USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 562 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 26 HIS HE2 : A 26 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 30 HIS HE2 : A 30 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 57 HIS HE2 : A 57 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 62 HIS HE2 : A 62 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 20 LYS NZ :NH3+ 146:sc= -0.174 (180deg=-0.899) USER MOD Set 1.2: A 24 ASN : amide:sc= -0.514 X(o=-0.69,f=-0.2) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 9:sc= 0.607 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 24:sc= 0.354 USER MOD Single : A 9 GLN : amide:sc= -3.19! K(o=-3.2!,f=-1.6) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 140:sc= -2.58 USER MOD Single : A 19 GLN : amide:sc= -0.317 K(o=-0.32,f=-1.7!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.0976 K(o=-0.098,f=-1.5) USER MOD Single : A 29 LYS NZ :NH3+ -136:sc= -0.091 (180deg=-0.493) USER MOD Single : A 33 THR OG1 : rot 70:sc= 0.689 USER MOD Single : A 46 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0184) USER MOD Single : A 50 LYS NZ :NH3+ 149:sc= 0.448 (180deg=-0.7) USER MOD Single : A 53 SER OG : rot 180:sc= -0.198 USER MOD Single : A 59 SER OG : rot -36:sc= 0.242 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 139:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.143 K(o=-0.14,f=-1.4!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= -0.0043 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -47:sc= 0.878 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.128 -29.014 12.655 1.00 0.00 N ATOM 2 CA GLY A 1 -18.590 -27.697 12.369 1.00 0.00 C ATOM 3 C GLY A 1 -19.663 -26.627 12.338 1.00 0.00 C ATOM 4 O GLY A 1 -20.692 -26.789 11.682 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.355 -29.710 12.665 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.597 -29.003 13.583 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.818 -29.274 11.922 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.846 -27.440 13.123 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.075 -27.719 11.409 1.00 0.00 H new ATOM 8 N SER A 2 -19.425 -25.531 13.051 1.00 0.00 N ATOM 9 CA SER A 2 -20.382 -24.432 13.107 1.00 0.00 C ATOM 10 C SER A 2 -19.977 -23.310 12.157 1.00 0.00 C ATOM 11 O SER A 2 -18.866 -23.301 11.626 1.00 0.00 O ATOM 12 CB SER A 2 -20.489 -23.893 14.535 1.00 0.00 C ATOM 13 OG SER A 2 -20.779 -24.934 15.452 1.00 0.00 O ATOM 0 H SER A 2 -18.577 -25.380 13.598 1.00 0.00 H new ATOM 0 HA SER A 2 -21.355 -24.814 12.797 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.554 -23.407 14.815 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.270 -23.134 14.583 1.00 0.00 H new ATOM 0 HG SER A 2 -20.841 -24.564 16.358 1.00 0.00 H new ATOM 19 N SER A 3 -20.886 -22.363 11.947 1.00 0.00 N ATOM 20 CA SER A 3 -20.626 -21.237 11.058 1.00 0.00 C ATOM 21 C SER A 3 -21.480 -20.033 11.442 1.00 0.00 C ATOM 22 O SER A 3 -22.695 -20.145 11.603 1.00 0.00 O ATOM 23 CB SER A 3 -20.904 -21.631 9.606 1.00 0.00 C ATOM 24 OG SER A 3 -19.899 -22.499 9.112 1.00 0.00 O ATOM 0 H SER A 3 -21.809 -22.353 12.381 1.00 0.00 H new ATOM 0 HA SER A 3 -19.576 -20.963 11.158 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.876 -22.119 9.538 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.953 -20.736 8.986 1.00 0.00 H new ATOM 0 HG SER A 3 -19.317 -22.779 9.849 1.00 0.00 H new ATOM 30 N GLY A 4 -20.834 -18.879 11.589 1.00 0.00 N ATOM 31 CA GLY A 4 -21.549 -17.670 11.954 1.00 0.00 C ATOM 32 C GLY A 4 -20.618 -16.504 12.218 1.00 0.00 C ATOM 33 O GLY A 4 -20.801 -15.762 13.183 1.00 0.00 O ATOM 0 H GLY A 4 -19.829 -18.761 11.462 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.241 -17.405 11.154 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.149 -17.861 12.844 1.00 0.00 H new ATOM 37 N SER A 5 -19.615 -16.342 11.361 1.00 0.00 N ATOM 38 CA SER A 5 -18.648 -15.261 11.510 1.00 0.00 C ATOM 39 C SER A 5 -18.016 -14.909 10.167 1.00 0.00 C ATOM 40 O SER A 5 -17.664 -15.791 9.384 1.00 0.00 O ATOM 41 CB SER A 5 -17.561 -15.656 12.511 1.00 0.00 C ATOM 42 OG SER A 5 -16.684 -16.622 11.957 1.00 0.00 O ATOM 0 H SER A 5 -19.451 -16.946 10.556 1.00 0.00 H new ATOM 0 HA SER A 5 -19.175 -14.383 11.885 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.995 -14.772 12.805 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.022 -16.055 13.415 1.00 0.00 H new ATOM 0 HG SER A 5 -15.997 -16.856 12.616 1.00 0.00 H new ATOM 48 N SER A 6 -17.874 -13.613 9.909 1.00 0.00 N ATOM 49 CA SER A 6 -17.288 -13.142 8.659 1.00 0.00 C ATOM 50 C SER A 6 -16.717 -11.737 8.823 1.00 0.00 C ATOM 51 O SER A 6 -17.413 -10.818 9.254 1.00 0.00 O ATOM 52 CB SER A 6 -18.335 -13.153 7.544 1.00 0.00 C ATOM 53 OG SER A 6 -19.310 -12.146 7.750 1.00 0.00 O ATOM 0 H SER A 6 -18.157 -12.870 10.549 1.00 0.00 H new ATOM 0 HA SER A 6 -16.475 -13.817 8.390 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.847 -13.000 6.581 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.819 -14.129 7.505 1.00 0.00 H new ATOM 0 HG SER A 6 -18.933 -11.435 8.310 1.00 0.00 H new ATOM 59 N GLY A 7 -15.444 -11.577 8.475 1.00 0.00 N ATOM 60 CA GLY A 7 -14.799 -10.282 8.590 1.00 0.00 C ATOM 61 C GLY A 7 -14.596 -9.614 7.244 1.00 0.00 C ATOM 62 O GLY A 7 -14.248 -10.272 6.263 1.00 0.00 O ATOM 0 H GLY A 7 -14.847 -12.322 8.115 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.402 -9.634 9.226 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.834 -10.403 9.082 1.00 0.00 H new ATOM 66 N LEU A 8 -14.813 -8.305 7.196 1.00 0.00 N ATOM 67 CA LEU A 8 -14.653 -7.547 5.960 1.00 0.00 C ATOM 68 C LEU A 8 -13.179 -7.274 5.676 1.00 0.00 C ATOM 69 O LEU A 8 -12.355 -7.256 6.590 1.00 0.00 O ATOM 70 CB LEU A 8 -15.422 -6.227 6.044 1.00 0.00 C ATOM 71 CG LEU A 8 -16.886 -6.330 6.472 1.00 0.00 C ATOM 72 CD1 LEU A 8 -17.316 -5.072 7.211 1.00 0.00 C ATOM 73 CD2 LEU A 8 -17.779 -6.571 5.263 1.00 0.00 C ATOM 0 H LEU A 8 -15.100 -7.746 7.999 1.00 0.00 H new ATOM 0 HA LEU A 8 -15.057 -8.143 5.142 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -14.904 -5.572 6.745 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -15.383 -5.744 5.068 1.00 0.00 H new ATOM 0 HG LEU A 8 -16.988 -7.178 7.150 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -18.361 -5.164 7.508 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -16.697 -4.942 8.098 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -17.199 -4.208 6.557 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -18.818 -6.642 5.586 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -17.673 -5.744 4.561 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -17.487 -7.501 4.774 1.00 0.00 H new ATOM 85 N GLN A 9 -12.857 -7.059 4.405 1.00 0.00 N ATOM 86 CA GLN A 9 -11.483 -6.784 4.002 1.00 0.00 C ATOM 87 C GLN A 9 -11.407 -5.521 3.151 1.00 0.00 C ATOM 88 O GLN A 9 -11.964 -5.464 2.054 1.00 0.00 O ATOM 89 CB GLN A 9 -10.910 -7.971 3.226 1.00 0.00 C ATOM 90 CG GLN A 9 -9.420 -7.855 2.949 1.00 0.00 C ATOM 91 CD GLN A 9 -8.572 -8.448 4.056 1.00 0.00 C ATOM 92 OE1 GLN A 9 -8.715 -9.621 4.402 1.00 0.00 O ATOM 93 NE2 GLN A 9 -7.682 -7.639 4.619 1.00 0.00 N ATOM 0 H GLN A 9 -13.528 -7.070 3.637 1.00 0.00 H new ATOM 0 HA GLN A 9 -10.891 -6.628 4.904 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -11.096 -8.886 3.788 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -11.441 -8.065 2.279 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -9.189 -8.358 2.010 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -9.159 -6.805 2.820 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.597 -6.674 4.301 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.083 -7.983 5.370 1.00 0.00 H new ATOM 102 N CYS A 10 -10.715 -4.509 3.664 1.00 0.00 N ATOM 103 CA CYS A 10 -10.567 -3.245 2.952 1.00 0.00 C ATOM 104 C CYS A 10 -9.815 -3.445 1.640 1.00 0.00 C ATOM 105 O CYS A 10 -8.644 -3.825 1.636 1.00 0.00 O ATOM 106 CB CYS A 10 -9.830 -2.227 3.826 1.00 0.00 C ATOM 107 SG CYS A 10 -9.698 -0.569 3.084 1.00 0.00 S ATOM 0 H CYS A 10 -10.248 -4.540 4.570 1.00 0.00 H new ATOM 0 HA CYS A 10 -11.563 -2.865 2.725 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -10.345 -2.145 4.783 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -8.828 -2.601 4.034 1.00 0.00 H new ATOM 112 N GLU A 11 -10.496 -3.185 0.528 1.00 0.00 N ATOM 113 CA GLU A 11 -9.891 -3.337 -0.790 1.00 0.00 C ATOM 114 C GLU A 11 -9.059 -2.110 -1.152 1.00 0.00 C ATOM 115 O GLU A 11 -8.590 -1.977 -2.282 1.00 0.00 O ATOM 116 CB GLU A 11 -10.973 -3.563 -1.848 1.00 0.00 C ATOM 117 CG GLU A 11 -11.715 -2.296 -2.241 1.00 0.00 C ATOM 118 CD GLU A 11 -12.537 -2.469 -3.503 1.00 0.00 C ATOM 119 OE1 GLU A 11 -13.222 -3.505 -3.627 1.00 0.00 O ATOM 120 OE2 GLU A 11 -12.495 -1.568 -4.367 1.00 0.00 O ATOM 0 H GLU A 11 -11.466 -2.869 0.514 1.00 0.00 H new ATOM 0 HA GLU A 11 -9.233 -4.205 -0.762 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.515 -3.996 -2.737 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.690 -4.292 -1.472 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -12.370 -1.995 -1.424 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.997 -1.489 -2.388 1.00 0.00 H new ATOM 127 N ILE A 12 -8.881 -1.218 -0.184 1.00 0.00 N ATOM 128 CA ILE A 12 -8.105 -0.003 -0.400 1.00 0.00 C ATOM 129 C ILE A 12 -6.661 -0.184 0.056 1.00 0.00 C ATOM 130 O ILE A 12 -5.723 0.060 -0.704 1.00 0.00 O ATOM 131 CB ILE A 12 -8.720 1.198 0.344 1.00 0.00 C ATOM 132 CG1 ILE A 12 -10.191 1.365 -0.040 1.00 0.00 C ATOM 133 CG2 ILE A 12 -7.939 2.467 0.039 1.00 0.00 C ATOM 134 CD1 ILE A 12 -10.399 1.713 -1.498 1.00 0.00 C ATOM 0 H ILE A 12 -9.263 -1.313 0.757 1.00 0.00 H new ATOM 0 HA ILE A 12 -8.123 0.196 -1.472 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.664 1.010 1.416 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -10.724 0.441 0.184 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -10.633 2.146 0.578 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.386 3.306 0.572 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.904 2.343 0.359 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -7.966 2.662 -1.033 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -11.465 1.816 -1.699 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -9.895 2.653 -1.723 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.987 0.921 -2.123 1.00 0.00 H new ATOM 146 N CYS A 13 -6.489 -0.615 1.301 1.00 0.00 N ATOM 147 CA CYS A 13 -5.160 -0.831 1.860 1.00 0.00 C ATOM 148 C CYS A 13 -4.939 -2.306 2.184 1.00 0.00 C ATOM 149 O CYS A 13 -3.846 -2.837 1.994 1.00 0.00 O ATOM 150 CB CYS A 13 -4.970 0.013 3.121 1.00 0.00 C ATOM 151 SG CYS A 13 -6.104 -0.416 4.481 1.00 0.00 S ATOM 0 H CYS A 13 -7.254 -0.822 1.943 1.00 0.00 H new ATOM 0 HA CYS A 13 -4.426 -0.527 1.114 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -3.943 -0.099 3.469 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -5.107 1.064 2.866 1.00 0.00 H new ATOM 156 N GLY A 14 -5.987 -2.962 2.674 1.00 0.00 N ATOM 157 CA GLY A 14 -5.888 -4.368 3.017 1.00 0.00 C ATOM 158 C GLY A 14 -6.208 -4.634 4.474 1.00 0.00 C ATOM 159 O GLY A 14 -5.878 -5.694 5.006 1.00 0.00 O ATOM 0 H GLY A 14 -6.903 -2.544 2.839 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.570 -4.941 2.388 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.880 -4.722 2.799 1.00 0.00 H new ATOM 163 N PHE A 15 -6.851 -3.669 5.123 1.00 0.00 N ATOM 164 CA PHE A 15 -7.213 -3.802 6.529 1.00 0.00 C ATOM 165 C PHE A 15 -8.403 -4.743 6.697 1.00 0.00 C ATOM 166 O PHE A 15 -8.955 -5.246 5.718 1.00 0.00 O ATOM 167 CB PHE A 15 -7.543 -2.432 7.125 1.00 0.00 C ATOM 168 CG PHE A 15 -7.376 -2.371 8.616 1.00 0.00 C ATOM 169 CD1 PHE A 15 -6.114 -2.413 9.188 1.00 0.00 C ATOM 170 CD2 PHE A 15 -8.480 -2.273 9.447 1.00 0.00 C ATOM 171 CE1 PHE A 15 -5.957 -2.356 10.560 1.00 0.00 C ATOM 172 CE2 PHE A 15 -8.329 -2.216 10.820 1.00 0.00 C ATOM 173 CZ PHE A 15 -7.066 -2.259 11.377 1.00 0.00 C ATOM 0 H PHE A 15 -7.132 -2.786 4.697 1.00 0.00 H new ATOM 0 HA PHE A 15 -6.360 -4.225 7.060 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -6.902 -1.680 6.665 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -8.571 -2.173 6.872 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -5.243 -2.491 8.554 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -9.470 -2.241 9.017 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -4.968 -2.387 10.993 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -9.198 -2.138 11.456 1.00 0.00 H new ATOM 0 HZ PHE A 15 -6.946 -2.217 12.449 1.00 0.00 H new ATOM 183 N THR A 16 -8.794 -4.976 7.946 1.00 0.00 N ATOM 184 CA THR A 16 -9.916 -5.856 8.244 1.00 0.00 C ATOM 185 C THR A 16 -10.730 -5.330 9.421 1.00 0.00 C ATOM 186 O THR A 16 -10.172 -4.852 10.409 1.00 0.00 O ATOM 187 CB THR A 16 -9.440 -7.286 8.562 1.00 0.00 C ATOM 188 OG1 THR A 16 -8.194 -7.242 9.267 1.00 0.00 O ATOM 189 CG2 THR A 16 -9.278 -8.099 7.286 1.00 0.00 C ATOM 0 H THR A 16 -8.349 -4.567 8.768 1.00 0.00 H new ATOM 0 HA THR A 16 -10.544 -5.880 7.353 1.00 0.00 H new ATOM 0 HB THR A 16 -10.194 -7.766 9.186 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.899 -8.155 9.467 1.00 0.00 H new ATOM 0 HG21 THR A 16 -8.941 -9.105 7.536 1.00 0.00 H new ATOM 0 HG22 THR A 16 -10.235 -8.155 6.766 1.00 0.00 H new ATOM 0 HG23 THR A 16 -8.542 -7.620 6.640 1.00 0.00 H new ATOM 197 N CYS A 17 -12.050 -5.423 9.310 1.00 0.00 N ATOM 198 CA CYS A 17 -12.941 -4.956 10.366 1.00 0.00 C ATOM 199 C CYS A 17 -14.271 -5.702 10.325 1.00 0.00 C ATOM 200 O CYS A 17 -14.968 -5.693 9.310 1.00 0.00 O ATOM 201 CB CYS A 17 -13.182 -3.452 10.231 1.00 0.00 C ATOM 202 SG CYS A 17 -13.510 -2.612 11.798 1.00 0.00 S ATOM 0 H CYS A 17 -12.527 -5.818 8.499 1.00 0.00 H new ATOM 0 HA CYS A 17 -12.463 -5.155 11.325 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -12.310 -2.996 9.763 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -14.026 -3.289 9.560 1.00 0.00 H new ATOM 0 HG CYS A 17 -12.901 -1.463 11.810 1.00 0.00 H new ATOM 208 N ARG A 18 -14.616 -6.348 11.434 1.00 0.00 N ATOM 209 CA ARG A 18 -15.860 -7.102 11.524 1.00 0.00 C ATOM 210 C ARG A 18 -17.066 -6.185 11.338 1.00 0.00 C ATOM 211 O ARG A 18 -17.986 -6.499 10.584 1.00 0.00 O ATOM 212 CB ARG A 18 -15.952 -7.816 12.873 1.00 0.00 C ATOM 213 CG ARG A 18 -14.823 -8.804 13.118 1.00 0.00 C ATOM 214 CD ARG A 18 -15.232 -9.883 14.108 1.00 0.00 C ATOM 215 NE ARG A 18 -14.091 -10.388 14.868 1.00 0.00 N ATOM 216 CZ ARG A 18 -13.532 -11.573 14.653 1.00 0.00 C ATOM 217 NH1 ARG A 18 -14.005 -12.371 13.706 1.00 0.00 N ATOM 218 NH2 ARG A 18 -12.497 -11.963 15.386 1.00 0.00 N ATOM 0 H ARG A 18 -14.051 -6.364 12.283 1.00 0.00 H new ATOM 0 HA ARG A 18 -15.864 -7.845 10.727 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -15.951 -7.072 13.669 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -16.904 -8.344 12.931 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -14.531 -9.266 12.175 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.949 -8.273 13.497 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.976 -9.481 14.795 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -15.704 -10.707 13.572 1.00 0.00 H new ATOM 0 HE ARG A 18 -13.703 -9.798 15.604 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -14.800 -12.075 13.140 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -13.573 -13.281 13.543 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -12.130 -11.352 16.116 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.069 -12.874 15.220 1.00 0.00 H new ATOM 232 N GLN A 19 -17.053 -5.051 12.031 1.00 0.00 N ATOM 233 CA GLN A 19 -18.146 -4.090 11.944 1.00 0.00 C ATOM 234 C GLN A 19 -18.116 -3.353 10.609 1.00 0.00 C ATOM 235 O GLN A 19 -17.054 -2.952 10.131 1.00 0.00 O ATOM 236 CB GLN A 19 -18.064 -3.086 13.095 1.00 0.00 C ATOM 237 CG GLN A 19 -18.681 -3.594 14.389 1.00 0.00 C ATOM 238 CD GLN A 19 -20.196 -3.621 14.342 1.00 0.00 C ATOM 239 OE1 GLN A 19 -20.793 -4.481 13.693 1.00 0.00 O ATOM 240 NE2 GLN A 19 -20.827 -2.677 15.030 1.00 0.00 N ATOM 0 H GLN A 19 -16.298 -4.775 12.659 1.00 0.00 H new ATOM 0 HA GLN A 19 -19.085 -4.638 12.016 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -17.018 -2.836 13.274 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -18.566 -2.165 12.799 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -18.310 -4.598 14.594 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -18.358 -2.960 15.215 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -20.292 -1.984 15.554 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -21.846 -2.645 15.035 1.00 0.00 H new ATOM 249 N LYS A 20 -19.289 -3.178 10.009 1.00 0.00 N ATOM 250 CA LYS A 20 -19.400 -2.488 8.729 1.00 0.00 C ATOM 251 C LYS A 20 -19.136 -0.995 8.891 1.00 0.00 C ATOM 252 O LYS A 20 -18.239 -0.441 8.256 1.00 0.00 O ATOM 253 CB LYS A 20 -20.789 -2.709 8.126 1.00 0.00 C ATOM 254 CG LYS A 20 -20.923 -2.193 6.704 1.00 0.00 C ATOM 255 CD LYS A 20 -20.469 -3.230 5.690 1.00 0.00 C ATOM 256 CE LYS A 20 -20.026 -2.579 4.388 1.00 0.00 C ATOM 257 NZ LYS A 20 -18.774 -1.792 4.559 1.00 0.00 N ATOM 0 H LYS A 20 -20.177 -3.505 10.389 1.00 0.00 H new ATOM 0 HA LYS A 20 -18.649 -2.901 8.056 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -21.017 -3.775 8.140 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -21.531 -2.216 8.754 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -21.961 -1.923 6.510 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -20.331 -1.285 6.588 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -19.646 -3.811 6.106 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -21.283 -3.927 5.491 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -19.871 -3.349 3.632 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -20.818 -1.926 4.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.205 -1.851 3.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -19.012 -0.798 4.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -18.229 -2.176 5.357 1.00 0.00 H new ATOM 271 N ALA A 21 -19.922 -0.349 9.746 1.00 0.00 N ATOM 272 CA ALA A 21 -19.770 1.080 9.994 1.00 0.00 C ATOM 273 C ALA A 21 -18.303 1.452 10.178 1.00 0.00 C ATOM 274 O ALA A 21 -17.841 2.469 9.660 1.00 0.00 O ATOM 275 CB ALA A 21 -20.578 1.492 11.215 1.00 0.00 C ATOM 0 H ALA A 21 -20.670 -0.792 10.279 1.00 0.00 H new ATOM 0 HA ALA A 21 -20.147 1.617 9.124 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -20.455 2.561 11.389 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -21.632 1.270 11.046 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -20.227 0.940 12.087 1.00 0.00 H new ATOM 281 N SER A 22 -17.575 0.623 10.919 1.00 0.00 N ATOM 282 CA SER A 22 -16.160 0.868 11.175 1.00 0.00 C ATOM 283 C SER A 22 -15.380 0.965 9.867 1.00 0.00 C ATOM 284 O SER A 22 -14.605 1.899 9.661 1.00 0.00 O ATOM 285 CB SER A 22 -15.578 -0.245 12.048 1.00 0.00 C ATOM 286 OG SER A 22 -16.257 -0.327 13.289 1.00 0.00 O ATOM 0 H SER A 22 -17.941 -0.224 11.353 1.00 0.00 H new ATOM 0 HA SER A 22 -16.070 1.818 11.702 1.00 0.00 H new ATOM 0 HB2 SER A 22 -15.653 -1.198 11.525 1.00 0.00 H new ATOM 0 HB3 SER A 22 -14.518 -0.059 12.221 1.00 0.00 H new ATOM 0 HG SER A 22 -15.868 -1.047 13.828 1.00 0.00 H new ATOM 292 N LEU A 23 -15.592 -0.007 8.987 1.00 0.00 N ATOM 293 CA LEU A 23 -14.910 -0.033 7.697 1.00 0.00 C ATOM 294 C LEU A 23 -15.183 1.245 6.911 1.00 0.00 C ATOM 295 O LEU A 23 -14.256 1.935 6.488 1.00 0.00 O ATOM 296 CB LEU A 23 -15.357 -1.250 6.886 1.00 0.00 C ATOM 297 CG LEU A 23 -14.508 -1.588 5.660 1.00 0.00 C ATOM 298 CD1 LEU A 23 -13.163 -2.158 6.083 1.00 0.00 C ATOM 299 CD2 LEU A 23 -15.243 -2.567 4.756 1.00 0.00 C ATOM 0 H LEU A 23 -16.230 -0.787 9.143 1.00 0.00 H new ATOM 0 HA LEU A 23 -13.838 -0.102 7.882 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -15.368 -2.117 7.546 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -16.384 -1.086 6.558 1.00 0.00 H new ATOM 0 HG LEU A 23 -14.331 -0.670 5.100 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -12.573 -2.393 5.197 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -12.632 -1.425 6.690 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -13.320 -3.066 6.666 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -14.624 -2.796 3.889 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -15.451 -3.485 5.306 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -16.181 -2.122 4.425 1.00 0.00 H new ATOM 311 N ASN A 24 -16.461 1.555 6.720 1.00 0.00 N ATOM 312 CA ASN A 24 -16.857 2.751 5.986 1.00 0.00 C ATOM 313 C ASN A 24 -16.143 3.984 6.531 1.00 0.00 C ATOM 314 O ASN A 24 -15.685 4.836 5.769 1.00 0.00 O ATOM 315 CB ASN A 24 -18.372 2.947 6.067 1.00 0.00 C ATOM 316 CG ASN A 24 -19.135 1.872 5.318 1.00 0.00 C ATOM 317 OD1 ASN A 24 -18.939 1.678 4.118 1.00 0.00 O ATOM 318 ND2 ASN A 24 -20.011 1.167 6.024 1.00 0.00 N ATOM 0 H ASN A 24 -17.241 0.994 7.064 1.00 0.00 H new ATOM 0 HA ASN A 24 -16.571 2.618 4.943 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -18.680 2.946 7.112 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -18.632 3.924 5.659 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -20.554 0.430 5.574 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -20.141 1.362 7.017 1.00 0.00 H new ATOM 325 N TRP A 25 -16.052 4.072 7.853 1.00 0.00 N ATOM 326 CA TRP A 25 -15.393 5.202 8.499 1.00 0.00 C ATOM 327 C TRP A 25 -13.892 5.183 8.231 1.00 0.00 C ATOM 328 O TRP A 25 -13.238 6.227 8.233 1.00 0.00 O ATOM 329 CB TRP A 25 -15.654 5.176 10.006 1.00 0.00 C ATOM 330 CG TRP A 25 -14.770 6.108 10.778 1.00 0.00 C ATOM 331 CD1 TRP A 25 -13.431 5.966 11.008 1.00 0.00 C ATOM 332 CD2 TRP A 25 -15.163 7.324 11.424 1.00 0.00 C ATOM 333 NE1 TRP A 25 -12.968 7.020 11.757 1.00 0.00 N ATOM 334 CE2 TRP A 25 -14.011 7.868 12.025 1.00 0.00 C ATOM 335 CE3 TRP A 25 -16.375 8.007 11.551 1.00 0.00 C ATOM 336 CZ2 TRP A 25 -14.038 9.061 12.742 1.00 0.00 C ATOM 337 CZ3 TRP A 25 -16.401 9.191 12.264 1.00 0.00 C ATOM 338 CH2 TRP A 25 -15.238 9.709 12.851 1.00 0.00 C ATOM 0 H TRP A 25 -16.425 3.376 8.498 1.00 0.00 H new ATOM 0 HA TRP A 25 -15.806 6.120 8.080 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -16.696 5.438 10.192 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -15.510 4.161 10.375 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -12.825 5.145 10.653 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -12.004 7.151 12.064 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -17.276 7.617 11.100 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -13.143 9.461 13.196 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -17.333 9.726 12.371 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -15.290 10.638 13.400 1.00 0.00 H new ATOM 349 N HIS A 26 -13.351 3.991 8.000 1.00 0.00 N ATOM 350 CA HIS A 26 -11.926 3.838 7.729 1.00 0.00 C ATOM 351 C HIS A 26 -11.643 3.944 6.233 1.00 0.00 C ATOM 352 O HIS A 26 -10.499 4.130 5.821 1.00 0.00 O ATOM 353 CB HIS A 26 -11.426 2.494 8.260 1.00 0.00 C ATOM 354 CG HIS A 26 -10.250 1.953 7.507 1.00 0.00 C ATOM 355 ND1 HIS A 26 -8.951 2.337 7.763 1.00 0.00 N ATOM 356 CD2 HIS A 26 -10.183 1.049 6.502 1.00 0.00 C ATOM 357 CE1 HIS A 26 -8.135 1.695 6.946 1.00 0.00 C ATOM 358 NE2 HIS A 26 -8.857 0.907 6.171 1.00 0.00 N ATOM 0 H HIS A 26 -13.878 3.117 7.995 1.00 0.00 H new ATOM 0 HA HIS A 26 -11.396 4.642 8.239 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -11.155 2.606 9.310 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -12.240 1.770 8.216 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -8.665 3.012 8.472 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -11.016 0.535 6.045 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -7.060 1.797 6.917 1.00 0.00 H new ATOM 366 N GLN A 27 -12.693 3.824 5.427 1.00 0.00 N ATOM 367 CA GLN A 27 -12.556 3.905 3.978 1.00 0.00 C ATOM 368 C GLN A 27 -12.776 5.333 3.489 1.00 0.00 C ATOM 369 O GLN A 27 -12.124 5.784 2.547 1.00 0.00 O ATOM 370 CB GLN A 27 -13.550 2.962 3.297 1.00 0.00 C ATOM 371 CG GLN A 27 -13.284 1.492 3.579 1.00 0.00 C ATOM 372 CD GLN A 27 -13.707 0.592 2.434 1.00 0.00 C ATOM 373 OE1 GLN A 27 -14.375 1.033 1.497 1.00 0.00 O ATOM 374 NE2 GLN A 27 -13.320 -0.676 2.503 1.00 0.00 N ATOM 0 H GLN A 27 -13.647 3.670 5.753 1.00 0.00 H new ATOM 0 HA GLN A 27 -11.542 3.603 3.717 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.559 3.210 3.627 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.517 3.129 2.220 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -12.221 1.350 3.774 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -13.816 1.197 4.483 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.768 -0.998 3.298 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -13.575 -1.328 1.761 1.00 0.00 H new ATOM 383 N ARG A 28 -13.698 6.039 4.136 1.00 0.00 N ATOM 384 CA ARG A 28 -14.004 7.415 3.766 1.00 0.00 C ATOM 385 C ARG A 28 -12.746 8.278 3.789 1.00 0.00 C ATOM 386 O ARG A 28 -12.601 9.206 2.994 1.00 0.00 O ATOM 387 CB ARG A 28 -15.053 7.999 4.714 1.00 0.00 C ATOM 388 CG ARG A 28 -14.484 8.451 6.049 1.00 0.00 C ATOM 389 CD ARG A 28 -15.557 9.069 6.932 1.00 0.00 C ATOM 390 NE ARG A 28 -14.984 9.790 8.065 1.00 0.00 N ATOM 391 CZ ARG A 28 -15.470 10.937 8.528 1.00 0.00 C ATOM 392 NH1 ARG A 28 -16.531 11.489 7.957 1.00 0.00 N ATOM 393 NH2 ARG A 28 -14.893 11.533 9.564 1.00 0.00 N ATOM 0 H ARG A 28 -14.245 5.681 4.918 1.00 0.00 H new ATOM 0 HA ARG A 28 -14.402 7.411 2.751 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -15.536 8.847 4.229 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -15.825 7.251 4.893 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -14.035 7.600 6.561 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -13.688 9.177 5.880 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -16.166 9.751 6.339 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -16.220 8.286 7.299 1.00 0.00 H new ATOM 0 HE ARG A 28 -14.166 9.392 8.526 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -16.976 11.033 7.160 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -16.902 12.369 8.314 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -14.076 11.111 10.005 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -15.266 12.413 9.919 1.00 0.00 H new ATOM 407 N LYS A 29 -11.837 7.964 4.707 1.00 0.00 N ATOM 408 CA LYS A 29 -10.590 8.709 4.835 1.00 0.00 C ATOM 409 C LYS A 29 -9.680 8.457 3.637 1.00 0.00 C ATOM 410 O LYS A 29 -8.966 9.353 3.187 1.00 0.00 O ATOM 411 CB LYS A 29 -9.869 8.318 6.127 1.00 0.00 C ATOM 412 CG LYS A 29 -9.417 6.868 6.157 1.00 0.00 C ATOM 413 CD LYS A 29 -8.327 6.645 7.192 1.00 0.00 C ATOM 414 CE LYS A 29 -8.387 5.240 7.771 1.00 0.00 C ATOM 415 NZ LYS A 29 -7.070 4.808 8.315 1.00 0.00 N ATOM 0 H LYS A 29 -11.941 7.199 5.373 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.832 9.771 4.868 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.000 8.963 6.258 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.532 8.501 6.973 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.269 6.225 6.380 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.049 6.580 5.172 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.351 6.810 6.735 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.431 7.375 7.995 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.136 5.205 8.562 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.707 4.542 6.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.876 3.830 8.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.322 5.434 7.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.090 4.859 9.354 1.00 0.00 H new ATOM 429 N HIS A 30 -9.713 7.231 3.122 1.00 0.00 N ATOM 430 CA HIS A 30 -8.892 6.862 1.974 1.00 0.00 C ATOM 431 C HIS A 30 -9.145 7.804 0.801 1.00 0.00 C ATOM 432 O HIS A 30 -8.216 8.194 0.095 1.00 0.00 O ATOM 433 CB HIS A 30 -9.180 5.420 1.557 1.00 0.00 C ATOM 434 CG HIS A 30 -8.533 4.400 2.442 1.00 0.00 C ATOM 435 ND1 HIS A 30 -7.275 4.561 2.982 1.00 0.00 N ATOM 436 CD2 HIS A 30 -8.979 3.200 2.883 1.00 0.00 C ATOM 437 CE1 HIS A 30 -6.973 3.504 3.715 1.00 0.00 C ATOM 438 NE2 HIS A 30 -7.991 2.663 3.671 1.00 0.00 N ATOM 0 H HIS A 30 -10.299 6.477 3.481 1.00 0.00 H new ATOM 0 HA HIS A 30 -7.845 6.945 2.265 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -10.258 5.259 1.558 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -8.837 5.271 0.533 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -6.671 5.370 2.838 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -9.934 2.749 2.657 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -6.051 3.353 4.257 1.00 0.00 H new ATOM 446 N ALA A 31 -10.408 8.164 0.599 1.00 0.00 N ATOM 447 CA ALA A 31 -10.783 9.060 -0.488 1.00 0.00 C ATOM 448 C ALA A 31 -10.063 10.399 -0.368 1.00 0.00 C ATOM 449 O ALA A 31 -9.698 11.010 -1.372 1.00 0.00 O ATOM 450 CB ALA A 31 -12.290 9.269 -0.505 1.00 0.00 C ATOM 0 H ALA A 31 -11.189 7.849 1.174 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.481 8.597 -1.428 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.555 9.940 -1.322 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.789 8.310 -0.647 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.607 9.707 0.442 1.00 0.00 H new ATOM 456 N GLU A 32 -9.863 10.850 0.867 1.00 0.00 N ATOM 457 CA GLU A 32 -9.188 12.118 1.116 1.00 0.00 C ATOM 458 C GLU A 32 -7.672 11.942 1.087 1.00 0.00 C ATOM 459 O GLU A 32 -6.942 12.819 0.622 1.00 0.00 O ATOM 460 CB GLU A 32 -9.620 12.694 2.466 1.00 0.00 C ATOM 461 CG GLU A 32 -11.113 12.953 2.568 1.00 0.00 C ATOM 462 CD GLU A 32 -11.553 14.160 1.761 1.00 0.00 C ATOM 463 OE1 GLU A 32 -11.684 14.031 0.526 1.00 0.00 O ATOM 464 OE2 GLU A 32 -11.765 15.232 2.364 1.00 0.00 O ATOM 0 H GLU A 32 -10.159 10.356 1.709 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.471 12.813 0.325 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.325 12.004 3.257 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.085 13.628 2.641 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -11.655 12.073 2.223 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.381 13.103 3.614 1.00 0.00 H new ATOM 471 N THR A 33 -7.204 10.803 1.588 1.00 0.00 N ATOM 472 CA THR A 33 -5.777 10.512 1.622 1.00 0.00 C ATOM 473 C THR A 33 -5.215 10.353 0.214 1.00 0.00 C ATOM 474 O THR A 33 -4.210 10.971 -0.138 1.00 0.00 O ATOM 475 CB THR A 33 -5.483 9.233 2.427 1.00 0.00 C ATOM 476 OG1 THR A 33 -6.103 9.311 3.715 1.00 0.00 O ATOM 477 CG2 THR A 33 -3.985 9.028 2.592 1.00 0.00 C ATOM 0 H THR A 33 -7.794 10.067 1.976 1.00 0.00 H new ATOM 0 HA THR A 33 -5.294 11.358 2.110 1.00 0.00 H new ATOM 0 HB THR A 33 -5.891 8.384 1.878 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.076 9.250 3.614 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.803 8.118 3.164 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.520 8.939 1.610 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.557 9.880 3.120 1.00 0.00 H new ATOM 485 N VAL A 34 -5.870 9.521 -0.589 1.00 0.00 N ATOM 486 CA VAL A 34 -5.436 9.282 -1.961 1.00 0.00 C ATOM 487 C VAL A 34 -5.045 10.585 -2.648 1.00 0.00 C ATOM 488 O VAL A 34 -4.104 10.623 -3.441 1.00 0.00 O ATOM 489 CB VAL A 34 -6.538 8.591 -2.786 1.00 0.00 C ATOM 490 CG1 VAL A 34 -6.822 7.200 -2.238 1.00 0.00 C ATOM 491 CG2 VAL A 34 -7.803 9.436 -2.799 1.00 0.00 C ATOM 0 H VAL A 34 -6.703 9.001 -0.314 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.567 8.627 -1.908 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.188 8.487 -3.813 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.603 6.727 -2.833 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.915 6.598 -2.286 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.152 7.277 -1.202 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.571 8.933 -3.386 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.159 9.574 -1.778 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.587 10.408 -3.242 1.00 0.00 H new ATOM 501 N ALA A 35 -5.773 11.653 -2.339 1.00 0.00 N ATOM 502 CA ALA A 35 -5.500 12.960 -2.925 1.00 0.00 C ATOM 503 C ALA A 35 -4.063 13.394 -2.654 1.00 0.00 C ATOM 504 O ALA A 35 -3.340 13.786 -3.569 1.00 0.00 O ATOM 505 CB ALA A 35 -6.477 13.994 -2.386 1.00 0.00 C ATOM 0 H ALA A 35 -6.557 11.639 -1.686 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.630 12.882 -4.004 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.262 14.965 -2.832 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -7.496 13.697 -2.636 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.375 14.061 -1.303 1.00 0.00 H new ATOM 511 N ALA A 36 -3.657 13.322 -1.391 1.00 0.00 N ATOM 512 CA ALA A 36 -2.306 13.706 -1.000 1.00 0.00 C ATOM 513 C ALA A 36 -1.278 13.193 -2.002 1.00 0.00 C ATOM 514 O ALA A 36 -0.598 13.976 -2.666 1.00 0.00 O ATOM 515 CB ALA A 36 -1.992 13.185 0.395 1.00 0.00 C ATOM 0 H ALA A 36 -4.244 13.001 -0.621 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.253 14.795 -0.990 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.980 13.479 0.674 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.701 13.604 1.108 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.069 12.098 0.403 1.00 0.00 H new ATOM 521 N LEU A 37 -1.168 11.873 -2.107 1.00 0.00 N ATOM 522 CA LEU A 37 -0.221 11.255 -3.029 1.00 0.00 C ATOM 523 C LEU A 37 -0.388 11.814 -4.438 1.00 0.00 C ATOM 524 O LEU A 37 -1.492 11.834 -4.982 1.00 0.00 O ATOM 525 CB LEU A 37 -0.412 9.737 -3.045 1.00 0.00 C ATOM 526 CG LEU A 37 -0.672 9.079 -1.689 1.00 0.00 C ATOM 527 CD1 LEU A 37 0.094 9.799 -0.590 1.00 0.00 C ATOM 528 CD2 LEU A 37 -2.162 9.063 -1.381 1.00 0.00 C ATOM 0 H LEU A 37 -1.723 11.210 -1.565 1.00 0.00 H new ATOM 0 HA LEU A 37 0.787 11.485 -2.684 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.246 9.503 -3.706 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.478 9.283 -3.482 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.319 8.049 -1.733 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.104 9.317 0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.162 9.757 -0.804 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.227 10.840 -0.545 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.328 8.591 -0.413 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.539 10.085 -1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.687 8.501 -2.153 1.00 0.00 H new ATOM 540 N ARG A 38 0.716 12.266 -5.024 1.00 0.00 N ATOM 541 CA ARG A 38 0.692 12.826 -6.370 1.00 0.00 C ATOM 542 C ARG A 38 1.546 11.991 -7.320 1.00 0.00 C ATOM 543 O ARG A 38 1.251 11.891 -8.511 1.00 0.00 O ATOM 544 CB ARG A 38 1.192 14.271 -6.354 1.00 0.00 C ATOM 545 CG ARG A 38 0.760 15.051 -5.123 1.00 0.00 C ATOM 546 CD ARG A 38 1.804 14.975 -4.020 1.00 0.00 C ATOM 547 NE ARG A 38 1.314 15.532 -2.762 1.00 0.00 N ATOM 548 CZ ARG A 38 1.364 16.825 -2.462 1.00 0.00 C ATOM 549 NH1 ARG A 38 1.880 17.690 -3.325 1.00 0.00 N ATOM 550 NH2 ARG A 38 0.897 17.256 -1.297 1.00 0.00 N ATOM 0 H ARG A 38 1.638 12.255 -4.588 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.338 12.810 -6.725 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.281 14.271 -6.410 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.827 14.783 -7.245 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.590 16.093 -5.393 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.188 14.658 -4.756 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.095 13.936 -3.867 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.699 15.514 -4.331 1.00 0.00 H new ATOM 0 HE ARG A 38 0.911 14.893 -2.076 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.240 17.363 -4.222 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.917 18.682 -3.092 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.499 16.594 -0.631 1.00 0.00 H new ATOM 0 HH22 ARG A 38 0.936 18.249 -1.068 1.00 0.00 H new ATOM 564 N PHE A 39 2.607 11.395 -6.786 1.00 0.00 N ATOM 565 CA PHE A 39 3.505 10.571 -7.586 1.00 0.00 C ATOM 566 C PHE A 39 3.189 9.089 -7.405 1.00 0.00 C ATOM 567 O PHE A 39 3.551 8.469 -6.405 1.00 0.00 O ATOM 568 CB PHE A 39 4.960 10.845 -7.202 1.00 0.00 C ATOM 569 CG PHE A 39 5.292 12.307 -7.113 1.00 0.00 C ATOM 570 CD1 PHE A 39 4.885 13.059 -6.022 1.00 0.00 C ATOM 571 CD2 PHE A 39 6.012 12.930 -8.120 1.00 0.00 C ATOM 572 CE1 PHE A 39 5.189 14.404 -5.939 1.00 0.00 C ATOM 573 CE2 PHE A 39 6.319 14.275 -8.042 1.00 0.00 C ATOM 574 CZ PHE A 39 5.907 15.013 -6.949 1.00 0.00 C ATOM 0 H PHE A 39 2.866 11.467 -5.802 1.00 0.00 H new ATOM 0 HA PHE A 39 3.359 10.830 -8.635 1.00 0.00 H new ATOM 0 HB2 PHE A 39 5.169 10.374 -6.241 1.00 0.00 H new ATOM 0 HB3 PHE A 39 5.615 10.376 -7.936 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.324 12.588 -5.228 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.337 12.357 -8.976 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.865 14.979 -5.084 1.00 0.00 H new ATOM 0 HE2 PHE A 39 6.880 14.749 -8.834 1.00 0.00 H new ATOM 0 HZ PHE A 39 6.146 16.064 -6.885 1.00 0.00 H new ATOM 584 N PRO A 40 2.497 8.507 -8.396 1.00 0.00 N ATOM 585 CA PRO A 40 2.117 7.092 -8.370 1.00 0.00 C ATOM 586 C PRO A 40 3.317 6.166 -8.533 1.00 0.00 C ATOM 587 O PRO A 40 4.427 6.616 -8.820 1.00 0.00 O ATOM 588 CB PRO A 40 1.171 6.957 -9.566 1.00 0.00 C ATOM 589 CG PRO A 40 1.573 8.053 -10.492 1.00 0.00 C ATOM 590 CD PRO A 40 2.033 9.186 -9.617 1.00 0.00 C ATOM 0 HA PRO A 40 1.667 6.808 -7.419 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.270 5.981 -10.041 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.130 7.059 -9.261 1.00 0.00 H new ATOM 0 HG2 PRO A 40 2.370 7.727 -11.160 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.737 8.360 -11.120 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.833 9.758 -10.087 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.224 9.885 -9.405 1.00 0.00 H new ATOM 598 N CYS A 41 3.089 4.870 -8.348 1.00 0.00 N ATOM 599 CA CYS A 41 4.151 3.880 -8.474 1.00 0.00 C ATOM 600 C CYS A 41 4.004 3.086 -9.769 1.00 0.00 C ATOM 601 O CYS A 41 3.131 2.226 -9.885 1.00 0.00 O ATOM 602 CB CYS A 41 4.136 2.929 -7.276 1.00 0.00 C ATOM 603 SG CYS A 41 5.632 1.900 -7.124 1.00 0.00 S ATOM 0 H CYS A 41 2.177 4.481 -8.110 1.00 0.00 H new ATOM 0 HA CYS A 41 5.104 4.408 -8.498 1.00 0.00 H new ATOM 0 HB2 CYS A 41 4.016 3.513 -6.364 1.00 0.00 H new ATOM 0 HB3 CYS A 41 3.266 2.277 -7.354 1.00 0.00 H new ATOM 608 N GLU A 42 4.864 3.381 -10.739 1.00 0.00 N ATOM 609 CA GLU A 42 4.828 2.695 -12.025 1.00 0.00 C ATOM 610 C GLU A 42 5.199 1.223 -11.867 1.00 0.00 C ATOM 611 O GLU A 42 5.193 0.462 -12.835 1.00 0.00 O ATOM 612 CB GLU A 42 5.781 3.369 -13.014 1.00 0.00 C ATOM 613 CG GLU A 42 7.249 3.129 -12.704 1.00 0.00 C ATOM 614 CD GLU A 42 8.165 3.599 -13.818 1.00 0.00 C ATOM 615 OE1 GLU A 42 7.938 4.708 -14.345 1.00 0.00 O ATOM 616 OE2 GLU A 42 9.109 2.858 -14.162 1.00 0.00 O ATOM 0 H GLU A 42 5.593 4.090 -10.659 1.00 0.00 H new ATOM 0 HA GLU A 42 3.811 2.756 -12.412 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.566 3.005 -14.019 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.589 4.442 -13.016 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.511 3.646 -11.781 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.411 2.065 -12.530 1.00 0.00 H new ATOM 623 N PHE A 43 5.522 0.829 -10.640 1.00 0.00 N ATOM 624 CA PHE A 43 5.897 -0.551 -10.354 1.00 0.00 C ATOM 625 C PHE A 43 4.674 -1.380 -9.973 1.00 0.00 C ATOM 626 O PHE A 43 4.429 -2.444 -10.542 1.00 0.00 O ATOM 627 CB PHE A 43 6.930 -0.598 -9.226 1.00 0.00 C ATOM 628 CG PHE A 43 8.351 -0.593 -9.713 1.00 0.00 C ATOM 629 CD1 PHE A 43 8.933 -1.751 -10.203 1.00 0.00 C ATOM 630 CD2 PHE A 43 9.105 0.569 -9.681 1.00 0.00 C ATOM 631 CE1 PHE A 43 10.240 -1.751 -10.653 1.00 0.00 C ATOM 632 CE2 PHE A 43 10.412 0.575 -10.130 1.00 0.00 C ATOM 633 CZ PHE A 43 10.981 -0.586 -10.615 1.00 0.00 C ATOM 0 H PHE A 43 5.532 1.446 -9.828 1.00 0.00 H new ATOM 0 HA PHE A 43 6.335 -0.976 -11.257 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.777 0.258 -8.568 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.763 -1.494 -8.628 1.00 0.00 H new ATOM 0 HD1 PHE A 43 8.358 -2.665 -10.234 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.667 1.480 -9.301 1.00 0.00 H new ATOM 0 HE1 PHE A 43 10.681 -2.660 -11.034 1.00 0.00 H new ATOM 0 HE2 PHE A 43 10.988 1.488 -10.102 1.00 0.00 H new ATOM 0 HZ PHE A 43 12.003 -0.583 -10.964 1.00 0.00 H new ATOM 643 N CYS A 44 3.909 -0.884 -9.006 1.00 0.00 N ATOM 644 CA CYS A 44 2.712 -1.577 -8.547 1.00 0.00 C ATOM 645 C CYS A 44 1.466 -0.731 -8.791 1.00 0.00 C ATOM 646 O CYS A 44 0.400 -1.254 -9.114 1.00 0.00 O ATOM 647 CB CYS A 44 2.830 -1.913 -7.059 1.00 0.00 C ATOM 648 SG CYS A 44 3.048 -0.458 -5.983 1.00 0.00 S ATOM 0 H CYS A 44 4.097 -0.004 -8.525 1.00 0.00 H new ATOM 0 HA CYS A 44 2.619 -2.502 -9.115 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.935 -2.452 -6.747 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.674 -2.587 -6.916 1.00 0.00 H new ATOM 653 N GLY A 45 1.609 0.582 -8.633 1.00 0.00 N ATOM 654 CA GLY A 45 0.488 1.480 -8.840 1.00 0.00 C ATOM 655 C GLY A 45 0.232 2.373 -7.642 1.00 0.00 C ATOM 656 O GLY A 45 -0.569 3.306 -7.714 1.00 0.00 O ATOM 0 H GLY A 45 2.481 1.039 -8.366 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.679 2.099 -9.717 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.407 0.896 -9.052 1.00 0.00 H new ATOM 660 N LYS A 46 0.911 2.087 -6.537 1.00 0.00 N ATOM 661 CA LYS A 46 0.753 2.870 -5.317 1.00 0.00 C ATOM 662 C LYS A 46 0.938 4.358 -5.598 1.00 0.00 C ATOM 663 O LYS A 46 1.173 4.759 -6.738 1.00 0.00 O ATOM 664 CB LYS A 46 1.759 2.411 -4.258 1.00 0.00 C ATOM 665 CG LYS A 46 1.257 1.263 -3.400 1.00 0.00 C ATOM 666 CD LYS A 46 2.265 0.887 -2.327 1.00 0.00 C ATOM 667 CE LYS A 46 2.078 1.723 -1.070 1.00 0.00 C ATOM 668 NZ LYS A 46 0.916 1.258 -0.262 1.00 0.00 N ATOM 0 H LYS A 46 1.577 1.318 -6.461 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.258 2.712 -4.942 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.682 2.107 -4.753 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.006 3.255 -3.613 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.313 1.543 -2.932 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.055 0.397 -4.031 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.160 -0.170 -2.082 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.276 1.026 -2.711 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.983 1.676 -0.465 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.933 2.767 -1.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.883 1.785 0.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.037 1.421 -0.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.016 0.242 -0.062 1.00 0.00 H new ATOM 682 N ARG A 47 0.831 5.170 -4.552 1.00 0.00 N ATOM 683 CA ARG A 47 0.986 6.614 -4.687 1.00 0.00 C ATOM 684 C ARG A 47 1.600 7.215 -3.425 1.00 0.00 C ATOM 685 O ARG A 47 1.329 6.761 -2.313 1.00 0.00 O ATOM 686 CB ARG A 47 -0.367 7.270 -4.970 1.00 0.00 C ATOM 687 CG ARG A 47 -0.996 6.825 -6.280 1.00 0.00 C ATOM 688 CD ARG A 47 -2.386 7.415 -6.459 1.00 0.00 C ATOM 689 NE ARG A 47 -2.910 7.186 -7.803 1.00 0.00 N ATOM 690 CZ ARG A 47 -3.426 6.029 -8.203 1.00 0.00 C ATOM 691 NH1 ARG A 47 -3.489 5.002 -7.366 1.00 0.00 N ATOM 692 NH2 ARG A 47 -3.882 5.898 -9.442 1.00 0.00 N ATOM 0 H ARG A 47 0.638 4.853 -3.602 1.00 0.00 H new ATOM 0 HA ARG A 47 1.657 6.805 -5.524 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.050 7.041 -4.152 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.240 8.352 -4.987 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.361 7.129 -7.112 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.055 5.737 -6.305 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.063 6.976 -5.726 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.353 8.486 -6.261 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.878 7.956 -8.471 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.141 5.099 -6.412 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.886 4.115 -7.676 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.837 6.686 -10.088 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.278 5.009 -9.748 1.00 0.00 H new ATOM 706 N PHE A 48 2.430 8.237 -3.607 1.00 0.00 N ATOM 707 CA PHE A 48 3.084 8.899 -2.484 1.00 0.00 C ATOM 708 C PHE A 48 2.965 10.415 -2.603 1.00 0.00 C ATOM 709 O PHE A 48 2.850 10.955 -3.703 1.00 0.00 O ATOM 710 CB PHE A 48 4.558 8.496 -2.415 1.00 0.00 C ATOM 711 CG PHE A 48 4.768 7.017 -2.257 1.00 0.00 C ATOM 712 CD1 PHE A 48 4.297 6.131 -3.213 1.00 0.00 C ATOM 713 CD2 PHE A 48 5.438 6.513 -1.154 1.00 0.00 C ATOM 714 CE1 PHE A 48 4.489 4.770 -3.069 1.00 0.00 C ATOM 715 CE2 PHE A 48 5.633 5.153 -1.005 1.00 0.00 C ATOM 716 CZ PHE A 48 5.158 4.280 -1.964 1.00 0.00 C ATOM 0 H PHE A 48 2.665 8.624 -4.521 1.00 0.00 H new ATOM 0 HA PHE A 48 2.585 8.583 -1.568 1.00 0.00 H new ATOM 0 HB2 PHE A 48 5.061 8.832 -3.322 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.029 9.013 -1.579 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.774 6.508 -4.080 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.812 7.191 -0.401 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.116 4.090 -3.820 1.00 0.00 H new ATOM 0 HE2 PHE A 48 6.156 4.773 -0.140 1.00 0.00 H new ATOM 0 HZ PHE A 48 5.309 3.217 -1.850 1.00 0.00 H new ATOM 726 N GLU A 49 2.993 11.096 -1.461 1.00 0.00 N ATOM 727 CA GLU A 49 2.886 12.551 -1.437 1.00 0.00 C ATOM 728 C GLU A 49 4.070 13.194 -2.154 1.00 0.00 C ATOM 729 O GLU A 49 4.021 14.367 -2.527 1.00 0.00 O ATOM 730 CB GLU A 49 2.814 13.055 0.005 1.00 0.00 C ATOM 731 CG GLU A 49 3.822 12.397 0.932 1.00 0.00 C ATOM 732 CD GLU A 49 4.244 13.302 2.072 1.00 0.00 C ATOM 733 OE1 GLU A 49 4.087 14.534 1.941 1.00 0.00 O ATOM 734 OE2 GLU A 49 4.732 12.780 3.096 1.00 0.00 O ATOM 0 H GLU A 49 3.089 10.664 -0.542 1.00 0.00 H new ATOM 0 HA GLU A 49 1.971 12.832 -1.958 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.976 14.133 0.013 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.810 12.881 0.392 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.392 11.482 1.340 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.702 12.107 0.358 1.00 0.00 H new ATOM 741 N LYS A 50 5.132 12.419 -2.343 1.00 0.00 N ATOM 742 CA LYS A 50 6.329 12.912 -3.015 1.00 0.00 C ATOM 743 C LYS A 50 7.092 11.767 -3.674 1.00 0.00 C ATOM 744 O LYS A 50 6.890 10.593 -3.362 1.00 0.00 O ATOM 745 CB LYS A 50 7.237 13.637 -2.019 1.00 0.00 C ATOM 746 CG LYS A 50 7.081 13.150 -0.589 1.00 0.00 C ATOM 747 CD LYS A 50 8.162 13.720 0.315 1.00 0.00 C ATOM 748 CE LYS A 50 7.833 15.141 0.749 1.00 0.00 C ATOM 749 NZ LYS A 50 6.999 15.165 1.983 1.00 0.00 N ATOM 0 H LYS A 50 5.189 11.447 -2.040 1.00 0.00 H new ATOM 0 HA LYS A 50 6.018 13.613 -3.790 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.275 13.509 -2.326 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.023 14.705 -2.056 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.100 13.437 -0.211 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.124 12.061 -0.568 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.274 13.086 1.195 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.118 13.710 -0.208 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.758 15.690 0.925 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.306 15.654 -0.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.216 16.021 2.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.992 15.167 1.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.206 14.323 2.558 1.00 0.00 H new ATOM 763 N PRO A 51 7.992 12.114 -4.607 1.00 0.00 N ATOM 764 CA PRO A 51 8.805 11.130 -5.328 1.00 0.00 C ATOM 765 C PRO A 51 9.845 10.469 -4.430 1.00 0.00 C ATOM 766 O PRO A 51 10.067 9.260 -4.508 1.00 0.00 O ATOM 767 CB PRO A 51 9.488 11.963 -6.415 1.00 0.00 C ATOM 768 CG PRO A 51 9.526 13.347 -5.864 1.00 0.00 C ATOM 769 CD PRO A 51 8.285 13.494 -5.029 1.00 0.00 C ATOM 0 HA PRO A 51 8.203 10.309 -5.717 1.00 0.00 H new ATOM 0 HB2 PRO A 51 10.491 11.593 -6.625 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.931 11.925 -7.351 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.422 13.503 -5.263 1.00 0.00 H new ATOM 0 HG3 PRO A 51 9.547 14.086 -6.665 1.00 0.00 H new ATOM 0 HD2 PRO A 51 8.451 14.149 -4.174 1.00 0.00 H new ATOM 0 HD3 PRO A 51 7.463 13.922 -5.603 1.00 0.00 H new ATOM 777 N ASP A 52 10.479 11.268 -3.579 1.00 0.00 N ATOM 778 CA ASP A 52 11.495 10.759 -2.665 1.00 0.00 C ATOM 779 C ASP A 52 11.031 9.467 -2.001 1.00 0.00 C ATOM 780 O ASP A 52 11.815 8.537 -1.812 1.00 0.00 O ATOM 781 CB ASP A 52 11.823 11.806 -1.599 1.00 0.00 C ATOM 782 CG ASP A 52 12.717 11.257 -0.505 1.00 0.00 C ATOM 783 OD1 ASP A 52 12.326 10.259 0.136 1.00 0.00 O ATOM 784 OD2 ASP A 52 13.808 11.826 -0.288 1.00 0.00 O ATOM 0 H ASP A 52 10.307 12.271 -3.503 1.00 0.00 H new ATOM 0 HA ASP A 52 12.394 10.546 -3.243 1.00 0.00 H new ATOM 0 HB2 ASP A 52 12.312 12.659 -2.070 1.00 0.00 H new ATOM 0 HB3 ASP A 52 10.897 12.173 -1.157 1.00 0.00 H new ATOM 789 N SER A 53 9.750 9.416 -1.648 1.00 0.00 N ATOM 790 CA SER A 53 9.182 8.240 -1.000 1.00 0.00 C ATOM 791 C SER A 53 8.881 7.148 -2.022 1.00 0.00 C ATOM 792 O SER A 53 8.897 5.959 -1.702 1.00 0.00 O ATOM 793 CB SER A 53 7.905 8.614 -0.246 1.00 0.00 C ATOM 794 OG SER A 53 7.639 7.691 0.797 1.00 0.00 O ATOM 0 H SER A 53 9.086 10.176 -1.800 1.00 0.00 H new ATOM 0 HA SER A 53 9.916 7.857 -0.291 1.00 0.00 H new ATOM 0 HB2 SER A 53 8.004 9.617 0.169 1.00 0.00 H new ATOM 0 HB3 SER A 53 7.064 8.637 -0.939 1.00 0.00 H new ATOM 0 HG SER A 53 6.818 7.953 1.264 1.00 0.00 H new ATOM 800 N VAL A 54 8.607 7.561 -3.256 1.00 0.00 N ATOM 801 CA VAL A 54 8.304 6.620 -4.327 1.00 0.00 C ATOM 802 C VAL A 54 9.558 5.883 -4.784 1.00 0.00 C ATOM 803 O VAL A 54 9.504 4.708 -5.143 1.00 0.00 O ATOM 804 CB VAL A 54 7.671 7.332 -5.537 1.00 0.00 C ATOM 805 CG1 VAL A 54 8.080 6.648 -6.833 1.00 0.00 C ATOM 806 CG2 VAL A 54 6.157 7.371 -5.400 1.00 0.00 C ATOM 0 H VAL A 54 8.589 8.541 -3.538 1.00 0.00 H new ATOM 0 HA VAL A 54 7.591 5.901 -3.923 1.00 0.00 H new ATOM 0 HB VAL A 54 8.037 8.358 -5.565 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.623 7.165 -7.677 1.00 0.00 H new ATOM 0 HG12 VAL A 54 9.165 6.678 -6.933 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.745 5.611 -6.818 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.726 7.878 -6.264 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.770 6.353 -5.346 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.888 7.910 -4.492 1.00 0.00 H new ATOM 816 N ALA A 55 10.688 6.583 -4.766 1.00 0.00 N ATOM 817 CA ALA A 55 11.957 5.995 -5.176 1.00 0.00 C ATOM 818 C ALA A 55 12.451 4.984 -4.147 1.00 0.00 C ATOM 819 O ALA A 55 13.005 3.944 -4.502 1.00 0.00 O ATOM 820 CB ALA A 55 12.998 7.084 -5.390 1.00 0.00 C ATOM 0 H ALA A 55 10.750 7.558 -4.472 1.00 0.00 H new ATOM 0 HA ALA A 55 11.798 5.469 -6.117 1.00 0.00 H new ATOM 0 HB1 ALA A 55 13.941 6.631 -5.696 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.655 7.768 -6.167 1.00 0.00 H new ATOM 0 HB3 ALA A 55 13.145 7.635 -4.461 1.00 0.00 H new ATOM 826 N ALA A 56 12.247 5.296 -2.872 1.00 0.00 N ATOM 827 CA ALA A 56 12.670 4.413 -1.792 1.00 0.00 C ATOM 828 C ALA A 56 11.763 3.191 -1.695 1.00 0.00 C ATOM 829 O ALA A 56 12.230 2.077 -1.455 1.00 0.00 O ATOM 830 CB ALA A 56 12.687 5.167 -0.470 1.00 0.00 C ATOM 0 H ALA A 56 11.791 6.154 -2.561 1.00 0.00 H new ATOM 0 HA ALA A 56 13.680 4.067 -2.013 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.005 4.496 0.328 1.00 0.00 H new ATOM 0 HB2 ALA A 56 13.382 6.004 -0.538 1.00 0.00 H new ATOM 0 HB3 ALA A 56 11.687 5.542 -0.252 1.00 0.00 H new ATOM 836 N HIS A 57 10.465 3.407 -1.881 1.00 0.00 N ATOM 837 CA HIS A 57 9.492 2.322 -1.813 1.00 0.00 C ATOM 838 C HIS A 57 9.861 1.201 -2.780 1.00 0.00 C ATOM 839 O HIS A 57 9.634 0.024 -2.497 1.00 0.00 O ATOM 840 CB HIS A 57 8.091 2.845 -2.130 1.00 0.00 C ATOM 841 CG HIS A 57 7.177 1.803 -2.698 1.00 0.00 C ATOM 842 ND1 HIS A 57 6.728 0.720 -1.972 1.00 0.00 N ATOM 843 CD2 HIS A 57 6.626 1.683 -3.929 1.00 0.00 C ATOM 844 CE1 HIS A 57 5.942 -0.022 -2.732 1.00 0.00 C ATOM 845 NE2 HIS A 57 5.863 0.541 -3.924 1.00 0.00 N ATOM 0 H HIS A 57 10.062 4.323 -2.080 1.00 0.00 H new ATOM 0 HA HIS A 57 9.501 1.921 -0.799 1.00 0.00 H new ATOM 0 HB2 HIS A 57 7.648 3.248 -1.219 1.00 0.00 H new ATOM 0 HB3 HIS A 57 8.172 3.670 -2.837 1.00 0.00 H new ATOM 0 HD1 HIS A 57 6.966 0.523 -1.000 1.00 0.00 H new ATOM 0 HD2 HIS A 57 6.761 2.359 -4.760 1.00 0.00 H new ATOM 0 HE1 HIS A 57 5.448 -0.934 -2.430 1.00 0.00 H new ATOM 853 N ARG A 58 10.429 1.574 -3.922 1.00 0.00 N ATOM 854 CA ARG A 58 10.827 0.600 -4.932 1.00 0.00 C ATOM 855 C ARG A 58 12.053 -0.185 -4.476 1.00 0.00 C ATOM 856 O ARG A 58 12.322 -1.278 -4.974 1.00 0.00 O ATOM 857 CB ARG A 58 11.121 1.302 -6.259 1.00 0.00 C ATOM 858 CG ARG A 58 9.983 2.182 -6.749 1.00 0.00 C ATOM 859 CD ARG A 58 10.491 3.307 -7.637 1.00 0.00 C ATOM 860 NE ARG A 58 9.408 4.174 -8.095 1.00 0.00 N ATOM 861 CZ ARG A 58 9.474 4.911 -9.198 1.00 0.00 C ATOM 862 NH1 ARG A 58 10.564 4.886 -9.952 1.00 0.00 N ATOM 863 NH2 ARG A 58 8.447 5.675 -9.549 1.00 0.00 N ATOM 0 H ARG A 58 10.624 2.544 -4.171 1.00 0.00 H new ATOM 0 HA ARG A 58 10.002 -0.098 -5.073 1.00 0.00 H new ATOM 0 HB2 ARG A 58 12.018 1.912 -6.147 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.340 0.550 -7.017 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.265 1.576 -7.302 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.453 2.603 -5.894 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.223 3.900 -7.088 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.006 2.884 -8.499 1.00 0.00 H new ATOM 0 HE ARG A 58 8.555 4.216 -7.537 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.355 4.300 -9.686 1.00 0.00 H new ATOM 0 HH12 ARG A 58 10.612 5.453 -10.798 1.00 0.00 H new ATOM 0 HH21 ARG A 58 7.606 5.696 -8.972 1.00 0.00 H new ATOM 0 HH22 ARG A 58 8.498 6.241 -10.396 1.00 0.00 H new ATOM 877 N SER A 59 12.793 0.381 -3.528 1.00 0.00 N ATOM 878 CA SER A 59 13.993 -0.264 -3.008 1.00 0.00 C ATOM 879 C SER A 59 13.667 -1.112 -1.783 1.00 0.00 C ATOM 880 O SER A 59 14.520 -1.836 -1.268 1.00 0.00 O ATOM 881 CB SER A 59 15.047 0.785 -2.650 1.00 0.00 C ATOM 882 OG SER A 59 16.299 0.179 -2.381 1.00 0.00 O ATOM 0 H SER A 59 12.583 1.285 -3.104 1.00 0.00 H new ATOM 0 HA SER A 59 14.390 -0.917 -3.785 1.00 0.00 H new ATOM 0 HB2 SER A 59 15.152 1.495 -3.471 1.00 0.00 H new ATOM 0 HB3 SER A 59 14.719 1.352 -1.779 1.00 0.00 H new ATOM 0 HG SER A 59 16.157 -0.678 -1.928 1.00 0.00 H new ATOM 888 N LYS A 60 12.425 -1.018 -1.319 1.00 0.00 N ATOM 889 CA LYS A 60 11.982 -1.776 -0.155 1.00 0.00 C ATOM 890 C LYS A 60 10.856 -2.736 -0.527 1.00 0.00 C ATOM 891 O LYS A 60 10.654 -3.755 0.133 1.00 0.00 O ATOM 892 CB LYS A 60 11.513 -0.826 0.949 1.00 0.00 C ATOM 893 CG LYS A 60 12.651 -0.201 1.738 1.00 0.00 C ATOM 894 CD LYS A 60 12.231 0.123 3.162 1.00 0.00 C ATOM 895 CE LYS A 60 12.246 -1.116 4.043 1.00 0.00 C ATOM 896 NZ LYS A 60 11.347 -0.970 5.221 1.00 0.00 N ATOM 0 H LYS A 60 11.707 -0.423 -1.732 1.00 0.00 H new ATOM 0 HA LYS A 60 12.827 -2.360 0.211 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.913 -0.033 0.503 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.863 -1.371 1.634 1.00 0.00 H new ATOM 0 HG2 LYS A 60 13.501 -0.883 1.755 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.983 0.710 1.240 1.00 0.00 H new ATOM 0 HD2 LYS A 60 12.902 0.875 3.578 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.231 0.556 3.158 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.939 -1.982 3.457 1.00 0.00 H new ATOM 0 HE3 LYS A 60 13.264 -1.307 4.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.385 -1.835 5.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.655 -0.159 5.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.372 -0.813 4.896 1.00 0.00 H new ATOM 910 N SER A 61 10.128 -2.404 -1.588 1.00 0.00 N ATOM 911 CA SER A 61 9.021 -3.235 -2.045 1.00 0.00 C ATOM 912 C SER A 61 9.304 -3.801 -3.434 1.00 0.00 C ATOM 913 O SER A 61 8.860 -4.898 -3.773 1.00 0.00 O ATOM 914 CB SER A 61 7.722 -2.427 -2.067 1.00 0.00 C ATOM 915 OG SER A 61 7.119 -2.396 -0.786 1.00 0.00 O ATOM 0 H SER A 61 10.285 -1.565 -2.147 1.00 0.00 H new ATOM 0 HA SER A 61 8.912 -4.065 -1.348 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.928 -1.410 -2.400 1.00 0.00 H new ATOM 0 HB3 SER A 61 7.030 -2.864 -2.787 1.00 0.00 H new ATOM 0 HG SER A 61 6.769 -1.498 -0.611 1.00 0.00 H new ATOM 921 N HIS A 62 10.048 -3.043 -4.234 1.00 0.00 N ATOM 922 CA HIS A 62 10.392 -3.468 -5.586 1.00 0.00 C ATOM 923 C HIS A 62 11.903 -3.617 -5.741 1.00 0.00 C ATOM 924 O HIS A 62 12.468 -3.385 -6.810 1.00 0.00 O ATOM 925 CB HIS A 62 9.859 -2.466 -6.610 1.00 0.00 C ATOM 926 CG HIS A 62 8.367 -2.334 -6.599 1.00 0.00 C ATOM 927 ND1 HIS A 62 7.519 -3.356 -6.971 1.00 0.00 N ATOM 928 CD2 HIS A 62 7.573 -1.294 -6.257 1.00 0.00 C ATOM 929 CE1 HIS A 62 6.267 -2.949 -6.859 1.00 0.00 C ATOM 930 NE2 HIS A 62 6.272 -1.701 -6.427 1.00 0.00 N ATOM 0 H HIS A 62 10.424 -2.132 -3.969 1.00 0.00 H new ATOM 0 HA HIS A 62 9.929 -4.438 -5.764 1.00 0.00 H new ATOM 0 HB2 HIS A 62 10.303 -1.490 -6.416 1.00 0.00 H new ATOM 0 HB3 HIS A 62 10.181 -2.771 -7.606 1.00 0.00 H new ATOM 0 HD1 HIS A 62 7.812 -4.281 -7.284 1.00 0.00 H new ATOM 0 HD2 HIS A 62 7.901 -0.324 -5.914 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.389 -3.537 -7.083 1.00 0.00 H new ATOM 938 N PRO A 63 12.575 -4.011 -4.649 1.00 0.00 N ATOM 939 CA PRO A 63 14.028 -4.198 -4.638 1.00 0.00 C ATOM 940 C PRO A 63 14.463 -5.406 -5.461 1.00 0.00 C ATOM 941 O PRO A 63 15.638 -5.550 -5.796 1.00 0.00 O ATOM 942 CB PRO A 63 14.347 -4.418 -3.157 1.00 0.00 C ATOM 943 CG PRO A 63 13.085 -4.953 -2.573 1.00 0.00 C ATOM 944 CD PRO A 63 11.966 -4.304 -3.340 1.00 0.00 C ATOM 0 HA PRO A 63 14.551 -3.350 -5.079 1.00 0.00 H new ATOM 0 HB2 PRO A 63 15.171 -5.120 -3.030 1.00 0.00 H new ATOM 0 HB3 PRO A 63 14.644 -3.487 -2.673 1.00 0.00 H new ATOM 0 HG2 PRO A 63 13.042 -6.038 -2.664 1.00 0.00 H new ATOM 0 HG3 PRO A 63 13.017 -4.719 -1.511 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.107 -4.968 -3.436 1.00 0.00 H new ATOM 0 HD3 PRO A 63 11.615 -3.397 -2.848 1.00 0.00 H new ATOM 952 N ALA A 64 13.507 -6.272 -5.783 1.00 0.00 N ATOM 953 CA ALA A 64 13.792 -7.466 -6.569 1.00 0.00 C ATOM 954 C ALA A 64 13.566 -7.211 -8.055 1.00 0.00 C ATOM 955 O ALA A 64 14.000 -7.993 -8.903 1.00 0.00 O ATOM 956 CB ALA A 64 12.932 -8.628 -6.094 1.00 0.00 C ATOM 0 H ALA A 64 12.529 -6.169 -5.512 1.00 0.00 H new ATOM 0 HA ALA A 64 14.842 -7.723 -6.427 1.00 0.00 H new ATOM 0 HB1 ALA A 64 13.155 -9.513 -6.690 1.00 0.00 H new ATOM 0 HB2 ALA A 64 13.145 -8.833 -5.045 1.00 0.00 H new ATOM 0 HB3 ALA A 64 11.879 -8.371 -6.207 1.00 0.00 H new ATOM 962 N LEU A 65 12.884 -6.115 -8.366 1.00 0.00 N ATOM 963 CA LEU A 65 12.600 -5.757 -9.752 1.00 0.00 C ATOM 964 C LEU A 65 13.693 -4.856 -10.317 1.00 0.00 C ATOM 965 O LEU A 65 14.212 -5.100 -11.407 1.00 0.00 O ATOM 966 CB LEU A 65 11.244 -5.057 -9.850 1.00 0.00 C ATOM 967 CG LEU A 65 10.019 -5.918 -9.540 1.00 0.00 C ATOM 968 CD1 LEU A 65 8.752 -5.079 -9.580 1.00 0.00 C ATOM 969 CD2 LEU A 65 9.922 -7.079 -10.519 1.00 0.00 C ATOM 0 H LEU A 65 12.517 -5.458 -7.677 1.00 0.00 H new ATOM 0 HA LEU A 65 12.572 -6.674 -10.340 1.00 0.00 H new ATOM 0 HB2 LEU A 65 11.247 -4.206 -9.168 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.136 -4.657 -10.858 1.00 0.00 H new ATOM 0 HG LEU A 65 10.130 -6.324 -8.534 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.891 -5.709 -9.357 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.820 -4.282 -8.840 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.635 -4.643 -10.572 1.00 0.00 H new ATOM 0 HD21 LEU A 65 9.044 -7.681 -10.283 1.00 0.00 H new ATOM 0 HD22 LEU A 65 9.835 -6.692 -11.534 1.00 0.00 H new ATOM 0 HD23 LEU A 65 10.817 -7.696 -10.441 1.00 0.00 H new ATOM 981 N LEU A 66 14.040 -3.815 -9.568 1.00 0.00 N ATOM 982 CA LEU A 66 15.074 -2.878 -9.993 1.00 0.00 C ATOM 983 C LEU A 66 16.187 -3.599 -10.745 1.00 0.00 C ATOM 984 O LEU A 66 16.688 -3.107 -11.757 1.00 0.00 O ATOM 985 CB LEU A 66 15.653 -2.144 -8.782 1.00 0.00 C ATOM 986 CG LEU A 66 14.659 -1.333 -7.950 1.00 0.00 C ATOM 987 CD1 LEU A 66 15.132 -1.225 -6.508 1.00 0.00 C ATOM 988 CD2 LEU A 66 14.461 0.050 -8.553 1.00 0.00 C ATOM 0 H LEU A 66 13.621 -3.599 -8.664 1.00 0.00 H new ATOM 0 HA LEU A 66 14.618 -2.152 -10.666 1.00 0.00 H new ATOM 0 HB2 LEU A 66 16.128 -2.878 -8.131 1.00 0.00 H new ATOM 0 HB3 LEU A 66 16.438 -1.472 -9.130 1.00 0.00 H new ATOM 0 HG LEU A 66 13.700 -1.852 -7.959 1.00 0.00 H new ATOM 0 HD11 LEU A 66 14.412 -0.644 -5.931 1.00 0.00 H new ATOM 0 HD12 LEU A 66 15.221 -2.223 -6.078 1.00 0.00 H new ATOM 0 HD13 LEU A 66 16.103 -0.730 -6.480 1.00 0.00 H new ATOM 0 HD21 LEU A 66 13.750 0.613 -7.947 1.00 0.00 H new ATOM 0 HD22 LEU A 66 15.415 0.577 -8.576 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.076 -0.047 -9.568 1.00 0.00 H new ATOM 1000 N LEU A 67 16.569 -4.770 -10.246 1.00 0.00 N ATOM 1001 CA LEU A 67 17.622 -5.561 -10.872 1.00 0.00 C ATOM 1002 C LEU A 67 17.292 -5.849 -12.333 1.00 0.00 C ATOM 1003 O LEU A 67 16.231 -5.467 -12.827 1.00 0.00 O ATOM 1004 CB LEU A 67 17.819 -6.875 -10.113 1.00 0.00 C ATOM 1005 CG LEU A 67 18.842 -6.847 -8.977 1.00 0.00 C ATOM 1006 CD1 LEU A 67 18.355 -5.959 -7.843 1.00 0.00 C ATOM 1007 CD2 LEU A 67 19.117 -8.256 -8.473 1.00 0.00 C ATOM 0 H LEU A 67 16.165 -5.192 -9.410 1.00 0.00 H new ATOM 0 HA LEU A 67 18.546 -4.984 -10.835 1.00 0.00 H new ATOM 0 HB2 LEU A 67 16.857 -7.181 -9.702 1.00 0.00 H new ATOM 0 HB3 LEU A 67 18.119 -7.642 -10.827 1.00 0.00 H new ATOM 0 HG LEU A 67 19.773 -6.432 -9.362 1.00 0.00 H new ATOM 0 HD11 LEU A 67 19.096 -5.951 -7.043 1.00 0.00 H new ATOM 0 HD12 LEU A 67 18.209 -4.944 -8.213 1.00 0.00 H new ATOM 0 HD13 LEU A 67 17.411 -6.344 -7.459 1.00 0.00 H new ATOM 0 HD21 LEU A 67 19.847 -8.217 -7.665 1.00 0.00 H new ATOM 0 HD22 LEU A 67 18.191 -8.698 -8.105 1.00 0.00 H new ATOM 0 HD23 LEU A 67 19.510 -8.864 -9.288 1.00 0.00 H new ATOM 1019 N ALA A 68 18.206 -6.527 -13.019 1.00 0.00 N ATOM 1020 CA ALA A 68 18.010 -6.870 -14.422 1.00 0.00 C ATOM 1021 C ALA A 68 16.893 -7.895 -14.585 1.00 0.00 C ATOM 1022 O ALA A 68 16.737 -8.813 -13.779 1.00 0.00 O ATOM 1023 CB ALA A 68 19.305 -7.397 -15.022 1.00 0.00 C ATOM 0 H ALA A 68 19.090 -6.850 -12.626 1.00 0.00 H new ATOM 0 HA ALA A 68 17.718 -5.965 -14.955 1.00 0.00 H new ATOM 0 HB1 ALA A 68 19.144 -7.649 -16.070 1.00 0.00 H new ATOM 0 HB2 ALA A 68 20.078 -6.632 -14.947 1.00 0.00 H new ATOM 0 HB3 ALA A 68 19.622 -8.287 -14.479 1.00 0.00 H new ATOM 1029 N PRO A 69 16.096 -7.738 -15.652 1.00 0.00 N ATOM 1030 CA PRO A 69 14.979 -8.641 -15.946 1.00 0.00 C ATOM 1031 C PRO A 69 15.452 -10.025 -16.380 1.00 0.00 C ATOM 1032 O PRO A 69 14.656 -10.848 -16.833 1.00 0.00 O ATOM 1033 CB PRO A 69 14.250 -7.941 -17.095 1.00 0.00 C ATOM 1034 CG PRO A 69 15.292 -7.103 -17.752 1.00 0.00 C ATOM 1035 CD PRO A 69 16.224 -6.667 -16.655 1.00 0.00 C ATOM 0 HA PRO A 69 14.354 -8.815 -15.070 1.00 0.00 H new ATOM 0 HB2 PRO A 69 13.825 -8.663 -17.792 1.00 0.00 H new ATOM 0 HB3 PRO A 69 13.425 -7.331 -16.727 1.00 0.00 H new ATOM 0 HG2 PRO A 69 15.825 -7.670 -18.515 1.00 0.00 H new ATOM 0 HG3 PRO A 69 14.845 -6.242 -18.249 1.00 0.00 H new ATOM 0 HD2 PRO A 69 17.249 -6.572 -17.013 1.00 0.00 H new ATOM 0 HD3 PRO A 69 15.938 -5.698 -16.246 1.00 0.00 H new ATOM 1043 N GLN A 70 16.749 -10.274 -16.237 1.00 0.00 N ATOM 1044 CA GLN A 70 17.326 -11.559 -16.615 1.00 0.00 C ATOM 1045 C GLN A 70 16.474 -12.712 -16.096 1.00 0.00 C ATOM 1046 O GLN A 70 16.126 -13.625 -16.844 1.00 0.00 O ATOM 1047 CB GLN A 70 18.752 -11.680 -16.076 1.00 0.00 C ATOM 1048 CG GLN A 70 19.463 -12.950 -16.514 1.00 0.00 C ATOM 1049 CD GLN A 70 20.966 -12.775 -16.608 1.00 0.00 C ATOM 1050 OE1 GLN A 70 21.458 -11.693 -16.931 1.00 0.00 O ATOM 1051 NE2 GLN A 70 21.705 -13.842 -16.326 1.00 0.00 N ATOM 0 H GLN A 70 17.420 -9.604 -15.862 1.00 0.00 H new ATOM 0 HA GLN A 70 17.351 -11.611 -17.703 1.00 0.00 H new ATOM 0 HB2 GLN A 70 19.331 -10.817 -16.406 1.00 0.00 H new ATOM 0 HB3 GLN A 70 18.724 -11.647 -14.987 1.00 0.00 H new ATOM 0 HG2 GLN A 70 19.238 -13.750 -15.808 1.00 0.00 H new ATOM 0 HG3 GLN A 70 19.076 -13.262 -17.484 1.00 0.00 H new ATOM 0 HE21 GLN A 70 21.255 -14.719 -16.063 1.00 0.00 H new ATOM 0 HE22 GLN A 70 22.722 -13.785 -16.373 1.00 0.00 H new ATOM 1060 N GLU A 71 16.142 -12.664 -14.810 1.00 0.00 N ATOM 1061 CA GLU A 71 15.331 -13.706 -14.191 1.00 0.00 C ATOM 1062 C GLU A 71 14.283 -13.100 -13.262 1.00 0.00 C ATOM 1063 O GLU A 71 14.614 -12.535 -12.220 1.00 0.00 O ATOM 1064 CB GLU A 71 16.219 -14.678 -13.411 1.00 0.00 C ATOM 1065 CG GLU A 71 17.023 -15.613 -14.299 1.00 0.00 C ATOM 1066 CD GLU A 71 17.537 -16.829 -13.551 1.00 0.00 C ATOM 1067 OE1 GLU A 71 16.731 -17.745 -13.285 1.00 0.00 O ATOM 1068 OE2 GLU A 71 18.744 -16.863 -13.232 1.00 0.00 O ATOM 0 H GLU A 71 16.422 -11.915 -14.177 1.00 0.00 H new ATOM 0 HA GLU A 71 14.817 -14.250 -14.984 1.00 0.00 H new ATOM 0 HB2 GLU A 71 16.904 -14.108 -12.784 1.00 0.00 H new ATOM 0 HB3 GLU A 71 15.595 -15.272 -12.743 1.00 0.00 H new ATOM 0 HG2 GLU A 71 16.402 -15.940 -15.133 1.00 0.00 H new ATOM 0 HG3 GLU A 71 17.867 -15.069 -14.724 1.00 0.00 H new ATOM 1075 N SER A 72 13.017 -13.223 -13.648 1.00 0.00 N ATOM 1076 CA SER A 72 11.920 -12.684 -12.852 1.00 0.00 C ATOM 1077 C SER A 72 10.801 -13.711 -12.704 1.00 0.00 C ATOM 1078 O SER A 72 10.851 -14.789 -13.296 1.00 0.00 O ATOM 1079 CB SER A 72 11.374 -11.408 -13.496 1.00 0.00 C ATOM 1080 OG SER A 72 12.054 -10.262 -13.014 1.00 0.00 O ATOM 0 H SER A 72 12.726 -13.691 -14.506 1.00 0.00 H new ATOM 0 HA SER A 72 12.305 -12.446 -11.861 1.00 0.00 H new ATOM 0 HB2 SER A 72 11.481 -11.469 -14.579 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.308 -11.318 -13.285 1.00 0.00 H new ATOM 0 HG SER A 72 11.688 -9.460 -13.442 1.00 0.00 H new ATOM 1086 N SER A 73 9.794 -13.367 -11.908 1.00 0.00 N ATOM 1087 CA SER A 73 8.664 -14.260 -11.677 1.00 0.00 C ATOM 1088 C SER A 73 7.383 -13.465 -11.444 1.00 0.00 C ATOM 1089 O SER A 73 7.286 -12.687 -10.496 1.00 0.00 O ATOM 1090 CB SER A 73 8.940 -15.168 -10.477 1.00 0.00 C ATOM 1091 OG SER A 73 10.129 -15.915 -10.667 1.00 0.00 O ATOM 0 H SER A 73 9.737 -12.477 -11.412 1.00 0.00 H new ATOM 0 HA SER A 73 8.532 -14.876 -12.566 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.026 -14.565 -9.573 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.100 -15.847 -10.329 1.00 0.00 H new ATOM 0 HG SER A 73 10.285 -16.486 -9.886 1.00 0.00 H new ATOM 1097 N GLY A 74 6.400 -13.668 -12.316 1.00 0.00 N ATOM 1098 CA GLY A 74 5.137 -12.964 -12.189 1.00 0.00 C ATOM 1099 C GLY A 74 4.039 -13.586 -13.028 1.00 0.00 C ATOM 1100 O GLY A 74 4.297 -14.350 -13.958 1.00 0.00 O ATOM 0 H GLY A 74 6.456 -14.308 -13.108 1.00 0.00 H new ATOM 0 HA2 GLY A 74 4.831 -12.959 -11.143 1.00 0.00 H new ATOM 0 HA3 GLY A 74 5.273 -11.924 -12.487 1.00 0.00 H new ATOM 1104 N PRO A 75 2.781 -13.260 -12.699 1.00 0.00 N ATOM 1105 CA PRO A 75 1.614 -13.782 -13.417 1.00 0.00 C ATOM 1106 C PRO A 75 1.497 -13.212 -14.826 1.00 0.00 C ATOM 1107 O PRO A 75 2.038 -12.147 -15.122 1.00 0.00 O ATOM 1108 CB PRO A 75 0.434 -13.324 -12.556 1.00 0.00 C ATOM 1109 CG PRO A 75 0.934 -12.118 -11.838 1.00 0.00 C ATOM 1110 CD PRO A 75 2.400 -12.355 -11.602 1.00 0.00 C ATOM 0 HA PRO A 75 1.668 -14.862 -13.551 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.435 -13.087 -13.170 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.128 -14.102 -11.857 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.775 -11.217 -12.430 1.00 0.00 H new ATOM 0 HG3 PRO A 75 0.405 -11.977 -10.896 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.967 -11.425 -11.633 1.00 0.00 H new ATOM 0 HD3 PRO A 75 2.582 -12.807 -10.627 1.00 0.00 H new ATOM 1118 N SER A 76 0.788 -13.929 -15.692 1.00 0.00 N ATOM 1119 CA SER A 76 0.603 -13.496 -17.072 1.00 0.00 C ATOM 1120 C SER A 76 -0.523 -12.471 -17.174 1.00 0.00 C ATOM 1121 O SER A 76 -1.492 -12.521 -16.418 1.00 0.00 O ATOM 1122 CB SER A 76 0.299 -14.697 -17.970 1.00 0.00 C ATOM 1123 OG SER A 76 1.454 -15.494 -18.165 1.00 0.00 O ATOM 0 H SER A 76 0.332 -14.812 -15.462 1.00 0.00 H new ATOM 0 HA SER A 76 1.528 -13.027 -17.407 1.00 0.00 H new ATOM 0 HB2 SER A 76 -0.491 -15.300 -17.521 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.074 -14.349 -18.934 1.00 0.00 H new ATOM 0 HG SER A 76 1.233 -16.256 -18.741 1.00 0.00 H new ATOM 1129 N SER A 77 -0.387 -11.543 -18.116 1.00 0.00 N ATOM 1130 CA SER A 77 -1.390 -10.504 -18.316 1.00 0.00 C ATOM 1131 C SER A 77 -1.505 -9.615 -17.081 1.00 0.00 C ATOM 1132 O SER A 77 -2.603 -9.246 -16.668 1.00 0.00 O ATOM 1133 CB SER A 77 -2.748 -11.131 -18.635 1.00 0.00 C ATOM 1134 OG SER A 77 -3.731 -10.135 -18.857 1.00 0.00 O ATOM 0 H SER A 77 0.408 -11.490 -18.753 1.00 0.00 H new ATOM 0 HA SER A 77 -1.076 -9.888 -19.158 1.00 0.00 H new ATOM 0 HB2 SER A 77 -2.661 -11.764 -19.518 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.057 -11.774 -17.811 1.00 0.00 H new ATOM 0 HG SER A 77 -3.678 -9.460 -18.149 1.00 0.00 H new ATOM 1140 N GLY A 78 -0.361 -9.276 -16.495 1.00 0.00 N ATOM 1141 CA GLY A 78 -0.354 -8.434 -15.313 1.00 0.00 C ATOM 1142 C GLY A 78 -1.494 -8.753 -14.367 1.00 0.00 C ATOM 1143 O GLY A 78 -1.260 -8.870 -13.165 1.00 0.00 O ATOM 0 H GLY A 78 0.561 -9.569 -16.818 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.594 -8.557 -14.789 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.418 -7.389 -15.615 1.00 0.00 H new TER 1147 GLY A 78 HETATM 1148 ZN ZN A 201 -8.112 0.697 4.265 1.00 0.00 ZN HETATM 1149 ZN ZN A 401 5.311 -0.006 -5.791 1.00 0.00 ZN