USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 514 hydrogens (14 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 NoAdj-H: A 45 PTR HN2 : A 45 PTR N : A 44 TRP C :(H bumps) USER MOD NoAdj-H: A 45 PTR H : A 45 PTR N : A 44 TRP C :(H bumps) USER MOD NoAdj-H: A 51 TPO H2 : A 51 TPO N : A 50 LEU C :(H bumps) USER MOD Set 1.1: A 14 CYS SG : rot 164:sc= 0.598! USER MOD Set 1.2: A 23 CYS SG : rot 96:sc= -0.066! USER MOD Set 1.3: A 36 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 17 SER OG : rot 180:sc= 0.182 USER MOD Set 2.2: A 33 ASN : amide:sc= -0.467 K(o=-0.29,f=-1.3) USER MOD Set 3.1: A 16 HIS : no HD1:sc= -1.31 X(o=-4.3,f=-4.8) USER MOD Set 3.2: A 26 CYS SG : rot -150:sc= -2.96! USER MOD Set 4.1: A 7 THR OG1 : rot -16:sc= 1.1 USER MOD Set 4.2: A 8 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 1 GLY N :NH3+ 159:sc= -0.203 (180deg=-0.973) USER MOD Set 5.2: A 9 MET CE :methyl -128:sc= -0.0678 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0413 USER MOD Single : A 5 MET CE :methyl -163:sc= -0.0936 (180deg=-0.521) USER MOD Single : A 11 GLN : amide:sc= -0.869 X(o=-0.87,f=-0.89) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0543 USER MOD Single : A 25 LYS NZ :NH3+ 169:sc= 0.0722 (180deg=-0.0482) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 31 TYR OH : rot 63:sc= 0.387 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 168:sc= -0.0703 (180deg=-0.455) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.634 -46.257 -25.190 1.00100.00 N ATOM 2 CA GLY A 1 -26.367 -45.420 -24.224 1.00100.00 C ATOM 3 C GLY A 1 -27.487 -44.755 -24.943 1.00100.00 C ATOM 4 O GLY A 1 -27.269 -44.043 -25.924 1.00100.00 O ATOM 0 H1 GLY A 1 -24.676 -46.443 -24.831 1.00100.00 H new ATOM 0 H2 GLY A 1 -26.136 -47.158 -25.319 1.00100.00 H new ATOM 0 H3 GLY A 1 -25.572 -45.761 -26.102 1.00100.00 H new ATOM 0 HA2 GLY A 1 -26.749 -46.030 -23.405 1.00100.00 H new ATOM 0 HA3 GLY A 1 -25.703 -44.676 -23.784 1.00100.00 H new ATOM 10 N SER A 2 -28.714 -45.198 -24.594 1.00100.00 N ATOM 11 CA SER A 2 -29.946 -44.689 -25.149 1.00100.00 C ATOM 12 C SER A 2 -30.097 -43.229 -24.812 1.00100.00 C ATOM 13 O SER A 2 -30.465 -42.424 -25.668 1.00100.00 O ATOM 14 CB SER A 2 -31.167 -45.489 -24.641 1.00100.00 C ATOM 15 OG SER A 2 -31.247 -45.416 -23.235 1.00100.00 O ATOM 0 H SER A 2 -28.858 -45.935 -23.903 1.00100.00 H new ATOM 0 HA SER A 2 -29.903 -44.804 -26.232 1.00100.00 H new ATOM 0 HB2 SER A 2 -32.080 -45.094 -25.085 1.00100.00 H new ATOM 0 HB3 SER A 2 -31.085 -46.530 -24.954 1.00100.00 H new ATOM 0 HG SER A 2 -32.025 -45.925 -22.925 1.00100.00 H new ATOM 21 N THR A 3 -29.792 -42.876 -23.542 1.00100.00 N ATOM 22 CA THR A 3 -29.841 -41.529 -23.044 1.00100.00 C ATOM 23 C THR A 3 -28.544 -40.838 -23.412 1.00100.00 C ATOM 24 O THR A 3 -27.583 -41.486 -23.843 1.00100.00 O ATOM 25 CB THR A 3 -30.152 -41.464 -21.551 1.00100.00 C ATOM 26 OG1 THR A 3 -30.370 -40.126 -21.161 1.00100.00 O ATOM 27 CG2 THR A 3 -28.992 -42.043 -20.743 1.00100.00 C ATOM 0 H THR A 3 -29.501 -43.554 -22.838 1.00100.00 H new ATOM 0 HA THR A 3 -30.670 -40.999 -23.513 1.00100.00 H new ATOM 0 HB THR A 3 -31.051 -42.050 -21.359 1.00100.00 H new ATOM 0 HG1 THR A 3 -30.571 -40.093 -20.202 1.00100.00 H new ATOM 0 HG21 THR A 3 -29.227 -41.990 -19.680 1.00100.00 H new ATOM 0 HG22 THR A 3 -28.833 -43.083 -21.028 1.00100.00 H new ATOM 0 HG23 THR A 3 -28.087 -41.469 -20.943 1.00100.00 H new ATOM 35 N ALA A 4 -28.505 -39.492 -23.265 1.00100.00 N ATOM 36 CA ALA A 4 -27.319 -38.752 -23.592 1.00100.00 C ATOM 37 C ALA A 4 -26.410 -38.833 -22.411 1.00100.00 C ATOM 38 O ALA A 4 -26.713 -38.337 -21.322 1.00100.00 O ATOM 39 CB ALA A 4 -27.571 -37.266 -23.917 1.00100.00 C ATOM 0 H ALA A 4 -29.283 -38.926 -22.925 1.00100.00 H new ATOM 0 HA ALA A 4 -26.894 -39.192 -24.494 1.00100.00 H new ATOM 0 HB1 ALA A 4 -26.625 -36.780 -24.153 1.00100.00 H new ATOM 0 HB2 ALA A 4 -28.242 -37.189 -24.773 1.00100.00 H new ATOM 0 HB3 ALA A 4 -28.025 -36.777 -23.055 1.00100.00 H new ATOM 45 N MET A 5 -25.263 -39.508 -22.631 1.00100.00 N ATOM 46 CA MET A 5 -24.270 -39.686 -21.616 1.00100.00 C ATOM 47 C MET A 5 -23.227 -38.702 -22.028 1.00100.00 C ATOM 48 O MET A 5 -22.583 -38.874 -23.064 1.00100.00 O ATOM 49 CB MET A 5 -23.628 -41.094 -21.636 1.00100.00 C ATOM 50 CG MET A 5 -24.682 -42.165 -21.355 1.00100.00 C ATOM 51 SD MET A 5 -25.525 -41.992 -19.762 1.00100.00 S ATOM 52 CE MET A 5 -24.098 -42.119 -18.653 1.00100.00 C ATOM 0 H MET A 5 -25.023 -39.935 -23.526 1.00100.00 H new ATOM 0 HA MET A 5 -24.690 -39.560 -20.618 1.00100.00 H new ATOM 0 HB2 MET A 5 -23.165 -41.276 -22.606 1.00100.00 H new ATOM 0 HB3 MET A 5 -22.836 -41.150 -20.890 1.00100.00 H new ATOM 0 HG2 MET A 5 -25.427 -42.140 -22.150 1.00100.00 H new ATOM 0 HG3 MET A 5 -24.205 -43.145 -21.395 1.00100.00 H new ATOM 0 HE1 MET A 5 -24.441 -42.336 -17.641 1.00100.00 H new ATOM 0 HE2 MET A 5 -23.443 -42.921 -18.993 1.00100.00 H new ATOM 0 HE3 MET A 5 -23.550 -41.177 -18.656 1.00100.00 H new ATOM 62 N ALA A 6 -23.123 -37.594 -21.252 1.00100.00 N ATOM 63 CA ALA A 6 -22.205 -36.500 -21.479 1.00100.00 C ATOM 64 C ALA A 6 -22.290 -35.971 -22.891 1.00100.00 C ATOM 65 O ALA A 6 -21.280 -35.786 -23.576 1.00100.00 O ATOM 66 CB ALA A 6 -20.737 -36.779 -21.072 1.00100.00 C ATOM 0 H ALA A 6 -23.706 -37.454 -20.427 1.00100.00 H new ATOM 0 HA ALA A 6 -22.546 -35.722 -20.796 1.00100.00 H new ATOM 0 HB1 ALA A 6 -20.128 -35.899 -21.281 1.00100.00 H new ATOM 0 HB2 ALA A 6 -20.692 -37.007 -20.007 1.00100.00 H new ATOM 0 HB3 ALA A 6 -20.357 -37.627 -21.641 1.00100.00 H new ATOM 72 N THR A 7 -23.550 -35.761 -23.349 1.00100.00 N ATOM 73 CA THR A 7 -23.957 -35.263 -24.644 1.00100.00 C ATOM 74 C THR A 7 -23.767 -36.212 -25.793 1.00100.00 C ATOM 75 O THR A 7 -24.744 -36.486 -26.494 1.00100.00 O ATOM 76 CB THR A 7 -23.501 -33.855 -25.033 1.00100.00 C ATOM 77 OG1 THR A 7 -22.104 -33.816 -25.222 1.00100.00 O ATOM 78 CG2 THR A 7 -23.893 -32.860 -23.942 1.00100.00 C ATOM 0 H THR A 7 -24.357 -35.958 -22.757 1.00100.00 H new ATOM 0 HA THR A 7 -25.027 -35.178 -24.457 1.00100.00 H new ATOM 0 HB THR A 7 -23.990 -33.585 -25.969 1.00100.00 H new ATOM 0 HG1 THR A 7 -21.697 -34.612 -24.820 1.00100.00 H new ATOM 0 HG21 THR A 7 -23.565 -31.860 -24.226 1.00100.00 H new ATOM 0 HG22 THR A 7 -24.976 -32.865 -23.817 1.00100.00 H new ATOM 0 HG23 THR A 7 -23.418 -33.144 -23.003 1.00100.00 H new ATOM 86 N THR A 8 -22.542 -36.757 -25.999 1.00100.00 N ATOM 87 CA THR A 8 -22.308 -37.644 -27.113 1.00100.00 C ATOM 88 C THR A 8 -21.919 -39.011 -26.603 1.00100.00 C ATOM 89 O THR A 8 -21.179 -39.150 -25.628 1.00100.00 O ATOM 90 CB THR A 8 -21.243 -37.110 -28.046 1.00100.00 C ATOM 91 OG1 THR A 8 -21.607 -35.812 -28.463 1.00100.00 O ATOM 92 CG2 THR A 8 -21.112 -38.003 -29.278 1.00100.00 C ATOM 0 H THR A 8 -21.729 -36.588 -25.407 1.00100.00 H new ATOM 0 HA THR A 8 -23.234 -37.716 -27.684 1.00100.00 H new ATOM 0 HB THR A 8 -20.290 -37.091 -27.518 1.00100.00 H new ATOM 0 HG1 THR A 8 -20.921 -35.458 -29.067 1.00100.00 H new ATOM 0 HG21 THR A 8 -20.341 -37.603 -29.937 1.00100.00 H new ATOM 0 HG22 THR A 8 -20.837 -39.011 -28.969 1.00100.00 H new ATOM 0 HG23 THR A 8 -22.064 -38.033 -29.809 1.00100.00 H new ATOM 100 N MET A 9 -22.450 -40.051 -27.288 1.00100.00 N ATOM 101 CA MET A 9 -22.233 -41.440 -26.981 1.00100.00 C ATOM 102 C MET A 9 -21.243 -42.102 -27.918 1.00100.00 C ATOM 103 O MET A 9 -20.811 -41.513 -28.910 1.00100.00 O ATOM 104 CB MET A 9 -23.578 -42.225 -26.957 1.00100.00 C ATOM 105 CG MET A 9 -23.429 -43.614 -26.336 1.00100.00 C ATOM 106 SD MET A 9 -22.860 -43.594 -24.618 1.00100.00 S ATOM 107 CE MET A 9 -22.339 -45.321 -24.480 1.00100.00 C ATOM 0 H MET A 9 -23.060 -39.916 -28.094 1.00100.00 H new ATOM 0 HA MET A 9 -21.792 -41.470 -25.985 1.00100.00 H new ATOM 0 HB2 MET A 9 -24.318 -41.656 -26.395 1.00100.00 H new ATOM 0 HB3 MET A 9 -23.957 -42.323 -27.974 1.00100.00 H new ATOM 0 HG2 MET A 9 -24.389 -44.127 -26.384 1.00100.00 H new ATOM 0 HG3 MET A 9 -22.727 -44.195 -26.934 1.00100.00 H new ATOM 0 HE1 MET A 9 -22.804 -45.772 -23.604 1.00100.00 H new ATOM 0 HE2 MET A 9 -22.644 -45.866 -25.374 1.00100.00 H new ATOM 0 HE3 MET A 9 -21.255 -45.367 -24.379 1.00100.00 H new ATOM 117 N GLU A 10 -20.620 -43.180 -27.373 1.00100.00 N ATOM 118 CA GLU A 10 -19.635 -44.077 -27.947 1.00100.00 C ATOM 119 C GLU A 10 -18.235 -43.560 -28.015 1.00100.00 C ATOM 120 O GLU A 10 -17.319 -44.310 -28.355 1.00100.00 O ATOM 121 CB GLU A 10 -20.029 -44.677 -29.321 1.00100.00 C ATOM 122 CG GLU A 10 -21.371 -45.400 -29.221 1.00100.00 C ATOM 123 CD GLU A 10 -21.735 -46.041 -30.552 1.00100.00 C ATOM 124 OE1 GLU A 10 -22.283 -45.309 -31.402 1.00100.00 O ATOM 125 OE2 GLU A 10 -21.457 -47.251 -30.696 1.00100.00 O ATOM 0 H GLU A 10 -20.834 -43.454 -26.414 1.00100.00 H new ATOM 0 HA GLU A 10 -19.640 -44.876 -27.205 1.00100.00 H new ATOM 0 HB2 GLU A 10 -20.090 -43.885 -30.067 1.00100.00 H new ATOM 0 HB3 GLU A 10 -19.259 -45.371 -29.656 1.00100.00 H new ATOM 0 HG2 GLU A 10 -21.322 -46.164 -28.445 1.00100.00 H new ATOM 0 HG3 GLU A 10 -22.149 -44.695 -28.926 1.00100.00 H new ATOM 132 N GLN A 11 -18.032 -42.284 -27.638 1.00100.00 N ATOM 133 CA GLN A 11 -16.725 -41.706 -27.628 1.00100.00 C ATOM 134 C GLN A 11 -16.095 -41.750 -26.248 1.00100.00 C ATOM 135 O GLN A 11 -14.993 -41.247 -26.056 1.00100.00 O ATOM 136 CB GLN A 11 -16.682 -40.380 -28.427 1.00100.00 C ATOM 137 CG GLN A 11 -17.635 -39.310 -27.910 1.00100.00 C ATOM 138 CD GLN A 11 -17.569 -38.087 -28.819 1.00100.00 C ATOM 139 OE1 GLN A 11 -17.997 -38.150 -29.968 1.00100.00 O ATOM 140 NE2 GLN A 11 -17.020 -36.980 -28.313 1.00100.00 N ATOM 0 H GLN A 11 -18.775 -41.652 -27.340 1.00100.00 H new ATOM 0 HA GLN A 11 -16.032 -42.327 -28.196 1.00100.00 H new ATOM 0 HB2 GLN A 11 -15.665 -39.987 -28.404 1.00100.00 H new ATOM 0 HB3 GLN A 11 -16.919 -40.589 -29.470 1.00100.00 H new ATOM 0 HG2 GLN A 11 -18.653 -39.699 -27.879 1.00100.00 H new ATOM 0 HG3 GLN A 11 -17.369 -39.033 -26.890 1.00100.00 H new ATOM 0 HE21 GLN A 11 -16.678 -36.974 -27.352 1.00100.00 H new ATOM 0 HE22 GLN A 11 -16.943 -36.141 -28.887 1.00100.00 H new ATOM 149 N GLU A 12 -16.792 -42.390 -25.266 1.00100.00 N ATOM 150 CA GLU A 12 -16.412 -42.629 -23.881 1.00100.00 C ATOM 151 C GLU A 12 -16.310 -41.418 -22.994 1.00100.00 C ATOM 152 O GLU A 12 -16.440 -40.310 -23.497 1.00100.00 O ATOM 153 CB GLU A 12 -15.271 -43.639 -23.682 1.00100.00 C ATOM 154 CG GLU A 12 -15.655 -45.005 -24.243 1.00100.00 C ATOM 155 CD GLU A 12 -14.608 -46.065 -23.917 1.00100.00 C ATOM 156 OE1 GLU A 12 -13.600 -45.705 -23.270 1.00100.00 O ATOM 157 OE2 GLU A 12 -14.838 -47.226 -24.319 1.00100.00 O ATOM 0 H GLU A 12 -17.714 -42.779 -25.463 1.00100.00 H new ATOM 0 HA GLU A 12 -17.302 -43.134 -23.505 1.00100.00 H new ATOM 0 HB2 GLU A 12 -14.369 -43.278 -24.176 1.00100.00 H new ATOM 0 HB3 GLU A 12 -15.039 -43.728 -22.621 1.00100.00 H new ATOM 0 HG2 GLU A 12 -16.619 -45.308 -23.834 1.00100.00 H new ATOM 0 HG3 GLU A 12 -15.776 -44.933 -25.324 1.00100.00 H new ATOM 164 N ILE A 13 -16.162 -41.576 -21.640 1.00100.00 N ATOM 165 CA ILE A 13 -16.093 -40.418 -20.756 1.00100.00 C ATOM 166 C ILE A 13 -15.105 -40.687 -19.625 1.00100.00 C ATOM 167 O ILE A 13 -15.232 -41.710 -18.945 1.00100.00 O ATOM 168 CB ILE A 13 -17.426 -40.208 -20.015 1.00100.00 C ATOM 169 CG1 ILE A 13 -18.576 -40.070 -21.020 1.00100.00 C ATOM 170 CG2 ILE A 13 -17.332 -38.939 -19.158 1.00100.00 C ATOM 171 CD1 ILE A 13 -19.939 -40.062 -20.325 1.00100.00 C ATOM 0 H ILE A 13 -16.092 -42.478 -21.170 1.00100.00 H new ATOM 0 HA ILE A 13 -15.823 -39.569 -21.384 1.00100.00 H new ATOM 0 HB ILE A 13 -17.622 -41.070 -19.377 1.00100.00 H new ATOM 0 HG12 ILE A 13 -18.453 -39.149 -21.589 1.00100.00 H new ATOM 0 HG13 ILE A 13 -18.536 -40.893 -21.733 1.00100.00 H new ATOM 0 HG21 ILE A 13 -18.274 -38.785 -18.631 1.00100.00 H new ATOM 0 HG22 ILE A 13 -16.524 -39.048 -18.434 1.00100.00 H new ATOM 0 HG23 ILE A 13 -17.131 -38.081 -19.799 1.00100.00 H new ATOM 0 HD11 ILE A 13 -20.727 -39.963 -21.071 1.00100.00 H new ATOM 0 HD12 ILE A 13 -20.073 -40.995 -19.777 1.00100.00 H new ATOM 0 HD13 ILE A 13 -19.989 -39.223 -19.631 1.00100.00 H new ATOM 183 N CYS A 14 -14.107 -39.784 -19.394 1.00100.00 N ATOM 184 CA CYS A 14 -13.164 -39.905 -18.294 1.00100.00 C ATOM 185 C CYS A 14 -13.176 -38.598 -17.501 1.00100.00 C ATOM 186 O CYS A 14 -14.223 -38.245 -16.957 1.00100.00 O ATOM 187 CB CYS A 14 -11.726 -40.333 -18.663 1.00100.00 C ATOM 188 SG CYS A 14 -10.722 -40.373 -17.151 1.00100.00 S ATOM 0 H CYS A 14 -13.953 -38.961 -19.977 1.00100.00 H new ATOM 0 HA CYS A 14 -13.512 -40.743 -17.690 1.00100.00 H new ATOM 0 HB2 CYS A 14 -11.734 -41.315 -19.137 1.00100.00 H new ATOM 0 HB3 CYS A 14 -11.297 -39.635 -19.382 1.00100.00 H new ATOM 0 HG CYS A 14 -9.631 -41.045 -17.372 1.00100.00 H new ATOM 194 N ALA A 15 -12.037 -37.835 -17.432 1.00100.00 N ATOM 195 CA ALA A 15 -11.927 -36.585 -16.724 1.00100.00 C ATOM 196 C ALA A 15 -12.113 -35.333 -17.560 1.00100.00 C ATOM 197 O ALA A 15 -13.144 -34.694 -17.377 1.00100.00 O ATOM 198 CB ALA A 15 -10.594 -36.454 -15.973 1.00100.00 C ATOM 0 H ALA A 15 -11.168 -38.110 -17.890 1.00100.00 H new ATOM 0 HA ALA A 15 -12.766 -36.639 -16.030 1.00100.00 H new ATOM 0 HB1 ALA A 15 -10.560 -35.495 -15.456 1.00100.00 H new ATOM 0 HB2 ALA A 15 -10.505 -37.261 -15.246 1.00100.00 H new ATOM 0 HB3 ALA A 15 -9.769 -36.512 -16.683 1.00100.00 H new ATOM 204 N HIS A 16 -11.176 -34.913 -18.479 1.00100.00 N ATOM 205 CA HIS A 16 -11.436 -33.710 -19.266 1.00100.00 C ATOM 206 C HIS A 16 -11.055 -33.557 -20.731 1.00100.00 C ATOM 207 O HIS A 16 -9.955 -33.139 -21.083 1.00100.00 O ATOM 208 CB HIS A 16 -11.107 -32.360 -18.559 1.00100.00 C ATOM 209 CG HIS A 16 -9.672 -32.160 -18.163 1.00100.00 C ATOM 210 ND1 HIS A 16 -9.119 -32.495 -16.949 1.00100.00 N ATOM 211 CD2 HIS A 16 -8.723 -31.484 -18.883 1.00100.00 C ATOM 212 CE1 HIS A 16 -7.856 -32.028 -16.947 1.00100.00 C ATOM 213 NE2 HIS A 16 -7.569 -31.405 -18.101 1.00100.00 N ATOM 0 H HIS A 16 -10.288 -35.379 -18.668 1.00100.00 H new ATOM 0 HA HIS A 16 -12.499 -33.948 -19.315 1.00100.00 H new ATOM 0 HB2 HIS A 16 -11.398 -31.545 -19.221 1.00100.00 H new ATOM 0 HB3 HIS A 16 -11.725 -32.280 -17.665 1.00100.00 H new ATOM 0 HD2 HIS A 16 -8.846 -31.083 -19.878 1.00100.00 H new ATOM 0 HE1 HIS A 16 -7.165 -32.140 -16.125 1.00100.00 H new ATOM 0 HE2 HIS A 16 -6.686 -30.963 -18.355 1.00100.00 H new ATOM 221 N SER A 17 -12.015 -33.876 -21.623 1.00100.00 N ATOM 222 CA SER A 17 -11.947 -33.753 -23.058 1.00100.00 C ATOM 223 C SER A 17 -10.797 -34.305 -23.884 1.00100.00 C ATOM 224 O SER A 17 -10.219 -33.564 -24.686 1.00100.00 O ATOM 225 CB SER A 17 -12.287 -32.293 -23.456 1.00100.00 C ATOM 226 OG SER A 17 -13.574 -31.957 -22.987 1.00100.00 O ATOM 0 H SER A 17 -12.913 -34.251 -21.318 1.00100.00 H new ATOM 0 HA SER A 17 -12.687 -34.497 -23.353 1.00100.00 H new ATOM 0 HB2 SER A 17 -11.548 -31.611 -23.037 1.00100.00 H new ATOM 0 HB3 SER A 17 -12.245 -32.183 -24.540 1.00100.00 H new ATOM 0 HG SER A 17 -13.783 -31.034 -23.240 1.00100.00 H new ATOM 232 N MET A 18 -10.421 -35.606 -23.723 1.00100.00 N ATOM 233 CA MET A 18 -9.337 -36.144 -24.527 1.00100.00 C ATOM 234 C MET A 18 -9.477 -37.434 -25.295 1.00100.00 C ATOM 235 O MET A 18 -10.210 -37.448 -26.274 1.00100.00 O ATOM 236 CB MET A 18 -7.909 -36.054 -23.939 1.00100.00 C ATOM 237 CG MET A 18 -7.215 -34.720 -24.218 1.00100.00 C ATOM 238 SD MET A 18 -7.764 -33.304 -23.237 1.00100.00 S ATOM 239 CE MET A 18 -6.704 -32.036 -23.974 1.00100.00 C ATOM 0 H MET A 18 -10.846 -36.261 -23.066 1.00100.00 H new ATOM 0 HA MET A 18 -9.488 -35.378 -25.288 1.00100.00 H new ATOM 0 HB2 MET A 18 -7.958 -36.210 -22.861 1.00100.00 H new ATOM 0 HB3 MET A 18 -7.304 -36.862 -24.351 1.00100.00 H new ATOM 0 HG2 MET A 18 -6.145 -34.852 -24.057 1.00100.00 H new ATOM 0 HG3 MET A 18 -7.352 -34.478 -25.272 1.00100.00 H new ATOM 0 HE1 MET A 18 -6.898 -31.076 -23.495 1.00100.00 H new ATOM 0 HE2 MET A 18 -5.658 -32.308 -23.832 1.00100.00 H new ATOM 0 HE3 MET A 18 -6.917 -31.959 -25.040 1.00100.00 H new ATOM 249 N THR A 19 -8.715 -38.510 -24.955 1.00100.00 N ATOM 250 CA THR A 19 -8.718 -39.760 -25.683 1.00100.00 C ATOM 251 C THR A 19 -8.622 -40.918 -24.722 1.00100.00 C ATOM 252 O THR A 19 -8.245 -40.754 -23.561 1.00100.00 O ATOM 253 CB THR A 19 -7.525 -39.829 -26.653 1.00100.00 C ATOM 254 OG1 THR A 19 -7.468 -38.626 -27.386 1.00100.00 O ATOM 255 CG2 THR A 19 -7.617 -40.988 -27.645 1.00100.00 C ATOM 0 H THR A 19 -8.082 -38.509 -24.155 1.00100.00 H new ATOM 0 HA THR A 19 -9.649 -39.817 -26.248 1.00100.00 H new ATOM 0 HB THR A 19 -6.632 -39.986 -26.048 1.00100.00 H new ATOM 0 HG1 THR A 19 -6.711 -38.657 -28.007 1.00100.00 H new ATOM 0 HG21 THR A 19 -6.745 -40.978 -28.299 1.00100.00 H new ATOM 0 HG22 THR A 19 -7.651 -41.931 -27.100 1.00100.00 H new ATOM 0 HG23 THR A 19 -8.521 -40.883 -28.245 1.00100.00 H new ATOM 263 N PHE A 20 -8.956 -42.142 -25.197 1.00100.00 N ATOM 264 CA PHE A 20 -8.916 -43.368 -24.433 1.00100.00 C ATOM 265 C PHE A 20 -7.509 -43.607 -23.930 1.00100.00 C ATOM 266 O PHE A 20 -7.313 -43.907 -22.752 1.00100.00 O ATOM 267 CB PHE A 20 -9.330 -44.545 -25.360 1.00100.00 C ATOM 268 CG PHE A 20 -9.294 -45.898 -24.688 1.00100.00 C ATOM 269 CD1 PHE A 20 -8.120 -46.664 -24.714 1.00100.00 C ATOM 270 CD2 PHE A 20 -10.436 -46.393 -24.046 1.00100.00 C ATOM 271 CE1 PHE A 20 -8.093 -47.924 -24.099 1.00100.00 C ATOM 272 CE2 PHE A 20 -10.410 -47.651 -23.434 1.00100.00 C ATOM 273 CZ PHE A 20 -9.240 -48.418 -23.462 1.00100.00 C ATOM 0 H PHE A 20 -9.268 -42.285 -26.157 1.00100.00 H new ATOM 0 HA PHE A 20 -9.597 -43.297 -23.585 1.00100.00 H new ATOM 0 HB2 PHE A 20 -10.338 -44.363 -25.733 1.00100.00 H new ATOM 0 HB3 PHE A 20 -8.668 -44.563 -26.225 1.00100.00 H new ATOM 0 HD1 PHE A 20 -7.237 -46.284 -25.207 1.00100.00 H new ATOM 0 HD2 PHE A 20 -11.340 -45.802 -24.023 1.00100.00 H new ATOM 0 HE1 PHE A 20 -7.188 -48.514 -24.116 1.00100.00 H new ATOM 0 HE2 PHE A 20 -11.293 -48.030 -22.940 1.00100.00 H new ATOM 0 HZ PHE A 20 -9.221 -49.391 -22.993 1.00100.00 H new ATOM 283 N GLU A 21 -6.507 -43.448 -24.822 1.00100.00 N ATOM 284 CA GLU A 21 -5.112 -43.617 -24.512 1.00100.00 C ATOM 285 C GLU A 21 -4.665 -42.578 -23.529 1.00100.00 C ATOM 286 O GLU A 21 -3.873 -42.854 -22.629 1.00100.00 O ATOM 287 CB GLU A 21 -4.218 -43.522 -25.758 1.00100.00 C ATOM 288 CG GLU A 21 -4.629 -44.574 -26.786 1.00100.00 C ATOM 289 CD GLU A 21 -3.751 -44.489 -28.025 1.00100.00 C ATOM 290 OE1 GLU A 21 -3.885 -43.476 -28.747 1.00100.00 O ATOM 291 OE2 GLU A 21 -2.960 -45.436 -28.230 1.00100.00 O ATOM 0 H GLU A 21 -6.673 -43.192 -25.795 1.00100.00 H new ATOM 0 HA GLU A 21 -5.010 -44.616 -24.088 1.00100.00 H new ATOM 0 HB2 GLU A 21 -4.296 -42.527 -26.195 1.00100.00 H new ATOM 0 HB3 GLU A 21 -3.175 -43.666 -25.477 1.00100.00 H new ATOM 0 HG2 GLU A 21 -4.551 -45.568 -26.347 1.00100.00 H new ATOM 0 HG3 GLU A 21 -5.673 -44.429 -27.064 1.00100.00 H new ATOM 298 N GLU A 22 -5.177 -41.344 -23.714 1.00100.00 N ATOM 299 CA GLU A 22 -4.898 -40.197 -22.900 1.00100.00 C ATOM 300 C GLU A 22 -5.530 -40.243 -21.538 1.00100.00 C ATOM 301 O GLU A 22 -5.038 -39.568 -20.634 1.00100.00 O ATOM 302 CB GLU A 22 -5.330 -38.896 -23.603 1.00100.00 C ATOM 303 CG GLU A 22 -4.562 -38.675 -24.904 1.00100.00 C ATOM 304 CD GLU A 22 -3.095 -38.386 -24.623 1.00100.00 C ATOM 305 OE1 GLU A 22 -2.839 -37.352 -23.970 1.00100.00 O ATOM 306 OE2 GLU A 22 -2.260 -39.201 -25.070 1.00100.00 O ATOM 0 H GLU A 22 -5.823 -41.136 -24.476 1.00100.00 H new ATOM 0 HA GLU A 22 -3.817 -40.214 -22.758 1.00100.00 H new ATOM 0 HB2 GLU A 22 -6.399 -38.934 -23.813 1.00100.00 H new ATOM 0 HB3 GLU A 22 -5.166 -38.050 -22.936 1.00100.00 H new ATOM 0 HG2 GLU A 22 -4.649 -39.558 -25.537 1.00100.00 H new ATOM 0 HG3 GLU A 22 -5.002 -37.844 -25.455 1.00100.00 H new ATOM 313 N CYS A 23 -6.545 -41.120 -21.314 1.00100.00 N ATOM 314 CA CYS A 23 -7.272 -41.196 -20.067 1.00100.00 C ATOM 315 C CYS A 23 -6.435 -41.378 -18.823 1.00100.00 C ATOM 316 O CYS A 23 -6.734 -40.650 -17.877 1.00100.00 O ATOM 317 CB CYS A 23 -8.310 -42.319 -20.081 1.00100.00 C ATOM 318 SG CYS A 23 -9.050 -42.611 -18.458 1.00100.00 S ATOM 0 H CYS A 23 -6.866 -41.789 -22.014 1.00100.00 H new ATOM 0 HA CYS A 23 -7.736 -40.212 -20.008 1.00100.00 H new ATOM 0 HB2 CYS A 23 -9.096 -42.072 -20.794 1.00100.00 H new ATOM 0 HB3 CYS A 23 -7.840 -43.238 -20.431 1.00100.00 H new ATOM 0 HG CYS A 23 -10.170 -41.956 -18.367 1.00100.00 H new ATOM 324 N PRO A 24 -5.395 -42.272 -18.722 1.00100.00 N ATOM 325 CA PRO A 24 -4.602 -42.370 -17.517 1.00100.00 C ATOM 326 C PRO A 24 -3.883 -41.087 -17.184 1.00100.00 C ATOM 327 O PRO A 24 -3.639 -40.866 -15.996 1.00100.00 O ATOM 328 CB PRO A 24 -3.661 -43.563 -17.701 1.00100.00 C ATOM 329 CG PRO A 24 -3.569 -43.670 -19.226 1.00100.00 C ATOM 330 CD PRO A 24 -4.950 -43.226 -19.709 1.00100.00 C ATOM 0 HA PRO A 24 -5.244 -42.534 -16.651 1.00100.00 H new ATOM 0 HB2 PRO A 24 -2.686 -43.387 -17.246 1.00100.00 H new ATOM 0 HB3 PRO A 24 -4.063 -44.472 -17.253 1.00100.00 H new ATOM 0 HG2 PRO A 24 -2.782 -43.030 -19.625 1.00100.00 H new ATOM 0 HG3 PRO A 24 -3.343 -44.688 -19.542 1.00100.00 H new ATOM 0 HD2 PRO A 24 -4.897 -42.775 -20.700 1.00100.00 H new ATOM 0 HD3 PRO A 24 -5.635 -44.071 -19.780 1.00100.00 H new ATOM 338 N LYS A 25 -3.525 -40.259 -18.208 1.00100.00 N ATOM 339 CA LYS A 25 -2.863 -38.996 -17.994 1.00100.00 C ATOM 340 C LYS A 25 -3.757 -38.096 -17.217 1.00100.00 C ATOM 341 O LYS A 25 -3.292 -37.475 -16.255 1.00100.00 O ATOM 342 CB LYS A 25 -2.463 -38.224 -19.263 1.00100.00 C ATOM 343 CG LYS A 25 -1.523 -39.084 -20.103 1.00100.00 C ATOM 344 CD LYS A 25 -1.033 -38.276 -21.303 1.00100.00 C ATOM 345 CE LYS A 25 -0.102 -39.125 -22.166 1.00100.00 C ATOM 346 NZ LYS A 25 -0.804 -40.293 -22.720 1.00100.00 N ATOM 0 H LYS A 25 -3.699 -40.473 -19.190 1.00100.00 H new ATOM 0 HA LYS A 25 -1.942 -39.262 -17.475 1.00100.00 H new ATOM 0 HB2 LYS A 25 -3.351 -37.966 -19.840 1.00100.00 H new ATOM 0 HB3 LYS A 25 -1.974 -37.288 -18.994 1.00100.00 H new ATOM 0 HG2 LYS A 25 -0.676 -39.411 -19.500 1.00100.00 H new ATOM 0 HG3 LYS A 25 -2.039 -39.982 -20.442 1.00100.00 H new ATOM 0 HD2 LYS A 25 -1.884 -37.939 -21.896 1.00100.00 H new ATOM 0 HD3 LYS A 25 -0.510 -37.383 -20.960 1.00100.00 H new ATOM 0 HE2 LYS A 25 0.297 -38.519 -22.979 1.00100.00 H new ATOM 0 HE3 LYS A 25 0.748 -39.458 -21.570 1.00100.00 H new ATOM 0 HZ1 LYS A 25 -0.209 -40.745 -23.444 1.00100.00 H new ATOM 0 HZ2 LYS A 25 -1.000 -40.974 -21.958 1.00100.00 H new ATOM 0 HZ3 LYS A 25 -1.700 -39.988 -23.150 1.00100.00 H new ATOM 360 N CYS A 26 -5.057 -38.030 -17.607 1.00100.00 N ATOM 361 CA CYS A 26 -5.913 -37.205 -16.832 1.00100.00 C ATOM 362 C CYS A 26 -7.018 -37.895 -16.149 1.00100.00 C ATOM 363 O CYS A 26 -8.040 -38.289 -16.709 1.00100.00 O ATOM 364 CB CYS A 26 -6.354 -35.868 -17.409 1.00100.00 C ATOM 365 SG CYS A 26 -7.501 -35.059 -16.273 1.00100.00 S ATOM 0 H CYS A 26 -5.478 -38.514 -18.400 1.00100.00 H new ATOM 0 HA CYS A 26 -5.188 -36.921 -16.069 1.00100.00 H new ATOM 0 HB2 CYS A 26 -5.486 -35.231 -17.579 1.00100.00 H new ATOM 0 HB3 CYS A 26 -6.832 -36.019 -18.377 1.00100.00 H new ATOM 0 HG CYS A 26 -8.329 -34.318 -16.947 1.00100.00 H new ATOM 371 N SER A 27 -6.698 -38.057 -14.865 1.00100.00 N ATOM 372 CA SER A 27 -7.467 -38.562 -13.773 1.00100.00 C ATOM 373 C SER A 27 -7.196 -37.439 -12.765 1.00100.00 C ATOM 374 O SER A 27 -7.215 -37.641 -11.550 1.00100.00 O ATOM 375 CB SER A 27 -6.889 -39.896 -13.250 1.00100.00 C ATOM 376 OG SER A 27 -6.943 -40.863 -14.276 1.00100.00 O ATOM 0 H SER A 27 -5.765 -37.796 -14.546 1.00100.00 H new ATOM 0 HA SER A 27 -8.513 -38.776 -13.995 1.00100.00 H new ATOM 0 HB2 SER A 27 -5.859 -39.755 -12.921 1.00100.00 H new ATOM 0 HB3 SER A 27 -7.456 -40.236 -12.384 1.00100.00 H new ATOM 0 HG SER A 27 -6.575 -41.710 -13.947 1.00100.00 H new ATOM 382 N ALA A 28 -6.958 -36.206 -13.296 1.00100.00 N ATOM 383 CA ALA A 28 -6.617 -35.000 -12.624 1.00100.00 C ATOM 384 C ALA A 28 -7.752 -34.407 -11.870 1.00100.00 C ATOM 385 O ALA A 28 -8.914 -34.765 -12.056 1.00100.00 O ATOM 386 CB ALA A 28 -6.026 -33.931 -13.569 1.00100.00 C ATOM 0 H ALA A 28 -7.016 -36.060 -14.304 1.00100.00 H new ATOM 0 HA ALA A 28 -5.850 -35.301 -11.911 1.00100.00 H new ATOM 0 HB1 ALA A 28 -5.786 -33.034 -12.998 1.00100.00 H new ATOM 0 HB2 ALA A 28 -5.120 -34.318 -14.035 1.00100.00 H new ATOM 0 HB3 ALA A 28 -6.755 -33.685 -14.341 1.00100.00 H new ATOM 392 N LEU A 29 -7.385 -33.419 -11.034 1.00100.00 N ATOM 393 CA LEU A 29 -8.232 -32.702 -10.137 1.00100.00 C ATOM 394 C LEU A 29 -9.377 -32.016 -10.808 1.00100.00 C ATOM 395 O LEU A 29 -10.459 -31.989 -10.217 1.00100.00 O ATOM 396 CB LEU A 29 -7.457 -31.602 -9.385 1.00100.00 C ATOM 397 CG LEU A 29 -6.271 -32.180 -8.606 1.00100.00 C ATOM 398 CD1 LEU A 29 -5.519 -31.036 -7.929 1.00100.00 C ATOM 399 CD2 LEU A 29 -6.746 -33.166 -7.539 1.00100.00 C ATOM 0 H LEU A 29 -6.418 -33.099 -10.984 1.00100.00 H new ATOM 0 HA LEU A 29 -8.610 -33.470 -9.462 1.00100.00 H new ATOM 0 HB2 LEU A 29 -7.098 -30.858 -10.096 1.00100.00 H new ATOM 0 HB3 LEU A 29 -8.129 -31.088 -8.698 1.00100.00 H new ATOM 0 HG LEU A 29 -5.620 -32.709 -9.302 1.00100.00 H new ATOM 0 HD11 LEU A 29 -4.672 -31.437 -7.371 1.00100.00 H new ATOM 0 HD12 LEU A 29 -5.158 -30.340 -8.686 1.00100.00 H new ATOM 0 HD13 LEU A 29 -6.189 -30.514 -7.246 1.00100.00 H new ATOM 0 HD21 LEU A 29 -5.885 -33.562 -7.000 1.00100.00 H new ATOM 0 HD22 LEU A 29 -7.408 -32.655 -6.840 1.00100.00 H new ATOM 0 HD23 LEU A 29 -7.284 -33.986 -8.015 1.00100.00 H new ATOM 411 N GLN A 30 -9.225 -31.495 -12.051 1.00100.00 N ATOM 412 CA GLN A 30 -10.315 -30.803 -12.706 1.00100.00 C ATOM 413 C GLN A 30 -11.560 -31.613 -12.980 1.00100.00 C ATOM 414 O GLN A 30 -12.640 -31.170 -12.594 1.00100.00 O ATOM 415 CB GLN A 30 -9.885 -30.200 -14.053 1.00100.00 C ATOM 416 CG GLN A 30 -8.663 -29.298 -13.905 1.00100.00 C ATOM 417 CD GLN A 30 -8.206 -28.796 -15.269 1.00100.00 C ATOM 418 OE1 GLN A 30 -9.030 -28.483 -16.127 1.00100.00 O ATOM 419 NE2 GLN A 30 -6.889 -28.732 -15.474 1.00100.00 N ATOM 0 H GLN A 30 -8.365 -31.550 -12.596 1.00100.00 H new ATOM 0 HA GLN A 30 -10.569 -30.043 -11.967 1.00100.00 H new ATOM 0 HB2 GLN A 30 -9.662 -31.003 -14.756 1.00100.00 H new ATOM 0 HB3 GLN A 30 -10.711 -29.627 -14.475 1.00100.00 H new ATOM 0 HG2 GLN A 30 -8.903 -28.452 -13.261 1.00100.00 H new ATOM 0 HG3 GLN A 30 -7.854 -29.847 -13.422 1.00100.00 H new ATOM 0 HE21 GLN A 30 -6.244 -29.002 -14.732 1.00100.00 H new ATOM 0 HE22 GLN A 30 -6.528 -28.413 -16.373 1.00100.00 H new ATOM 428 N TYR A 31 -11.434 -32.817 -13.605 1.00100.00 N ATOM 429 CA TYR A 31 -12.535 -33.717 -13.953 1.00100.00 C ATOM 430 C TYR A 31 -13.671 -32.997 -14.688 1.00100.00 C ATOM 431 O TYR A 31 -14.847 -33.322 -14.498 1.00100.00 O ATOM 432 CB TYR A 31 -13.186 -34.487 -12.757 1.00100.00 C ATOM 433 CG TYR A 31 -12.212 -35.329 -11.966 1.00100.00 C ATOM 434 CD1 TYR A 31 -11.746 -36.540 -12.496 1.00100.00 C ATOM 435 CD2 TYR A 31 -11.799 -34.910 -10.693 1.00100.00 C ATOM 436 CE1 TYR A 31 -10.873 -37.342 -11.751 1.00100.00 C ATOM 437 CE2 TYR A 31 -10.926 -35.707 -9.941 1.00100.00 C ATOM 438 CZ TYR A 31 -10.462 -36.930 -10.465 1.00100.00 C ATOM 439 OH TYR A 31 -9.619 -37.711 -9.732 1.00100.00 O ATOM 0 H TYR A 31 -10.525 -33.187 -13.884 1.00100.00 H new ATOM 0 HA TYR A 31 -12.037 -34.444 -14.595 1.00100.00 H new ATOM 0 HB2 TYR A 31 -13.656 -33.767 -12.087 1.00100.00 H new ATOM 0 HB3 TYR A 31 -13.979 -35.130 -13.140 1.00100.00 H new ATOM 0 HD1 TYR A 31 -12.061 -36.855 -13.480 1.00100.00 H new ATOM 0 HD2 TYR A 31 -12.154 -33.972 -10.292 1.00100.00 H new ATOM 0 HE1 TYR A 31 -10.514 -38.275 -12.160 1.00100.00 H new ATOM 0 HE2 TYR A 31 -10.609 -35.384 -8.960 1.00100.00 H new ATOM 0 HH TYR A 31 -8.761 -37.794 -10.199 1.00100.00 H new ATOM 449 N ARG A 32 -13.350 -32.032 -15.586 1.00100.00 N ATOM 450 CA ARG A 32 -14.359 -31.244 -16.261 1.00100.00 C ATOM 451 C ARG A 32 -15.366 -31.866 -17.185 1.00100.00 C ATOM 452 O ARG A 32 -16.559 -31.589 -17.030 1.00100.00 O ATOM 453 CB ARG A 32 -13.763 -30.035 -17.005 1.00100.00 C ATOM 454 CG ARG A 32 -13.127 -29.078 -16.002 1.00100.00 C ATOM 455 CD ARG A 32 -12.380 -27.966 -16.731 1.00100.00 C ATOM 456 NE ARG A 32 -11.765 -27.042 -15.778 1.00100.00 N ATOM 457 CZ ARG A 32 -11.084 -25.945 -16.140 1.00100.00 C ATOM 458 NH1 ARG A 32 -10.936 -25.636 -17.436 1.00100.00 N ATOM 459 NH2 ARG A 32 -10.549 -25.155 -15.201 1.00100.00 N ATOM 0 H ARG A 32 -12.392 -31.796 -15.846 1.00100.00 H new ATOM 0 HA ARG A 32 -14.941 -31.000 -15.372 1.00100.00 H new ATOM 0 HB2 ARG A 32 -13.017 -30.371 -17.726 1.00100.00 H new ATOM 0 HB3 ARG A 32 -14.542 -29.522 -17.568 1.00100.00 H new ATOM 0 HG2 ARG A 32 -13.897 -28.648 -15.361 1.00100.00 H new ATOM 0 HG3 ARG A 32 -12.440 -29.623 -15.354 1.00100.00 H new ATOM 0 HD2 ARG A 32 -11.612 -28.398 -17.373 1.00100.00 H new ATOM 0 HD3 ARG A 32 -13.069 -27.423 -17.378 1.00100.00 H new ATOM 0 HE ARG A 32 -11.859 -27.243 -14.783 1.00100.00 H new ATOM 0 HH11 ARG A 32 -11.343 -26.237 -18.153 1.00100.00 H new ATOM 0 HH12 ARG A 32 -10.417 -24.800 -17.705 1.00100.00 H new ATOM 0 HH21 ARG A 32 -10.660 -25.388 -14.214 1.00100.00 H new ATOM 0 HH22 ARG A 32 -10.030 -24.320 -15.472 1.00100.00 H new ATOM 473 N ASN A 33 -14.935 -32.731 -18.132 1.00100.00 N ATOM 474 CA ASN A 33 -15.866 -33.316 -19.065 1.00100.00 C ATOM 475 C ASN A 33 -15.651 -34.794 -19.186 1.00100.00 C ATOM 476 O ASN A 33 -16.424 -35.574 -18.628 1.00100.00 O ATOM 477 CB ASN A 33 -15.786 -32.635 -20.461 1.00100.00 C ATOM 478 CG ASN A 33 -16.785 -33.232 -21.445 1.00100.00 C ATOM 479 OD1 ASN A 33 -17.804 -33.793 -21.046 1.00100.00 O ATOM 480 ND2 ASN A 33 -16.488 -33.109 -22.740 1.00100.00 N ATOM 0 H ASN A 33 -13.965 -33.021 -18.252 1.00100.00 H new ATOM 0 HA ASN A 33 -16.868 -33.146 -18.670 1.00100.00 H new ATOM 0 HB2 ASN A 33 -15.976 -31.567 -20.355 1.00100.00 H new ATOM 0 HB3 ASN A 33 -14.777 -32.742 -20.859 1.00100.00 H new ATOM 0 HD21 ASN A 33 -17.118 -33.489 -23.446 1.00100.00 H new ATOM 0 HD22 ASN A 33 -15.631 -32.635 -23.024 1.00100.00 H new ATOM 487 N GLY A 34 -14.568 -35.201 -19.887 1.00100.00 N ATOM 488 CA GLY A 34 -14.269 -36.589 -20.089 1.00100.00 C ATOM 489 C GLY A 34 -13.001 -36.707 -20.867 1.00100.00 C ATOM 490 O GLY A 34 -12.962 -36.403 -22.052 1.00100.00 O ATOM 0 H GLY A 34 -13.898 -34.562 -20.315 1.00100.00 H new ATOM 0 HA2 GLY A 34 -14.170 -37.096 -19.129 1.00100.00 H new ATOM 0 HA3 GLY A 34 -15.085 -37.076 -20.624 1.00100.00 H new ATOM 494 N PHE A 35 -11.924 -37.213 -20.232 1.00100.00 N ATOM 495 CA PHE A 35 -10.615 -37.343 -20.820 1.00100.00 C ATOM 496 C PHE A 35 -10.595 -38.454 -21.837 1.00100.00 C ATOM 497 O PHE A 35 -9.584 -38.600 -22.514 1.00100.00 O ATOM 498 CB PHE A 35 -9.504 -37.522 -19.767 1.00100.00 C ATOM 499 CG PHE A 35 -8.256 -36.759 -20.150 1.00100.00 C ATOM 500 CD1 PHE A 35 -8.260 -35.361 -20.103 1.00100.00 C ATOM 501 CD2 PHE A 35 -7.096 -37.433 -20.545 1.00100.00 C ATOM 502 CE1 PHE A 35 -7.118 -34.631 -20.451 1.00100.00 C ATOM 503 CE2 PHE A 35 -5.942 -36.706 -20.875 1.00100.00 C ATOM 504 CZ PHE A 35 -5.955 -35.306 -20.839 1.00100.00 C ATOM 0 H PHE A 35 -11.963 -37.546 -19.269 1.00100.00 H new ATOM 0 HA PHE A 35 -10.401 -36.405 -21.332 1.00100.00 H new ATOM 0 HB2 PHE A 35 -9.861 -37.177 -18.797 1.00100.00 H new ATOM 0 HB3 PHE A 35 -9.267 -38.581 -19.661 1.00100.00 H new ATOM 0 HD1 PHE A 35 -9.154 -34.839 -19.795 1.00100.00 H new ATOM 0 HD2 PHE A 35 -7.088 -38.512 -20.596 1.00100.00 H new ATOM 0 HE1 PHE A 35 -7.134 -33.552 -20.420 1.00100.00 H new ATOM 0 HE2 PHE A 35 -5.040 -37.228 -21.158 1.00100.00 H new ATOM 0 HZ PHE A 35 -5.070 -34.749 -21.110 1.00100.00 H new ATOM 514 N TYR A 36 -11.647 -39.311 -21.907 1.00100.00 N ATOM 515 CA TYR A 36 -11.746 -40.316 -22.937 1.00100.00 C ATOM 516 C TYR A 36 -12.682 -39.756 -23.999 1.00100.00 C ATOM 517 O TYR A 36 -12.621 -40.181 -25.151 1.00100.00 O ATOM 518 CB TYR A 36 -12.542 -41.623 -22.657 1.00100.00 C ATOM 519 CG TYR A 36 -12.090 -42.704 -21.698 1.00100.00 C ATOM 520 CD1 TYR A 36 -11.354 -43.801 -22.150 1.00100.00 C ATOM 521 CD2 TYR A 36 -12.632 -42.763 -20.415 1.00100.00 C ATOM 522 CE1 TYR A 36 -10.962 -44.819 -21.271 1.00100.00 C ATOM 523 CE2 TYR A 36 -12.289 -43.786 -19.523 1.00100.00 C ATOM 524 CZ TYR A 36 -11.410 -44.803 -19.938 1.00100.00 C ATOM 525 OH TYR A 36 -11.048 -45.794 -19.075 1.00100.00 O ATOM 0 H TYR A 36 -12.427 -39.306 -21.250 1.00100.00 H new ATOM 0 HA TYR A 36 -10.697 -40.539 -23.132 1.00100.00 H new ATOM 0 HB2 TYR A 36 -13.530 -41.310 -22.319 1.00100.00 H new ATOM 0 HB3 TYR A 36 -12.675 -42.110 -23.623 1.00100.00 H new ATOM 0 HD1 TYR A 36 -11.083 -43.866 -23.193 1.00100.00 H new ATOM 0 HD2 TYR A 36 -13.332 -42.003 -20.102 1.00100.00 H new ATOM 0 HE1 TYR A 36 -10.317 -45.614 -21.616 1.00100.00 H new ATOM 0 HE2 TYR A 36 -12.696 -43.794 -18.523 1.00100.00 H new ATOM 0 HH TYR A 36 -11.446 -45.624 -18.196 1.00100.00 H new ATOM 535 N LEU A 37 -13.493 -38.718 -23.648 1.00100.00 N ATOM 536 CA LEU A 37 -14.536 -38.173 -24.474 1.00100.00 C ATOM 537 C LEU A 37 -14.290 -37.623 -25.814 1.00100.00 C ATOM 538 O LEU A 37 -15.035 -38.040 -26.696 1.00100.00 O ATOM 539 CB LEU A 37 -15.395 -37.144 -23.692 1.00100.00 C ATOM 540 CG LEU A 37 -16.755 -36.857 -24.334 1.00100.00 C ATOM 541 CD1 LEU A 37 -17.768 -36.565 -23.227 1.00100.00 C ATOM 542 CD2 LEU A 37 -16.685 -35.637 -25.253 1.00100.00 C ATOM 0 H LEU A 37 -13.412 -38.244 -22.749 1.00100.00 H new ATOM 0 HA LEU A 37 -15.023 -39.118 -24.713 1.00100.00 H new ATOM 0 HB2 LEU A 37 -15.553 -37.513 -22.679 1.00100.00 H new ATOM 0 HB3 LEU A 37 -14.839 -36.210 -23.608 1.00100.00 H new ATOM 0 HG LEU A 37 -17.049 -37.726 -24.922 1.00100.00 H new ATOM 0 HD11 LEU A 37 -18.742 -36.359 -23.670 1.00100.00 H new ATOM 0 HD12 LEU A 37 -17.845 -37.429 -22.567 1.00100.00 H new ATOM 0 HD13 LEU A 37 -17.440 -35.699 -22.653 1.00100.00 H new ATOM 0 HD21 LEU A 37 -17.665 -35.457 -25.695 1.00100.00 H new ATOM 0 HD22 LEU A 37 -16.382 -34.764 -24.676 1.00100.00 H new ATOM 0 HD23 LEU A 37 -15.958 -35.819 -26.045 1.00100.00 H new ATOM 554 N LEU A 38 -13.293 -36.745 -26.051 1.00100.00 N ATOM 555 CA LEU A 38 -13.168 -36.239 -27.398 1.00100.00 C ATOM 556 C LEU A 38 -12.856 -37.261 -28.442 1.00100.00 C ATOM 557 O LEU A 38 -13.434 -37.203 -29.529 1.00100.00 O ATOM 558 CB LEU A 38 -12.253 -35.024 -27.639 1.00100.00 C ATOM 559 CG LEU A 38 -12.743 -33.765 -26.920 1.00100.00 C ATOM 560 CD1 LEU A 38 -11.779 -32.623 -27.243 1.00100.00 C ATOM 561 CD2 LEU A 38 -14.143 -33.358 -27.385 1.00100.00 C ATOM 0 H LEU A 38 -12.616 -36.402 -25.370 1.00100.00 H new ATOM 0 HA LEU A 38 -14.194 -35.888 -27.509 1.00100.00 H new ATOM 0 HB2 LEU A 38 -11.244 -35.261 -27.301 1.00100.00 H new ATOM 0 HB3 LEU A 38 -12.193 -34.826 -28.709 1.00100.00 H new ATOM 0 HG LEU A 38 -12.782 -33.972 -25.850 1.00100.00 H new ATOM 0 HD11 LEU A 38 -12.110 -31.714 -26.740 1.00100.00 H new ATOM 0 HD12 LEU A 38 -10.778 -32.884 -26.900 1.00100.00 H new ATOM 0 HD13 LEU A 38 -11.761 -32.456 -28.320 1.00100.00 H new ATOM 0 HD21 LEU A 38 -14.457 -32.460 -26.852 1.00100.00 H new ATOM 0 HD22 LEU A 38 -14.127 -33.157 -28.456 1.00100.00 H new ATOM 0 HD23 LEU A 38 -14.844 -34.166 -27.178 1.00100.00 H new ATOM 573 N LYS A 39 -11.967 -38.223 -28.123 1.00100.00 N ATOM 574 CA LYS A 39 -11.599 -39.200 -29.094 1.00100.00 C ATOM 575 C LYS A 39 -11.573 -40.610 -28.583 1.00100.00 C ATOM 576 O LYS A 39 -10.922 -40.929 -27.589 1.00100.00 O ATOM 577 CB LYS A 39 -10.202 -38.849 -29.660 1.00100.00 C ATOM 578 CG LYS A 39 -9.744 -39.835 -30.734 1.00100.00 C ATOM 579 CD LYS A 39 -8.381 -39.383 -31.259 1.00100.00 C ATOM 580 CE LYS A 39 -7.873 -40.348 -32.325 1.00100.00 C ATOM 581 NZ LYS A 39 -6.571 -39.910 -32.853 1.00100.00 N ATOM 0 H LYS A 39 -11.515 -38.321 -27.214 1.00100.00 H new ATOM 0 HA LYS A 39 -12.373 -39.167 -29.861 1.00100.00 H new ATOM 0 HB2 LYS A 39 -10.225 -37.843 -30.080 1.00100.00 H new ATOM 0 HB3 LYS A 39 -9.476 -38.838 -28.847 1.00100.00 H new ATOM 0 HG2 LYS A 39 -9.676 -40.841 -30.320 1.00100.00 H new ATOM 0 HG3 LYS A 39 -10.469 -39.873 -31.547 1.00100.00 H new ATOM 0 HD2 LYS A 39 -8.460 -38.379 -31.677 1.00100.00 H new ATOM 0 HD3 LYS A 39 -7.667 -39.331 -30.437 1.00100.00 H new ATOM 0 HE2 LYS A 39 -7.780 -41.348 -31.901 1.00100.00 H new ATOM 0 HE3 LYS A 39 -8.597 -40.412 -33.138 1.00100.00 H new ATOM 0 HZ1 LYS A 39 -6.246 -40.582 -33.577 1.00100.00 H new ATOM 0 HZ2 LYS A 39 -6.668 -38.965 -33.277 1.00100.00 H new ATOM 0 HZ3 LYS A 39 -5.877 -39.872 -32.079 1.00100.00 H new ATOM 595 N TYR A 40 -12.323 -41.485 -29.277 1.00100.00 N ATOM 596 CA TYR A 40 -12.326 -42.902 -29.012 1.00100.00 C ATOM 597 C TYR A 40 -11.741 -43.558 -30.264 1.00100.00 C ATOM 598 O TYR A 40 -11.515 -44.770 -30.298 1.00100.00 O ATOM 599 CB TYR A 40 -13.719 -43.497 -28.647 1.00100.00 C ATOM 600 CG TYR A 40 -13.663 -44.962 -28.291 1.00100.00 C ATOM 601 CD1 TYR A 40 -12.939 -45.375 -27.163 1.00100.00 C ATOM 602 CD2 TYR A 40 -14.322 -45.906 -29.092 1.00100.00 C ATOM 603 CE1 TYR A 40 -12.863 -46.736 -26.838 1.00100.00 C ATOM 604 CE2 TYR A 40 -14.252 -47.268 -28.773 1.00100.00 C ATOM 605 CZ TYR A 40 -13.518 -47.688 -27.645 1.00100.00 C ATOM 606 OH TYR A 40 -13.445 -49.014 -27.334 1.00100.00 O ATOM 0 H TYR A 40 -12.942 -41.209 -30.039 1.00100.00 H new ATOM 0 HA TYR A 40 -11.734 -43.102 -28.119 1.00100.00 H new ATOM 0 HB2 TYR A 40 -14.136 -42.941 -27.807 1.00100.00 H new ATOM 0 HB3 TYR A 40 -14.398 -43.360 -29.489 1.00100.00 H new ATOM 0 HD1 TYR A 40 -12.440 -44.644 -26.545 1.00100.00 H new ATOM 0 HD2 TYR A 40 -14.884 -45.582 -29.956 1.00100.00 H new ATOM 0 HE1 TYR A 40 -12.304 -47.055 -25.971 1.00100.00 H new ATOM 0 HE2 TYR A 40 -14.759 -47.995 -29.390 1.00100.00 H new ATOM 0 HH TYR A 40 -13.953 -49.533 -27.992 1.00100.00 H new ATOM 616 N ASP A 41 -11.396 -42.741 -31.296 1.00100.00 N ATOM 617 CA ASP A 41 -10.852 -43.145 -32.570 1.00100.00 C ATOM 618 C ASP A 41 -11.776 -44.117 -33.269 1.00100.00 C ATOM 619 O ASP A 41 -11.375 -45.160 -33.792 1.00100.00 O ATOM 620 CB ASP A 41 -9.396 -43.685 -32.458 1.00100.00 C ATOM 621 CG ASP A 41 -8.771 -43.929 -33.827 1.00100.00 C ATOM 622 OD1 ASP A 41 -9.103 -43.162 -34.756 1.00100.00 O ATOM 623 OD2 ASP A 41 -7.967 -44.881 -33.917 1.00100.00 O ATOM 0 H ASP A 41 -11.507 -41.729 -31.231 1.00100.00 H new ATOM 0 HA ASP A 41 -10.785 -42.251 -33.190 1.00100.00 H new ATOM 0 HB2 ASP A 41 -8.786 -42.972 -31.903 1.00100.00 H new ATOM 0 HB3 ASP A 41 -9.397 -44.615 -31.889 1.00100.00 H new ATOM 628 N GLU A 42 -13.077 -43.763 -33.259 1.00100.00 N ATOM 629 CA GLU A 42 -14.094 -44.547 -33.893 1.00100.00 C ATOM 630 C GLU A 42 -14.505 -43.737 -35.090 1.00100.00 C ATOM 631 O GLU A 42 -14.514 -42.505 -35.039 1.00100.00 O ATOM 632 CB GLU A 42 -15.332 -44.772 -33.002 1.00100.00 C ATOM 633 CG GLU A 42 -16.388 -45.652 -33.663 1.00100.00 C ATOM 634 CD GLU A 42 -17.521 -45.938 -32.685 1.00100.00 C ATOM 635 OE1 GLU A 42 -18.302 -44.996 -32.425 1.00100.00 O ATOM 636 OE2 GLU A 42 -17.582 -47.091 -32.205 1.00100.00 O ATOM 0 H GLU A 42 -13.427 -42.920 -32.804 1.00100.00 H new ATOM 0 HA GLU A 42 -13.708 -45.539 -34.129 1.00100.00 H new ATOM 0 HB2 GLU A 42 -15.020 -45.231 -32.064 1.00100.00 H new ATOM 0 HB3 GLU A 42 -15.774 -43.807 -32.753 1.00100.00 H new ATOM 0 HG2 GLU A 42 -16.781 -45.157 -34.551 1.00100.00 H new ATOM 0 HG3 GLU A 42 -15.937 -46.588 -33.993 1.00100.00 H new ATOM 643 N GLU A 43 -14.807 -44.422 -36.221 1.00100.00 N ATOM 644 CA GLU A 43 -15.234 -43.757 -37.427 1.00100.00 C ATOM 645 C GLU A 43 -16.620 -43.236 -37.171 1.00100.00 C ATOM 646 O GLU A 43 -17.493 -43.968 -36.696 1.00100.00 O ATOM 647 CB GLU A 43 -15.265 -44.683 -38.661 1.00100.00 C ATOM 648 CG GLU A 43 -15.736 -43.926 -39.903 1.00100.00 C ATOM 649 CD GLU A 43 -15.651 -44.813 -41.138 1.00100.00 C ATOM 650 OE1 GLU A 43 -16.368 -45.837 -41.155 1.00100.00 O ATOM 651 OE2 GLU A 43 -14.867 -44.454 -42.043 1.00100.00 O ATOM 0 H GLU A 43 -14.755 -45.438 -36.299 1.00100.00 H new ATOM 0 HA GLU A 43 -14.519 -42.967 -37.656 1.00100.00 H new ATOM 0 HB2 GLU A 43 -14.271 -45.094 -38.837 1.00100.00 H new ATOM 0 HB3 GLU A 43 -15.929 -45.526 -38.471 1.00100.00 H new ATOM 0 HG2 GLU A 43 -16.763 -43.588 -39.762 1.00100.00 H new ATOM 0 HG3 GLU A 43 -15.124 -43.035 -40.046 1.00100.00 H new ATOM 658 N TRP A 44 -16.824 -41.938 -37.495 1.00100.00 N ATOM 659 CA TRP A 44 -18.089 -41.297 -37.277 1.00100.00 C ATOM 660 C TRP A 44 -18.737 -40.836 -38.526 1.00100.00 C ATOM 661 O TRP A 44 -18.102 -40.256 -39.410 1.00100.00 O ATOM 662 CB TRP A 44 -18.075 -40.086 -36.317 1.00100.00 C ATOM 663 CG TRP A 44 -17.953 -40.475 -34.882 1.00100.00 C ATOM 664 CD1 TRP A 44 -16.817 -40.521 -34.152 1.00100.00 C ATOM 665 CD2 TRP A 44 -19.017 -40.922 -33.997 1.00100.00 C ATOM 666 NE1 TRP A 44 -17.110 -40.957 -32.875 1.00100.00 N ATOM 667 CE2 TRP A 44 -18.456 -41.225 -32.728 1.00100.00 C ATOM 668 CE3 TRP A 44 -20.402 -41.106 -34.155 1.00100.00 C ATOM 669 CZ2 TRP A 44 -19.234 -41.693 -31.663 1.00100.00 C ATOM 670 CZ3 TRP A 44 -21.189 -41.578 -33.096 1.00100.00 C ATOM 671 CH2 TRP A 44 -20.609 -41.875 -31.857 1.00100.00 C ATOM 0 H TRP A 44 -16.112 -41.335 -37.907 1.00100.00 H new ATOM 0 HA TRP A 44 -18.653 -42.105 -36.811 1.00100.00 H new ATOM 0 HB2 TRP A 44 -17.245 -39.431 -36.581 1.00100.00 H new ATOM 0 HB3 TRP A 44 -18.991 -39.511 -36.454 1.00100.00 H new ATOM 0 HD1 TRP A 44 -15.833 -40.258 -34.511 1.00100.00 H new ATOM 0 HE1 TRP A 44 -16.418 -41.067 -32.133 1.00100.00 H new ATOM 0 HE3 TRP A 44 -20.865 -40.881 -35.104 1.00100.00 H new ATOM 0 HZ2 TRP A 44 -18.781 -41.910 -30.707 1.00100.00 H new ATOM 0 HZ3 TRP A 44 -22.251 -41.714 -33.237 1.00100.00 H new ATOM 0 HH2 TRP A 44 -21.223 -42.245 -31.049 1.00100.00 H new HETATM 682 N PTR A 45 -20.054 -41.134 -38.591 1.00100.00 N HETATM 683 CA PTR A 45 -20.956 -40.799 -39.659 1.00100.00 C HETATM 684 C PTR A 45 -20.532 -41.134 -41.070 1.00100.00 C HETATM 685 O PTR A 45 -20.408 -40.231 -41.904 1.00100.00 O HETATM 686 CB PTR A 45 -21.587 -39.387 -39.526 1.00100.00 C HETATM 687 CG PTR A 45 -22.374 -39.216 -38.248 1.00100.00 C HETATM 688 CD1 PTR A 45 -21.774 -38.624 -37.127 1.00100.00 C HETATM 689 CD2 PTR A 45 -23.700 -39.666 -38.182 1.00100.00 C HETATM 690 CE1 PTR A 45 -22.501 -38.475 -35.938 1.00100.00 C HETATM 691 CE2 PTR A 45 -24.434 -39.521 -36.998 1.00100.00 C HETATM 692 CZ PTR A 45 -23.836 -38.921 -35.870 1.00100.00 C HETATM 693 OH PTR A 45 -24.547 -38.776 -34.715 1.00100.00 O HETATM 694 P PTR A 45 -25.359 -40.092 -34.311 1.00100.00 P HETATM 695 O1P PTR A 45 -24.461 -41.159 -34.129 1.00 0.00 O HETATM 696 O2P PTR A 45 -26.062 -39.862 -33.115 1.00 0.00 O HETATM 697 O3P PTR A 45 -26.268 -40.414 -35.335 1.00 0.00 O HETATM 0 HE2 PTR A 45 -25.465 -39.871 -36.948 1.00100.00 H new HETATM 0 HE1 PTR A 45 -22.034 -38.015 -35.067 1.00100.00 H new HETATM 0 HD2 PTR A 45 -24.161 -40.130 -39.054 1.00100.00 H new HETATM 0 HD1 PTR A 45 -20.741 -38.279 -37.181 1.00100.00 H new HETATM 0 HB3 PTR A 45 -20.798 -38.636 -39.565 1.00100.00 H new HETATM 0 HB2 PTR A 45 -22.242 -39.205 -40.378 1.00100.00 H new HETATM 0 HA PTR A 45 -21.754 -41.523 -39.492 1.00100.00 H new ATOM 706 N PRO A 46 -20.259 -42.443 -41.380 1.00100.00 N ATOM 707 CA PRO A 46 -19.864 -42.864 -42.700 1.00100.00 C ATOM 708 C PRO A 46 -21.115 -42.854 -43.541 1.00100.00 C ATOM 709 O PRO A 46 -21.849 -43.843 -43.611 1.00100.00 O ATOM 710 CB PRO A 46 -19.210 -44.233 -42.508 1.00100.00 C ATOM 711 CG PRO A 46 -19.981 -44.792 -41.311 1.00100.00 C ATOM 712 CD PRO A 46 -20.241 -43.554 -40.452 1.00100.00 C ATOM 0 HA PRO A 46 -19.144 -42.229 -43.215 1.00100.00 H new ATOM 0 HB2 PRO A 46 -19.316 -44.863 -43.391 1.00100.00 H new ATOM 0 HB3 PRO A 46 -18.143 -44.150 -42.302 1.00100.00 H new ATOM 0 HG2 PRO A 46 -20.911 -45.271 -41.619 1.00100.00 H new ATOM 0 HG3 PRO A 46 -19.400 -45.541 -40.772 1.00100.00 H new ATOM 0 HD2 PRO A 46 -21.188 -43.637 -39.919 1.00100.00 H new ATOM 0 HD3 PRO A 46 -19.462 -43.426 -39.700 1.00100.00 H new ATOM 720 N GLU A 47 -21.348 -41.696 -44.195 1.00100.00 N ATOM 721 CA GLU A 47 -22.497 -41.431 -45.017 1.00100.00 C ATOM 722 C GLU A 47 -22.592 -42.389 -46.160 1.00100.00 C ATOM 723 O GLU A 47 -23.685 -42.881 -46.437 1.00100.00 O ATOM 724 CB GLU A 47 -22.480 -40.007 -45.600 1.00100.00 C ATOM 725 CG GLU A 47 -22.512 -38.979 -44.472 1.00100.00 C ATOM 726 CD GLU A 47 -22.525 -37.564 -45.030 1.00100.00 C ATOM 727 OE1 GLU A 47 -23.642 -37.055 -45.266 1.00100.00 O ATOM 728 OE2 GLU A 47 -21.416 -37.016 -45.213 1.00100.00 O ATOM 0 H GLU A 47 -20.704 -40.906 -44.149 1.00100.00 H new ATOM 0 HA GLU A 47 -23.358 -41.546 -44.358 1.00100.00 H new ATOM 0 HB2 GLU A 47 -21.586 -39.865 -46.207 1.00100.00 H new ATOM 0 HB3 GLU A 47 -23.338 -39.864 -46.257 1.00100.00 H new ATOM 0 HG2 GLU A 47 -23.395 -39.139 -43.853 1.00100.00 H new ATOM 0 HG3 GLU A 47 -21.643 -39.113 -43.828 1.00100.00 H new ATOM 735 N GLU A 48 -21.443 -42.707 -46.808 1.00100.00 N ATOM 736 CA GLU A 48 -21.399 -43.615 -47.924 1.00100.00 C ATOM 737 C GLU A 48 -21.874 -44.982 -47.524 1.00100.00 C ATOM 738 O GLU A 48 -22.682 -45.573 -48.239 1.00100.00 O ATOM 739 CB GLU A 48 -19.984 -43.829 -48.492 1.00100.00 C ATOM 740 CG GLU A 48 -19.432 -42.539 -49.093 1.00100.00 C ATOM 741 CD GLU A 48 -18.088 -42.796 -49.762 1.00100.00 C ATOM 742 OE1 GLU A 48 -18.109 -43.164 -50.957 1.00100.00 O ATOM 743 OE2 GLU A 48 -17.063 -42.630 -49.066 1.00100.00 O ATOM 0 H GLU A 48 -20.532 -42.327 -46.551 1.00100.00 H new ATOM 0 HA GLU A 48 -22.037 -43.148 -48.674 1.00100.00 H new ATOM 0 HB2 GLU A 48 -19.320 -44.178 -47.701 1.00100.00 H new ATOM 0 HB3 GLU A 48 -20.009 -44.608 -49.254 1.00100.00 H new ATOM 0 HG2 GLU A 48 -20.137 -42.139 -49.822 1.00100.00 H new ATOM 0 HG3 GLU A 48 -19.319 -41.786 -48.313 1.00100.00 H new ATOM 750 N LEU A 49 -21.398 -45.488 -46.356 1.00100.00 N ATOM 751 CA LEU A 49 -21.769 -46.789 -45.858 1.00100.00 C ATOM 752 C LEU A 49 -23.225 -46.873 -45.505 1.00100.00 C ATOM 753 O LEU A 49 -23.869 -47.876 -45.810 1.00100.00 O ATOM 754 CB LEU A 49 -20.933 -47.258 -44.648 1.00100.00 C ATOM 755 CG LEU A 49 -19.434 -47.246 -44.966 1.00100.00 C ATOM 756 CD1 LEU A 49 -18.661 -47.715 -43.734 1.00100.00 C ATOM 757 CD2 LEU A 49 -19.102 -48.166 -46.141 1.00100.00 C ATOM 0 H LEU A 49 -20.748 -44.986 -45.752 1.00100.00 H new ATOM 0 HA LEU A 49 -21.557 -47.460 -46.691 1.00100.00 H new ATOM 0 HB2 LEU A 49 -21.131 -46.610 -43.794 1.00100.00 H new ATOM 0 HB3 LEU A 49 -21.238 -48.265 -44.361 1.00100.00 H new ATOM 0 HG LEU A 49 -19.151 -46.229 -45.238 1.00100.00 H new ATOM 0 HD11 LEU A 49 -17.593 -47.710 -43.951 1.00100.00 H new ATOM 0 HD12 LEU A 49 -18.865 -47.044 -42.899 1.00100.00 H new ATOM 0 HD13 LEU A 49 -18.973 -48.726 -43.472 1.00100.00 H new ATOM 0 HD21 LEU A 49 -18.031 -48.132 -46.338 1.00100.00 H new ATOM 0 HD22 LEU A 49 -19.394 -49.187 -45.897 1.00100.00 H new ATOM 0 HD23 LEU A 49 -19.644 -47.835 -47.027 1.00100.00 H new ATOM 769 N LEU A 50 -23.769 -45.809 -44.864 1.00100.00 N ATOM 770 CA LEU A 50 -25.157 -45.744 -44.472 1.00100.00 C ATOM 771 C LEU A 50 -26.074 -45.774 -45.663 1.00100.00 C ATOM 772 O LEU A 50 -27.080 -46.485 -45.649 1.00100.00 O ATOM 773 CB LEU A 50 -25.488 -44.487 -43.638 1.00100.00 C ATOM 774 CG LEU A 50 -24.768 -44.506 -42.285 1.00100.00 C ATOM 775 CD1 LEU A 50 -24.918 -43.141 -41.615 1.00100.00 C ATOM 776 CD2 LEU A 50 -25.357 -45.579 -41.370 1.00100.00 C ATOM 0 H LEU A 50 -23.234 -44.977 -44.613 1.00100.00 H new ATOM 0 HA LEU A 50 -25.319 -46.627 -43.854 1.00100.00 H new ATOM 0 HB2 LEU A 50 -25.199 -43.594 -44.193 1.00100.00 H new ATOM 0 HB3 LEU A 50 -26.565 -44.428 -43.478 1.00100.00 H new ATOM 0 HG LEU A 50 -23.715 -44.731 -42.456 1.00100.00 H new ATOM 0 HD11 LEU A 50 -24.407 -43.150 -40.652 1.00100.00 H new ATOM 0 HD12 LEU A 50 -24.479 -42.373 -42.252 1.00100.00 H new ATOM 0 HD13 LEU A 50 -25.975 -42.925 -41.463 1.00100.00 H new ATOM 0 HD21 LEU A 50 -24.830 -45.573 -40.416 1.00100.00 H new ATOM 0 HD22 LEU A 50 -26.414 -45.373 -41.202 1.00100.00 H new ATOM 0 HD23 LEU A 50 -25.248 -46.557 -41.839 1.00100.00 H new HETATM 788 N TPO A 51 -25.718 -45.021 -46.730 1.00100.00 N HETATM 789 CA TPO A 51 -26.491 -44.932 -47.944 1.00100.00 C HETATM 790 CB TPO A 51 -26.038 -43.756 -48.788 1.00100.00 C HETATM 791 CG2 TPO A 51 -24.846 -44.144 -49.661 1.00100.00 C HETATM 792 OG1 TPO A 51 -27.100 -43.338 -49.616 1.00100.00 O HETATM 793 P TPO A 51 -28.330 -42.915 -48.688 1.00100.00 P HETATM 794 O1P TPO A 51 -27.939 -41.863 -47.841 1.00 0.00 O HETATM 795 O2P TPO A 51 -29.403 -42.493 -49.494 1.00 0.00 O HETATM 796 O3P TPO A 51 -28.732 -44.017 -47.912 1.00 0.00 O HETATM 797 C TPO A 51 -26.330 -46.227 -48.711 1.00100.00 C HETATM 798 O TPO A 51 -25.229 -46.779 -48.782 1.00100.00 O HETATM 0 HG23 TPO A 51 -24.018 -44.461 -49.027 1.00100.00 H new HETATM 0 HG22 TPO A 51 -25.130 -44.962 -50.322 1.00100.00 H new HETATM 0 HG21 TPO A 51 -24.538 -43.286 -50.258 1.00100.00 H new HETATM 0 HB TPO A 51 -25.738 -42.946 -48.123 1.00100.00 H new HETATM 0 HA TPO A 51 -27.541 -44.774 -47.697 1.00100.00 H new HETATM 0 H TPO A 51 -24.982 -44.340 -46.543 1.00100.00 H new ATOM 805 N ASP A 52 -27.444 -46.746 -49.285 1.00100.00 N ATOM 806 CA ASP A 52 -27.413 -47.971 -50.048 1.00100.00 C ATOM 807 C ASP A 52 -26.691 -47.763 -51.345 1.00100.00 C ATOM 808 O ASP A 52 -26.897 -46.764 -52.039 1.00100.00 O ATOM 809 CB ASP A 52 -28.804 -48.584 -50.337 1.00100.00 C ATOM 810 CG ASP A 52 -29.558 -48.845 -49.040 1.00100.00 C ATOM 811 OD1 ASP A 52 -28.938 -49.440 -48.132 1.00100.00 O ATOM 812 OD2 ASP A 52 -30.739 -48.439 -48.978 1.00100.00 O ATOM 0 H ASP A 52 -28.367 -46.317 -49.220 1.00100.00 H new ATOM 0 HA ASP A 52 -26.884 -48.684 -49.416 1.00100.00 H new ATOM 0 HB2 ASP A 52 -29.380 -47.908 -50.969 1.00100.00 H new ATOM 0 HB3 ASP A 52 -28.688 -49.516 -50.890 1.00100.00 H new ATOM 817 N GLY A 53 -25.806 -48.727 -51.671 1.00100.00 N ATOM 818 CA GLY A 53 -25.009 -48.686 -52.869 1.00100.00 C ATOM 819 C GLY A 53 -23.965 -49.761 -52.809 1.00100.00 C ATOM 820 O GLY A 53 -24.081 -50.724 -52.047 1.00100.00 O ATOM 0 H GLY A 53 -25.639 -49.551 -51.094 1.00100.00 H new ATOM 0 HA2 GLY A 53 -25.642 -48.827 -53.745 1.00100.00 H new ATOM 0 HA3 GLY A 53 -24.536 -47.709 -52.971 1.00100.00 H new ATOM 824 N GLU A 54 -22.920 -49.611 -53.656 1.00100.00 N ATOM 825 CA GLU A 54 -21.812 -50.533 -53.751 1.00100.00 C ATOM 826 C GLU A 54 -20.995 -50.544 -52.492 1.00100.00 C ATOM 827 O GLU A 54 -20.888 -49.539 -51.787 1.00100.00 O ATOM 828 CB GLU A 54 -20.860 -50.270 -54.932 1.00100.00 C ATOM 829 CG GLU A 54 -21.558 -50.223 -56.292 1.00100.00 C ATOM 830 CD GLU A 54 -22.232 -48.882 -56.568 1.00100.00 C ATOM 831 OE1 GLU A 54 -21.971 -47.928 -55.805 1.00100.00 O ATOM 832 OE2 GLU A 54 -22.989 -48.833 -57.561 1.00100.00 O ATOM 0 H GLU A 54 -22.841 -48.822 -54.297 1.00100.00 H new ATOM 0 HA GLU A 54 -22.289 -51.499 -53.917 1.00100.00 H new ATOM 0 HB2 GLU A 54 -20.344 -49.324 -54.766 1.00100.00 H new ATOM 0 HB3 GLU A 54 -20.098 -51.049 -54.952 1.00100.00 H new ATOM 0 HG2 GLU A 54 -20.829 -50.425 -57.076 1.00100.00 H new ATOM 0 HG3 GLU A 54 -22.305 -51.016 -56.339 1.00100.00 H new ATOM 839 N ASP A 55 -20.425 -51.730 -52.186 1.00100.00 N ATOM 840 CA ASP A 55 -19.630 -51.967 -51.010 1.00100.00 C ATOM 841 C ASP A 55 -18.377 -51.153 -50.941 1.00100.00 C ATOM 842 O ASP A 55 -18.059 -50.633 -49.870 1.00100.00 O ATOM 843 CB ASP A 55 -19.264 -53.456 -50.829 1.00100.00 C ATOM 844 CG ASP A 55 -20.511 -54.331 -50.817 1.00100.00 C ATOM 845 OD1 ASP A 55 -21.489 -53.922 -50.154 1.00100.00 O ATOM 846 OD2 ASP A 55 -20.465 -55.392 -51.475 1.00100.00 O ATOM 0 H ASP A 55 -20.521 -52.555 -52.779 1.00100.00 H new ATOM 0 HA ASP A 55 -20.281 -51.649 -50.196 1.00100.00 H new ATOM 0 HB2 ASP A 55 -18.603 -53.772 -51.636 1.00100.00 H new ATOM 0 HB3 ASP A 55 -18.715 -53.588 -49.897 1.00100.00 H new ATOM 851 N ASP A 56 -17.651 -51.009 -52.076 1.00100.00 N ATOM 852 CA ASP A 56 -16.422 -50.245 -52.087 1.00100.00 C ATOM 853 C ASP A 56 -16.485 -49.210 -53.174 1.00100.00 C ATOM 854 O ASP A 56 -17.272 -49.320 -54.113 1.00100.00 O ATOM 855 CB ASP A 56 -15.142 -51.089 -52.332 1.00100.00 C ATOM 856 CG ASP A 56 -14.946 -52.104 -51.213 1.00100.00 C ATOM 857 OD1 ASP A 56 -14.750 -51.649 -50.064 1.00100.00 O ATOM 858 OD2 ASP A 56 -14.998 -53.313 -51.524 1.00100.00 O ATOM 0 H ASP A 56 -17.908 -51.414 -52.976 1.00100.00 H new ATOM 0 HA ASP A 56 -16.346 -49.809 -51.091 1.00100.00 H new ATOM 0 HB2 ASP A 56 -15.218 -51.605 -53.289 1.00100.00 H new ATOM 0 HB3 ASP A 56 -14.273 -50.433 -52.392 1.00100.00 H new ATOM 863 N VAL A 57 -15.646 -48.152 -53.036 1.00100.00 N ATOM 864 CA VAL A 57 -15.524 -47.033 -53.956 1.00100.00 C ATOM 865 C VAL A 57 -15.028 -47.530 -55.296 1.00100.00 C ATOM 866 O VAL A 57 -15.495 -47.081 -56.343 1.00100.00 O ATOM 867 CB VAL A 57 -14.605 -45.941 -53.405 1.00100.00 C ATOM 868 CG1 VAL A 57 -14.467 -44.801 -54.414 1.00100.00 C ATOM 869 CG2 VAL A 57 -15.190 -45.381 -52.106 1.00100.00 C ATOM 0 H VAL A 57 -15.015 -48.069 -52.239 1.00100.00 H new ATOM 0 HA VAL A 57 -16.509 -46.584 -54.081 1.00100.00 H new ATOM 0 HB VAL A 57 -13.624 -46.378 -53.216 1.00100.00 H new ATOM 0 HG11 VAL A 57 -13.810 -44.032 -54.007 1.00100.00 H new ATOM 0 HG12 VAL A 57 -14.044 -45.186 -55.342 1.00100.00 H new ATOM 0 HG13 VAL A 57 -15.449 -44.371 -54.614 1.00100.00 H new ATOM 0 HG21 VAL A 57 -14.533 -44.604 -51.716 1.00100.00 H new ATOM 0 HG22 VAL A 57 -16.175 -44.958 -52.303 1.00100.00 H new ATOM 0 HG23 VAL A 57 -15.279 -46.182 -51.372 1.00100.00 H new ATOM 879 N PHE A 58 -14.060 -48.470 -55.273 1.00100.00 N ATOM 880 CA PHE A 58 -13.465 -49.077 -56.433 1.00100.00 C ATOM 881 C PHE A 58 -14.410 -49.938 -57.224 1.00100.00 C ATOM 882 O PHE A 58 -14.235 -50.066 -58.436 1.00100.00 O ATOM 883 CB PHE A 58 -12.229 -49.927 -56.076 1.00100.00 C ATOM 884 CG PHE A 58 -11.177 -49.145 -55.327 1.00100.00 C ATOM 885 CD1 PHE A 58 -11.278 -48.989 -53.938 1.00100.00 C ATOM 886 CD2 PHE A 58 -10.109 -48.560 -56.022 1.00100.00 C ATOM 887 CE1 PHE A 58 -10.313 -48.246 -53.243 1.00100.00 C ATOM 888 CE2 PHE A 58 -9.144 -47.819 -55.327 1.00100.00 C ATOM 889 CZ PHE A 58 -9.247 -47.660 -53.939 1.00100.00 C ATOM 0 H PHE A 58 -13.671 -48.826 -54.400 1.00100.00 H new ATOM 0 HA PHE A 58 -13.174 -48.228 -57.052 1.00100.00 H new ATOM 0 HB2 PHE A 58 -12.542 -50.778 -55.471 1.00100.00 H new ATOM 0 HB3 PHE A 58 -11.794 -50.329 -56.991 1.00100.00 H new ATOM 0 HD1 PHE A 58 -12.100 -49.441 -53.402 1.00100.00 H new ATOM 0 HD2 PHE A 58 -10.030 -48.680 -57.092 1.00100.00 H new ATOM 0 HE1 PHE A 58 -10.391 -48.125 -52.173 1.00100.00 H new ATOM 0 HE2 PHE A 58 -8.320 -47.370 -55.862 1.00100.00 H new ATOM 0 HZ PHE A 58 -8.505 -47.086 -53.405 1.00100.00 H new ATOM 899 N ASP A 59 -15.443 -50.514 -56.560 1.00100.00 N ATOM 900 CA ASP A 59 -16.385 -51.413 -57.184 1.00100.00 C ATOM 901 C ASP A 59 -17.190 -50.876 -58.351 1.00100.00 C ATOM 902 O ASP A 59 -17.217 -51.587 -59.359 1.00100.00 O ATOM 903 CB ASP A 59 -17.362 -52.045 -56.156 1.00100.00 C ATOM 904 CG ASP A 59 -16.646 -52.949 -55.161 1.00100.00 C ATOM 905 OD1 ASP A 59 -15.514 -53.377 -55.479 1.00100.00 O ATOM 906 OD2 ASP A 59 -17.254 -53.210 -54.100 1.00100.00 O ATOM 0 H ASP A 59 -15.628 -50.352 -55.570 1.00100.00 H new ATOM 0 HA ASP A 59 -15.718 -52.162 -57.610 1.00100.00 H new ATOM 0 HB2 ASP A 59 -17.881 -51.253 -55.616 1.00100.00 H new ATOM 0 HB3 ASP A 59 -18.121 -52.620 -56.685 1.00100.00 H new ATOM 911 N PRO A 60 -17.838 -49.661 -58.324 1.00100.00 N ATOM 912 CA PRO A 60 -18.585 -49.171 -59.459 1.00100.00 C ATOM 913 C PRO A 60 -17.709 -48.862 -60.628 1.00100.00 C ATOM 914 O PRO A 60 -16.673 -48.215 -60.447 1.00100.00 O ATOM 915 CB PRO A 60 -19.390 -47.967 -58.969 1.00100.00 C ATOM 916 CG PRO A 60 -18.578 -47.498 -57.758 1.00100.00 C ATOM 917 CD PRO A 60 -18.014 -48.797 -57.181 1.00100.00 C ATOM 0 HA PRO A 60 -19.261 -49.938 -59.837 1.00100.00 H new ATOM 0 HB2 PRO A 60 -19.466 -47.192 -59.732 1.00100.00 H new ATOM 0 HB3 PRO A 60 -20.408 -48.244 -58.693 1.00100.00 H new ATOM 0 HG2 PRO A 60 -17.784 -46.810 -58.049 1.00100.00 H new ATOM 0 HG3 PRO A 60 -19.203 -46.975 -57.034 1.00100.00 H new ATOM 0 HD2 PRO A 60 -17.069 -48.624 -56.666 1.00100.00 H new ATOM 0 HD3 PRO A 60 -18.697 -49.237 -56.454 1.00100.00 H new ATOM 925 N ASP A 61 -18.146 -49.321 -61.824 1.00100.00 N ATOM 926 CA ASP A 61 -17.477 -49.144 -63.089 1.00100.00 C ATOM 927 C ASP A 61 -16.027 -49.547 -63.053 1.00100.00 C ATOM 928 O ASP A 61 -15.145 -48.820 -63.522 1.00100.00 O ATOM 929 CB ASP A 61 -17.691 -47.749 -63.739 1.00100.00 C ATOM 930 CG ASP A 61 -19.175 -47.452 -63.912 1.00100.00 C ATOM 931 OD1 ASP A 61 -19.809 -48.176 -64.710 1.00100.00 O ATOM 932 OD2 ASP A 61 -19.650 -46.509 -63.242 1.00100.00 O ATOM 0 H ASP A 61 -19.016 -49.846 -61.913 1.00100.00 H new ATOM 0 HA ASP A 61 -17.977 -49.846 -63.757 1.00100.00 H new ATOM 0 HB2 ASP A 61 -17.232 -46.980 -63.118 1.00100.00 H new ATOM 0 HB3 ASP A 61 -17.194 -47.715 -64.708 1.00100.00 H new ATOM 937 N LEU A 62 -15.760 -50.731 -62.456 1.00100.00 N ATOM 938 CA LEU A 62 -14.425 -51.246 -62.350 1.00100.00 C ATOM 939 C LEU A 62 -14.215 -51.984 -63.641 1.00100.00 C ATOM 940 O LEU A 62 -14.968 -52.905 -63.974 1.00100.00 O ATOM 941 CB LEU A 62 -14.248 -52.234 -61.171 1.00100.00 C ATOM 942 CG LEU A 62 -12.811 -52.752 -61.075 1.00100.00 C ATOM 943 CD1 LEU A 62 -11.842 -51.619 -60.738 1.00100.00 C ATOM 944 CD2 LEU A 62 -12.737 -53.808 -59.972 1.00100.00 C ATOM 0 H LEU A 62 -16.474 -51.332 -62.046 1.00100.00 H new ATOM 0 HA LEU A 62 -13.716 -50.438 -62.170 1.00100.00 H new ATOM 0 HB2 LEU A 62 -14.519 -51.739 -60.238 1.00100.00 H new ATOM 0 HB3 LEU A 62 -14.930 -53.075 -61.296 1.00100.00 H new ATOM 0 HG LEU A 62 -12.530 -53.178 -62.038 1.00100.00 H new ATOM 0 HD11 LEU A 62 -10.828 -52.014 -60.676 1.00100.00 H new ATOM 0 HD12 LEU A 62 -11.888 -50.858 -61.517 1.00100.00 H new ATOM 0 HD13 LEU A 62 -12.118 -51.176 -59.781 1.00100.00 H new ATOM 0 HD21 LEU A 62 -11.717 -54.184 -59.896 1.00100.00 H new ATOM 0 HD22 LEU A 62 -13.032 -53.363 -59.022 1.00100.00 H new ATOM 0 HD23 LEU A 62 -13.410 -54.632 -60.211 1.00100.00 H new ATOM 956 N ASP A 63 -13.181 -51.560 -64.399 1.00100.00 N ATOM 957 CA ASP A 63 -12.870 -52.166 -65.659 1.00100.00 C ATOM 958 C ASP A 63 -11.673 -53.015 -65.397 1.00100.00 C ATOM 959 O ASP A 63 -10.648 -52.547 -64.888 1.00100.00 O ATOM 960 CB ASP A 63 -12.534 -51.151 -66.779 1.00100.00 C ATOM 961 CG ASP A 63 -13.704 -50.214 -67.055 1.00100.00 C ATOM 962 OD1 ASP A 63 -14.854 -50.641 -66.813 1.00100.00 O ATOM 963 OD2 ASP A 63 -13.426 -49.083 -67.509 1.00100.00 O ATOM 0 H ASP A 63 -12.560 -50.795 -64.136 1.00100.00 H new ATOM 0 HA ASP A 63 -13.739 -52.717 -66.018 1.00100.00 H new ATOM 0 HB2 ASP A 63 -11.659 -50.567 -66.492 1.00100.00 H new ATOM 0 HB3 ASP A 63 -12.274 -51.688 -67.691 1.00100.00 H new ATOM 968 N MET A 64 -11.814 -54.312 -65.729 1.00100.00 N ATOM 969 CA MET A 64 -10.763 -55.261 -65.526 1.00100.00 C ATOM 970 C MET A 64 -10.331 -55.733 -66.879 1.00100.00 C ATOM 971 O MET A 64 -11.157 -55.946 -67.771 1.00100.00 O ATOM 972 CB MET A 64 -11.216 -56.471 -64.678 1.00100.00 C ATOM 973 CG MET A 64 -10.038 -57.407 -64.409 1.00100.00 C ATOM 974 SD MET A 64 -8.591 -56.612 -63.657 1.00100.00 S ATOM 975 CE MET A 64 -9.381 -55.772 -62.261 1.00100.00 C ATOM 0 H MET A 64 -12.661 -54.705 -66.140 1.00100.00 H new ATOM 0 HA MET A 64 -9.950 -54.783 -64.979 1.00100.00 H new ATOM 0 HB2 MET A 64 -11.636 -56.124 -63.734 1.00100.00 H new ATOM 0 HB3 MET A 64 -12.006 -57.012 -65.198 1.00100.00 H new ATOM 0 HG2 MET A 64 -10.374 -58.212 -63.755 1.00100.00 H new ATOM 0 HG3 MET A 64 -9.735 -57.866 -65.350 1.00100.00 H new ATOM 0 HE1 MET A 64 -8.616 -55.411 -61.573 1.00100.00 H new ATOM 0 HE2 MET A 64 -9.966 -54.929 -62.628 1.00100.00 H new ATOM 0 HE3 MET A 64 -10.037 -56.470 -61.741 1.00100.00 H new ATOM 985 N GLU A 65 -8.997 -55.692 -67.094 1.00100.00 N ATOM 986 CA GLU A 65 -8.376 -56.108 -68.321 1.00100.00 C ATOM 987 C GLU A 65 -7.868 -57.495 -68.060 1.00100.00 C ATOM 988 O GLU A 65 -7.072 -57.717 -67.142 1.00100.00 O ATOM 989 CB GLU A 65 -7.182 -55.214 -68.728 1.00100.00 C ATOM 990 CG GLU A 65 -7.667 -53.791 -68.994 1.00100.00 C ATOM 991 CD GLU A 65 -6.508 -52.894 -69.407 1.00100.00 C ATOM 992 OE1 GLU A 65 -6.221 -52.861 -70.624 1.00100.00 O ATOM 993 OE2 GLU A 65 -5.928 -52.261 -68.498 1.00100.00 O ATOM 0 H GLU A 65 -8.333 -55.360 -66.395 1.00100.00 H new ATOM 0 HA GLU A 65 -9.098 -56.047 -69.135 1.00100.00 H new ATOM 0 HB2 GLU A 65 -6.433 -55.210 -67.937 1.00100.00 H new ATOM 0 HB3 GLU A 65 -6.702 -55.617 -69.620 1.00100.00 H new ATOM 0 HG2 GLU A 65 -8.423 -53.800 -69.779 1.00100.00 H new ATOM 0 HG3 GLU A 65 -8.142 -53.390 -68.098 1.00100.00 H new ATOM 1000 N VAL A 66 -8.349 -58.466 -68.869 1.00100.00 N ATOM 1001 CA VAL A 66 -7.970 -59.847 -68.718 1.00100.00 C ATOM 1002 C VAL A 66 -7.203 -60.234 -69.958 1.00100.00 C ATOM 1003 O VAL A 66 -7.667 -60.044 -71.084 1.00100.00 O ATOM 1004 CB VAL A 66 -9.175 -60.772 -68.526 1.00100.00 C ATOM 1005 CG1 VAL A 66 -8.726 -62.228 -68.418 1.00100.00 C ATOM 1006 CG2 VAL A 66 -9.916 -60.376 -67.248 1.00100.00 C ATOM 0 H VAL A 66 -9.004 -58.294 -69.632 1.00100.00 H new ATOM 0 HA VAL A 66 -7.363 -59.957 -67.820 1.00100.00 H new ATOM 0 HB VAL A 66 -9.834 -60.672 -69.389 1.00100.00 H new ATOM 0 HG11 VAL A 66 -9.598 -62.868 -68.282 1.00100.00 H new ATOM 0 HG12 VAL A 66 -8.203 -62.516 -69.330 1.00100.00 H new ATOM 0 HG13 VAL A 66 -8.057 -62.340 -67.565 1.00100.00 H new ATOM 0 HG21 VAL A 66 -10.775 -61.032 -67.107 1.00100.00 H new ATOM 0 HG22 VAL A 66 -9.245 -60.469 -66.394 1.00100.00 H new ATOM 0 HG23 VAL A 66 -10.257 -59.344 -67.330 1.00100.00 H new ATOM 1016 N VAL A 67 -5.975 -60.762 -69.741 1.00100.00 N ATOM 1017 CA VAL A 67 -5.076 -61.216 -70.776 1.00100.00 C ATOM 1018 C VAL A 67 -5.491 -62.510 -71.437 1.00100.00 C ATOM 1019 O VAL A 67 -5.085 -62.767 -72.571 1.00100.00 O ATOM 1020 CB VAL A 67 -3.620 -61.318 -70.338 1.00100.00 C ATOM 1021 CG1 VAL A 67 -3.120 -59.947 -69.882 1.00100.00 C ATOM 1022 CG2 VAL A 67 -3.469 -62.320 -69.194 1.00100.00 C ATOM 0 H VAL A 67 -5.590 -60.878 -68.803 1.00100.00 H new ATOM 0 HA VAL A 67 -5.152 -60.420 -71.517 1.00100.00 H new ATOM 0 HB VAL A 67 -3.028 -61.662 -71.186 1.00100.00 H new ATOM 0 HG11 VAL A 67 -2.079 -60.025 -69.570 1.00100.00 H new ATOM 0 HG12 VAL A 67 -3.200 -59.238 -70.706 1.00100.00 H new ATOM 0 HG13 VAL A 67 -3.725 -59.599 -69.045 1.00100.00 H new ATOM 0 HG21 VAL A 67 -2.422 -62.378 -68.897 1.00100.00 H new ATOM 0 HG22 VAL A 67 -4.070 -61.996 -68.345 1.00100.00 H new ATOM 0 HG23 VAL A 67 -3.807 -63.302 -69.524 1.00100.00 H new ATOM 1032 N PHE A 68 -6.316 -63.343 -70.740 1.00100.00 N ATOM 1033 CA PHE A 68 -6.796 -64.647 -71.169 1.00100.00 C ATOM 1034 C PHE A 68 -5.638 -65.572 -71.462 1.00100.00 C ATOM 1035 O PHE A 68 -5.672 -66.385 -72.390 1.00100.00 O ATOM 1036 CB PHE A 68 -7.790 -64.640 -72.375 1.00100.00 C ATOM 1037 CG PHE A 68 -9.004 -63.772 -72.138 1.00100.00 C ATOM 1038 CD1 PHE A 68 -10.093 -64.274 -71.414 1.00100.00 C ATOM 1039 CD2 PHE A 68 -9.034 -62.460 -72.630 1.00100.00 C ATOM 1040 CE1 PHE A 68 -11.215 -63.466 -71.186 1.00100.00 C ATOM 1041 CE2 PHE A 68 -10.156 -61.652 -72.402 1.00100.00 C ATOM 1042 CZ PHE A 68 -11.247 -62.155 -71.680 1.00100.00 C ATOM 0 H PHE A 68 -6.670 -63.089 -69.818 1.00100.00 H new ATOM 0 HA PHE A 68 -7.377 -65.012 -70.322 1.00100.00 H new ATOM 0 HB2 PHE A 68 -7.269 -64.290 -73.266 1.00100.00 H new ATOM 0 HB3 PHE A 68 -8.114 -65.661 -72.577 1.00100.00 H new ATOM 0 HD1 PHE A 68 -10.068 -65.284 -71.032 1.00100.00 H new ATOM 0 HD2 PHE A 68 -8.193 -62.072 -73.185 1.00100.00 H new ATOM 0 HE1 PHE A 68 -12.055 -63.854 -70.629 1.00100.00 H new ATOM 0 HE2 PHE A 68 -10.180 -60.642 -72.783 1.00100.00 H new ATOM 0 HZ PHE A 68 -12.112 -61.532 -71.504 1.00100.00 H new ATOM 1052 N GLU A 69 -4.578 -65.458 -70.619 1.00100.00 N ATOM 1053 CA GLU A 69 -3.344 -66.205 -70.680 1.00100.00 C ATOM 1054 C GLU A 69 -2.678 -66.110 -72.034 1.00100.00 C ATOM 1055 O GLU A 69 -2.102 -67.076 -72.539 1.00100.00 O ATOM 1056 CB GLU A 69 -3.482 -67.672 -70.200 1.00100.00 C ATOM 1057 CG GLU A 69 -4.017 -67.710 -68.770 1.00100.00 C ATOM 1058 CD GLU A 69 -4.148 -69.146 -68.284 1.00100.00 C ATOM 1059 OE1 GLU A 69 -3.152 -69.648 -67.719 1.00100.00 O ATOM 1060 OE2 GLU A 69 -5.241 -69.717 -68.488 1.00100.00 O ATOM 0 H GLU A 69 -4.587 -64.797 -69.842 1.00100.00 H new ATOM 0 HA GLU A 69 -2.680 -65.722 -69.963 1.00100.00 H new ATOM 0 HB2 GLU A 69 -4.154 -68.217 -70.862 1.00100.00 H new ATOM 0 HB3 GLU A 69 -2.514 -68.171 -70.247 1.00100.00 H new ATOM 0 HG2 GLU A 69 -3.348 -67.157 -68.111 1.00100.00 H new ATOM 0 HG3 GLU A 69 -4.987 -67.216 -68.726 1.00100.00 H new ATOM 1067 N THR A 70 -2.739 -64.900 -72.637 1.00100.00 N ATOM 1068 CA THR A 70 -2.146 -64.640 -73.918 1.00100.00 C ATOM 1069 C THR A 70 -1.015 -63.726 -73.557 1.00100.00 C ATOM 1070 O THR A 70 -1.210 -62.697 -72.897 1.00100.00 O ATOM 1071 CB THR A 70 -3.070 -63.912 -74.877 1.00100.00 C ATOM 1072 OG1 THR A 70 -4.234 -64.683 -75.081 1.00100.00 O ATOM 1073 CG2 THR A 70 -2.370 -63.683 -76.215 1.00100.00 C ATOM 0 H THR A 70 -3.207 -64.092 -72.227 1.00100.00 H new ATOM 0 HA THR A 70 -1.874 -65.564 -74.428 1.00100.00 H new ATOM 0 HB THR A 70 -3.337 -62.946 -74.448 1.00100.00 H new ATOM 0 HG1 THR A 70 -4.833 -64.214 -75.699 1.00100.00 H new ATOM 0 HG21 THR A 70 -3.044 -63.160 -76.893 1.00100.00 H new ATOM 0 HG22 THR A 70 -1.474 -63.082 -76.059 1.00100.00 H new ATOM 0 HG23 THR A 70 -2.092 -64.643 -76.649 1.00100.00 H new ATOM 1081 N GLN A 71 0.201 -64.131 -73.973 1.00100.00 N ATOM 1082 CA GLN A 71 1.390 -63.381 -73.723 1.00100.00 C ATOM 1083 C GLN A 71 1.897 -63.002 -75.118 1.00100.00 C ATOM 1084 O GLN A 71 1.567 -61.868 -75.553 1.00100.00 O ATOM 1085 CB GLN A 71 2.458 -64.199 -72.958 1.00100.00 C ATOM 1086 CG GLN A 71 3.734 -63.381 -72.774 1.00100.00 C ATOM 1087 CD GLN A 71 4.749 -64.153 -71.941 1.00100.00 C ATOM 1088 OE1 GLN A 71 4.657 -64.178 -70.716 1.00100.00 O ATOM 1089 NE2 GLN A 71 5.719 -64.782 -72.607 1.00100.00 N ATOM 1090 OXT GLN A 71 2.600 -63.846 -75.716 1.00100.00 O ATOM 0 H GLN A 71 0.358 -64.995 -74.492 1.00100.00 H new ATOM 0 HA GLN A 71 1.188 -62.517 -73.090 1.00100.00 H new ATOM 0 HB2 GLN A 71 2.067 -64.497 -71.985 1.00100.00 H new ATOM 0 HB3 GLN A 71 2.683 -65.115 -73.505 1.00100.00 H new ATOM 0 HG2 GLN A 71 4.162 -63.140 -73.747 1.00100.00 H new ATOM 0 HG3 GLN A 71 3.499 -62.435 -72.286 1.00100.00 H new ATOM 0 HE21 GLN A 71 5.754 -64.732 -73.625 1.00100.00 H new ATOM 0 HE22 GLN A 71 6.426 -65.313 -72.098 1.00100.00 H new TER 1099 GLN A 71 HETATM 1100 ZN ZN A 101 -11.214 -42.726 -14.472 1.00 73.25 ZN