 0.00 N ATOM 712 CA ILE A 47 2.508 4.130 5.049 1.00 0.00 C ATOM 713 C ILE A 47 4.027 4.014 4.803 1.00 0.00 C ATOM 714 O ILE A 47 4.439 4.155 3.663 1.00 0.00 O ATOM 715 CB ILE A 47 1.738 3.030 4.268 1.00 0.00 C ATOM 716 CG1 ILE A 47 0.190 3.174 4.301 1.00 0.00 C ATOM 717 CG2 ILE A 47 2.065 1.753 4.988 1.00 0.00 C ATOM 718 CD1 ILE A 47 -0.302 4.458 3.623 1.00 0.00 C ATOM 0 H ILE A 47 2.697 5.435 3.424 1.00 0.00 H new ATOM 0 HA ILE A 47 2.131 4.032 6.067 1.00 0.00 H new ATOM 0 HB ILE A 47 2.033 3.082 3.220 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.261 2.313 3.808 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.149 3.163 5.337 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.559 0.920 4.500 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.142 1.588 4.964 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.731 1.823 6.023 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.390 4.504 3.677 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.123 5.324 4.131 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.010 4.461 2.579 1.00 0.00 H new ATOM 730 N PRO A 48 4.822 3.787 5.811 1.00 0.00 N ATOM 731 CA PRO A 48 6.238 3.388 5.635 1.00 0.00 C ATOM 732 C PRO A 48 6.295 1.867 5.595 1.00 0.00 C ATOM 733 O PRO A 48 5.292 1.186 5.661 1.00 0.00 O ATOM 734 CB PRO A 48 6.907 4.019 6.834 1.00 0.00 C ATOM 735 CG PRO A 48 5.887 3.638 7.931 1.00 0.00 C ATOM 736 CD PRO A 48 4.484 3.914 7.257 1.00 0.00 C ATOM 0 HA PRO A 48 6.730 3.711 4.718 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.898 3.608 7.024 1.00 0.00 H new ATOM 0 HB3 PRO A 48 7.024 5.098 6.728 1.00 0.00 H new ATOM 0 HG2 PRO A 48 5.990 2.594 8.227 1.00 0.00 H new ATOM 0 HG3 PRO A 48 6.024 4.239 8.830 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.730 3.191 7.568 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.098 4.903 7.503 1.00 0.00 H new ATOM 744 N SER A 49 7.495 1.406 5.512 1.00 0.00 N ATOM 745 CA SER A 49 7.759 -0.067 5.453 1.00 0.00 C ATOM 746 C SER A 49 7.973 -0.572 6.880 1.00 0.00 C ATOM 747 O SER A 49 8.955 -0.197 7.483 1.00 0.00 O ATOM 748 CB SER A 49 9.023 -0.337 4.635 1.00 0.00 C ATOM 749 OG SER A 49 8.784 0.318 3.397 1.00 0.00 O ATOM 0 H SER A 49 8.331 1.989 5.481 1.00 0.00 H new ATOM 0 HA SER A 49 6.916 -0.576 4.986 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.910 0.059 5.130 1.00 0.00 H new ATOM 0 HB3 SER A 49 9.186 -1.406 4.495 1.00 0.00 H new ATOM 0 HG SER A 49 8.847 1.288 3.522 1.00 0.00 H new ATOM 755 N PRO A 50 7.083 -1.384 7.402 1.00 0.00 N ATOM 756 CA PRO A 50 7.343 -2.106 8.671 1.00 0.00 C ATOM 757 C PRO A 50 8.416 -3.161 8.413 1.00 0.00 C ATOM 758 O PRO A 50 9.200 -3.441 9.290 1.00 0.00 O ATOM 759 CB PRO A 50 5.975 -2.694 9.073 1.00 0.00 C ATOM 760 CG PRO A 50 4.961 -1.860 8.220 1.00 0.00 C ATOM 761 CD PRO A 50 5.717 -1.690 6.890 1.00 0.00 C ATOM 0 HA PRO A 50 7.724 -1.485 9.482 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.912 -3.758 8.846 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.788 -2.584 10.141 1.00 0.00 H new ATOM 0 HG2 PRO A 50 4.014 -2.384 8.086 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.732 -0.900 8.683 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.694 -2.593 6.280 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.311 -0.883 6.280 1.00 0.00 H new ATOM 769 N VAL A 51 8.374 -3.712 7.231 1.00 0.00 N ATOM 770 CA VAL A 51 9.342 -4.747 6.824 1.00 0.00 C ATOM 771 C VAL A 51 9.853 -4.522 5.412 1.00 0.00 C ATOM 772 O VAL A 51 9.304 -3.712 4.684 1.00 0.00 O ATOM 773 CB VAL A 51 8.628 -6.115 6.989 1.00 0.00 C ATOM 774 CG1 VAL A 51 7.073 -6.008 7.013 1.00 0.00 C ATOM 775 CG2 VAL A 51 8.992 -7.117 5.962 1.00 0.00 C ATOM 0 H VAL A 51 7.686 -3.475 6.517 1.00 0.00 H new ATOM 0 HA VAL A 51 10.234 -4.711 7.450 1.00 0.00 H new ATOM 0 HB VAL A 51 8.989 -6.453 7.960 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.642 -7.002 7.131 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.765 -5.377 7.847 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.724 -5.570 6.078 1.00 0.00 H new ATOM 0 HG21 VAL A 51 8.450 -8.044 6.150 1.00 0.00 H new ATOM 0 HG22 VAL A 51 8.731 -6.737 4.974 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.064 -7.309 6.005 1.00 0.00 H new ATOM 785 N LYS A 52 10.870 -5.280 5.123 1.00 0.00 N ATOM 786 CA LYS A 52 11.538 -5.259 3.796 1.00 0.00 C ATOM 787 C LYS A 52 11.038 -6.495 3.077 1.00 0.00 C ATOM 788 O LYS A 52 10.567 -7.435 3.693 1.00 0.00 O ATOM 789 CB LYS A 52 13.086 -5.367 3.894 1.00 0.00 C ATOM 790 CG LYS A 52 13.668 -6.762 4.298 1.00 0.00 C ATOM 791 CD LYS A 52 13.543 -6.862 5.806 1.00 0.00 C ATOM 792 CE LYS A 52 14.240 -8.023 6.440 1.00 0.00 C ATOM 793 NZ LYS A 52 13.705 -9.284 5.839 1.00 0.00 N ATOM 0 H LYS A 52 11.282 -5.941 5.782 1.00 0.00 H new ATOM 0 HA LYS A 52 11.312 -4.319 3.293 1.00 0.00 H new ATOM 0 HB2 LYS A 52 13.508 -5.089 2.929 1.00 0.00 H new ATOM 0 HB3 LYS A 52 13.433 -4.630 4.618 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.119 -7.567 3.809 1.00 0.00 H new ATOM 0 HG3 LYS A 52 14.709 -6.852 3.988 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.933 -5.944 6.246 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.485 -6.914 6.062 1.00 0.00 H new ATOM 0 HE2 LYS A 52 15.316 -7.953 6.278 1.00 0.00 H new ATOM 0 HE3 LYS A 52 14.079 -8.019 7.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.078 -10.103 6.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.666 -9.282 5.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.998 -9.345 4.843 1.00 0.00 H new ATOM 807 N GLY A 53 11.199 -6.498 1.798 1.00 0.00 N ATOM 808 CA GLY A 53 10.726 -7.665 1.001 1.00 0.00 C ATOM 809 C GLY A 53 10.659 -7.214 -0.446 1.00 0.00 C ATOM 810 O GLY A 53 11.512 -6.464 -0.885 1.00 0.00 O ATOM 0 H GLY A 53 11.636 -5.749 1.261 1.00 0.00 H new ATOM 0 HA2 GLY A 53 11.407 -8.509 1.111 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.747 -7.998 1.347 1.00 0.00 H new ATOM 814 N LYS A 54 9.677 -7.648 -1.162 1.00 0.00 N ATOM 815 CA LYS A 54 9.501 -7.297 -2.585 1.00 0.00 C ATOM 816 C LYS A 54 8.185 -6.561 -2.630 1.00 0.00 C ATOM 817 O LYS A 54 7.452 -6.446 -1.667 1.00 0.00 O ATOM 818 CB LYS A 54 9.417 -8.610 -3.432 1.00 0.00 C ATOM 819 CG LYS A 54 9.995 -8.462 -4.869 1.00 0.00 C ATOM 820 CD LYS A 54 11.532 -8.409 -4.756 1.00 0.00 C ATOM 821 CE LYS A 54 12.181 -8.222 -6.158 1.00 0.00 C ATOM 822 NZ LYS A 54 12.950 -6.958 -6.248 1.00 0.00 N ATOM 0 H LYS A 54 8.951 -8.265 -0.799 1.00 0.00 H new ATOM 0 HA LYS A 54 10.320 -6.699 -2.984 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.956 -9.403 -2.913 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.375 -8.923 -3.499 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.687 -9.301 -5.493 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.615 -7.556 -5.342 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.825 -7.588 -4.102 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.900 -9.328 -4.299 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.841 -9.064 -6.368 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.403 -8.229 -6.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.482 -6.314 -6.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.994 -6.511 -5.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.914 -7.161 -6.580 1.00 0.00 H new ATOM 836 N VAL A 55 7.935 -6.099 -3.807 1.00 0.00 N ATOM 837 CA VAL A 55 6.684 -5.347 -4.083 1.00 0.00 C ATOM 838 C VAL A 55 6.222 -6.137 -5.295 1.00 0.00 C ATOM 839 O VAL A 55 6.016 -5.602 -6.363 1.00 0.00 O ATOM 840 CB VAL A 55 6.976 -3.928 -4.457 1.00 0.00 C ATOM 841 CG1 VAL A 55 5.600 -3.266 -4.504 1.00 0.00 C ATOM 842 CG2 VAL A 55 7.771 -3.357 -3.298 1.00 0.00 C ATOM 0 H VAL A 55 8.553 -6.209 -4.611 1.00 0.00 H new ATOM 0 HA VAL A 55 5.980 -5.272 -3.255 1.00 0.00 H new ATOM 0 HB VAL A 55 7.520 -3.796 -5.392 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.711 -2.215 -4.772 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.980 -3.767 -5.248 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.126 -3.343 -3.526 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.020 -2.316 -3.505 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.176 -3.413 -2.386 1.00 0.00 H new ATOM 0 HG23 VAL A 55 8.689 -3.931 -3.169 1.00 0.00 H new ATOM 852 N LEU A 56 6.084 -7.406 -5.045 1.00 0.00 N ATOM 853 CA LEU A 56 5.655 -8.377 -6.104 1.00 0.00 C ATOM 854 C LEU A 56 4.810 -7.746 -7.206 1.00 0.00 C ATOM 855 O LEU A 56 5.319 -7.490 -8.280 1.00 0.00 O ATOM 856 CB LEU A 56 4.863 -9.540 -5.454 1.00 0.00 C ATOM 857 CG LEU A 56 5.725 -10.288 -4.394 1.00 0.00 C ATOM 858 CD1 LEU A 56 4.892 -11.425 -3.778 1.00 0.00 C ATOM 859 CD2 LEU A 56 6.996 -10.895 -5.038 1.00 0.00 C ATOM 0 H LEU A 56 6.253 -7.827 -4.132 1.00 0.00 H new ATOM 0 HA LEU A 56 6.567 -8.741 -6.576 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.961 -9.150 -4.983 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.542 -10.240 -6.225 1.00 0.00 H new ATOM 0 HG LEU A 56 6.027 -9.572 -3.629 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.490 -11.953 -3.035 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.005 -11.009 -3.301 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.590 -12.120 -4.561 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.579 -11.411 -4.275 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.708 -11.603 -5.815 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.597 -10.099 -5.477 1.00 0.00 H new ATOM 871 N GLU A 57 3.572 -7.505 -6.897 1.00 0.00 N ATOM 872 CA GLU A 57 2.666 -6.900 -7.903 1.00 0.00 C ATOM 873 C GLU A 57 1.930 -5.717 -7.300 1.00 0.00 C ATOM 874 O GLU A 57 1.716 -5.648 -6.102 1.00 0.00 O ATOM 875 CB GLU A 57 1.658 -7.952 -8.345 1.00 0.00 C ATOM 876 CG GLU A 57 2.385 -9.243 -8.764 1.00 0.00 C ATOM 877 CD GLU A 57 1.301 -10.291 -8.918 1.00 0.00 C ATOM 878 OE1 GLU A 57 0.583 -10.169 -9.894 1.00 0.00 O ATOM 879 OE2 GLU A 57 1.263 -11.127 -8.034 1.00 0.00 O ATOM 0 H GLU A 57 3.148 -7.701 -5.990 1.00 0.00 H new ATOM 0 HA GLU A 57 3.248 -6.553 -8.756 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.963 -8.165 -7.532 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.067 -7.572 -9.178 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.928 -9.101 -9.698 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.116 -9.543 -8.013 1.00 0.00 H new ATOM 886 N ILE A 58 1.570 -4.838 -8.182 1.00 0.00 N ATOM 887 CA ILE A 58 0.833 -3.597 -7.871 1.00 0.00 C ATOM 888 C ILE A 58 -0.204 -3.827 -8.976 1.00 0.00 C ATOM 889 O ILE A 58 0.195 -3.906 -10.124 1.00 0.00 O ATOM 890 CB ILE A 58 1.734 -2.363 -8.164 1.00 0.00 C ATOM 891 CG1 ILE A 58 3.077 -2.456 -7.365 1.00 0.00 C ATOM 892 CG2 ILE A 58 0.985 -1.047 -7.803 1.00 0.00 C ATOM 893 CD1 ILE A 58 3.993 -1.228 -7.668 1.00 0.00 C ATOM 0 H ILE A 58 1.775 -4.943 -9.176 1.00 0.00 H new ATOM 0 HA ILE A 58 0.470 -3.419 -6.859 1.00 0.00 H new ATOM 0 HB ILE A 58 1.966 -2.355 -9.229 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.866 -2.503 -6.297 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.598 -3.377 -7.628 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.628 -0.193 -8.014 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.075 -0.971 -8.398 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.726 -1.054 -6.744 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.920 -1.316 -7.101 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.221 -1.198 -8.733 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.478 -0.311 -7.382 1.00 0.00 H new ATOM 905 N LEU A 59 -1.453 -3.940 -8.648 1.00 0.00 N ATOM 906 CA LEU A 59 -2.475 -4.167 -9.705 1.00 0.00 C ATOM 907 C LEU A 59 -2.969 -2.800 -10.155 1.00 0.00 C ATOM 908 O LEU A 59 -3.112 -2.537 -11.332 1.00 0.00 O ATOM 909 CB LEU A 59 -3.636 -5.003 -9.127 1.00 0.00 C ATOM 910 CG LEU A 59 -3.152 -6.448 -8.742 1.00 0.00 C ATOM 911 CD1 LEU A 59 -2.376 -6.491 -7.402 1.00 0.00 C ATOM 912 CD2 LEU A 59 -4.386 -7.363 -8.567 1.00 0.00 C ATOM 0 H LEU A 59 -1.814 -3.886 -7.696 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.057 -4.713 -10.551 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.044 -4.506 -8.247 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.441 -5.068 -9.859 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.490 -6.776 -9.544 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.069 -7.516 -7.192 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.494 -5.855 -7.472 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.019 -6.133 -6.598 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.059 -8.368 -8.300 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.024 -6.967 -7.777 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.947 -7.400 -9.501 1.00 0.00 H new ATOM 924 N VAL A 60 -3.228 -1.958 -9.205 1.00 0.00 N ATOM 925 CA VAL A 60 -3.707 -0.594 -9.528 1.00 0.00 C ATOM 926 C VAL A 60 -2.555 0.189 -8.885 1.00 0.00 C ATOM 927 O VAL A 60 -2.098 -0.211 -7.830 1.00 0.00 O ATOM 928 CB VAL A 60 -5.069 -0.322 -8.821 1.00 0.00 C ATOM 929 CG1 VAL A 60 -5.715 0.963 -9.394 1.00 0.00 C ATOM 930 CG2 VAL A 60 -6.023 -1.529 -9.031 1.00 0.00 C ATOM 0 H VAL A 60 -3.128 -2.157 -8.210 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.900 -0.367 -10.577 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.893 -0.186 -7.754 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.666 1.146 -8.895 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.049 1.810 -9.228 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.885 0.839 -10.464 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.973 -1.332 -8.534 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.195 -1.676 -10.097 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.572 -2.427 -8.609 1.00 0.00 H new ATOM 940 N PRO A 61 -2.096 1.251 -9.492 1.00 0.00 N ATOM 941 CA PRO A 61 -1.015 2.062 -8.895 1.00 0.00 C ATOM 942 C PRO A 61 -1.610 3.189 -8.033 1.00 0.00 C ATOM 943 O PRO A 61 -2.030 2.960 -6.914 1.00 0.00 O ATOM 944 CB PRO A 61 -0.256 2.492 -10.147 1.00 0.00 C ATOM 945 CG PRO A 61 -1.417 2.792 -11.175 1.00 0.00 C ATOM 946 CD PRO A 61 -2.527 1.767 -10.830 1.00 0.00 C ATOM 0 HA PRO A 61 -0.352 1.565 -8.186 1.00 0.00 H new ATOM 0 HB2 PRO A 61 0.360 3.373 -9.964 1.00 0.00 H new ATOM 0 HB3 PRO A 61 0.409 1.707 -10.506 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -1.779 3.815 -11.075 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.075 2.674 -12.203 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.510 2.235 -10.786 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -2.586 0.970 -11.571 1.00 0.00 H new ATOM 954 N GLU A 62 -1.622 4.352 -8.592 1.00 0.00 N ATOM 955 CA GLU A 62 -2.140 5.591 -7.973 1.00 0.00 C ATOM 956 C GLU A 62 -3.072 6.117 -9.048 1.00 0.00 C ATOM 957 O GLU A 62 -3.431 5.429 -9.992 1.00 0.00 O ATOM 958 CB GLU A 62 -0.922 6.547 -7.686 1.00 0.00 C ATOM 959 CG GLU A 62 0.232 6.389 -8.741 1.00 0.00 C ATOM 960 CD GLU A 62 -0.339 6.468 -10.151 1.00 0.00 C ATOM 961 OE1 GLU A 62 -0.952 7.475 -10.441 1.00 0.00 O ATOM 962 OE2 GLU A 62 -0.124 5.493 -10.837 1.00 0.00 O ATOM 0 H GLU A 62 -1.262 4.504 -9.534 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.654 5.474 -7.019 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.269 7.580 -7.684 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.530 6.341 -6.690 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.978 7.171 -8.597 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.739 5.435 -8.598 1.00 0.00 H new ATOM 969 N GLY A 63 -3.474 7.320 -8.832 1.00 0.00 N ATOM 970 CA GLY A 63 -4.377 7.990 -9.803 1.00 0.00 C ATOM 971 C GLY A 63 -5.814 7.553 -9.638 1.00 0.00 C ATOM 972 O GLY A 63 -6.714 8.369 -9.630 1.00 0.00 O ATOM 0 H GLY A 63 -3.219 7.881 -8.019 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.310 9.070 -9.674 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.046 7.769 -10.818 1.00 0.00 H new ATOM 976 N THR A 64 -6.013 6.275 -9.513 1.00 0.00 N ATOM 977 CA THR A 64 -7.399 5.764 -9.348 1.00 0.00 C ATOM 978 C THR A 64 -7.563 5.536 -7.836 1.00 0.00 C ATOM 979 O THR A 64 -6.607 5.639 -7.091 1.00 0.00 O ATOM 980 CB THR A 64 -7.503 4.460 -10.176 1.00 0.00 C ATOM 981 OG1 THR A 64 -6.854 4.746 -11.414 1.00 0.00 O ATOM 982 CG2 THR A 64 -8.949 4.163 -10.630 1.00 0.00 C ATOM 0 H THR A 64 -5.281 5.564 -9.518 1.00 0.00 H new ATOM 0 HA THR A 64 -8.185 6.434 -9.697 1.00 0.00 H new ATOM 0 HB THR A 64 -7.105 3.643 -9.574 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.883 3.953 -11.990 1.00 0.00 H new ATOM 0 HG21 THR A 64 -8.967 3.238 -11.207 1.00 0.00 H new ATOM 0 HG22 THR A 64 -9.591 4.057 -9.755 1.00 0.00 H new ATOM 0 HG23 THR A 64 -9.312 4.984 -11.249 1.00 0.00 H new ATOM 990 N VAL A 65 -8.755 5.227 -7.417 1.00 0.00 N ATOM 991 CA VAL A 65 -9.016 4.997 -5.974 1.00 0.00 C ATOM 992 C VAL A 65 -9.228 3.486 -5.856 1.00 0.00 C ATOM 993 O VAL A 65 -9.680 2.856 -6.794 1.00 0.00 O ATOM 994 CB VAL A 65 -10.292 5.800 -5.603 1.00 0.00 C ATOM 995 CG1 VAL A 65 -10.537 5.836 -4.076 1.00 0.00 C ATOM 996 CG2 VAL A 65 -10.204 7.260 -6.150 1.00 0.00 C ATOM 0 H VAL A 65 -9.570 5.123 -8.022 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.217 5.318 -5.306 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.133 5.285 -6.068 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -11.440 6.409 -3.866 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.657 4.819 -3.703 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.686 6.306 -3.582 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.108 7.805 -5.879 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.336 7.759 -5.718 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.106 7.237 -7.235 1.00 0.00 H new ATOM 1006 N ALA A 66 -8.894 2.957 -4.723 1.00 0.00 N ATOM 1007 CA ALA A 66 -9.032 1.517 -4.426 1.00 0.00 C ATOM 1008 C ALA A 66 -9.883 1.490 -3.185 1.00 0.00 C ATOM 1009 O ALA A 66 -10.107 2.504 -2.551 1.00 0.00 O ATOM 1010 CB ALA A 66 -7.674 0.970 -4.135 1.00 0.00 C ATOM 0 H ALA A 66 -8.509 3.498 -3.949 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.466 0.932 -5.237 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.750 -0.094 -3.912 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.030 1.114 -5.003 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.248 1.491 -3.277 1.00 0.00 H new ATOM 1016 N THR A 67 -10.337 0.329 -2.872 1.00 0.00 N ATOM 1017 CA THR A 67 -11.168 0.199 -1.671 1.00 0.00 C ATOM 1018 C THR A 67 -10.542 -0.934 -0.890 1.00 0.00 C ATOM 1019 O THR A 67 -9.351 -1.179 -0.977 1.00 0.00 O ATOM 1020 CB THR A 67 -12.629 -0.015 -2.191 1.00 0.00 C ATOM 1021 OG1 THR A 67 -13.446 -0.011 -1.027 1.00 0.00 O ATOM 1022 CG2 THR A 67 -12.861 -1.388 -2.836 1.00 0.00 C ATOM 0 H THR A 67 -10.170 -0.532 -3.392 1.00 0.00 H new ATOM 0 HA THR A 67 -11.219 1.051 -0.993 1.00 0.00 H new ATOM 0 HB THR A 67 -12.840 0.754 -2.934 1.00 0.00 H new ATOM 0 HG1 THR A 67 -12.978 0.452 -0.301 1.00 0.00 H new ATOM 0 HG21 THR A 67 -13.895 -1.462 -3.172 1.00 0.00 H new ATOM 0 HG22 THR A 67 -12.193 -1.507 -3.689 1.00 0.00 H new ATOM 0 HG23 THR A 67 -12.659 -2.172 -2.106 1.00 0.00 H new ATOM 1030 N VAL A 68 -11.378 -1.578 -0.161 1.00 0.00 N ATOM 1031 CA VAL A 68 -10.979 -2.722 0.679 1.00 0.00 C ATOM 1032 C VAL A 68 -11.879 -3.815 0.128 1.00 0.00 C ATOM 1033 O VAL A 68 -12.890 -3.560 -0.492 1.00 0.00 O ATOM 1034 CB VAL A 68 -11.323 -2.442 2.073 1.00 0.00 C ATOM 1035 CG1 VAL A 68 -11.003 -3.665 2.970 1.00 0.00 C ATOM 1036 CG2 VAL A 68 -10.519 -1.275 2.465 1.00 0.00 C ATOM 0 H VAL A 68 -12.371 -1.350 -0.108 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.916 -2.962 0.659 1.00 0.00 H new ATOM 0 HB VAL A 68 -12.388 -2.241 2.189 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -11.266 -3.437 4.003 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -11.579 -4.526 2.630 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.939 -3.893 2.908 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -10.734 -1.017 3.502 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.460 -1.511 2.362 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -10.766 -0.430 1.822 1.00 0.00 H new ATOM 1046 N GLY A 69 -11.504 -5.032 0.352 1.00 0.00 N ATOM 1047 CA GLY A 69 -12.346 -6.136 -0.176 1.00 0.00 C ATOM 1048 C GLY A 69 -11.485 -6.455 -1.424 1.00 0.00 C ATOM 1049 O GLY A 69 -11.214 -7.589 -1.751 1.00 0.00 O ATOM 0 H GLY A 69 -10.669 -5.313 0.867 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -12.432 -6.977 0.512 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.360 -5.822 -0.423 1.00 0.00 H new ATOM 1053 N GLN A 70 -11.075 -5.394 -2.074 1.00 0.00 N ATOM 1054 CA GLN A 70 -10.225 -5.408 -3.299 1.00 0.00 C ATOM 1055 C GLN A 70 -8.810 -5.395 -2.714 1.00 0.00 C ATOM 1056 O GLN A 70 -8.611 -5.063 -1.560 1.00 0.00 O ATOM 1057 CB GLN A 70 -10.439 -4.103 -4.096 1.00 0.00 C ATOM 1058 CG GLN A 70 -9.804 -4.108 -5.502 1.00 0.00 C ATOM 1059 CD GLN A 70 -9.957 -2.683 -6.032 1.00 0.00 C ATOM 1060 OE1 GLN A 70 -11.052 -2.189 -6.179 1.00 0.00 O ATOM 1061 NE2 GLN A 70 -8.914 -1.972 -6.326 1.00 0.00 N ATOM 0 H GLN A 70 -11.318 -4.449 -1.776 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.434 -6.245 -3.966 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -11.509 -3.922 -4.194 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.026 -3.271 -3.526 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.754 -4.398 -5.456 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -10.304 -4.824 -6.154 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -7.980 -2.365 -6.211 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -9.027 -1.019 -6.672 1.00 0.00 H new ATOM 1070 N THR A 71 -7.869 -5.753 -3.526 1.00 0.00 N ATOM 1071 CA THR A 71 -6.456 -5.770 -3.092 1.00 0.00 C ATOM 1072 C THR A 71 -5.864 -4.584 -3.883 1.00 0.00 C ATOM 1073 O THR A 71 -6.558 -3.885 -4.602 1.00 0.00 O ATOM 1074 CB THR A 71 -5.819 -7.063 -3.537 1.00 0.00 C ATOM 1075 OG1 THR A 71 -6.816 -8.073 -3.419 1.00 0.00 O ATOM 1076 CG2 THR A 71 -4.697 -7.563 -2.586 1.00 0.00 C ATOM 0 H THR A 71 -8.022 -6.041 -4.493 1.00 0.00 H new ATOM 0 HA THR A 71 -6.309 -5.694 -2.015 1.00 0.00 H new ATOM 0 HB THR A 71 -5.416 -6.888 -4.534 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.444 -8.935 -3.701 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.285 -8.497 -2.969 1.00 0.00 H new ATOM 0 HG22 THR A 71 -3.907 -6.814 -2.530 1.00 0.00 H new ATOM 0 HG23 THR A 71 -5.111 -7.730 -1.591 1.00 0.00 H new ATOM 1084 N LEU A 72 -4.588 -4.410 -3.729 1.00 0.00 N ATOM 1085 CA LEU A 72 -3.868 -3.300 -4.431 1.00 0.00 C ATOM 1086 C LEU A 72 -2.469 -3.789 -4.748 1.00 0.00 C ATOM 1087 O LEU A 72 -2.076 -3.950 -5.884 1.00 0.00 O ATOM 1088 CB LEU A 72 -3.776 -2.022 -3.518 1.00 0.00 C ATOM 1089 CG LEU A 72 -2.988 -0.876 -4.231 1.00 0.00 C ATOM 1090 CD1 LEU A 72 -3.821 -0.387 -5.416 1.00 0.00 C ATOM 1091 CD2 LEU A 72 -2.714 0.305 -3.248 1.00 0.00 C ATOM 0 H LEU A 72 -3.996 -4.995 -3.139 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.409 -3.029 -5.338 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.779 -1.677 -3.268 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.284 -2.277 -2.579 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.025 -1.254 -4.574 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.289 0.414 -5.929 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.989 -1.212 -6.108 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.780 -0.014 -5.057 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.164 1.090 -3.767 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.661 0.704 -2.885 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.125 -0.053 -2.404 1.00 0.00 H new ATOM 1103 N ILE A 73 -1.773 -4.004 -3.677 1.00 0.00 N ATOM 1104 CA ILE A 73 -0.370 -4.480 -3.688 1.00 0.00 C ATOM 1105 C ILE A 73 -0.323 -5.611 -2.660 1.00 0.00 C ATOM 1106 O ILE A 73 -1.254 -5.761 -1.880 1.00 0.00 O ATOM 1107 CB ILE A 73 0.535 -3.248 -3.292 1.00 0.00 C ATOM 1108 CG1 ILE A 73 1.961 -3.686 -2.826 1.00 0.00 C ATOM 1109 CG2 ILE A 73 -0.174 -2.398 -2.178 1.00 0.00 C ATOM 1110 CD1 ILE A 73 2.814 -2.458 -2.475 1.00 0.00 C ATOM 0 H ILE A 73 -2.144 -3.860 -2.738 1.00 0.00 H new ATOM 0 HA ILE A 73 -0.016 -4.854 -4.649 1.00 0.00 H new ATOM 0 HB ILE A 73 0.667 -2.636 -4.184 1.00 0.00 H new ATOM 0 HG12 ILE A 73 1.881 -4.341 -1.958 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.447 -4.260 -3.615 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.457 -1.550 -1.911 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.131 -2.034 -2.552 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.340 -3.019 -1.297 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.803 -2.782 -2.153 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.910 -1.819 -3.353 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.335 -1.900 -1.670 1.00 0.00 H new ATOM 1122 N THR A 74 0.749 -6.334 -2.735 1.00 0.00 N ATOM 1123 CA THR A 74 1.034 -7.475 -1.834 1.00 0.00 C ATOM 1124 C THR A 74 2.521 -7.272 -1.550 1.00 0.00 C ATOM 1125 O THR A 74 3.242 -6.655 -2.320 1.00 0.00 O ATOM 1126 CB THR A 74 0.740 -8.814 -2.571 1.00 0.00 C ATOM 1127 OG1 THR A 74 1.355 -9.864 -1.824 1.00 0.00 O ATOM 1128 CG2 THR A 74 1.455 -8.850 -3.913 1.00 0.00 C ATOM 0 H THR A 74 1.481 -6.169 -3.426 1.00 0.00 H new ATOM 0 HA THR A 74 0.433 -7.518 -0.926 1.00 0.00 H new ATOM 0 HB THR A 74 -0.339 -8.914 -2.684 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.185 -10.722 -2.265 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.239 -9.793 -4.415 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.109 -8.022 -4.532 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.530 -8.761 -3.755 1.00 0.00 H new ATOM 1136 N LEU A 75 2.914 -7.817 -0.458 1.00 0.00 N ATOM 1137 CA LEU A 75 4.325 -7.741 0.021 1.00 0.00 C ATOM 1138 C LEU A 75 4.683 -9.141 0.503 1.00 0.00 C ATOM 1139 O LEU A 75 3.826 -9.858 1.016 1.00 0.00 O ATOM 1140 CB LEU A 75 4.371 -6.726 1.150 1.00 0.00 C ATOM 1141 CG LEU A 75 5.601 -5.758 1.140 1.00 0.00 C ATOM 1142 CD1 LEU A 75 5.300 -4.581 2.106 1.00 0.00 C ATOM 1143 CD2 LEU A 75 6.867 -6.465 1.691 1.00 0.00 C ATOM 0 H LEU A 75 2.296 -8.340 0.162 1.00 0.00 H new ATOM 0 HA LEU A 75 5.032 -7.427 -0.747 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.460 -6.128 1.114 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.362 -7.263 2.098 1.00 0.00 H new ATOM 0 HG LEU A 75 5.771 -5.429 0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.145 -3.893 2.115 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.407 -4.054 1.771 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.137 -4.968 3.112 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.708 -5.771 1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.686 -6.790 2.716 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.099 -7.331 1.071 1.00 0.00 H new ATOM 1155 N ASP A 76 5.924 -9.489 0.345 1.00 0.00 N ATOM 1156 CA ASP A 76 6.397 -10.826 0.779 1.00 0.00 C ATOM 1157 C ASP A 76 7.259 -10.375 1.947 1.00 0.00 C ATOM 1158 O ASP A 76 7.893 -9.339 1.906 1.00 0.00 O ATOM 1159 CB ASP A 76 7.209 -11.506 -0.379 1.00 0.00 C ATOM 1160 CG ASP A 76 8.691 -11.204 -0.397 1.00 0.00 C ATOM 1161 OD1 ASP A 76 8.989 -10.050 -0.535 1.00 0.00 O ATOM 1162 OD2 ASP A 76 9.447 -12.143 -0.279 1.00 0.00 O ATOM 0 H ASP A 76 6.641 -8.895 -0.072 1.00 0.00 H new ATOM 0 HA ASP A 76 5.648 -11.575 1.036 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.076 -12.586 -0.307 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.780 -11.195 -1.332 1.00 0.00 H new ATOM 1167 N ALA A 77 7.239 -11.145 2.986 1.00 0.00 N ATOM 1168 CA ALA A 77 8.050 -10.779 4.180 1.00 0.00 C ATOM 1169 C ALA A 77 8.684 -12.040 4.769 1.00 0.00 C ATOM 1170 O ALA A 77 8.794 -12.155 5.969 1.00 0.00 O ATOM 1171 CB ALA A 77 7.112 -10.107 5.205 1.00 0.00 C ATOM 0 H ALA A 77 6.702 -12.008 3.067 1.00 0.00 H new ATOM 0 HA ALA A 77 8.851 -10.090 3.912 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.682 -9.828 6.091 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.669 -9.215 4.763 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.322 -10.803 5.486 1.00 0.00 H new ATOM 1177 N PRO A 78 9.081 -12.950 3.922 1.00 0.00 N ATOM 1178 CA PRO A 78 8.999 -14.420 4.149 1.00 0.00 C ATOM 1179 C PRO A 78 9.260 -14.986 5.566 1.00 0.00 C ATOM 1180 O PRO A 78 10.174 -15.756 5.781 1.00 0.00 O ATOM 1181 CB PRO A 78 9.963 -14.999 3.056 1.00 0.00 C ATOM 1182 CG PRO A 78 10.753 -13.763 2.523 1.00 0.00 C ATOM 1183 CD PRO A 78 9.718 -12.633 2.620 1.00 0.00 C ATOM 0 HA PRO A 78 7.958 -14.733 4.067 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.635 -15.746 3.478 1.00 0.00 H new ATOM 0 HB3 PRO A 78 9.406 -15.487 2.256 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.636 -13.556 3.127 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.095 -13.912 1.499 1.00 0.00 H new ATOM 0 HD2 PRO A 78 10.182 -11.647 2.616 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.005 -12.653 1.795 1.00 0.00 H new ATOM 1191 N GLY A 79 8.440 -14.595 6.490 1.00 0.00 N ATOM 1192 CA GLY A 79 8.555 -15.057 7.907 1.00 0.00 C ATOM 1193 C GLY A 79 7.936 -13.963 8.770 1.00 0.00 C ATOM 1194 O GLY A 79 8.450 -13.613 9.814 1.00 0.00 O ATOM 0 H GLY A 79 7.666 -13.952 6.323 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.035 -16.004 8.050 1.00 0.00 H new ATOM 0 HA3 GLY A 79 9.598 -15.222 8.178 1.00 0.00 H new ATOM 1198 N TYR A 80 6.833 -13.497 8.254 1.00 0.00 N ATOM 1199 CA TYR A 80 5.954 -12.430 8.798 1.00 0.00 C ATOM 1200 C TYR A 80 4.643 -12.710 8.012 1.00 0.00 C ATOM 1201 O TYR A 80 4.740 -13.154 6.863 1.00 0.00 O ATOM 1202 CB TYR A 80 6.467 -11.025 8.414 1.00 0.00 C ATOM 1203 CG TYR A 80 7.351 -10.258 9.439 1.00 0.00 C ATOM 1204 CD1 TYR A 80 7.087 -10.168 10.797 1.00 0.00 C ATOM 1205 CD2 TYR A 80 8.475 -9.607 8.961 1.00 0.00 C ATOM 1206 CE1 TYR A 80 7.925 -9.450 11.633 1.00 0.00 C ATOM 1207 CE2 TYR A 80 9.305 -8.894 9.793 1.00 0.00 C ATOM 1208 CZ TYR A 80 9.038 -8.807 11.147 1.00 0.00 C ATOM 1209 OH TYR A 80 9.836 -8.118 12.038 1.00 0.00 O ATOM 1210 OXT TYR A 80 3.611 -12.459 8.595 1.00 0.00 O ATOM 0 H TYR A 80 6.473 -13.864 7.373 1.00 0.00 H new ATOM 0 HA TYR A 80 5.876 -12.441 9.885 1.00 0.00 H new ATOM 0 HB2 TYR A 80 7.036 -11.120 7.489 1.00 0.00 H new ATOM 0 HB3 TYR A 80 5.600 -10.403 8.192 1.00 0.00 H new ATOM 0 HD1 TYR A 80 6.219 -10.663 11.207 1.00 0.00 H new ATOM 0 HD2 TYR A 80 8.706 -9.661 7.907 1.00 0.00 H new ATOM 0 HE1 TYR A 80 7.700 -9.394 12.688 1.00 0.00 H new ATOM 0 HE2 TYR A 80 10.173 -8.397 9.386 1.00 0.00 H new ATOM 0 HH TYR A 80 10.588 -7.713 11.558 1.00 0.00 H new