USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=20 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 166:sc= 0.681! USER MOD Set 1.2: A 23 CYS SG : rot 97:sc= -0.0944! 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 USER MOD Set 2.2: A 33 ASN : amide:sc=-0.00966 X(o=-0.0097,f=-0.0097) USER MOD Set 3.1: A 16 HIS : no HD1:sc= -1.35 X(o=-4.4,f=-4.8!) USER MOD Set 3.2: A 26 CYS SG : rot -149:sc= -3.03! USER MOD Set 4.1: A 7 THR OG1 : rot -11:sc= 1.09 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= -0.198 (180deg=-0.942) USER MOD Set 5.2: A 9 MET CE :methyl -129:sc= -0.064 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00061 USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0541 USER MOD Single : A 5 MET CE :methyl -141:sc= -0.0889 (180deg=-0.532) USER MOD Single : A 11 GLN : amide:sc= 0.0843 K(o=0.084,f=-0.88) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 169:sc= 0.0693 (180deg=-0.0552) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0356 K(o=-0.036,f=-2.4!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 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= -0.0254 (180deg=-0.33) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN :FLIP amide:sc= -0.344 F(o=-1.6!,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.153 -46.307 -23.399 1.00100.00 N ATOM 2 CA GLY A 1 -26.751 -45.359 -22.443 1.00100.00 C ATOM 3 C GLY A 1 -27.923 -44.719 -23.097 1.00100.00 C ATOM 4 O GLY A 1 -27.794 -44.106 -24.158 1.00100.00 O ATOM 0 H1 GLY A 1 -25.167 -46.497 -23.129 1.00100.00 H new ATOM 0 H2 GLY A 1 -26.692 -47.196 -23.389 1.00100.00 H new ATOM 0 H3 GLY A 1 -26.178 -45.898 -24.355 1.00100.00 H new ATOM 0 HA2 GLY A 1 -27.058 -45.878 -21.535 1.00100.00 H new ATOM 0 HA3 GLY A 1 -26.021 -44.605 -22.148 1.00100.00 H new ATOM 10 N SER A 2 -29.117 -45.081 -22.579 1.00100.00 N ATOM 11 CA SER A 2 -30.388 -44.577 -23.045 1.00100.00 C ATOM 12 C SER A 2 -30.459 -43.088 -22.832 1.00100.00 C ATOM 13 O SER A 2 -30.895 -42.349 -23.715 1.00100.00 O ATOM 14 CB SER A 2 -31.568 -45.281 -22.338 1.00100.00 C ATOM 15 OG SER A 2 -31.491 -45.079 -20.943 1.00100.00 O ATOM 0 H SER A 2 -29.205 -45.746 -21.811 1.00100.00 H new ATOM 0 HA SER A 2 -30.468 -44.790 -24.111 1.00100.00 H new ATOM 0 HB2 SER A 2 -32.513 -44.892 -22.717 1.00100.00 H new ATOM 0 HB3 SER A 2 -31.550 -46.348 -22.560 1.00100.00 H new ATOM 0 HG SER A 2 -32.244 -45.528 -20.505 1.00100.00 H new ATOM 21 N THR A 3 -30.006 -42.635 -21.640 1.00100.00 N ATOM 22 CA THR A 3 -29.962 -41.248 -21.268 1.00100.00 C ATOM 23 C THR A 3 -28.694 -40.643 -21.834 1.00100.00 C ATOM 24 O THR A 3 -27.805 -41.363 -22.303 1.00100.00 O ATOM 25 CB THR A 3 -30.106 -41.037 -19.763 1.00100.00 C ATOM 26 OG1 THR A 3 -30.240 -39.662 -19.478 1.00100.00 O ATOM 27 CG2 THR A 3 -28.881 -41.586 -19.033 1.00100.00 C ATOM 0 H THR A 3 -29.659 -43.258 -20.911 1.00100.00 H new ATOM 0 HA THR A 3 -30.822 -40.732 -21.695 1.00100.00 H new ATOM 0 HB THR A 3 -30.996 -41.567 -19.423 1.00100.00 H new ATOM 0 HG1 THR A 3 -30.334 -39.536 -18.511 1.00100.00 H new ATOM 0 HG21 THR A 3 -28.996 -41.429 -17.960 1.00100.00 H new ATOM 0 HG22 THR A 3 -28.784 -42.653 -19.236 1.00100.00 H new ATOM 0 HG23 THR A 3 -27.987 -41.068 -19.381 1.00100.00 H new ATOM 35 N ALA A 4 -28.600 -39.292 -21.819 1.00100.00 N ATOM 36 CA ALA A 4 -27.437 -38.630 -22.338 1.00100.00 C ATOM 37 C ALA A 4 -26.406 -38.640 -21.258 1.00100.00 C ATOM 38 O ALA A 4 -26.574 -38.036 -20.194 1.00100.00 O ATOM 39 CB ALA A 4 -27.680 -37.171 -22.771 1.00100.00 C ATOM 0 H ALA A 4 -29.319 -38.669 -21.453 1.00100.00 H new ATOM 0 HA ALA A 4 -27.127 -39.165 -23.236 1.00100.00 H new ATOM 0 HB1 ALA A 4 -26.751 -36.745 -23.151 1.00100.00 H new ATOM 0 HB2 ALA A 4 -28.438 -37.145 -23.554 1.00100.00 H new ATOM 0 HB3 ALA A 4 -28.023 -36.590 -21.915 1.00100.00 H new ATOM 45 N MET A 5 -25.310 -39.376 -21.535 1.00100.00 N ATOM 46 CA MET A 5 -24.217 -39.500 -20.620 1.00100.00 C ATOM 47 C MET A 5 -23.198 -38.598 -21.231 1.00100.00 C ATOM 48 O MET A 5 -22.677 -38.887 -22.309 1.00100.00 O ATOM 49 CB MET A 5 -23.622 -40.928 -20.577 1.00100.00 C ATOM 50 CG MET A 5 -24.669 -41.927 -20.087 1.00100.00 C ATOM 51 SD MET A 5 -25.327 -41.580 -18.436 1.00100.00 S ATOM 52 CE MET A 5 -23.791 -41.662 -17.478 1.00100.00 C ATOM 0 H MET A 5 -25.183 -39.891 -22.406 1.00100.00 H new ATOM 0 HA MET A 5 -24.521 -39.269 -19.599 1.00100.00 H new ATOM 0 HB2 MET A 5 -23.274 -41.214 -21.570 1.00100.00 H new ATOM 0 HB3 MET A 5 -22.755 -40.948 -19.917 1.00100.00 H new ATOM 0 HG2 MET A 5 -25.496 -41.944 -20.797 1.00100.00 H new ATOM 0 HG3 MET A 5 -24.228 -42.924 -20.086 1.00100.00 H new ATOM 0 HE1 MET A 5 -23.984 -42.150 -16.523 1.00100.00 H new ATOM 0 HE2 MET A 5 -23.046 -42.232 -18.033 1.00100.00 H new ATOM 0 HE3 MET A 5 -23.418 -40.653 -17.301 1.00100.00 H new ATOM 62 N ALA A 6 -22.978 -37.429 -20.578 1.00100.00 N ATOM 63 CA ALA A 6 -22.059 -36.396 -21.002 1.00100.00 C ATOM 64 C ALA A 6 -22.284 -35.993 -22.440 1.00100.00 C ATOM 65 O ALA A 6 -21.350 -35.909 -23.243 1.00100.00 O ATOM 66 CB ALA A 6 -20.564 -36.694 -20.730 1.00100.00 C ATOM 0 H ALA A 6 -23.464 -37.192 -19.713 1.00100.00 H new ATOM 0 HA ALA A 6 -22.299 -35.548 -20.361 1.00100.00 H new ATOM 0 HB1 ALA A 6 -19.957 -35.861 -21.083 1.00100.00 H new ATOM 0 HB2 ALA A 6 -20.409 -36.828 -19.659 1.00100.00 H new ATOM 0 HB3 ALA A 6 -20.273 -37.604 -21.255 1.00100.00 H new ATOM 72 N THR A 7 -23.580 -35.776 -22.779 1.00100.00 N ATOM 73 CA THR A 7 -24.112 -35.381 -24.063 1.00100.00 C ATOM 74 C THR A 7 -24.077 -36.436 -25.133 1.00100.00 C ATOM 75 O THR A 7 -25.132 -36.735 -25.697 1.00100.00 O ATOM 76 CB THR A 7 -23.662 -34.033 -24.629 1.00100.00 C ATOM 77 OG1 THR A 7 -22.293 -34.064 -24.968 1.00100.00 O ATOM 78 CG2 THR A 7 -23.903 -32.930 -23.600 1.00100.00 C ATOM 0 H THR A 7 -24.323 -35.888 -22.089 1.00100.00 H new ATOM 0 HA THR A 7 -25.152 -35.238 -23.770 1.00100.00 H new ATOM 0 HB THR A 7 -24.243 -33.830 -25.529 1.00100.00 H new ATOM 0 HG1 THR A 7 -21.885 -34.878 -24.606 1.00100.00 H new ATOM 0 HG21 THR A 7 -23.580 -31.973 -24.010 1.00100.00 H new ATOM 0 HG22 THR A 7 -24.965 -32.882 -23.360 1.00100.00 H new ATOM 0 HG23 THR A 7 -23.336 -33.147 -22.695 1.00100.00 H new ATOM 86 N THR A 8 -22.897 -37.045 -25.416 1.00100.00 N ATOM 87 CA THR A 8 -22.813 -38.036 -26.461 1.00100.00 C ATOM 88 C THR A 8 -22.410 -39.366 -25.870 1.00100.00 C ATOM 89 O THR A 8 -21.571 -39.445 -24.971 1.00100.00 O ATOM 90 CB THR A 8 -21.841 -37.630 -27.548 1.00100.00 C ATOM 91 OG1 THR A 8 -22.212 -36.361 -28.044 1.00100.00 O ATOM 92 CG2 THR A 8 -21.873 -38.634 -28.698 1.00100.00 C ATOM 0 H THR A 8 -22.019 -36.856 -24.932 1.00100.00 H new ATOM 0 HA THR A 8 -23.797 -38.122 -26.921 1.00100.00 H new ATOM 0 HB THR A 8 -20.835 -37.601 -27.128 1.00100.00 H new ATOM 0 HG1 THR A 8 -21.586 -36.089 -28.748 1.00100.00 H new ATOM 0 HG21 THR A 8 -21.168 -38.326 -29.470 1.00100.00 H new ATOM 0 HG22 THR A 8 -21.596 -39.621 -28.327 1.00100.00 H new ATOM 0 HG23 THR A 8 -22.878 -38.673 -29.119 1.00100.00 H new ATOM 100 N MET A 9 -23.042 -40.442 -26.394 1.00100.00 N ATOM 101 CA MET A 9 -22.832 -41.805 -25.984 1.00100.00 C ATOM 102 C MET A 9 -21.971 -42.586 -26.955 1.00100.00 C ATOM 103 O MET A 9 -21.633 -42.105 -28.039 1.00100.00 O ATOM 104 CB MET A 9 -24.188 -42.533 -25.744 1.00100.00 C ATOM 105 CG MET A 9 -24.012 -43.865 -25.016 1.00100.00 C ATOM 106 SD MET A 9 -23.258 -43.713 -23.377 1.00100.00 S ATOM 107 CE MET A 9 -22.774 -45.439 -23.135 1.00100.00 C ATOM 0 H MET A 9 -23.733 -40.356 -27.140 1.00100.00 H new ATOM 0 HA MET A 9 -22.285 -41.762 -25.042 1.00100.00 H new ATOM 0 HB2 MET A 9 -24.846 -41.888 -25.162 1.00100.00 H new ATOM 0 HB3 MET A 9 -24.678 -42.707 -26.702 1.00100.00 H new ATOM 0 HG2 MET A 9 -24.986 -44.343 -24.914 1.00100.00 H new ATOM 0 HG3 MET A 9 -23.396 -44.524 -25.628 1.00100.00 H new ATOM 0 HE1 MET A 9 -23.138 -45.787 -22.168 1.00100.00 H new ATOM 0 HE2 MET A 9 -23.205 -46.052 -23.927 1.00100.00 H new ATOM 0 HE3 MET A 9 -21.687 -45.520 -23.164 1.00100.00 H new ATOM 117 N GLU A 10 -21.322 -43.634 -26.382 1.00100.00 N ATOM 118 CA GLU A 10 -20.433 -44.616 -26.972 1.00100.00 C ATOM 119 C GLU A 10 -19.035 -44.162 -27.236 1.00100.00 C ATOM 120 O GLU A 10 -18.183 -44.974 -27.601 1.00100.00 O ATOM 121 CB GLU A 10 -20.992 -45.322 -28.234 1.00100.00 C ATOM 122 CG GLU A 10 -22.335 -45.981 -27.924 1.00100.00 C ATOM 123 CD GLU A 10 -22.861 -46.724 -29.143 1.00100.00 C ATOM 124 OE1 GLU A 10 -23.478 -46.050 -29.995 1.00100.00 O ATOM 125 OE2 GLU A 10 -22.635 -47.952 -29.202 1.00100.00 O ATOM 0 H GLU A 10 -21.436 -43.812 -25.384 1.00100.00 H new ATOM 0 HA GLU A 10 -20.381 -45.345 -26.163 1.00100.00 H new ATOM 0 HB2 GLU A 10 -21.112 -44.598 -29.040 1.00100.00 H new ATOM 0 HB3 GLU A 10 -20.283 -46.073 -28.583 1.00100.00 H new ATOM 0 HG2 GLU A 10 -22.222 -46.674 -27.090 1.00100.00 H new ATOM 0 HG3 GLU A 10 -23.055 -45.224 -27.614 1.00100.00 H new ATOM 132 N GLN A 11 -18.754 -42.866 -27.004 1.00100.00 N ATOM 133 CA GLN A 11 -17.438 -42.341 -27.188 1.00100.00 C ATOM 134 C GLN A 11 -16.662 -42.285 -25.884 1.00100.00 C ATOM 135 O GLN A 11 -15.532 -41.809 -25.859 1.00100.00 O ATOM 136 CB GLN A 11 -17.445 -41.094 -28.107 1.00100.00 C ATOM 137 CG GLN A 11 -18.305 -39.946 -27.594 1.00100.00 C ATOM 138 CD GLN A 11 -18.304 -38.813 -28.614 1.00100.00 C ATOM 139 OE1 GLN A 11 -18.857 -38.962 -29.700 1.00100.00 O ATOM 140 NE2 GLN A 11 -17.672 -37.687 -28.276 1.00100.00 N ATOM 0 H GLN A 11 -19.441 -42.181 -26.688 1.00100.00 H new ATOM 0 HA GLN A 11 -16.830 -43.037 -27.766 1.00100.00 H new ATOM 0 HB2 GLN A 11 -16.421 -40.740 -28.229 1.00100.00 H new ATOM 0 HB3 GLN A 11 -17.801 -41.386 -29.095 1.00100.00 H new ATOM 0 HG2 GLN A 11 -19.324 -40.291 -27.419 1.00100.00 H new ATOM 0 HG3 GLN A 11 -17.921 -39.589 -26.638 1.00100.00 H new ATOM 0 HE21 GLN A 11 -17.226 -37.607 -27.362 1.00100.00 H new ATOM 0 HE22 GLN A 11 -17.635 -36.906 -28.932 1.00100.00 H new ATOM 149 N GLU A 12 -17.266 -42.807 -24.778 1.00100.00 N ATOM 150 CA GLU A 12 -16.743 -42.935 -23.425 1.00100.00 C ATOM 151 C GLU A 12 -16.509 -41.654 -22.671 1.00100.00 C ATOM 152 O GLU A 12 -16.662 -40.591 -23.258 1.00100.00 O ATOM 153 CB GLU A 12 -15.616 -43.967 -23.256 1.00100.00 C ATOM 154 CG GLU A 12 -16.098 -45.362 -23.643 1.00100.00 C ATOM 155 CD GLU A 12 -15.052 -46.427 -23.333 1.00100.00 C ATOM 156 OE1 GLU A 12 -13.970 -46.050 -22.834 1.00100.00 O ATOM 157 OE2 GLU A 12 -15.359 -47.610 -23.598 1.00100.00 O ATOM 0 H GLU A 12 -18.215 -43.176 -24.838 1.00100.00 H new ATOM 0 HA GLU A 12 -17.600 -43.369 -22.910 1.00100.00 H new ATOM 0 HB2 GLU A 12 -14.764 -43.687 -23.875 1.00100.00 H new ATOM 0 HB3 GLU A 12 -15.271 -43.970 -22.222 1.00100.00 H new ATOM 0 HG2 GLU A 12 -17.019 -45.590 -23.107 1.00100.00 H new ATOM 0 HG3 GLU A 12 -16.334 -45.383 -24.707 1.00100.00 H new ATOM 164 N ILE A 13 -16.218 -41.696 -21.332 1.00100.00 N ATOM 165 CA ILE A 13 -16.020 -40.467 -20.573 1.00100.00 C ATOM 166 C ILE A 13 -14.921 -40.671 -19.533 1.00100.00 C ATOM 167 O ILE A 13 -15.003 -41.623 -18.751 1.00100.00 O ATOM 168 CB ILE A 13 -17.257 -40.139 -19.716 1.00100.00 C ATOM 169 CG1 ILE A 13 -18.506 -40.048 -20.602 1.00100.00 C ATOM 170 CG2 ILE A 13 -17.034 -38.803 -18.997 1.00100.00 C ATOM 171 CD1 ILE A 13 -19.783 -39.926 -19.769 1.00100.00 C ATOM 0 H ILE A 13 -16.122 -42.555 -20.790 1.00100.00 H new ATOM 0 HA ILE A 13 -15.797 -39.689 -21.303 1.00100.00 H new ATOM 0 HB ILE A 13 -17.405 -40.931 -18.982 1.00100.00 H new ATOM 0 HG12 ILE A 13 -18.420 -39.187 -21.265 1.00100.00 H new ATOM 0 HG13 ILE A 13 -18.568 -40.933 -21.236 1.00100.00 H new ATOM 0 HG21 ILE A 13 -17.907 -38.567 -18.389 1.00100.00 H new ATOM 0 HG22 ILE A 13 -16.155 -38.877 -18.356 1.00100.00 H new ATOM 0 HG23 ILE A 13 -16.881 -38.014 -19.734 1.00100.00 H new ATOM 0 HD11 ILE A 13 -20.646 -39.864 -20.432 1.00100.00 H new ATOM 0 HD12 ILE A 13 -19.882 -40.800 -19.125 1.00100.00 H new ATOM 0 HD13 ILE A 13 -19.732 -39.027 -19.155 1.00100.00 H new ATOM 183 N CYS A 14 -13.879 -39.790 -19.495 1.00100.00 N ATOM 184 CA CYS A 14 -12.824 -39.848 -18.495 1.00100.00 C ATOM 185 C CYS A 14 -12.712 -38.476 -17.831 1.00100.00 C ATOM 186 O CYS A 14 -13.682 -38.035 -17.214 1.00100.00 O ATOM 187 CB CYS A 14 -11.449 -40.363 -18.974 1.00100.00 C ATOM 188 SG CYS A 14 -10.286 -40.305 -17.581 1.00100.00 S ATOM 0 H CYS A 14 -13.767 -39.029 -20.165 1.00100.00 H new ATOM 0 HA CYS A 14 -13.126 -40.614 -17.781 1.00100.00 H new ATOM 0 HB2 CYS A 14 -11.538 -41.382 -19.350 1.00100.00 H new ATOM 0 HB3 CYS A 14 -11.082 -39.750 -19.798 1.00100.00 H new ATOM 0 HG CYS A 14 -9.227 -41.001 -17.871 1.00100.00 H new ATOM 194 N ALA A 15 -11.552 -37.754 -17.956 1.00100.00 N ATOM 195 CA ALA A 15 -11.328 -36.451 -17.383 1.00100.00 C ATOM 196 C ALA A 15 -11.569 -35.273 -18.308 1.00100.00 C ATOM 197 O ALA A 15 -12.555 -34.580 -18.077 1.00100.00 O ATOM 198 CB ALA A 15 -9.918 -36.304 -16.794 1.00100.00 C ATOM 0 H ALA A 15 -10.747 -38.101 -18.478 1.00100.00 H new ATOM 0 HA ALA A 15 -12.086 -36.411 -16.601 1.00100.00 H new ATOM 0 HB1 ALA A 15 -9.801 -35.304 -16.375 1.00100.00 H new ATOM 0 HB2 ALA A 15 -9.773 -37.046 -16.009 1.00100.00 H new ATOM 0 HB3 ALA A 15 -9.178 -36.457 -17.579 1.00100.00 H new ATOM 204 N HIS A 16 -10.727 -34.973 -19.356 1.00100.00 N ATOM 205 CA HIS A 16 -11.037 -33.837 -20.221 1.00100.00 C ATOM 206 C HIS A 16 -10.816 -33.831 -21.725 1.00100.00 C ATOM 207 O HIS A 16 -9.749 -33.488 -22.231 1.00100.00 O ATOM 208 CB HIS A 16 -10.594 -32.443 -19.682 1.00100.00 C ATOM 209 CG HIS A 16 -9.119 -32.263 -19.462 1.00100.00 C ATOM 210 ND1 HIS A 16 -8.446 -32.509 -18.287 1.00100.00 N ATOM 211 CD2 HIS A 16 -8.236 -31.691 -20.338 1.00100.00 C ATOM 212 CE1 HIS A 16 -7.178 -32.092 -18.463 1.00100.00 C ATOM 213 NE2 HIS A 16 -7.001 -31.587 -19.694 1.00100.00 N ATOM 0 H HIS A 16 -9.878 -35.487 -19.593 1.00100.00 H new ATOM 0 HA HIS A 16 -12.105 -34.038 -20.135 1.00100.00 H new ATOM 0 HB2 HIS A 16 -10.933 -31.680 -20.382 1.00100.00 H new ATOM 0 HB3 HIS A 16 -11.107 -32.260 -18.738 1.00100.00 H new ATOM 0 HD2 HIS A 16 -8.455 -31.376 -21.348 1.00100.00 H new ATOM 0 HE1 HIS A 16 -6.404 -32.156 -17.712 1.00100.00 H new ATOM 0 HE2 HIS A 16 -6.138 -31.204 -20.081 1.00100.00 H new ATOM 221 N SER A 17 -11.876 -34.191 -22.476 1.00100.00 N ATOM 222 CA SER A 17 -11.962 -34.200 -23.916 1.00100.00 C ATOM 223 C SER A 17 -10.926 -34.868 -24.804 1.00100.00 C ATOM 224 O SER A 17 -10.419 -34.224 -25.729 1.00100.00 O ATOM 225 CB SER A 17 -12.302 -32.769 -24.409 1.00100.00 C ATOM 226 OG SER A 17 -13.519 -32.343 -23.840 1.00100.00 O ATOM 0 H SER A 17 -12.746 -34.502 -22.044 1.00100.00 H new ATOM 0 HA SER A 17 -12.751 -34.938 -24.061 1.00100.00 H new ATOM 0 HB2 SER A 17 -11.502 -32.081 -24.136 1.00100.00 H new ATOM 0 HB3 SER A 17 -12.375 -32.757 -25.496 1.00100.00 H new ATOM 0 HG SER A 17 -13.728 -31.438 -24.153 1.00100.00 H new ATOM 232 N MET A 18 -10.572 -36.162 -24.563 1.00100.00 N ATOM 233 CA MET A 18 -9.599 -36.812 -25.425 1.00100.00 C ATOM 234 C MET A 18 -9.860 -38.159 -26.050 1.00100.00 C ATOM 235 O MET A 18 -10.695 -38.232 -26.939 1.00100.00 O ATOM 236 CB MET A 18 -8.113 -36.725 -25.003 1.00100.00 C ATOM 237 CG MET A 18 -7.416 -35.449 -25.478 1.00100.00 C ATOM 238 SD MET A 18 -7.813 -33.930 -24.581 1.00100.00 S ATOM 239 CE MET A 18 -6.804 -32.775 -25.542 1.00100.00 C ATOM 0 H MET A 18 -10.940 -36.738 -23.806 1.00100.00 H new ATOM 0 HA MET A 18 -9.810 -36.113 -26.234 1.00100.00 H new ATOM 0 HB2 MET A 18 -8.049 -36.781 -23.916 1.00100.00 H new ATOM 0 HB3 MET A 18 -7.580 -37.589 -25.399 1.00100.00 H new ATOM 0 HG2 MET A 18 -6.339 -35.607 -25.421 1.00100.00 H new ATOM 0 HG3 MET A 18 -7.661 -35.298 -26.529 1.00100.00 H new ATOM 0 HE1 MET A 18 -6.916 -31.769 -25.137 1.00100.00 H new ATOM 0 HE2 MET A 18 -5.757 -33.074 -25.487 1.00100.00 H new ATOM 0 HE3 MET A 18 -7.130 -32.785 -26.582 1.00100.00 H new ATOM 249 N THR A 19 -9.095 -39.229 -25.694 1.00100.00 N ATOM 250 CA THR A 19 -9.214 -40.538 -26.297 1.00100.00 C ATOM 251 C THR A 19 -9.047 -41.608 -25.248 1.00100.00 C ATOM 252 O THR A 19 -8.539 -41.355 -24.155 1.00100.00 O ATOM 253 CB THR A 19 -8.137 -40.740 -27.378 1.00100.00 C ATOM 254 OG1 THR A 19 -8.126 -39.610 -28.223 1.00100.00 O ATOM 255 CG2 THR A 19 -8.370 -41.979 -28.242 1.00100.00 C ATOM 0 H THR A 19 -8.378 -39.180 -24.970 1.00100.00 H new ATOM 0 HA THR A 19 -10.202 -40.609 -26.751 1.00100.00 H new ATOM 0 HB THR A 19 -7.188 -40.876 -26.859 1.00100.00 H new ATOM 0 HG1 THR A 19 -7.442 -39.726 -28.916 1.00100.00 H new ATOM 0 HG21 THR A 19 -7.575 -42.061 -28.983 1.00100.00 H new ATOM 0 HG22 THR A 19 -8.371 -42.868 -27.611 1.00100.00 H new ATOM 0 HG23 THR A 19 -9.331 -41.893 -28.749 1.00100.00 H new ATOM 263 N PHE A 20 -9.466 -42.856 -25.568 1.00100.00 N ATOM 264 CA PHE A 20 -9.377 -44.009 -24.702 1.00100.00 C ATOM 265 C PHE A 20 -7.930 -44.256 -24.332 1.00100.00 C ATOM 266 O PHE A 20 -7.615 -44.457 -23.159 1.00100.00 O ATOM 267 CB PHE A 20 -9.923 -45.248 -25.466 1.00100.00 C ATOM 268 CG PHE A 20 -9.853 -46.536 -24.679 1.00100.00 C ATOM 269 CD1 PHE A 20 -8.711 -47.346 -24.757 1.00100.00 C ATOM 270 CD2 PHE A 20 -10.931 -46.926 -23.875 1.00100.00 C ATOM 271 CE1 PHE A 20 -8.653 -48.545 -24.035 1.00100.00 C ATOM 272 CE2 PHE A 20 -10.874 -48.124 -23.155 1.00100.00 C ATOM 273 CZ PHE A 20 -9.737 -48.935 -23.235 1.00100.00 C ATOM 0 H PHE A 20 -9.886 -43.073 -26.472 1.00100.00 H new ATOM 0 HA PHE A 20 -9.958 -43.836 -23.796 1.00100.00 H new ATOM 0 HB2 PHE A 20 -10.960 -45.061 -25.746 1.00100.00 H new ATOM 0 HB3 PHE A 20 -9.360 -45.369 -26.391 1.00100.00 H new ATOM 0 HD1 PHE A 20 -7.877 -47.046 -25.373 1.00100.00 H new ATOM 0 HD2 PHE A 20 -11.809 -46.300 -23.811 1.00100.00 H new ATOM 0 HE1 PHE A 20 -7.774 -49.169 -24.094 1.00100.00 H new ATOM 0 HE2 PHE A 20 -11.708 -48.423 -22.537 1.00100.00 H new ATOM 0 HZ PHE A 20 -9.694 -49.861 -22.681 1.00100.00 H new ATOM 283 N GLU A 21 -7.029 -44.217 -25.337 1.00100.00 N ATOM 284 CA GLU A 21 -5.613 -44.411 -25.163 1.00100.00 C ATOM 285 C GLU A 21 -5.032 -43.305 -24.335 1.00100.00 C ATOM 286 O GLU A 21 -4.154 -43.530 -23.502 1.00100.00 O ATOM 287 CB GLU A 21 -4.859 -44.462 -26.501 1.00100.00 C ATOM 288 CG GLU A 21 -5.410 -45.586 -27.376 1.00100.00 C ATOM 289 CD GLU A 21 -4.672 -45.646 -28.705 1.00100.00 C ATOM 290 OE1 GLU A 21 -4.855 -44.698 -29.499 1.00100.00 O ATOM 291 OE2 GLU A 21 -3.935 -46.637 -28.903 1.00100.00 O ATOM 0 H GLU A 21 -7.294 -44.044 -26.307 1.00100.00 H new ATOM 0 HA GLU A 21 -5.493 -45.371 -24.661 1.00100.00 H new ATOM 0 HB2 GLU A 21 -4.957 -43.508 -27.018 1.00100.00 H new ATOM 0 HB3 GLU A 21 -3.795 -44.619 -26.321 1.00100.00 H new ATOM 0 HG2 GLU A 21 -5.311 -46.539 -26.857 1.00100.00 H new ATOM 0 HG3 GLU A 21 -6.474 -45.428 -27.552 1.00100.00 H new ATOM 298 N GLU A 22 -5.525 -42.075 -24.579 1.00100.00 N ATOM 299 CA GLU A 22 -5.126 -40.871 -23.909 1.00100.00 C ATOM 300 C GLU A 22 -5.606 -40.770 -22.490 1.00100.00 C ATOM 301 O GLU A 22 -4.999 -40.036 -21.710 1.00100.00 O ATOM 302 CB GLU A 22 -5.595 -39.622 -24.680 1.00100.00 C ATOM 303 CG GLU A 22 -4.968 -39.548 -26.071 1.00100.00 C ATOM 304 CD GLU A 22 -3.472 -39.293 -25.977 1.00100.00 C ATOM 305 OE1 GLU A 22 -3.116 -38.215 -25.453 1.00100.00 O ATOM 306 OE2 GLU A 22 -2.715 -40.176 -26.431 1.00100.00 O ATOM 0 H GLU A 22 -6.243 -41.911 -25.284 1.00100.00 H new ATOM 0 HA GLU A 22 -4.037 -40.917 -23.882 1.00100.00 H new ATOM 0 HB2 GLU A 22 -6.681 -39.637 -24.771 1.00100.00 H new ATOM 0 HB3 GLU A 22 -5.335 -38.727 -24.115 1.00100.00 H new ATOM 0 HG2 GLU A 22 -5.150 -40.480 -26.606 1.00100.00 H new ATOM 0 HG3 GLU A 22 -5.441 -38.752 -26.646 1.00100.00 H new ATOM 313 N CYS A 23 -6.615 -41.584 -22.078 1.00100.00 N ATOM 314 CA CYS A 23 -7.203 -41.520 -20.758 1.00100.00 C ATOM 315 C CYS A 23 -6.239 -41.621 -19.599 1.00100.00 C ATOM 316 O CYS A 23 -6.412 -40.800 -18.699 1.00100.00 O ATOM 317 CB CYS A 23 -8.267 -42.598 -20.556 1.00100.00 C ATOM 318 SG CYS A 23 -8.832 -42.714 -18.844 1.00100.00 S ATOM 0 H CYS A 23 -7.030 -42.300 -22.674 1.00100.00 H new ATOM 0 HA CYS A 23 -7.631 -40.517 -20.742 1.00100.00 H new ATOM 0 HB2 CYS A 23 -9.119 -42.386 -21.201 1.00100.00 H new ATOM 0 HB3 CYS A 23 -7.864 -43.562 -20.867 1.00100.00 H new ATOM 0 HG CYS A 23 -9.927 -42.029 -18.701 1.00100.00 H new ATOM 324 N PRO A 24 -5.220 -42.542 -19.527 1.00100.00 N ATOM 325 CA PRO A 24 -4.303 -42.562 -18.409 1.00100.00 C ATOM 326 C PRO A 24 -3.516 -41.283 -18.276 1.00100.00 C ATOM 327 O PRO A 24 -3.137 -40.966 -17.147 1.00100.00 O ATOM 328 CB PRO A 24 -3.423 -43.802 -18.581 1.00100.00 C ATOM 329 CG PRO A 24 -3.502 -44.049 -20.090 1.00100.00 C ATOM 330 CD PRO A 24 -4.914 -43.597 -20.462 1.00100.00 C ATOM 0 HA PRO A 24 -4.849 -42.623 -17.468 1.00100.00 H new ATOM 0 HB2 PRO A 24 -2.400 -43.624 -18.251 1.00100.00 H new ATOM 0 HB3 PRO A 24 -3.799 -44.650 -18.009 1.00100.00 H new ATOM 0 HG2 PRO A 24 -2.745 -43.479 -20.628 1.00100.00 H new ATOM 0 HG3 PRO A 24 -3.342 -45.100 -20.332 1.00100.00 H new ATOM 0 HD2 PRO A 24 -4.957 -43.239 -21.491 1.00100.00 H new ATOM 0 HD3 PRO A 24 -5.627 -44.418 -20.380 1.00100.00 H new ATOM 338 N LYS A 25 -3.249 -40.564 -19.405 1.00100.00 N ATOM 339 CA LYS A 25 -2.531 -39.314 -19.382 1.00100.00 C ATOM 340 C LYS A 25 -3.309 -38.314 -18.601 1.00100.00 C ATOM 341 O LYS A 25 -2.723 -37.628 -17.757 1.00100.00 O ATOM 342 CB LYS A 25 -2.251 -38.675 -20.753 1.00100.00 C ATOM 343 CG LYS A 25 -1.434 -39.642 -21.605 1.00100.00 C ATOM 344 CD LYS A 25 -1.056 -38.965 -22.920 1.00100.00 C ATOM 345 CE LYS A 25 -0.250 -39.923 -23.794 1.00100.00 C ATOM 346 NZ LYS A 25 -1.041 -41.108 -24.159 1.00100.00 N ATOM 0 H LYS A 25 -3.536 -40.858 -20.338 1.00100.00 H new ATOM 0 HA LYS A 25 -1.566 -39.567 -18.942 1.00100.00 H new ATOM 0 HB2 LYS A 25 -3.189 -38.435 -21.253 1.00100.00 H new ATOM 0 HB3 LYS A 25 -1.709 -37.738 -20.626 1.00100.00 H new ATOM 0 HG2 LYS A 25 -0.535 -39.946 -21.069 1.00100.00 H new ATOM 0 HG3 LYS A 25 -2.010 -40.546 -21.801 1.00100.00 H new ATOM 0 HD2 LYS A 25 -1.957 -38.650 -23.447 1.00100.00 H new ATOM 0 HD3 LYS A 25 -0.473 -38.066 -22.720 1.00100.00 H new ATOM 0 HE2 LYS A 25 0.075 -39.408 -24.698 1.00100.00 H new ATOM 0 HE3 LYS A 25 0.650 -40.233 -23.263 1.00100.00 H new ATOM 0 HZ1 LYS A 25 -0.542 -41.645 -24.896 1.00100.00 H new ATOM 0 HZ2 LYS A 25 -1.172 -41.710 -23.321 1.00100.00 H new ATOM 0 HZ3 LYS A 25 -1.970 -40.808 -24.518 1.00100.00 H new ATOM 360 N CYS A 26 -4.641 -38.233 -18.855 1.00100.00 N ATOM 361 CA CYS A 26 -5.383 -37.309 -18.073 1.00100.00 C ATOM 362 C CYS A 26 -6.426 -37.892 -17.215 1.00100.00 C ATOM 363 O CYS A 26 -7.514 -38.295 -17.624 1.00100.00 O ATOM 364 CB CYS A 26 -5.846 -36.014 -18.722 1.00100.00 C ATOM 365 SG CYS A 26 -6.838 -35.063 -17.551 1.00100.00 S ATOM 0 H CYS A 26 -5.161 -38.769 -19.550 1.00100.00 H new ATOM 0 HA CYS A 26 -4.571 -36.986 -17.421 1.00100.00 H new ATOM 0 HB2 CYS A 26 -4.984 -35.429 -19.042 1.00100.00 H new ATOM 0 HB3 CYS A 26 -6.432 -36.233 -19.615 1.00100.00 H new ATOM 0 HG CYS A 26 -7.727 -34.370 -18.198 1.00100.00 H new ATOM 371 N SER A 27 -5.972 -37.951 -15.963 1.00100.00 N ATOM 372 CA SER A 27 -6.630 -38.326 -14.753 1.00100.00 C ATOM 373 C SER A 27 -6.218 -37.129 -13.889 1.00100.00 C ATOM 374 O SER A 27 -6.109 -37.219 -12.665 1.00100.00 O ATOM 375 CB SER A 27 -6.037 -39.628 -14.172 1.00100.00 C ATOM 376 OG SER A 27 -6.231 -40.681 -15.092 1.00100.00 O ATOM 0 H SER A 27 -5.002 -37.699 -15.771 1.00100.00 H new ATOM 0 HA SER A 27 -7.699 -38.518 -14.842 1.00100.00 H new ATOM 0 HB2 SER A 27 -4.974 -39.498 -13.969 1.00100.00 H new ATOM 0 HB3 SER A 27 -6.516 -39.867 -13.222 1.00100.00 H new ATOM 0 HG SER A 27 -5.854 -41.508 -14.726 1.00100.00 H new ATOM 382 N ALA A 28 -6.005 -35.958 -14.555 1.00100.00 N ATOM 383 CA ALA A 28 -5.558 -34.710 -14.039 1.00100.00 C ATOM 384 C ALA A 28 -6.586 -34.009 -13.227 1.00100.00 C ATOM 385 O ALA A 28 -7.770 -34.337 -13.254 1.00100.00 O ATOM 386 CB ALA A 28 -5.043 -33.755 -15.137 1.00100.00 C ATOM 0 H ALA A 28 -6.169 -35.901 -15.560 1.00100.00 H new ATOM 0 HA ALA A 28 -4.726 -34.974 -13.386 1.00100.00 H new ATOM 0 HB1 ALA A 28 -4.716 -32.820 -14.682 1.00100.00 H new ATOM 0 HB2 ALA A 28 -4.205 -34.218 -15.658 1.00100.00 H new ATOM 0 HB3 ALA A 28 -5.844 -33.552 -15.848 1.00100.00 H new ATOM 392 N LEU A 29 -6.101 -32.965 -12.530 1.00100.00 N ATOM 393 CA LEU A 29 -6.824 -32.138 -11.619 1.00100.00 C ATOM 394 C LEU A 29 -8.015 -31.472 -12.225 1.00100.00 C ATOM 395 O LEU A 29 -9.025 -31.350 -11.528 1.00100.00 O ATOM 396 CB LEU A 29 -5.939 -31.006 -11.060 1.00100.00 C ATOM 397 CG LEU A 29 -4.692 -31.557 -10.361 1.00100.00 C ATOM 398 CD1 LEU A 29 -3.838 -30.386 -9.878 1.00100.00 C ATOM 399 CD2 LEU A 29 -5.075 -32.425 -9.162 1.00100.00 C ATOM 0 H LEU A 29 -5.125 -32.680 -12.613 1.00100.00 H new ATOM 0 HA LEU A 29 -7.148 -32.826 -10.838 1.00100.00 H new ATOM 0 HB2 LEU A 29 -5.639 -30.344 -11.872 1.00100.00 H new ATOM 0 HB3 LEU A 29 -6.516 -30.406 -10.356 1.00100.00 H new ATOM 0 HG LEU A 29 -4.136 -32.171 -11.069 1.00100.00 H new ATOM 0 HD11 LEU A 29 -2.947 -30.767 -9.379 1.00100.00 H new ATOM 0 HD12 LEU A 29 -3.543 -29.775 -10.731 1.00100.00 H new ATOM 0 HD13 LEU A 29 -4.414 -29.779 -9.179 1.00100.00 H new ATOM 0 HD21 LEU A 29 -4.172 -32.804 -8.684 1.00100.00 H new ATOM 0 HD22 LEU A 29 -5.641 -31.828 -8.447 1.00100.00 H new ATOM 0 HD23 LEU A 29 -5.685 -33.263 -9.499 1.00100.00 H new ATOM 411 N GLN A 30 -7.958 -31.074 -13.519 1.00100.00 N ATOM 412 CA GLN A 30 -9.055 -30.384 -14.157 1.00100.00 C ATOM 413 C GLN A 30 -10.354 -31.152 -14.229 1.00100.00 C ATOM 414 O GLN A 30 -11.369 -30.617 -13.781 1.00100.00 O ATOM 415 CB GLN A 30 -8.695 -30.013 -15.611 1.00100.00 C ATOM 416 CG GLN A 30 -7.533 -29.025 -15.659 1.00100.00 C ATOM 417 CD GLN A 30 -7.941 -27.695 -15.041 1.00100.00 C ATOM 418 OE1 GLN A 30 -8.935 -27.098 -15.450 1.00100.00 O ATOM 419 NE2 GLN A 30 -7.177 -27.234 -14.048 1.00100.00 N ATOM 0 H GLN A 30 -7.152 -31.230 -14.125 1.00100.00 H new ATOM 0 HA GLN A 30 -9.210 -29.515 -13.518 1.00100.00 H new ATOM 0 HB2 GLN A 30 -8.432 -30.915 -16.164 1.00100.00 H new ATOM 0 HB3 GLN A 30 -9.565 -29.579 -16.104 1.00100.00 H new ATOM 0 HG2 GLN A 30 -6.677 -29.435 -15.123 1.00100.00 H new ATOM 0 HG3 GLN A 30 -7.220 -28.872 -16.692 1.00100.00 H new ATOM 0 HE21 GLN A 30 -6.361 -27.765 -13.743 1.00100.00 H new ATOM 0 HE22 GLN A 30 -7.409 -26.350 -13.594 1.00100.00 H new ATOM 428 N TYR A 31 -10.345 -32.420 -14.741 1.00100.00 N ATOM 429 CA TYR A 31 -11.503 -33.300 -14.873 1.00100.00 C ATOM 430 C TYR A 31 -12.665 -32.560 -15.553 1.00100.00 C ATOM 431 O TYR A 31 -13.823 -32.716 -15.164 1.00100.00 O ATOM 432 CB TYR A 31 -11.896 -33.906 -13.482 1.00100.00 C ATOM 433 CG TYR A 31 -12.827 -35.089 -13.604 1.00100.00 C ATOM 434 CD1 TYR A 31 -12.317 -36.327 -14.021 1.00100.00 C ATOM 435 CD2 TYR A 31 -14.193 -34.949 -13.323 1.00100.00 C ATOM 436 CE1 TYR A 31 -13.171 -37.427 -14.171 1.00100.00 C ATOM 437 CE2 TYR A 31 -15.056 -36.044 -13.471 1.00100.00 C ATOM 438 CZ TYR A 31 -14.547 -37.287 -13.899 1.00100.00 C ATOM 439 OH TYR A 31 -15.385 -38.353 -14.053 1.00100.00 O ATOM 0 H TYR A 31 -9.487 -32.855 -15.081 1.00100.00 H new ATOM 0 HA TYR A 31 -11.245 -34.140 -15.518 1.00100.00 H new ATOM 0 HB2 TYR A 31 -10.992 -34.213 -12.955 1.00100.00 H new ATOM 0 HB3 TYR A 31 -12.372 -33.135 -12.876 1.00100.00 H new ATOM 0 HD1 TYR A 31 -11.262 -36.433 -14.227 1.00100.00 H new ATOM 0 HD2 TYR A 31 -14.581 -33.997 -12.992 1.00100.00 H new ATOM 0 HE1 TYR A 31 -12.777 -38.379 -14.494 1.00100.00 H new ATOM 0 HE2 TYR A 31 -16.109 -35.935 -13.257 1.00100.00 H new ATOM 0 HH TYR A 31 -16.299 -38.086 -13.823 1.00100.00 H new ATOM 449 N ARG A 32 -12.387 -31.740 -16.602 1.00100.00 N ATOM 450 CA ARG A 32 -13.404 -30.938 -17.251 1.00100.00 C ATOM 451 C ARG A 32 -14.563 -31.592 -17.953 1.00100.00 C ATOM 452 O ARG A 32 -15.703 -31.204 -17.685 1.00100.00 O ATOM 453 CB ARG A 32 -12.826 -29.935 -18.275 1.00100.00 C ATOM 454 CG ARG A 32 -12.073 -28.822 -17.553 1.00100.00 C ATOM 455 CD ARG A 32 -11.694 -27.717 -18.535 1.00100.00 C ATOM 456 NE ARG A 32 -10.758 -28.202 -19.553 1.00100.00 N ATOM 457 CZ ARG A 32 -9.427 -28.080 -19.459 1.00100.00 C ATOM 458 NH1 ARG A 32 -8.867 -27.514 -18.380 1.00100.00 N ATOM 459 NH2 ARG A 32 -8.647 -28.531 -20.451 1.00100.00 N ATOM 0 H ARG A 32 -11.455 -31.632 -17.002 1.00100.00 H new ATOM 0 HA ARG A 32 -13.810 -30.487 -16.346 1.00100.00 H new ATOM 0 HB2 ARG A 32 -12.156 -30.451 -18.962 1.00100.00 H new ATOM 0 HB3 ARG A 32 -13.632 -29.510 -18.874 1.00100.00 H new ATOM 0 HG2 ARG A 32 -12.693 -28.412 -16.755 1.00100.00 H new ATOM 0 HG3 ARG A 32 -11.175 -29.225 -17.084 1.00100.00 H new ATOM 0 HD2 ARG A 32 -12.593 -27.334 -19.018 1.00100.00 H new ATOM 0 HD3 ARG A 32 -11.245 -26.885 -17.993 1.00100.00 H new ATOM 0 HE ARG A 32 -11.142 -28.659 -20.380 1.00100.00 H new ATOM 0 HH11 ARG A 32 -9.455 -27.171 -17.621 1.00100.00 H new ATOM 0 HH12 ARG A 32 -7.853 -27.426 -18.319 1.00100.00 H new ATOM 0 HH21 ARG A 32 -9.067 -28.965 -21.273 1.00100.00 H new ATOM 0 HH22 ARG A 32 -7.633 -28.440 -20.384 1.00100.00 H new ATOM 473 N ASN A 33 -14.325 -32.600 -18.830 1.00100.00 N ATOM 474 CA ASN A 33 -15.407 -33.220 -19.565 1.00100.00 C ATOM 475 C ASN A 33 -15.258 -34.711 -19.594 1.00100.00 C ATOM 476 O ASN A 33 -16.011 -35.408 -18.917 1.00100.00 O ATOM 477 CB ASN A 33 -15.509 -32.734 -21.038 1.00100.00 C ATOM 478 CG ASN A 33 -15.734 -31.229 -21.088 1.00100.00 C ATOM 479 OD1 ASN A 33 -16.822 -30.753 -20.774 1.00100.00 O ATOM 480 ND2 ASN A 33 -14.699 -30.481 -21.480 1.00100.00 N ATOM 0 H ASN A 33 -13.400 -32.982 -19.029 1.00100.00 H new ATOM 0 HA ASN A 33 -16.312 -32.926 -19.033 1.00100.00 H new ATOM 0 HB2 ASN A 33 -14.596 -32.989 -21.576 1.00100.00 H new ATOM 0 HB3 ASN A 33 -16.329 -33.247 -21.541 1.00100.00 H new ATOM 0 HD21 ASN A 33 -14.792 -29.466 -21.529 1.00100.00 H new ATOM 0 HD22 ASN A 33 -13.815 -30.924 -21.731 1.00100.00 H new ATOM 487 N GLY A 34 -14.257 -35.231 -20.351 1.00100.00 N ATOM 488 CA GLY A 34 -14.031 -36.645 -20.456 1.00100.00 C ATOM 489 C GLY A 34 -12.855 -36.888 -21.347 1.00100.00 C ATOM 490 O GLY A 34 -12.935 -36.706 -22.555 1.00100.00 O ATOM 0 H GLY A 34 -13.604 -34.663 -20.891 1.00100.00 H new ATOM 0 HA2 GLY A 34 -13.849 -37.071 -19.469 1.00100.00 H new ATOM 0 HA3 GLY A 34 -14.916 -37.138 -20.858 1.00100.00 H new ATOM 494 N PHE A 35 -11.730 -37.376 -20.783 1.00100.00 N ATOM 495 CA PHE A 35 -10.496 -37.619 -21.493 1.00100.00 C ATOM 496 C PHE A 35 -10.640 -38.818 -22.397 1.00100.00 C ATOM 497 O PHE A 35 -9.724 -39.075 -23.167 1.00100.00 O ATOM 498 CB PHE A 35 -9.276 -37.768 -20.561 1.00100.00 C ATOM 499 CG PHE A 35 -8.063 -37.080 -21.144 1.00100.00 C ATOM 500 CD1 PHE A 35 -8.033 -35.682 -21.220 1.00100.00 C ATOM 501 CD2 PHE A 35 -6.971 -37.819 -21.610 1.00100.00 C ATOM 502 CE1 PHE A 35 -6.922 -35.020 -21.757 1.00100.00 C ATOM 503 CE2 PHE A 35 -5.848 -37.159 -22.130 1.00100.00 C ATOM 504 CZ PHE A 35 -5.827 -35.761 -22.214 1.00100.00 C ATOM 0 H PHE A 35 -11.673 -37.612 -19.792 1.00100.00 H new ATOM 0 HA PHE A 35 -10.302 -36.735 -22.100 1.00100.00 H new ATOM 0 HB2 PHE A 35 -9.506 -37.342 -19.584 1.00100.00 H new ATOM 0 HB3 PHE A 35 -9.060 -38.825 -20.405 1.00100.00 H new ATOM 0 HD1 PHE A 35 -8.875 -35.109 -20.861 1.00100.00 H new ATOM 0 HD2 PHE A 35 -6.992 -38.898 -21.569 1.00100.00 H new ATOM 0 HE1 PHE A 35 -6.911 -33.942 -21.818 1.00100.00 H new ATOM 0 HE2 PHE A 35 -4.996 -37.731 -22.467 1.00100.00 H new ATOM 0 HZ PHE A 35 -4.968 -35.256 -22.630 1.00100.00 H new ATOM 514 N TYR A 36 -11.726 -39.626 -22.268 1.00100.00 N ATOM 515 CA TYR A 36 -11.981 -40.702 -23.194 1.00100.00 C ATOM 516 C TYR A 36 -13.019 -40.187 -24.186 1.00100.00 C ATOM 517 O TYR A 36 -13.080 -40.683 -25.310 1.00100.00 O ATOM 518 CB TYR A 36 -12.782 -41.951 -22.719 1.00100.00 C ATOM 519 CG TYR A 36 -12.238 -42.970 -21.741 1.00100.00 C ATOM 520 CD1 TYR A 36 -11.580 -44.112 -22.199 1.00100.00 C ATOM 521 CD2 TYR A 36 -12.605 -42.917 -20.398 1.00100.00 C ATOM 522 CE1 TYR A 36 -11.089 -45.070 -21.301 1.00100.00 C ATOM 523 CE2 TYR A 36 -12.168 -43.881 -19.482 1.00100.00 C ATOM 524 CZ TYR A 36 -11.366 -44.948 -19.927 1.00100.00 C ATOM 525 OH TYR A 36 -10.912 -45.885 -19.046 1.00100.00 O ATOM 0 H TYR A 36 -12.421 -39.533 -21.527 1.00100.00 H new ATOM 0 HA TYR A 36 -10.970 -40.982 -23.489 1.00100.00 H new ATOM 0 HB2 TYR A 36 -13.709 -41.575 -22.286 1.00100.00 H new ATOM 0 HB3 TYR A 36 -13.052 -42.503 -23.619 1.00100.00 H new ATOM 0 HD1 TYR A 36 -11.447 -44.260 -23.261 1.00100.00 H new ATOM 0 HD2 TYR A 36 -13.241 -42.114 -20.056 1.00100.00 H new ATOM 0 HE1 TYR A 36 -10.500 -45.900 -21.663 1.00100.00 H new ATOM 0 HE2 TYR A 36 -12.445 -43.806 -18.441 1.00100.00 H new ATOM 0 HH TYR A 36 -11.193 -45.644 -18.139 1.00100.00 H new ATOM 535 N LEU A 37 -13.766 -39.105 -23.825 1.00100.00 N ATOM 536 CA LEU A 37 -14.894 -38.584 -24.554 1.00100.00 C ATOM 537 C LEU A 37 -14.775 -38.145 -25.952 1.00100.00 C ATOM 538 O LEU A 37 -15.610 -38.618 -26.718 1.00100.00 O ATOM 539 CB LEU A 37 -15.606 -37.438 -23.765 1.00100.00 C ATOM 540 CG LEU A 37 -16.912 -36.931 -24.384 1.00100.00 C ATOM 541 CD1 LEU A 37 -18.021 -37.977 -24.283 1.00100.00 C ATOM 542 CD2 LEU A 37 -17.344 -35.681 -23.617 1.00100.00 C ATOM 0 H LEU A 37 -13.567 -38.571 -22.979 1.00100.00 H new ATOM 0 HA LEU A 37 -15.460 -39.512 -24.637 1.00100.00 H new ATOM 0 HB2 LEU A 37 -15.815 -37.790 -22.755 1.00100.00 H new ATOM 0 HB3 LEU A 37 -14.916 -36.599 -23.674 1.00100.00 H new ATOM 0 HG LEU A 37 -16.743 -36.716 -25.439 1.00100.00 H new ATOM 0 HD11 LEU A 37 -18.933 -37.584 -24.732 1.00100.00 H new ATOM 0 HD12 LEU A 37 -17.717 -38.881 -24.810 1.00100.00 H new ATOM 0 HD13 LEU A 37 -18.205 -38.213 -23.235 1.00100.00 H new ATOM 0 HD21 LEU A 37 -18.274 -35.299 -24.038 1.00100.00 H new ATOM 0 HD22 LEU A 37 -17.498 -35.933 -22.568 1.00100.00 H new ATOM 0 HD23 LEU A 37 -16.569 -34.919 -23.697 1.00100.00 H new ATOM 554 N LEU A 38 -13.784 -37.324 -26.365 1.00100.00 N ATOM 555 CA LEU A 38 -13.792 -36.928 -27.754 1.00100.00 C ATOM 556 C LEU A 38 -13.643 -38.025 -28.751 1.00100.00 C ATOM 557 O LEU A 38 -14.370 -38.019 -29.745 1.00100.00 O ATOM 558 CB LEU A 38 -12.864 -35.780 -28.199 1.00100.00 C ATOM 559 CG LEU A 38 -13.234 -34.442 -27.558 1.00100.00 C ATOM 560 CD1 LEU A 38 -12.292 -33.373 -28.112 1.00100.00 C ATOM 561 CD2 LEU A 38 -14.673 -34.030 -27.879 1.00100.00 C ATOM 0 H LEU A 38 -13.027 -36.955 -25.790 1.00100.00 H new ATOM 0 HA LEU A 38 -14.812 -36.545 -27.760 1.00100.00 H new ATOM 0 HB2 LEU A 38 -11.835 -36.030 -27.942 1.00100.00 H new ATOM 0 HB3 LEU A 38 -12.907 -35.683 -29.284 1.00100.00 H new ATOM 0 HG LEU A 38 -13.145 -34.544 -26.476 1.00100.00 H new ATOM 0 HD11 LEU A 38 -12.536 -32.408 -27.669 1.00100.00 H new ATOM 0 HD12 LEU A 38 -11.262 -33.634 -27.868 1.00100.00 H new ATOM 0 HD13 LEU A 38 -12.405 -33.314 -29.195 1.00100.00 H new ATOM 0 HD21 LEU A 38 -14.892 -33.074 -27.403 1.00100.00 H new ATOM 0 HD22 LEU A 38 -14.792 -33.934 -28.958 1.00100.00 H new ATOM 0 HD23 LEU A 38 -15.361 -34.788 -27.504 1.00100.00 H new ATOM 573 N LYS A 39 -12.724 -38.984 -28.506 1.00100.00 N ATOM 574 CA LYS A 39 -12.536 -40.044 -29.448 1.00100.00 C ATOM 575 C LYS A 39 -12.443 -41.403 -28.838 1.00100.00 C ATOM 576 O LYS A 39 -11.655 -41.655 -27.927 1.00100.00 O ATOM 577 CB LYS A 39 -11.276 -39.866 -30.343 1.00100.00 C ATOM 578 CG LYS A 39 -11.376 -38.570 -31.146 1.00100.00 C ATOM 579 CD LYS A 39 -10.151 -38.428 -32.047 1.00100.00 C ATOM 580 CE LYS A 39 -10.247 -37.124 -32.836 1.00100.00 C ATOM 581 NZ LYS A 39 -9.076 -36.949 -33.709 1.00100.00 N ATOM 0 H LYS A 39 -12.128 -39.024 -27.679 1.00100.00 H new ATOM 0 HA LYS A 39 -13.442 -39.977 -30.050 1.00100.00 H new ATOM 0 HB2 LYS A 39 -10.380 -39.849 -29.723 1.00100.00 H new ATOM 0 HB3 LYS A 39 -11.179 -40.715 -31.020 1.00100.00 H new ATOM 0 HG2 LYS A 39 -12.284 -38.573 -31.748 1.00100.00 H new ATOM 0 HG3 LYS A 39 -11.444 -37.717 -30.471 1.00100.00 H new ATOM 0 HD2 LYS A 39 -9.242 -38.436 -31.446 1.00100.00 H new ATOM 0 HD3 LYS A 39 -10.089 -39.275 -32.730 1.00100.00 H new ATOM 0 HE2 LYS A 39 -11.156 -37.124 -33.437 1.00100.00 H new ATOM 0 HE3 LYS A 39 -10.321 -36.282 -32.147 1.00100.00 H new ATOM 0 HZ1 LYS A 39 -9.165 -36.056 -34.234 1.00100.00 H new ATOM 0 HZ2 LYS A 39 -8.212 -36.926 -33.130 1.00100.00 H new ATOM 0 HZ3 LYS A 39 -9.022 -37.742 -34.380 1.00100.00 H new ATOM 595 N TYR A 40 -13.303 -42.309 -29.338 1.00100.00 N ATOM 596 CA TYR A 40 -13.284 -43.701 -28.964 1.00100.00 C ATOM 597 C TYR A 40 -12.980 -44.466 -30.256 1.00100.00 C ATOM 598 O TYR A 40 -13.005 -45.696 -30.299 1.00100.00 O ATOM 599 CB TYR A 40 -14.582 -44.191 -28.259 1.00100.00 C ATOM 600 CG TYR A 40 -14.511 -45.618 -27.768 1.00100.00 C ATOM 601 CD1 TYR A 40 -13.544 -45.978 -26.821 1.00100.00 C ATOM 602 CD2 TYR A 40 -15.408 -46.578 -28.256 1.00100.00 C ATOM 603 CE1 TYR A 40 -13.459 -47.300 -26.367 1.00100.00 C ATOM 604 CE2 TYR A 40 -15.333 -47.903 -27.807 1.00100.00 C ATOM 605 CZ TYR A 40 -14.353 -48.270 -26.862 1.00100.00 C ATOM 606 OH TYR A 40 -14.275 -49.559 -26.423 1.00100.00 O ATOM 0 H TYR A 40 -14.028 -42.076 -30.016 1.00100.00 H new ATOM 0 HA TYR A 40 -12.524 -43.878 -28.203 1.00100.00 H new ATOM 0 HB2 TYR A 40 -14.794 -43.536 -27.414 1.00100.00 H new ATOM 0 HB3 TYR A 40 -15.418 -44.097 -28.952 1.00100.00 H new ATOM 0 HD1 TYR A 40 -12.861 -45.233 -26.439 1.00100.00 H new ATOM 0 HD2 TYR A 40 -16.158 -46.296 -28.980 1.00100.00 H new ATOM 0 HE1 TYR A 40 -12.710 -47.575 -25.639 1.00100.00 H new ATOM 0 HE2 TYR A 40 -16.025 -48.642 -28.184 1.00100.00 H new ATOM 0 HH TYR A 40 -14.965 -50.097 -26.864 1.00100.00 H new ATOM 616 N ASP A 41 -12.589 -43.731 -31.332 1.00100.00 N ATOM 617 CA ASP A 41 -12.271 -44.217 -32.652 1.00100.00 C ATOM 618 C ASP A 41 -13.412 -44.968 -33.293 1.00100.00 C ATOM 619 O ASP A 41 -13.239 -46.009 -33.932 1.00100.00 O ATOM 620 CB ASP A 41 -10.943 -45.024 -32.719 1.00100.00 C ATOM 621 CG ASP A 41 -9.784 -44.210 -32.156 1.00100.00 C ATOM 622 OD1 ASP A 41 -9.599 -43.074 -32.641 1.00100.00 O ATOM 623 OD2 ASP A 41 -9.108 -44.737 -31.245 1.00100.00 O ATOM 0 H ASP A 41 -12.489 -42.718 -31.269 1.00100.00 H new ATOM 0 HA ASP A 41 -12.108 -43.317 -33.245 1.00100.00 H new ATOM 0 HB2 ASP A 41 -11.048 -45.952 -32.157 1.00100.00 H new ATOM 0 HB3 ASP A 41 -10.732 -45.299 -33.752 1.00100.00 H new ATOM 628 N GLU A 42 -14.635 -44.421 -33.122 1.00100.00 N ATOM 629 CA GLU A 42 -15.840 -44.973 -33.687 1.00100.00 C ATOM 630 C GLU A 42 -16.185 -44.066 -34.831 1.00100.00 C ATOM 631 O GLU A 42 -16.038 -42.848 -34.715 1.00100.00 O ATOM 632 CB GLU A 42 -17.060 -44.952 -32.739 1.00100.00 C ATOM 633 CG GLU A 42 -16.811 -45.833 -31.517 1.00100.00 C ATOM 634 CD GLU A 42 -16.645 -47.295 -31.913 1.00100.00 C ATOM 635 OE1 GLU A 42 -17.559 -47.807 -32.596 1.00100.00 O ATOM 636 OE2 GLU A 42 -15.609 -47.874 -31.524 1.00100.00 O ATOM 0 H GLU A 42 -14.792 -43.573 -32.577 1.00100.00 H new ATOM 0 HA GLU A 42 -15.649 -46.016 -33.940 1.00100.00 H new ATOM 0 HB2 GLU A 42 -17.262 -43.929 -32.421 1.00100.00 H new ATOM 0 HB3 GLU A 42 -17.945 -45.301 -33.270 1.00100.00 H new ATOM 0 HG2 GLU A 42 -15.917 -45.491 -30.996 1.00100.00 H new ATOM 0 HG3 GLU A 42 -17.643 -45.735 -30.820 1.00100.00 H new ATOM 643 N GLU A 43 -16.609 -44.638 -35.986 1.00100.00 N ATOM 644 CA GLU A 43 -16.977 -43.827 -37.127 1.00100.00 C ATOM 645 C GLU A 43 -18.334 -43.247 -36.812 1.00100.00 C ATOM 646 O GLU A 43 -19.226 -43.969 -36.356 1.00100.00 O ATOM 647 CB GLU A 43 -17.052 -44.597 -38.466 1.00100.00 C ATOM 648 CG GLU A 43 -17.408 -43.651 -39.614 1.00100.00 C ATOM 649 CD GLU A 43 -17.392 -44.365 -40.963 1.00100.00 C ATOM 650 OE1 GLU A 43 -17.315 -45.614 -40.956 1.00100.00 O ATOM 651 OE2 GLU A 43 -17.465 -43.644 -41.981 1.00100.00 O ATOM 0 H GLU A 43 -16.697 -45.644 -36.131 1.00100.00 H new ATOM 0 HA GLU A 43 -16.202 -43.074 -37.274 1.00100.00 H new ATOM 0 HB2 GLU A 43 -16.095 -45.079 -38.668 1.00100.00 H new ATOM 0 HB3 GLU A 43 -17.799 -45.388 -38.395 1.00100.00 H new ATOM 0 HG2 GLU A 43 -18.396 -43.224 -39.440 1.00100.00 H new ATOM 0 HG3 GLU A 43 -16.701 -42.821 -39.634 1.00100.00 H new ATOM 658 N TRP A 44 -18.495 -41.919 -37.039 1.00100.00 N ATOM 659 CA TRP A 44 -19.733 -41.238 -36.754 1.00100.00 C ATOM 660 C TRP A 44 -20.308 -40.689 -38.017 1.00100.00 C ATOM 661 O TRP A 44 -19.590 -40.122 -38.843 1.00100.00 O ATOM 662 CB TRP A 44 -19.613 -40.076 -35.742 1.00100.00 C ATOM 663 CG TRP A 44 -19.272 -40.555 -34.368 1.00100.00 C ATOM 664 CD1 TRP A 44 -18.036 -40.600 -33.825 1.00100.00 C ATOM 665 CD2 TRP A 44 -20.165 -41.132 -33.371 1.00100.00 C ATOM 666 NE1 TRP A 44 -18.104 -41.156 -32.564 1.00100.00 N ATOM 667 CE2 TRP A 44 -19.397 -41.512 -32.237 1.00100.00 C ATOM 668 CE3 TRP A 44 -21.548 -41.388 -33.323 1.00100.00 C ATOM 669 CZ2 TRP A 44 -19.971 -42.119 -31.114 1.00100.00 C ATOM 670 CZ3 TRP A 44 -22.134 -41.994 -32.204 1.00100.00 C ATOM 671 CH2 TRP A 44 -21.349 -42.363 -31.104 1.00100.00 C ATOM 0 H TRP A 44 -17.765 -41.317 -37.421 1.00100.00 H new ATOM 0 HA TRP A 44 -20.376 -41.993 -36.300 1.00100.00 H new ATOM 0 HB2 TRP A 44 -18.847 -39.378 -36.082 1.00100.00 H new ATOM 0 HB3 TRP A 44 -20.554 -39.526 -35.710 1.00100.00 H new ATOM 0 HD1 TRP A 44 -17.132 -40.254 -34.305 1.00100.00 H new ATOM 0 HE1 TRP A 44 -17.300 -41.287 -31.950 1.00100.00 H new ATOM 0 HE3 TRP A 44 -22.168 -41.113 -34.163 1.00100.00 H new ATOM 0 HZ2 TRP A 44 -19.359 -42.395 -30.268 1.00100.00 H new ATOM 0 HZ3 TRP A 44 -23.198 -42.178 -32.189 1.00100.00 H new ATOM 0 HH2 TRP A 44 -21.807 -42.836 -30.248 1.00100.00 H new HETATM 682 N PTR A 45 -21.646 -40.857 -38.170 1.00100.00 N HETATM 683 CA PTR A 45 -22.424 -40.432 -39.312 1.00100.00 C HETATM 684 C PTR A 45 -21.916 -40.890 -40.666 1.00100.00 C HETATM 685 O PTR A 45 -21.542 -40.056 -41.497 1.00100.00 O HETATM 686 CB PTR A 45 -22.830 -38.933 -39.305 1.00100.00 C HETATM 687 CG PTR A 45 -23.611 -38.535 -38.075 1.00100.00 C HETATM 688 CD1 PTR A 45 -22.934 -38.131 -36.916 1.00100.00 C HETATM 689 CD2 PTR A 45 -25.011 -38.585 -38.091 1.00100.00 C HETATM 690 CE1 PTR A 45 -23.655 -37.776 -35.767 1.00100.00 C HETATM 691 CE2 PTR A 45 -25.742 -38.231 -36.949 1.00100.00 C HETATM 692 CZ PTR A 45 -25.064 -37.825 -35.780 1.00100.00 C HETATM 693 OH PTR A 45 -25.771 -37.481 -34.665 1.00100.00 O HETATM 694 P PTR A 45 -26.955 -38.503 -34.337 1.00100.00 P HETATM 695 O1P PTR A 45 -26.421 -39.787 -34.125 1.00 0.00 O HETATM 696 O2P PTR A 45 -27.632 -38.080 -33.179 1.00 0.00 O HETATM 697 O3P PTR A 45 -27.854 -38.541 -35.417 1.00 0.00 O HETATM 0 HE2 PTR A 45 -26.831 -38.269 -36.964 1.00100.00 H new HETATM 0 HE1 PTR A 45 -23.127 -37.463 -34.866 1.00100.00 H new HETATM 0 HD2 PTR A 45 -25.533 -38.900 -38.994 1.00100.00 H new HETATM 0 HD1 PTR A 45 -21.845 -38.093 -36.908 1.00100.00 H new HETATM 0 HB3 PTR A 45 -21.932 -38.319 -39.372 1.00100.00 H new HETATM 0 HB2 PTR A 45 -23.427 -38.721 -40.192 1.00100.00 H new HETATM 0 HA PTR A 45 -23.348 -40.990 -39.164 1.00100.00 H new ATOM 706 N PRO A 46 -21.852 -42.238 -40.921 1.00100.00 N ATOM 707 CA PRO A 46 -21.384 -42.797 -42.171 1.00100.00 C ATOM 708 C PRO A 46 -22.486 -42.661 -43.189 1.00100.00 C ATOM 709 O PRO A 46 -23.179 -43.630 -43.504 1.00100.00 O ATOM 710 CB PRO A 46 -20.992 -44.237 -41.826 1.00100.00 C ATOM 711 CG PRO A 46 -22.011 -44.596 -40.745 1.00100.00 C ATOM 712 CD PRO A 46 -22.159 -43.287 -39.969 1.00100.00 C ATOM 0 HA PRO A 46 -20.523 -42.298 -42.616 1.00100.00 H new ATOM 0 HB2 PRO A 46 -21.065 -44.897 -42.690 1.00100.00 H new ATOM 0 HB3 PRO A 46 -19.968 -44.304 -41.459 1.00100.00 H new ATOM 0 HG2 PRO A 46 -22.959 -44.921 -41.175 1.00100.00 H new ATOM 0 HG3 PRO A 46 -21.656 -45.406 -40.108 1.00100.00 H new ATOM 0 HD2 PRO A 46 -23.169 -43.176 -39.575 1.00100.00 H new ATOM 0 HD3 PRO A 46 -21.479 -43.256 -39.118 1.00100.00 H new ATOM 720 N GLU A 47 -22.632 -41.430 -43.714 1.00100.00 N ATOM 721 CA GLU A 47 -23.640 -41.048 -44.659 1.00100.00 C ATOM 722 C GLU A 47 -23.551 -41.827 -45.937 1.00100.00 C ATOM 723 O GLU A 47 -24.587 -42.244 -46.453 1.00100.00 O ATOM 724 CB GLU A 47 -23.588 -39.533 -44.913 1.00100.00 C ATOM 725 CG GLU A 47 -23.962 -38.782 -43.634 1.00100.00 C ATOM 726 CD GLU A 47 -23.914 -37.270 -43.823 1.00100.00 C ATOM 727 OE1 GLU A 47 -23.542 -36.835 -44.934 1.00100.00 O ATOM 728 OE2 GLU A 47 -24.252 -36.572 -42.842 1.00100.00 O ATOM 0 H GLU A 47 -22.013 -40.658 -43.466 1.00100.00 H new ATOM 0 HA GLU A 47 -24.609 -41.291 -44.223 1.00100.00 H new ATOM 0 HB2 GLU A 47 -22.589 -39.243 -45.237 1.00100.00 H new ATOM 0 HB3 GLU A 47 -24.274 -39.266 -45.717 1.00100.00 H new ATOM 0 HG2 GLU A 47 -24.964 -39.076 -43.321 1.00100.00 H new ATOM 0 HG3 GLU A 47 -23.281 -39.069 -42.833 1.00100.00 H new ATOM 735 N GLU A 48 -22.319 -42.074 -46.448 1.00100.00 N ATOM 736 CA GLU A 48 -22.095 -42.825 -47.659 1.00100.00 C ATOM 737 C GLU A 48 -22.606 -44.236 -47.488 1.00100.00 C ATOM 738 O GLU A 48 -23.282 -44.756 -48.376 1.00100.00 O ATOM 739 CB GLU A 48 -20.597 -42.884 -48.036 1.00100.00 C ATOM 740 CG GLU A 48 -20.399 -43.670 -49.336 1.00100.00 C ATOM 741 CD GLU A 48 -18.929 -43.770 -49.730 1.00100.00 C ATOM 742 OE1 GLU A 48 -18.114 -43.044 -49.121 1.00100.00 O ATOM 743 OE2 GLU A 48 -18.646 -44.578 -50.642 1.00100.00 O ATOM 0 H GLU A 48 -21.459 -41.744 -46.009 1.00100.00 H new ATOM 0 HA GLU A 48 -22.632 -42.315 -48.459 1.00100.00 H new ATOM 0 HB2 GLU A 48 -20.206 -41.873 -48.152 1.00100.00 H new ATOM 0 HB3 GLU A 48 -20.032 -43.354 -47.231 1.00100.00 H new ATOM 0 HG2 GLU A 48 -20.811 -44.672 -49.219 1.00100.00 H new ATOM 0 HG3 GLU A 48 -20.957 -43.188 -50.139 1.00100.00 H new ATOM 750 N LEU A 49 -22.301 -44.863 -46.325 1.00100.00 N ATOM 751 CA LEU A 49 -22.720 -46.205 -46.002 1.00100.00 C ATOM 752 C LEU A 49 -24.216 -46.307 -45.873 1.00100.00 C ATOM 753 O LEU A 49 -24.802 -47.285 -46.340 1.00100.00 O ATOM 754 CB LEU A 49 -22.032 -46.764 -44.741 1.00100.00 C ATOM 755 CG LEU A 49 -20.506 -46.652 -44.828 1.00100.00 C ATOM 756 CD1 LEU A 49 -19.883 -47.336 -43.610 1.00100.00 C ATOM 757 CD2 LEU A 49 -19.965 -47.316 -46.095 1.00100.00 C ATOM 0 H LEU A 49 -21.748 -44.424 -45.589 1.00100.00 H new ATOM 0 HA LEU A 49 -22.402 -46.823 -46.842 1.00100.00 H new ATOM 0 HB2 LEU A 49 -22.387 -46.223 -43.864 1.00100.00 H new ATOM 0 HB3 LEU A 49 -22.313 -47.809 -44.607 1.00100.00 H new ATOM 0 HG LEU A 49 -20.246 -45.594 -44.855 1.00100.00 H new ATOM 0 HD11 LEU A 49 -18.797 -47.260 -43.666 1.00100.00 H new ATOM 0 HD12 LEU A 49 -20.235 -46.850 -42.700 1.00100.00 H new ATOM 0 HD13 LEU A 49 -20.173 -48.387 -43.595 1.00100.00 H new ATOM 0 HD21 LEU A 49 -18.880 -47.217 -46.123 1.00100.00 H new ATOM 0 HD22 LEU A 49 -20.233 -48.373 -46.095 1.00100.00 H new ATOM 0 HD23 LEU A 49 -20.396 -46.832 -46.972 1.00100.00 H new ATOM 769 N LEU A 50 -24.861 -45.289 -45.247 1.00100.00 N ATOM 770 CA LEU A 50 -26.297 -45.228 -45.064 1.00100.00 C ATOM 771 C LEU A 50 -26.993 -45.184 -46.400 1.00100.00 C ATOM 772 O LEU A 50 -27.996 -45.873 -46.597 1.00100.00 O ATOM 773 CB LEU A 50 -26.752 -43.979 -44.273 1.00100.00 C ATOM 774 CG LEU A 50 -26.323 -44.057 -42.806 1.00100.00 C ATOM 775 CD1 LEU A 50 -26.545 -42.698 -42.142 1.00100.00 C ATOM 776 CD2 LEU A 50 -27.136 -45.113 -42.058 1.00100.00 C ATOM 0 H LEU A 50 -24.371 -44.484 -44.856 1.00100.00 H new ATOM 0 HA LEU A 50 -26.562 -46.122 -44.500 1.00100.00 H new ATOM 0 HB2 LEU A 50 -26.329 -43.084 -44.730 1.00100.00 H new ATOM 0 HB3 LEU A 50 -27.836 -43.885 -44.332 1.00100.00 H new ATOM 0 HG LEU A 50 -25.269 -44.331 -42.768 1.00100.00 H new ATOM 0 HD11 LEU A 50 -26.240 -42.750 -41.097 1.00100.00 H new ATOM 0 HD12 LEU A 50 -25.952 -41.941 -42.656 1.00100.00 H new ATOM 0 HD13 LEU A 50 -27.601 -42.433 -42.200 1.00100.00 H new ATOM 0 HD21 LEU A 50 -26.814 -45.151 -41.017 1.00100.00 H new ATOM 0 HD22 LEU A 50 -28.194 -44.855 -42.101 1.00100.00 H new ATOM 0 HD23 LEU A 50 -26.981 -46.087 -42.521 1.00100.00 H new HETATM 788 N TPO A 51 -26.447 -44.384 -47.351 1.00100.00 N HETATM 789 CA TPO A 51 -26.985 -44.223 -48.681 1.00100.00 C HETATM 790 CB TPO A 51 -26.338 -43.053 -49.404 1.00100.00 C HETATM 791 CG2 TPO A 51 -24.863 -43.335 -49.691 1.00100.00 C HETATM 792 OG1 TPO A 51 -27.008 -42.835 -50.627 1.00100.00 O HETATM 793 P TPO A 51 -28.540 -42.506 -50.313 1.00100.00 P HETATM 794 O1P TPO A 51 -28.618 -41.354 -49.510 1.00 0.00 O HETATM 795 O2P TPO A 51 -29.229 -42.285 -51.519 1.00 0.00 O HETATM 796 O3P TPO A 51 -29.122 -43.591 -49.633 1.00 0.00 O HETATM 797 C TPO A 51 -26.755 -45.503 -49.453 1.00100.00 C HETATM 798 O TPO A 51 -25.709 -46.145 -49.321 1.00100.00 O HETATM 0 HG23 TPO A 51 -24.335 -43.501 -48.752 1.00100.00 H new HETATM 0 HG22 TPO A 51 -24.777 -44.223 -50.317 1.00100.00 H new HETATM 0 HG21 TPO A 51 -24.424 -42.482 -50.209 1.00100.00 H new HETATM 0 HB TPO A 51 -26.409 -42.172 -48.766 1.00100.00 H new HETATM 0 HA TPO A 51 -28.052 -44.012 -48.608 1.00100.00 H new HETATM 0 H TPO A 51 -25.724 -43.749 -47.013 1.00100.00 H new ATOM 805 N ASP A 52 -27.762 -45.902 -50.267 1.00100.00 N ATOM 806 CA ASP A 52 -27.692 -47.093 -51.078 1.00100.00 C ATOM 807 C ASP A 52 -26.738 -46.855 -52.213 1.00100.00 C ATOM 808 O ASP A 52 -26.788 -45.813 -52.873 1.00100.00 O ATOM 809 CB ASP A 52 -29.056 -47.532 -51.670 1.00100.00 C ATOM 810 CG ASP A 52 -30.076 -47.778 -50.565 1.00100.00 C ATOM 811 OD1 ASP A 52 -29.676 -48.371 -49.541 1.00100.00 O ATOM 812 OD2 ASP A 52 -31.238 -47.364 -50.765 1.00100.00 O ATOM 0 H ASP A 52 -28.639 -45.390 -50.364 1.00100.00 H new ATOM 0 HA ASP A 52 -27.357 -47.895 -50.420 1.00100.00 H new ATOM 0 HB2 ASP A 52 -29.427 -46.763 -52.348 1.00100.00 H new ATOM 0 HB3 ASP A 52 -28.926 -48.440 -52.259 1.00100.00 H new ATOM 817 N GLY A 53 -25.839 -47.833 -52.446 1.00100.00 N ATOM 818 CA GLY A 53 -24.851 -47.745 -53.489 1.00100.00 C ATOM 819 C GLY A 53 -23.869 -48.863 -53.338 1.00100.00 C ATOM 820 O GLY A 53 -24.147 -49.878 -52.693 1.00100.00 O ATOM 0 H GLY A 53 -25.795 -48.697 -51.905 1.00100.00 H new ATOM 0 HA2 GLY A 53 -25.332 -47.798 -54.466 1.00100.00 H new ATOM 0 HA3 GLY A 53 -24.337 -46.785 -53.438 1.00100.00 H new ATOM 824 N GLU A 54 -22.690 -48.686 -53.974 1.00100.00 N ATOM 825 CA GLU A 54 -21.607 -49.637 -53.955 1.00100.00 C ATOM 826 C GLU A 54 -21.005 -49.738 -52.579 1.00100.00 C ATOM 827 O GLU A 54 -21.007 -48.776 -51.809 1.00100.00 O ATOM 828 CB GLU A 54 -20.489 -49.322 -54.971 1.00100.00 C ATOM 829 CG GLU A 54 -20.975 -49.219 -56.417 1.00100.00 C ATOM 830 CD GLU A 54 -21.589 -47.860 -56.744 1.00100.00 C ATOM 831 OE1 GLU A 54 -21.467 -46.944 -55.902 1.00100.00 O ATOM 832 OE2 GLU A 54 -22.158 -47.758 -57.852 1.00100.00 O ATOM 0 H GLU A 54 -22.481 -47.851 -54.522 1.00100.00 H new ATOM 0 HA GLU A 54 -22.053 -50.589 -54.245 1.00100.00 H new ATOM 0 HB2 GLU A 54 -20.012 -48.383 -54.691 1.00100.00 H new ATOM 0 HB3 GLU A 54 -19.726 -50.098 -54.909 1.00100.00 H new ATOM 0 HG2 GLU A 54 -20.138 -49.405 -57.090 1.00100.00 H new ATOM 0 HG3 GLU A 54 -21.713 -49.999 -56.603 1.00100.00 H new ATOM 839 N ASP A 55 -20.503 -50.951 -52.248 1.00100.00 N ATOM 840 CA ASP A 55 -19.909 -51.268 -50.973 1.00100.00 C ATOM 841 C ASP A 55 -18.679 -50.476 -50.672 1.00100.00 C ATOM 842 O ASP A 55 -18.547 -49.979 -49.551 1.00100.00 O ATOM 843 CB ASP A 55 -19.521 -52.760 -50.836 1.00100.00 C ATOM 844 CG ASP A 55 -20.740 -53.662 -50.987 1.00100.00 C ATOM 845 OD1 ASP A 55 -21.816 -53.256 -50.497 1.00100.00 O ATOM 846 OD2 ASP A 55 -20.574 -54.745 -51.589 1.00100.00 O ATOM 0 H ASP A 55 -20.511 -51.741 -52.893 1.00100.00 H new ATOM 0 HA ASP A 55 -20.698 -51.013 -50.265 1.00100.00 H new ATOM 0 HB2 ASP A 55 -18.779 -53.017 -51.592 1.00100.00 H new ATOM 0 HB3 ASP A 55 -19.057 -52.930 -49.864 1.00100.00 H new ATOM 851 N ASP A 56 -17.779 -50.318 -51.672 1.00100.00 N ATOM 852 CA ASP A 56 -16.556 -49.591 -51.462 1.00100.00 C ATOM 853 C ASP A 56 -16.415 -48.541 -52.523 1.00100.00 C ATOM 854 O ASP A 56 -17.047 -48.602 -53.578 1.00100.00 O ATOM 855 CB ASP A 56 -15.281 -50.465 -51.557 1.00100.00 C ATOM 856 CG ASP A 56 -15.283 -51.538 -50.477 1.00100.00 C ATOM 857 OD1 ASP A 56 -15.303 -51.148 -49.290 1.00100.00 O ATOM 858 OD2 ASP A 56 -15.267 -52.728 -50.858 1.00100.00 O ATOM 0 H ASP A 56 -17.897 -50.689 -52.615 1.00100.00 H new ATOM 0 HA ASP A 56 -16.630 -49.184 -50.454 1.00100.00 H new ATOM 0 HB2 ASP A 56 -15.226 -50.932 -52.540 1.00100.00 H new ATOM 0 HB3 ASP A 56 -14.396 -49.838 -51.452 1.00100.00 H new ATOM 863 N VAL A 57 -15.570 -47.528 -52.224 1.00100.00 N ATOM 864 CA VAL A 57 -15.263 -46.405 -53.082 1.00100.00 C ATOM 865 C VAL A 57 -14.571 -46.906 -54.334 1.00100.00 C ATOM 866 O VAL A 57 -14.840 -46.425 -55.435 1.00100.00 O ATOM 867 CB VAL A 57 -14.423 -45.370 -52.337 1.00100.00 C ATOM 868 CG1 VAL A 57 -14.061 -44.213 -53.269 1.00100.00 C ATOM 869 CG2 VAL A 57 -15.214 -44.823 -51.149 1.00100.00 C ATOM 0 H VAL A 57 -15.072 -47.487 -51.335 1.00100.00 H new ATOM 0 HA VAL A 57 -16.186 -45.906 -53.378 1.00100.00 H new ATOM 0 HB VAL A 57 -13.510 -45.850 -51.985 1.00100.00 H new ATOM 0 HG11 VAL A 57 -13.462 -43.482 -52.726 1.00100.00 H new ATOM 0 HG12 VAL A 57 -13.489 -44.593 -54.116 1.00100.00 H new ATOM 0 HG13 VAL A 57 -14.973 -43.738 -53.631 1.00100.00 H new ATOM 0 HG21 VAL A 57 -14.612 -44.085 -50.620 1.00100.00 H new ATOM 0 HG22 VAL A 57 -16.131 -44.354 -51.507 1.00100.00 H new ATOM 0 HG23 VAL A 57 -15.465 -45.640 -50.472 1.00100.00 H new ATOM 879 N PHE A 58 -13.666 -47.894 -54.169 1.00100.00 N ATOM 880 CA PHE A 58 -12.904 -48.516 -55.220 1.00100.00 C ATOM 881 C PHE A 58 -13.731 -49.331 -56.177 1.00100.00 C ATOM 882 O PHE A 58 -13.334 -49.471 -57.334 1.00100.00 O ATOM 883 CB PHE A 58 -11.827 -49.467 -54.664 1.00100.00 C ATOM 884 CG PHE A 58 -10.831 -48.770 -53.769 1.00100.00 C ATOM 885 CD1 PHE A 58 -11.123 -48.579 -52.412 1.00100.00 C ATOM 886 CD2 PHE A 58 -9.624 -48.298 -54.301 1.00100.00 C ATOM 887 CE1 PHE A 58 -10.206 -47.915 -51.586 1.00100.00 C ATOM 888 CE2 PHE A 58 -8.706 -47.635 -53.475 1.00100.00 C ATOM 889 CZ PHE A 58 -8.997 -47.443 -52.117 1.00100.00 C ATOM 0 H PHE A 58 -13.453 -48.282 -53.250 1.00100.00 H new ATOM 0 HA PHE A 58 -12.462 -47.671 -55.749 1.00100.00 H new ATOM 0 HB2 PHE A 58 -12.311 -50.268 -54.105 1.00100.00 H new ATOM 0 HB3 PHE A 58 -11.297 -49.933 -55.495 1.00100.00 H new ATOM 0 HD1 PHE A 58 -12.054 -48.943 -52.003 1.00100.00 H new ATOM 0 HD2 PHE A 58 -9.401 -48.445 -55.347 1.00100.00 H new ATOM 0 HE1 PHE A 58 -10.431 -47.767 -50.540 1.00100.00 H new ATOM 0 HE2 PHE A 58 -7.775 -47.272 -53.884 1.00100.00 H new ATOM 0 HZ PHE A 58 -8.290 -46.932 -51.480 1.00100.00 H new ATOM 899 N ASP A 59 -14.899 -49.864 -55.724 1.00100.00 N ATOM 900 CA ASP A 59 -15.736 -50.724 -56.534 1.00100.00 C ATOM 901 C ASP A 59 -16.262 -50.149 -57.832 1.00100.00 C ATOM 902 O ASP A 59 -16.100 -50.841 -58.841 1.00100.00 O ATOM 903 CB ASP A 59 -16.941 -51.317 -55.747 1.00100.00 C ATOM 904 CG ASP A 59 -16.487 -52.263 -54.643 1.00100.00 C ATOM 905 OD1 ASP A 59 -15.337 -52.746 -54.730 1.00100.00 O ATOM 906 OD2 ASP A 59 -17.310 -52.495 -53.731 1.00100.00 O ATOM 0 H ASP A 59 -15.265 -49.696 -54.787 1.00100.00 H new ATOM 0 HA ASP A 59 -15.023 -51.502 -56.807 1.00100.00 H new ATOM 0 HB2 ASP A 59 -17.526 -50.506 -55.313 1.00100.00 H new ATOM 0 HB3 ASP A 59 -17.597 -51.850 -56.435 1.00100.00 H new ATOM 911 N PRO A 60 -16.860 -48.914 -57.912 1.00100.00 N ATOM 912 CA PRO A 60 -17.330 -48.392 -59.172 1.00100.00 C ATOM 913 C PRO A 60 -16.198 -48.057 -60.099 1.00100.00 C ATOM 914 O PRO A 60 -15.182 -47.533 -59.635 1.00100.00 O ATOM 915 CB PRO A 60 -18.223 -47.197 -58.844 1.00100.00 C ATOM 916 CG PRO A 60 -17.672 -46.744 -57.488 1.00100.00 C ATOM 917 CD PRO A 60 -17.240 -48.049 -56.818 1.00100.00 C ATOM 0 HA PRO A 60 -17.905 -49.139 -59.718 1.00100.00 H new ATOM 0 HB2 PRO A 60 -18.147 -46.413 -59.597 1.00100.00 H new ATOM 0 HB3 PRO A 60 -19.274 -47.479 -58.783 1.00100.00 H new ATOM 0 HG2 PRO A 60 -16.833 -46.058 -57.606 1.00100.00 H new ATOM 0 HG3 PRO A 60 -18.430 -46.224 -56.901 1.00100.00 H new ATOM 0 HD2 PRO A 60 -16.407 -47.886 -56.134 1.00100.00 H new ATOM 0 HD3 PRO A 60 -18.052 -48.482 -56.234 1.00100.00 H new ATOM 925 N ASP A 61 -16.386 -48.362 -61.406 1.00100.00 N ATOM 926 CA ASP A 61 -15.455 -48.123 -62.486 1.00100.00 C ATOM 927 C ASP A 61 -14.082 -48.695 -62.206 1.00100.00 C ATOM 928 O ASP A 61 -13.058 -48.063 -62.489 1.00100.00 O ATOM 929 CB ASP A 61 -15.354 -46.615 -62.867 1.00100.00 C ATOM 930 CG ASP A 61 -16.719 -46.054 -63.243 1.00100.00 C ATOM 931 OD1 ASP A 61 -17.358 -46.660 -64.130 1.00100.00 O ATOM 932 OD2 ASP A 61 -17.098 -45.028 -62.637 1.00100.00 O ATOM 0 H ASP A 61 -17.245 -48.805 -61.731 1.00100.00 H new ATOM 0 HA ASP A 61 -15.865 -48.653 -63.345 1.00100.00 H new ATOM 0 HB2 ASP A 61 -14.944 -46.051 -62.029 1.00100.00 H new ATOM 0 HB3 ASP A 61 -14.664 -46.493 -63.702 1.00100.00 H new ATOM 937 N LEU A 62 -14.031 -49.927 -61.645 1.00100.00 N ATOM 938 CA LEU A 62 -12.774 -50.552 -61.322 1.00100.00 C ATOM 939 C LEU A 62 -12.354 -51.342 -62.530 1.00100.00 C ATOM 940 O LEU A 62 -13.101 -52.193 -63.023 1.00100.00 O ATOM 941 CB LEU A 62 -12.854 -51.465 -60.077 1.00100.00 C ATOM 942 CG LEU A 62 -11.489 -52.049 -59.706 1.00100.00 C ATOM 943 CD1 LEU A 62 -10.526 -50.949 -59.259 1.00100.00 C ATOM 944 CD2 LEU A 62 -11.673 -53.044 -58.561 1.00100.00 C ATOM 0 H LEU A 62 -14.853 -50.486 -61.417 1.00100.00 H new ATOM 0 HA LEU A 62 -12.045 -49.781 -61.071 1.00100.00 H new ATOM 0 HB2 LEU A 62 -13.246 -50.895 -59.234 1.00100.00 H new ATOM 0 HB3 LEU A 62 -13.556 -52.277 -60.267 1.00100.00 H new ATOM 0 HG LEU A 62 -11.070 -52.543 -60.583 1.00100.00 H new ATOM 0 HD11 LEU A 62 -9.564 -51.391 -59.001 1.00100.00 H new ATOM 0 HD12 LEU A 62 -10.391 -50.232 -60.069 1.00100.00 H new ATOM 0 HD13 LEU A 62 -10.936 -50.438 -58.388 1.00100.00 H new ATOM 0 HD21 LEU A 62 -10.706 -53.467 -58.288 1.00100.00 H new ATOM 0 HD22 LEU A 62 -12.102 -52.532 -57.699 1.00100.00 H new ATOM 0 HD23 LEU A 62 -12.342 -53.844 -58.878 1.00100.00 H new ATOM 956 N ASP A 63 -11.130 -51.045 -63.024 1.00100.00 N ATOM 957 CA ASP A 63 -10.570 -51.678 -64.187 1.00100.00 C ATOM 958 C ASP A 63 -9.544 -52.650 -63.682 1.00100.00 C ATOM 959 O ASP A 63 -8.690 -52.310 -62.857 1.00100.00 O ATOM 960 CB ASP A 63 -9.896 -50.667 -65.155 1.00100.00 C ATOM 961 CG ASP A 63 -9.251 -51.390 -66.330 1.00100.00 C ATOM 962 OD1 ASP A 63 -10.016 -51.997 -67.112 1.00100.00 O ATOM 963 OD2 ASP A 63 -8.006 -51.328 -66.422 1.00100.00 O ATOM 0 H ASP A 63 -10.515 -50.348 -62.604 1.00100.00 H new ATOM 0 HA ASP A 63 -11.364 -52.161 -64.757 1.00100.00 H new ATOM 0 HB2 ASP A 63 -10.638 -49.958 -65.522 1.00100.00 H new ATOM 0 HB3 ASP A 63 -9.142 -50.091 -64.619 1.00100.00 H new ATOM 968 N MET A 64 -9.641 -53.897 -64.185 1.00100.00 N ATOM 969 CA MET A 64 -8.757 -54.967 -63.800 1.00100.00 C ATOM 970 C MET A 64 -7.842 -55.283 -64.950 1.00100.00 C ATOM 971 O MET A 64 -8.265 -55.270 -66.110 1.00100.00 O ATOM 972 CB MET A 64 -9.518 -56.262 -63.437 1.00100.00 C ATOM 973 CG MET A 64 -10.493 -56.000 -62.288 1.00100.00 C ATOM 974 SD MET A 64 -9.744 -55.285 -60.801 1.00100.00 S ATOM 975 CE MET A 64 -8.510 -56.558 -60.441 1.00100.00 C ATOM 0 H MET A 64 -10.344 -54.171 -64.871 1.00100.00 H new ATOM 0 HA MET A 64 -8.208 -54.630 -62.920 1.00100.00 H new ATOM 0 HB2 MET A 64 -10.061 -56.629 -64.308 1.00100.00 H new ATOM 0 HB3 MET A 64 -8.810 -57.040 -63.152 1.00100.00 H new ATOM 0 HG2 MET A 64 -11.276 -55.329 -62.641 1.00100.00 H new ATOM 0 HG3 MET A 64 -10.975 -56.940 -62.019 1.00100.00 H new ATOM 0 HE1 MET A 64 -8.099 -56.395 -59.445 1.00100.00 H new ATOM 0 HE2 MET A 64 -8.978 -57.541 -60.484 1.00100.00 H new ATOM 0 HE3 MET A 64 -7.708 -56.506 -61.177 1.00100.00 H new ATOM 985 N GLU A 65 -6.524 -55.388 -64.652 1.00100.00 N ATOM 986 CA GLU A 65 -5.518 -55.687 -65.640 1.00100.00 C ATOM 987 C GLU A 65 -5.147 -57.131 -65.503 1.00100.00 C ATOM 988 O GLU A 65 -4.832 -57.616 -64.411 1.00100.00 O ATOM 989 CB GLU A 65 -4.236 -54.837 -65.513 1.00100.00 C ATOM 990 CG GLU A 65 -4.568 -53.359 -65.703 1.00100.00 C ATOM 991 CD GLU A 65 -3.312 -52.505 -65.599 1.00100.00 C ATOM 992 OE1 GLU A 65 -2.637 -52.359 -66.642 1.00100.00 O ATOM 993 OE2 GLU A 65 -3.047 -52.017 -64.480 1.00100.00 O ATOM 0 H GLU A 65 -6.152 -55.263 -63.711 1.00100.00 H new ATOM 0 HA GLU A 65 -5.949 -55.453 -66.613 1.00100.00 H new ATOM 0 HB2 GLU A 65 -3.782 -54.993 -64.535 1.00100.00 H new ATOM 0 HB3 GLU A 65 -3.505 -55.153 -66.258 1.00100.00 H new ATOM 0 HG2 GLU A 65 -5.036 -53.209 -66.676 1.00100.00 H new ATOM 0 HG3 GLU A 65 -5.291 -53.044 -64.950 1.00100.00 H new ATOM 1000 N VAL A 66 -5.204 -57.856 -66.641 1.00100.00 N ATOM 1001 CA VAL A 66 -4.904 -59.263 -66.669 1.00100.00 C ATOM 1002 C VAL A 66 -3.649 -59.432 -67.489 1.00100.00 C ATOM 1003 O VAL A 66 -3.518 -58.897 -68.591 1.00100.00 O ATOM 1004 CB VAL A 66 -6.036 -60.095 -67.266 1.00100.00 C ATOM 1005 CG1 VAL A 66 -5.651 -61.573 -67.309 1.00100.00 C ATOM 1006 CG2 VAL A 66 -7.295 -59.927 -66.416 1.00100.00 C ATOM 0 H VAL A 66 -5.460 -57.466 -67.548 1.00100.00 H new ATOM 0 HA VAL A 66 -4.772 -59.621 -65.648 1.00100.00 H new ATOM 0 HB VAL A 66 -6.224 -59.750 -68.283 1.00100.00 H new ATOM 0 HG11 VAL A 66 -6.470 -62.150 -67.738 1.00100.00 H new ATOM 0 HG12 VAL A 66 -4.759 -61.699 -67.922 1.00100.00 H new ATOM 0 HG13 VAL A 66 -5.449 -61.926 -66.298 1.00100.00 H new ATOM 0 HG21 VAL A 66 -8.104 -60.521 -66.842 1.00100.00 H new ATOM 0 HG22 VAL A 66 -7.095 -60.263 -65.399 1.00100.00 H new ATOM 0 HG23 VAL A 66 -7.586 -58.877 -66.400 1.00100.00 H new ATOM 1016 N VAL A 67 -2.687 -60.174 -66.905 1.00100.00 N ATOM 1017 CA VAL A 67 -1.399 -60.503 -67.459 1.00100.00 C ATOM 1018 C VAL A 67 -1.429 -61.395 -68.678 1.00100.00 C ATOM 1019 O VAL A 67 -0.575 -61.242 -69.553 1.00100.00 O ATOM 1020 CB VAL A 67 -0.393 -61.035 -66.446 1.00100.00 C ATOM 1021 CG1 VAL A 67 -0.208 -60.000 -65.335 1.00100.00 C ATOM 1022 CG2 VAL A 67 -0.881 -62.350 -65.838 1.00100.00 C ATOM 0 H VAL A 67 -2.817 -60.575 -65.976 1.00100.00 H new ATOM 0 HA VAL A 67 -1.050 -59.526 -67.793 1.00100.00 H new ATOM 0 HB VAL A 67 0.555 -61.218 -66.953 1.00100.00 H new ATOM 0 HG11 VAL A 67 0.511 -60.374 -64.606 1.00100.00 H new ATOM 0 HG12 VAL A 67 0.161 -59.068 -65.764 1.00100.00 H new ATOM 0 HG13 VAL A 67 -1.164 -59.820 -64.843 1.00100.00 H new ATOM 0 HG21 VAL A 67 -0.148 -62.712 -65.118 1.00100.00 H new ATOM 0 HG22 VAL A 67 -1.834 -62.187 -65.335 1.00100.00 H new ATOM 0 HG23 VAL A 67 -1.010 -63.090 -66.628 1.00100.00 H new ATOM 1032 N PHE A 68 -2.403 -62.347 -68.750 1.00100.00 N ATOM 1033 CA PHE A 68 -2.550 -63.331 -69.811 1.00100.00 C ATOM 1034 C PHE A 68 -1.322 -64.207 -69.933 1.00100.00 C ATOM 1035 O PHE A 68 -0.850 -64.535 -71.026 1.00100.00 O ATOM 1036 CB PHE A 68 -2.952 -62.777 -71.213 1.00100.00 C ATOM 1037 CG PHE A 68 -4.252 -62.011 -71.195 1.00100.00 C ATOM 1038 CD1 PHE A 68 -5.472 -62.700 -71.259 1.00100.00 C ATOM 1039 CD2 PHE A 68 -4.242 -60.612 -71.109 1.00100.00 C ATOM 1040 CE1 PHE A 68 -6.679 -61.989 -71.239 1.00100.00 C ATOM 1041 CE2 PHE A 68 -5.450 -59.902 -71.089 1.00100.00 C ATOM 1042 CZ PHE A 68 -6.669 -60.591 -71.155 1.00100.00 C ATOM 0 H PHE A 68 -3.124 -62.435 -68.034 1.00100.00 H new ATOM 0 HA PHE A 68 -3.405 -63.922 -69.485 1.00100.00 H new ATOM 0 HB2 PHE A 68 -2.159 -62.127 -71.581 1.00100.00 H new ATOM 0 HB3 PHE A 68 -3.036 -63.607 -71.915 1.00100.00 H new ATOM 0 HD1 PHE A 68 -5.481 -63.778 -71.324 1.00100.00 H new ATOM 0 HD2 PHE A 68 -3.303 -60.081 -71.058 1.00100.00 H new ATOM 0 HE1 PHE A 68 -7.618 -62.520 -71.288 1.00100.00 H new ATOM 0 HE2 PHE A 68 -5.442 -58.824 -71.023 1.00100.00 H new ATOM 0 HZ PHE A 68 -7.600 -60.044 -71.141 1.00100.00 H new ATOM 1052 N GLU A 69 -0.780 -64.586 -68.747 1.00100.00 N ATOM 1053 CA GLU A 69 0.382 -65.426 -68.546 1.00100.00 C ATOM 1054 C GLU A 69 1.610 -64.897 -69.249 1.00100.00 C ATOM 1055 O GLU A 69 2.456 -65.661 -69.722 1.00100.00 O ATOM 1056 CB GLU A 69 0.136 -66.900 -68.965 1.00100.00 C ATOM 1057 CG GLU A 69 -1.048 -67.481 -68.196 1.00100.00 C ATOM 1058 CD GLU A 69 -1.280 -68.934 -68.586 1.00100.00 C ATOM 1059 OE1 GLU A 69 -1.812 -69.145 -69.698 1.00100.00 O ATOM 1060 OE2 GLU A 69 -0.921 -69.808 -67.767 1.00100.00 O ATOM 0 H GLU A 69 -1.185 -64.282 -67.862 1.00100.00 H new ATOM 0 HA GLU A 69 0.564 -65.402 -67.472 1.00100.00 H new ATOM 0 HB2 GLU A 69 -0.057 -66.953 -70.037 1.00100.00 H new ATOM 0 HB3 GLU A 69 1.030 -67.494 -68.772 1.00100.00 H new ATOM 0 HG2 GLU A 69 -0.861 -67.412 -67.124 1.00100.00 H new ATOM 0 HG3 GLU A 69 -1.944 -66.896 -68.402 1.00100.00 H new ATOM 1067 N THR A 70 1.743 -63.555 -69.306 1.00100.00 N ATOM 1068 CA THR A 70 2.867 -62.931 -69.944 1.00100.00 C ATOM 1069 C THR A 70 3.479 -62.062 -68.889 1.00100.00 C ATOM 1070 O THR A 70 2.787 -61.274 -68.237 1.00100.00 O ATOM 1071 CB THR A 70 2.462 -62.118 -71.155 1.00100.00 C ATOM 1072 OG1 THR A 70 1.814 -62.958 -72.084 1.00100.00 O ATOM 1073 CG2 THR A 70 3.695 -61.495 -71.808 1.00100.00 C ATOM 0 H THR A 70 1.069 -62.900 -68.909 1.00100.00 H new ATOM 0 HA THR A 70 3.567 -63.675 -70.324 1.00100.00 H new ATOM 0 HB THR A 70 1.787 -61.322 -70.841 1.00100.00 H new ATOM 0 HG1 THR A 70 1.549 -62.435 -72.869 1.00100.00 H new ATOM 0 HG21 THR A 70 3.391 -60.913 -72.678 1.00100.00 H new ATOM 0 HG22 THR A 70 4.196 -60.843 -71.092 1.00100.00 H new ATOM 0 HG23 THR A 70 4.379 -62.284 -72.121 1.00100.00 H new ATOM 1081 N GLN A 71 4.802 -62.234 -68.679 1.00100.00 N ATOM 1082 CA GLN A 71 5.533 -61.475 -67.705 1.00100.00 C ATOM 1083 C GLN A 71 6.732 -60.905 -68.478 1.00100.00 C ATOM 1084 O GLN A 71 6.466 -60.003 -69.313 1.00100.00 O ATOM 1085 CB GLN A 71 5.993 -62.316 -66.479 1.00100.00 C ATOM 1086 CG GLN A 71 4.798 -62.834 -65.682 1.00100.00 C ATOM 1087 CD GLN A 71 4.031 -61.687 -65.040 1.00100.00 C ATOM 1088 OE1 GLN A 71 2.717 -61.647 -65.267 1.00100.00 O flip ATOM 1089 NE2 GLN A 71 4.614 -60.854 -64.352 1.00100.00 N flip ATOM 1090 OXT GLN A 71 7.857 -61.382 -68.213 1.00100.00 O ATOM 0 H GLN A 71 5.371 -62.908 -69.192 1.00100.00 H new ATOM 0 HA GLN A 71 4.904 -60.700 -67.267 1.00100.00 H new ATOM 0 HB2 GLN A 71 6.598 -63.156 -66.818 1.00100.00 H new ATOM 0 HB3 GLN A 71 6.626 -61.707 -65.834 1.00100.00 H new ATOM 0 HG2 GLN A 71 4.135 -63.397 -66.339 1.00100.00 H new ATOM 0 HG3 GLN A 71 5.142 -63.523 -64.910 1.00100.00 H new ATOM 0 HE21 GLN A 71 5.621 -60.927 -64.207 1.00100.00 H new ATOM 0 HE22 GLN A 71 4.091 -60.089 -63.925 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