USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 580 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 THR OG1 : rot 180:sc= -0.242 USER MOD Set 1.2: A 40 HIS : no HD1:sc= -1.22 X(o=-1.5,f=-1.4) USER MOD Set 2.1: A 10 TYR OH : rot 101:sc= -1.27 USER MOD Set 2.2: A 53 GLN : amide:sc= -0.616 K(o=-1.9,f=-6.4!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.157 USER MOD Single : A 3 ASN : amide:sc= -0.292 K(o=-0.29,f=-0.81) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 38:sc= 0.329 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -7.16! C(o=-7.2!,f=-9.6!) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.0219 K(o=-0.022,f=-1.2) USER MOD Single : A 41 THR OG1 : rot -18:sc= -0.951 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= -0.374 (180deg=-0.374) USER MOD Single : A 46 SER OG : rot 180:sc= 0.0483 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.152 K(o=-0.15,f=-3.6!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.829 10.232 -7.568 1.00 0.00 N ATOM 2 CA ALA A 1 -12.337 11.142 -6.525 1.00 0.00 C ATOM 3 C ALA A 1 -11.677 12.540 -6.611 1.00 0.00 C ATOM 4 O ALA A 1 -11.666 13.137 -7.681 1.00 0.00 O ATOM 5 CB ALA A 1 -12.182 10.420 -5.175 1.00 0.00 C ATOM 0 H1 ALA A 1 -12.294 9.306 -7.478 1.00 0.00 H new ATOM 0 H2 ALA A 1 -12.032 10.632 -8.506 1.00 0.00 H new ATOM 0 H3 ALA A 1 -10.802 10.115 -7.456 1.00 0.00 H new ATOM 0 HA ALA A 1 -13.395 11.365 -6.664 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -12.548 11.063 -4.374 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -12.758 9.494 -5.189 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -11.130 10.191 -5.004 1.00 0.00 H new ATOM 13 N SER A 2 -11.103 13.027 -5.505 1.00 0.00 N ATOM 14 CA SER A 2 -10.365 14.312 -5.464 1.00 0.00 C ATOM 15 C SER A 2 -9.135 14.258 -6.409 1.00 0.00 C ATOM 16 O SER A 2 -8.924 13.292 -7.133 1.00 0.00 O ATOM 17 CB SER A 2 -9.966 14.557 -4.003 1.00 0.00 C ATOM 18 OG SER A 2 -9.579 15.923 -3.830 1.00 0.00 O ATOM 0 H SER A 2 -11.133 12.546 -4.606 1.00 0.00 H new ATOM 0 HA SER A 2 -10.983 15.138 -5.816 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.801 14.319 -3.344 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.143 13.898 -3.726 1.00 0.00 H new ATOM 0 HG SER A 2 -9.326 16.076 -2.895 1.00 0.00 H new ATOM 24 N ASN A 3 -8.220 15.203 -6.231 1.00 0.00 N ATOM 25 CA ASN A 3 -6.953 15.238 -6.999 1.00 0.00 C ATOM 26 C ASN A 3 -5.878 14.277 -6.423 1.00 0.00 C ATOM 27 O ASN A 3 -4.708 14.326 -6.785 1.00 0.00 O ATOM 28 CB ASN A 3 -6.441 16.680 -7.056 1.00 0.00 C ATOM 29 CG ASN A 3 -6.265 17.267 -5.653 1.00 0.00 C ATOM 30 OD1 ASN A 3 -7.177 17.778 -5.030 1.00 0.00 O ATOM 31 ND2 ASN A 3 -5.129 16.996 -5.058 1.00 0.00 N ATOM 0 H ASN A 3 -8.320 15.965 -5.561 1.00 0.00 H new ATOM 0 HA ASN A 3 -7.157 14.883 -8.009 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -5.489 16.709 -7.586 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -7.140 17.294 -7.624 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -5.007 17.213 -4.069 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -4.367 16.568 -5.584 1.00 0.00 H new ATOM 38 N TYR A 4 -6.338 13.385 -5.549 1.00 0.00 N ATOM 39 CA TYR A 4 -5.498 12.384 -4.866 1.00 0.00 C ATOM 40 C TYR A 4 -5.590 11.009 -5.554 1.00 0.00 C ATOM 41 O TYR A 4 -5.673 9.953 -4.934 1.00 0.00 O ATOM 42 CB TYR A 4 -5.940 12.314 -3.396 1.00 0.00 C ATOM 43 CG TYR A 4 -5.341 13.382 -2.458 1.00 0.00 C ATOM 44 CD1 TYR A 4 -4.744 14.567 -2.946 1.00 0.00 C ATOM 45 CD2 TYR A 4 -5.300 13.054 -1.080 1.00 0.00 C ATOM 46 CE1 TYR A 4 -4.047 15.415 -2.058 1.00 0.00 C ATOM 47 CE2 TYR A 4 -4.619 13.895 -0.187 1.00 0.00 C ATOM 48 CZ TYR A 4 -3.991 15.064 -0.692 1.00 0.00 C ATOM 49 OH TYR A 4 -3.280 15.846 0.157 1.00 0.00 O ATOM 0 H TYR A 4 -7.322 13.330 -5.286 1.00 0.00 H new ATOM 0 HA TYR A 4 -4.450 12.680 -4.919 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -7.026 12.395 -3.360 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -5.681 11.330 -3.006 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -4.821 14.822 -3.993 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -5.790 12.162 -0.719 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -3.567 16.313 -2.416 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -4.573 13.657 0.866 1.00 0.00 H new ATOM 0 HH TYR A 4 -3.335 15.479 1.064 1.00 0.00 H new ATOM 59 N ASP A 5 -5.515 11.051 -6.883 1.00 0.00 N ATOM 60 CA ASP A 5 -5.557 9.849 -7.732 1.00 0.00 C ATOM 61 C ASP A 5 -4.354 9.799 -8.670 1.00 0.00 C ATOM 62 O ASP A 5 -4.473 9.876 -9.891 1.00 0.00 O ATOM 63 CB ASP A 5 -6.888 9.829 -8.503 1.00 0.00 C ATOM 64 CG ASP A 5 -8.001 9.071 -7.772 1.00 0.00 C ATOM 65 OD1 ASP A 5 -8.274 9.411 -6.596 1.00 0.00 O ATOM 66 OD2 ASP A 5 -8.524 8.117 -8.390 1.00 0.00 O ATOM 0 H ASP A 5 -5.423 11.920 -7.409 1.00 0.00 H new ATOM 0 HA ASP A 5 -5.501 8.957 -7.108 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -7.212 10.854 -8.681 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -6.727 9.372 -9.479 1.00 0.00 H new ATOM 72 N CYS A 6 -3.169 9.765 -8.061 1.00 0.00 N ATOM 73 CA CYS A 6 -1.899 9.700 -8.811 1.00 0.00 C ATOM 74 C CYS A 6 -1.783 8.389 -9.592 1.00 0.00 C ATOM 75 O CYS A 6 -1.745 8.394 -10.821 1.00 0.00 O ATOM 76 CB CYS A 6 -0.726 9.907 -7.867 1.00 0.00 C ATOM 77 SG CYS A 6 0.814 9.032 -8.360 1.00 0.00 S ATOM 0 H CYS A 6 -3.054 9.781 -7.048 1.00 0.00 H new ATOM 0 HA CYS A 6 -1.884 10.504 -9.547 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -0.516 10.974 -7.798 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -1.015 9.574 -6.870 1.00 0.00 H new ATOM 82 N CYS A 7 -1.589 7.293 -8.840 1.00 0.00 N ATOM 83 CA CYS A 7 -1.534 5.937 -9.395 1.00 0.00 C ATOM 84 C CYS A 7 -2.692 5.766 -10.382 1.00 0.00 C ATOM 85 O CYS A 7 -3.669 6.500 -10.286 1.00 0.00 O ATOM 86 CB CYS A 7 -1.691 4.963 -8.232 1.00 0.00 C ATOM 87 SG CYS A 7 -0.217 3.947 -7.891 1.00 0.00 S ATOM 0 H CYS A 7 -1.466 7.326 -7.828 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.594 5.754 -9.915 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -1.943 5.527 -7.334 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.532 4.302 -8.440 1.00 0.00 H new ATOM 92 N LEU A 8 -2.562 4.779 -11.273 1.00 0.00 N ATOM 93 CA LEU A 8 -3.577 4.482 -12.313 1.00 0.00 C ATOM 94 C LEU A 8 -5.036 4.655 -11.842 1.00 0.00 C ATOM 95 O LEU A 8 -5.874 5.176 -12.578 1.00 0.00 O ATOM 96 CB LEU A 8 -3.390 3.066 -12.869 1.00 0.00 C ATOM 97 CG LEU A 8 -2.285 3.061 -13.934 1.00 0.00 C ATOM 98 CD1 LEU A 8 -1.153 2.131 -13.517 1.00 0.00 C ATOM 99 CD2 LEU A 8 -2.881 2.631 -15.278 1.00 0.00 C ATOM 0 H LEU A 8 -1.754 4.158 -11.302 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.408 5.224 -13.094 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.131 2.381 -12.062 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.325 2.710 -13.302 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.872 4.064 -14.036 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.376 2.137 -14.282 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.733 2.471 -12.570 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.539 1.118 -13.400 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.099 2.626 -16.038 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.303 1.630 -15.185 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.665 3.330 -15.569 1.00 0.00 H new ATOM 111 N SER A 9 -5.238 4.344 -10.562 1.00 0.00 N ATOM 112 CA SER A 9 -6.458 4.576 -9.788 1.00 0.00 C ATOM 113 C SER A 9 -6.198 4.151 -8.346 1.00 0.00 C ATOM 114 O SER A 9 -5.602 3.091 -8.105 1.00 0.00 O ATOM 115 CB SER A 9 -7.649 3.802 -10.369 1.00 0.00 C ATOM 116 OG SER A 9 -7.245 2.465 -10.682 1.00 0.00 O ATOM 0 H SER A 9 -4.511 3.897 -10.004 1.00 0.00 H new ATOM 0 HA SER A 9 -6.714 5.635 -9.830 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.470 3.786 -9.652 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.018 4.301 -11.265 1.00 0.00 H new ATOM 0 HG SER A 9 -8.007 1.971 -11.051 1.00 0.00 H new ATOM 122 N TYR A 10 -6.455 5.077 -7.422 1.00 0.00 N ATOM 123 CA TYR A 10 -6.427 4.807 -5.968 1.00 0.00 C ATOM 124 C TYR A 10 -7.077 3.443 -5.687 1.00 0.00 C ATOM 125 O TYR A 10 -7.823 2.929 -6.527 1.00 0.00 O ATOM 126 CB TYR A 10 -7.218 5.897 -5.230 1.00 0.00 C ATOM 127 CG TYR A 10 -7.224 5.729 -3.696 1.00 0.00 C ATOM 128 CD1 TYR A 10 -6.019 5.923 -2.997 1.00 0.00 C ATOM 129 CD2 TYR A 10 -8.436 5.405 -3.039 1.00 0.00 C ATOM 130 CE1 TYR A 10 -6.017 5.774 -1.597 1.00 0.00 C ATOM 131 CE2 TYR A 10 -8.428 5.267 -1.626 1.00 0.00 C ATOM 132 CZ TYR A 10 -7.221 5.449 -0.936 1.00 0.00 C ATOM 133 OH TYR A 10 -7.167 5.167 0.408 1.00 0.00 O ATOM 0 H TYR A 10 -6.690 6.042 -7.653 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.393 4.802 -5.623 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -6.796 6.871 -5.478 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -8.247 5.894 -5.591 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -5.113 6.181 -3.524 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -9.348 5.266 -3.601 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.104 5.907 -1.035 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -9.335 5.026 -1.092 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.460 5.950 0.919 1.00 0.00 H new ATOM 143 N ILE A 11 -6.749 2.864 -4.540 1.00 0.00 N ATOM 144 CA ILE A 11 -7.321 1.579 -4.115 1.00 0.00 C ATOM 145 C ILE A 11 -8.848 1.639 -4.063 1.00 0.00 C ATOM 146 O ILE A 11 -9.481 1.937 -3.051 1.00 0.00 O ATOM 147 CB ILE A 11 -6.673 1.078 -2.808 1.00 0.00 C ATOM 148 CG1 ILE A 11 -7.048 -0.376 -2.502 1.00 0.00 C ATOM 149 CG2 ILE A 11 -7.026 1.929 -1.580 1.00 0.00 C ATOM 150 CD1 ILE A 11 -6.917 -1.314 -3.699 1.00 0.00 C ATOM 0 H ILE A 11 -6.084 3.263 -3.877 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.080 0.829 -4.869 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.602 1.161 -2.990 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.414 -0.742 -1.695 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.075 -0.407 -2.139 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.535 1.517 -0.698 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.688 2.953 -1.738 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.106 1.922 -1.431 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.200 -2.324 -3.402 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.572 -0.974 -4.501 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.885 -1.315 -4.050 1.00 0.00 H new ATOM 162 N GLN A 12 -9.410 1.290 -5.206 1.00 0.00 N ATOM 163 CA GLN A 12 -10.875 1.294 -5.378 1.00 0.00 C ATOM 164 C GLN A 12 -11.549 0.331 -4.379 1.00 0.00 C ATOM 165 O GLN A 12 -12.708 0.512 -4.034 1.00 0.00 O ATOM 166 CB GLN A 12 -11.268 0.959 -6.822 1.00 0.00 C ATOM 167 CG GLN A 12 -10.919 -0.478 -7.218 1.00 0.00 C ATOM 168 CD GLN A 12 -11.567 -0.820 -8.557 1.00 0.00 C ATOM 169 OE1 GLN A 12 -12.642 -1.392 -8.648 1.00 0.00 O ATOM 170 NE2 GLN A 12 -10.876 -0.492 -9.620 1.00 0.00 N ATOM 0 H GLN A 12 -8.888 0.999 -6.033 1.00 0.00 H new ATOM 0 HA GLN A 12 -11.233 2.302 -5.167 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -12.340 1.114 -6.947 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -10.765 1.649 -7.499 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.837 -0.593 -7.288 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -11.264 -1.170 -6.450 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -9.980 -0.015 -9.519 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.233 -0.714 -10.549 1.00 0.00 H new ATOM 179 N THR A 13 -10.743 -0.621 -3.916 1.00 0.00 N ATOM 180 CA THR A 13 -11.124 -1.671 -2.964 1.00 0.00 C ATOM 181 C THR A 13 -9.964 -2.125 -2.076 1.00 0.00 C ATOM 182 O THR A 13 -9.073 -2.843 -2.531 1.00 0.00 O ATOM 183 CB THR A 13 -11.853 -2.806 -3.700 1.00 0.00 C ATOM 184 OG1 THR A 13 -13.218 -2.422 -3.611 1.00 0.00 O ATOM 185 CG2 THR A 13 -11.692 -4.237 -3.156 1.00 0.00 C ATOM 0 H THR A 13 -9.766 -0.688 -4.203 1.00 0.00 H new ATOM 0 HA THR A 13 -11.834 -1.253 -2.250 1.00 0.00 H new ATOM 0 HB THR A 13 -11.427 -2.895 -4.699 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.291 -1.450 -3.709 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.262 -4.928 -3.776 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.639 -4.517 -3.175 1.00 0.00 H new ATOM 0 HG23 THR A 13 -12.061 -4.280 -2.131 1.00 0.00 H new ATOM 193 N PRO A 14 -10.030 -1.766 -0.792 1.00 0.00 N ATOM 194 CA PRO A 14 -9.034 -2.199 0.189 1.00 0.00 C ATOM 195 C PRO A 14 -9.092 -3.699 0.477 1.00 0.00 C ATOM 196 O PRO A 14 -10.007 -4.189 1.125 1.00 0.00 O ATOM 197 CB PRO A 14 -9.318 -1.347 1.419 1.00 0.00 C ATOM 198 CG PRO A 14 -10.729 -0.781 1.295 1.00 0.00 C ATOM 199 CD PRO A 14 -11.036 -0.858 -0.198 1.00 0.00 C ATOM 0 HA PRO A 14 -8.017 -2.057 -0.177 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -9.228 -1.946 2.325 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -8.590 -0.539 1.497 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -11.443 -1.362 1.879 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -10.779 0.245 1.659 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -12.045 -1.235 -0.367 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -10.984 0.130 -0.655 1.00 0.00 H new ATOM 207 N LEU A 15 -8.103 -4.407 -0.052 1.00 0.00 N ATOM 208 CA LEU A 15 -8.052 -5.873 0.084 1.00 0.00 C ATOM 209 C LEU A 15 -7.189 -6.323 1.282 1.00 0.00 C ATOM 210 O LEU A 15 -6.405 -5.516 1.776 1.00 0.00 O ATOM 211 CB LEU A 15 -7.627 -6.499 -1.254 1.00 0.00 C ATOM 212 CG LEU A 15 -6.405 -5.829 -1.866 1.00 0.00 C ATOM 213 CD1 LEU A 15 -5.498 -6.945 -2.321 1.00 0.00 C ATOM 214 CD2 LEU A 15 -6.802 -4.950 -3.061 1.00 0.00 C ATOM 0 H LEU A 15 -7.327 -4.003 -0.577 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.051 -6.242 0.317 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.416 -7.557 -1.102 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.458 -6.438 -1.957 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.913 -5.180 -1.142 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.599 -6.523 -2.771 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.221 -7.560 -1.465 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.018 -7.559 -3.056 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.911 -4.482 -3.481 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.281 -5.566 -3.822 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.496 -4.177 -2.730 1.00 0.00 H new ATOM 226 N PRO A 16 -7.402 -7.503 1.885 1.00 0.00 N ATOM 227 CA PRO A 16 -6.639 -7.897 3.087 1.00 0.00 C ATOM 228 C PRO A 16 -5.169 -8.183 2.743 1.00 0.00 C ATOM 229 O PRO A 16 -4.887 -8.660 1.649 1.00 0.00 O ATOM 230 CB PRO A 16 -7.363 -9.141 3.608 1.00 0.00 C ATOM 231 CG PRO A 16 -8.020 -9.748 2.362 1.00 0.00 C ATOM 232 CD PRO A 16 -8.345 -8.554 1.468 1.00 0.00 C ATOM 0 HA PRO A 16 -6.604 -7.108 3.838 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.668 -9.841 4.072 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.105 -8.882 4.363 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.348 -10.445 1.861 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.921 -10.304 2.622 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.219 -8.803 0.414 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -9.378 -8.232 1.598 1.00 0.00 H new ATOM 240 N SER A 17 -4.295 -8.101 3.750 1.00 0.00 N ATOM 241 CA SER A 17 -2.849 -8.412 3.590 1.00 0.00 C ATOM 242 C SER A 17 -2.569 -9.893 3.267 1.00 0.00 C ATOM 243 O SER A 17 -1.513 -10.227 2.729 1.00 0.00 O ATOM 244 CB SER A 17 -2.012 -8.004 4.805 1.00 0.00 C ATOM 245 OG SER A 17 -2.341 -8.825 5.932 1.00 0.00 O ATOM 0 H SER A 17 -4.554 -7.821 4.696 1.00 0.00 H new ATOM 0 HA SER A 17 -2.547 -7.811 2.733 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.951 -8.100 4.574 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.192 -6.956 5.044 1.00 0.00 H new ATOM 0 HG SER A 17 -1.798 -8.556 6.702 1.00 0.00 H new ATOM 251 N ARG A 18 -3.632 -10.690 3.320 1.00 0.00 N ATOM 252 CA ARG A 18 -3.637 -12.123 2.963 1.00 0.00 C ATOM 253 C ARG A 18 -3.702 -12.370 1.441 1.00 0.00 C ATOM 254 O ARG A 18 -3.846 -13.499 0.973 1.00 0.00 O ATOM 255 CB ARG A 18 -4.837 -12.740 3.671 1.00 0.00 C ATOM 256 CG ARG A 18 -4.357 -13.899 4.540 1.00 0.00 C ATOM 257 CD ARG A 18 -5.485 -14.419 5.444 1.00 0.00 C ATOM 258 NE ARG A 18 -5.660 -13.565 6.642 1.00 0.00 N ATOM 259 CZ ARG A 18 -4.850 -13.530 7.714 1.00 0.00 C ATOM 260 NH1 ARG A 18 -3.750 -14.269 7.788 1.00 0.00 N ATOM 261 NH2 ARG A 18 -5.138 -12.734 8.732 1.00 0.00 N ATOM 0 H ARG A 18 -4.547 -10.355 3.621 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.701 -12.582 3.280 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.338 -11.991 4.285 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.565 -13.093 2.941 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.994 -14.707 3.905 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.517 -13.574 5.153 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.418 -14.452 4.881 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.263 -15.440 5.754 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.471 -12.946 6.654 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.498 -14.887 7.017 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.157 -14.219 8.616 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.973 -12.149 8.702 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.525 -12.706 9.547 1.00 0.00 H new ATOM 275 N ALA A 19 -3.646 -11.280 0.687 1.00 0.00 N ATOM 276 CA ALA A 19 -3.628 -11.301 -0.778 1.00 0.00 C ATOM 277 C ALA A 19 -2.455 -10.487 -1.336 1.00 0.00 C ATOM 278 O ALA A 19 -2.284 -10.430 -2.547 1.00 0.00 O ATOM 279 CB ALA A 19 -4.972 -10.751 -1.275 1.00 0.00 C ATOM 0 H ALA A 19 -3.611 -10.339 1.078 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.489 -12.323 -1.131 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.986 -10.755 -2.365 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.782 -11.376 -0.899 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.103 -9.731 -0.914 1.00 0.00 H new ATOM 285 N ILE A 20 -1.549 -10.045 -0.468 1.00 0.00 N ATOM 286 CA ILE A 20 -0.422 -9.183 -0.852 1.00 0.00 C ATOM 287 C ILE A 20 0.832 -10.050 -0.997 1.00 0.00 C ATOM 288 O ILE A 20 1.381 -10.542 -0.007 1.00 0.00 O ATOM 289 CB ILE A 20 -0.299 -8.058 0.189 1.00 0.00 C ATOM 290 CG1 ILE A 20 -1.369 -6.977 -0.001 1.00 0.00 C ATOM 291 CG2 ILE A 20 1.048 -7.347 0.085 1.00 0.00 C ATOM 292 CD1 ILE A 20 -2.857 -7.329 0.031 1.00 0.00 C ATOM 0 H ILE A 20 -1.571 -10.272 0.526 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.573 -8.701 -1.818 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.415 -8.547 1.156 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.202 -6.224 0.769 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.174 -6.500 -0.961 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.102 -6.558 0.835 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.852 -8.064 0.254 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.154 -6.911 -0.909 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -3.448 -6.426 -0.123 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.078 -8.046 -0.759 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.107 -7.766 0.998 1.00 0.00 H new ATOM 304 N VAL A 21 1.235 -10.192 -2.247 1.00 0.00 N ATOM 305 CA VAL A 21 2.455 -10.940 -2.600 1.00 0.00 C ATOM 306 C VAL A 21 3.721 -10.085 -2.427 1.00 0.00 C ATOM 307 O VAL A 21 4.721 -10.552 -1.875 1.00 0.00 O ATOM 308 CB VAL A 21 2.265 -11.613 -3.975 1.00 0.00 C ATOM 309 CG1 VAL A 21 3.213 -11.186 -5.111 1.00 0.00 C ATOM 310 CG2 VAL A 21 2.349 -13.120 -3.782 1.00 0.00 C ATOM 0 H VAL A 21 0.740 -9.801 -3.048 1.00 0.00 H new ATOM 0 HA VAL A 21 2.621 -11.757 -1.898 1.00 0.00 H new ATOM 0 HB VAL A 21 1.289 -11.273 -4.320 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.966 -11.738 -6.018 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.102 -10.117 -5.295 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.243 -11.400 -4.825 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.217 -13.618 -4.743 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.324 -13.380 -3.369 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.566 -13.443 -3.096 1.00 0.00 H new ATOM 320 N GLY A 22 3.656 -8.858 -2.934 1.00 0.00 N ATOM 321 CA GLY A 22 4.794 -7.926 -2.933 1.00 0.00 C ATOM 322 C GLY A 22 4.256 -6.512 -3.070 1.00 0.00 C ATOM 323 O GLY A 22 3.181 -6.319 -3.621 1.00 0.00 O ATOM 0 H GLY A 22 2.812 -8.474 -3.360 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.366 -8.026 -2.010 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.472 -8.155 -3.755 1.00 0.00 H new ATOM 327 N PHE A 23 4.771 -5.652 -2.225 1.00 0.00 N ATOM 328 CA PHE A 23 4.345 -4.250 -2.174 1.00 0.00 C ATOM 329 C PHE A 23 5.493 -3.315 -1.835 1.00 0.00 C ATOM 330 O PHE A 23 6.523 -3.748 -1.330 1.00 0.00 O ATOM 331 CB PHE A 23 3.209 -4.063 -1.165 1.00 0.00 C ATOM 332 CG PHE A 23 3.572 -4.433 0.267 1.00 0.00 C ATOM 333 CD1 PHE A 23 3.958 -5.751 0.573 1.00 0.00 C ATOM 334 CD2 PHE A 23 3.526 -3.430 1.260 1.00 0.00 C ATOM 335 CE1 PHE A 23 4.324 -6.102 1.877 1.00 0.00 C ATOM 336 CE2 PHE A 23 3.858 -3.775 2.567 1.00 0.00 C ATOM 337 CZ PHE A 23 4.268 -5.108 2.864 1.00 0.00 C ATOM 0 H PHE A 23 5.497 -5.891 -1.549 1.00 0.00 H new ATOM 0 HA PHE A 23 3.987 -3.993 -3.171 1.00 0.00 H new ATOM 0 HB2 PHE A 23 2.887 -3.022 -1.188 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.358 -4.667 -1.479 1.00 0.00 H new ATOM 0 HD1 PHE A 23 3.972 -6.499 -0.206 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.240 -2.419 1.011 1.00 0.00 H new ATOM 0 HE1 PHE A 23 4.640 -7.107 2.116 1.00 0.00 H new ATOM 0 HE2 PHE A 23 3.805 -3.036 3.353 1.00 0.00 H new ATOM 0 HZ PHE A 23 4.543 -5.359 3.878 1.00 0.00 H new ATOM 347 N THR A 24 5.195 -2.025 -1.952 1.00 0.00 N ATOM 348 CA THR A 24 6.189 -0.969 -1.772 1.00 0.00 C ATOM 349 C THR A 24 5.514 0.284 -1.214 1.00 0.00 C ATOM 350 O THR A 24 4.292 0.412 -1.158 1.00 0.00 O ATOM 351 CB THR A 24 6.893 -0.704 -3.118 1.00 0.00 C ATOM 352 OG1 THR A 24 6.996 -1.929 -3.861 1.00 0.00 O ATOM 353 CG2 THR A 24 8.303 -0.161 -2.910 1.00 0.00 C ATOM 0 H THR A 24 4.261 -1.681 -2.174 1.00 0.00 H new ATOM 0 HA THR A 24 6.948 -1.276 -1.052 1.00 0.00 H new ATOM 0 HB THR A 24 6.299 0.032 -3.660 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.442 -1.756 -4.716 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.772 0.015 -3.878 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.254 0.776 -2.355 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.893 -0.885 -2.348 1.00 0.00 H new ATOM 361 N ARG A 25 6.364 1.199 -0.757 1.00 0.00 N ATOM 362 CA ARG A 25 5.927 2.479 -0.190 1.00 0.00 C ATOM 363 C ARG A 25 5.886 3.570 -1.261 1.00 0.00 C ATOM 364 O ARG A 25 6.665 3.559 -2.214 1.00 0.00 O ATOM 365 CB ARG A 25 6.879 2.923 0.930 1.00 0.00 C ATOM 366 CG ARG A 25 6.828 1.945 2.106 1.00 0.00 C ATOM 367 CD ARG A 25 7.748 2.423 3.227 1.00 0.00 C ATOM 368 NE ARG A 25 6.962 2.954 4.351 1.00 0.00 N ATOM 369 CZ ARG A 25 7.452 3.268 5.553 1.00 0.00 C ATOM 370 NH1 ARG A 25 8.735 3.117 5.842 1.00 0.00 N ATOM 371 NH2 ARG A 25 6.649 3.747 6.491 1.00 0.00 N ATOM 0 H ARG A 25 7.377 1.078 -0.768 1.00 0.00 H new ATOM 0 HA ARG A 25 4.924 2.333 0.212 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.897 2.984 0.545 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.607 3.922 1.270 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.806 1.861 2.475 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.130 0.951 1.776 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.371 1.597 3.570 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.420 3.194 2.850 1.00 0.00 H new ATOM 0 HE ARG A 25 5.963 3.094 4.200 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.377 2.753 5.138 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.082 3.365 6.769 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.656 3.876 6.295 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.023 3.987 7.409 1.00 0.00 H new ATOM 385 N GLN A 26 4.931 4.460 -1.073 1.00 0.00 N ATOM 386 CA GLN A 26 4.737 5.628 -1.938 1.00 0.00 C ATOM 387 C GLN A 26 4.812 6.896 -1.095 1.00 0.00 C ATOM 388 O GLN A 26 3.943 7.164 -0.262 1.00 0.00 O ATOM 389 CB GLN A 26 3.405 5.512 -2.662 1.00 0.00 C ATOM 390 CG GLN A 26 2.944 6.803 -3.334 1.00 0.00 C ATOM 391 CD GLN A 26 1.568 6.628 -3.969 1.00 0.00 C ATOM 392 OE1 GLN A 26 1.354 5.786 -4.815 1.00 0.00 O ATOM 393 NE2 GLN A 26 0.637 7.523 -3.677 1.00 0.00 N ATOM 0 H GLN A 26 4.256 4.400 -0.310 1.00 0.00 H new ATOM 0 HA GLN A 26 5.523 5.674 -2.692 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.482 4.730 -3.417 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.643 5.194 -1.950 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.910 7.607 -2.599 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.665 7.098 -4.096 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.816 8.232 -2.966 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.259 7.504 -4.163 1.00 0.00 H new ATOM 402 N MET A 27 5.826 7.680 -1.413 1.00 0.00 N ATOM 403 CA MET A 27 6.001 9.033 -0.859 1.00 0.00 C ATOM 404 C MET A 27 5.094 10.063 -1.561 1.00 0.00 C ATOM 405 O MET A 27 4.512 9.794 -2.612 1.00 0.00 O ATOM 406 CB MET A 27 7.478 9.467 -0.897 1.00 0.00 C ATOM 407 CG MET A 27 8.161 9.328 -2.261 1.00 0.00 C ATOM 408 SD MET A 27 9.012 7.723 -2.454 1.00 0.00 S ATOM 409 CE MET A 27 9.596 7.880 -4.123 1.00 0.00 C ATOM 0 H MET A 27 6.561 7.406 -2.065 1.00 0.00 H new ATOM 0 HA MET A 27 5.694 8.995 0.186 1.00 0.00 H new ATOM 0 HB2 MET A 27 7.543 10.508 -0.580 1.00 0.00 H new ATOM 0 HB3 MET A 27 8.033 8.876 -0.168 1.00 0.00 H new ATOM 0 HG2 MET A 27 7.417 9.439 -3.050 1.00 0.00 H new ATOM 0 HG3 MET A 27 8.882 10.136 -2.387 1.00 0.00 H new ATOM 0 HE1 MET A 27 10.142 6.979 -4.404 1.00 0.00 H new ATOM 0 HE2 MET A 27 8.748 8.014 -4.794 1.00 0.00 H new ATOM 0 HE3 MET A 27 10.258 8.743 -4.197 1.00 0.00 H new ATOM 419 N ALA A 28 5.119 11.273 -1.032 1.00 0.00 N ATOM 420 CA ALA A 28 4.361 12.415 -1.568 1.00 0.00 C ATOM 421 C ALA A 28 5.338 13.482 -2.098 1.00 0.00 C ATOM 422 O ALA A 28 5.920 14.257 -1.329 1.00 0.00 O ATOM 423 CB ALA A 28 3.461 12.991 -0.478 1.00 0.00 C ATOM 0 H ALA A 28 5.671 11.505 -0.206 1.00 0.00 H new ATOM 0 HA ALA A 28 3.732 12.084 -2.394 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.901 13.836 -0.878 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.766 12.224 -0.137 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.073 13.325 0.360 1.00 0.00 H new ATOM 429 N ASP A 29 5.658 13.350 -3.384 1.00 0.00 N ATOM 430 CA ASP A 29 6.589 14.236 -4.117 1.00 0.00 C ATOM 431 C ASP A 29 6.748 13.840 -5.575 1.00 0.00 C ATOM 432 O ASP A 29 6.725 14.700 -6.452 1.00 0.00 O ATOM 433 CB ASP A 29 8.002 14.271 -3.511 1.00 0.00 C ATOM 434 CG ASP A 29 8.296 15.607 -2.844 1.00 0.00 C ATOM 435 OD1 ASP A 29 8.310 16.624 -3.575 1.00 0.00 O ATOM 436 OD2 ASP A 29 8.646 15.565 -1.641 1.00 0.00 O ATOM 0 H ASP A 29 5.273 12.608 -3.969 1.00 0.00 H new ATOM 0 HA ASP A 29 6.126 15.219 -4.034 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.104 13.469 -2.780 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.738 14.085 -4.293 1.00 0.00 H new ATOM 442 N GLU A 30 7.071 12.562 -5.791 1.00 0.00 N ATOM 443 CA GLU A 30 7.326 11.991 -7.125 1.00 0.00 C ATOM 444 C GLU A 30 6.053 12.088 -7.998 1.00 0.00 C ATOM 445 O GLU A 30 5.213 12.963 -7.793 1.00 0.00 O ATOM 446 CB GLU A 30 7.832 10.555 -6.934 1.00 0.00 C ATOM 447 CG GLU A 30 8.862 10.225 -8.024 1.00 0.00 C ATOM 448 CD GLU A 30 8.618 8.846 -8.645 1.00 0.00 C ATOM 449 OE1 GLU A 30 7.717 8.798 -9.513 1.00 0.00 O ATOM 450 OE2 GLU A 30 9.313 7.897 -8.230 1.00 0.00 O ATOM 0 H GLU A 30 7.165 11.882 -5.037 1.00 0.00 H new ATOM 0 HA GLU A 30 8.093 12.550 -7.661 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.283 10.445 -5.948 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.998 9.855 -6.983 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.822 10.986 -8.803 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.865 10.258 -7.598 1.00 0.00 H new ATOM 457 N ALA A 31 5.827 11.111 -8.887 1.00 0.00 N ATOM 458 CA ALA A 31 4.590 11.015 -9.699 1.00 0.00 C ATOM 459 C ALA A 31 3.321 11.049 -8.829 1.00 0.00 C ATOM 460 O ALA A 31 2.243 11.453 -9.276 1.00 0.00 O ATOM 461 CB ALA A 31 4.642 9.738 -10.544 1.00 0.00 C ATOM 0 H ALA A 31 6.493 10.360 -9.069 1.00 0.00 H new ATOM 0 HA ALA A 31 4.539 11.885 -10.353 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.735 9.661 -11.144 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.510 9.772 -11.202 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.718 8.871 -9.888 1.00 0.00 H new ATOM 467 N CYS A 32 3.498 10.693 -7.557 1.00 0.00 N ATOM 468 CA CYS A 32 2.457 10.798 -6.529 1.00 0.00 C ATOM 469 C CYS A 32 2.675 11.980 -5.606 1.00 0.00 C ATOM 470 O CYS A 32 3.782 12.223 -5.115 1.00 0.00 O ATOM 471 CB CYS A 32 2.400 9.486 -5.753 1.00 0.00 C ATOM 472 SG CYS A 32 1.362 8.225 -6.579 1.00 0.00 S ATOM 0 H CYS A 32 4.379 10.318 -7.205 1.00 0.00 H new ATOM 0 HA CYS A 32 1.499 10.976 -7.018 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.411 9.096 -5.631 1.00 0.00 H new ATOM 0 HB3 CYS A 32 2.008 9.676 -4.754 1.00 0.00 H new ATOM 477 N ASP A 33 1.560 12.644 -5.356 1.00 0.00 N ATOM 478 CA ASP A 33 1.525 13.802 -4.439 1.00 0.00 C ATOM 479 C ASP A 33 0.998 13.413 -3.060 1.00 0.00 C ATOM 480 O ASP A 33 0.825 14.253 -2.180 1.00 0.00 O ATOM 481 CB ASP A 33 0.656 14.901 -5.074 1.00 0.00 C ATOM 482 CG ASP A 33 0.872 16.259 -4.384 1.00 0.00 C ATOM 483 OD1 ASP A 33 -0.019 16.648 -3.594 1.00 0.00 O ATOM 484 OD2 ASP A 33 1.896 16.889 -4.708 1.00 0.00 O ATOM 0 H ASP A 33 0.657 12.411 -5.770 1.00 0.00 H new ATOM 0 HA ASP A 33 2.539 14.173 -4.290 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.895 14.988 -6.134 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.395 14.620 -5.006 1.00 0.00 H new ATOM 490 N ILE A 34 0.674 12.124 -2.901 1.00 0.00 N ATOM 491 CA ILE A 34 0.086 11.581 -1.668 1.00 0.00 C ATOM 492 C ILE A 34 0.813 10.300 -1.289 1.00 0.00 C ATOM 493 O ILE A 34 1.369 9.620 -2.147 1.00 0.00 O ATOM 494 CB ILE A 34 -1.428 11.329 -1.838 1.00 0.00 C ATOM 495 CG1 ILE A 34 -1.738 10.233 -2.870 1.00 0.00 C ATOM 496 CG2 ILE A 34 -2.063 12.659 -2.210 1.00 0.00 C ATOM 497 CD1 ILE A 34 -3.222 9.886 -3.032 1.00 0.00 C ATOM 0 H ILE A 34 0.813 11.423 -3.629 1.00 0.00 H new ATOM 0 HA ILE A 34 0.203 12.310 -0.866 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.846 10.952 -0.904 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.348 10.548 -3.838 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.199 9.329 -2.588 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.137 12.526 -2.340 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.881 13.384 -1.416 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.627 13.023 -3.141 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.333 9.103 -3.782 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.620 9.535 -2.080 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.771 10.773 -3.349 1.00 0.00 H new ATOM 509 N ASN A 35 0.729 9.982 -0.014 1.00 0.00 N ATOM 510 CA ASN A 35 1.291 8.723 0.479 1.00 0.00 C ATOM 511 C ASN A 35 0.302 7.590 0.234 1.00 0.00 C ATOM 512 O ASN A 35 -0.880 7.721 0.529 1.00 0.00 O ATOM 513 CB ASN A 35 1.630 8.836 1.962 1.00 0.00 C ATOM 514 CG ASN A 35 2.930 9.610 2.201 1.00 0.00 C ATOM 515 OD1 ASN A 35 3.473 10.331 1.375 1.00 0.00 O ATOM 516 ND2 ASN A 35 3.448 9.463 3.396 1.00 0.00 N ATOM 0 H ASN A 35 0.285 10.562 0.698 1.00 0.00 H new ATOM 0 HA ASN A 35 2.213 8.507 -0.061 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.812 9.333 2.483 1.00 0.00 H new ATOM 0 HB3 ASN A 35 1.720 7.837 2.390 1.00 0.00 H new ATOM 0 HD21 ASN A 35 4.309 9.951 3.642 1.00 0.00 H new ATOM 0 HD22 ASN A 35 2.990 8.860 4.080 1.00 0.00 H new ATOM 523 N ALA A 36 0.791 6.595 -0.498 1.00 0.00 N ATOM 524 CA ALA A 36 0.037 5.348 -0.714 1.00 0.00 C ATOM 525 C ALA A 36 0.971 4.139 -0.613 1.00 0.00 C ATOM 526 O ALA A 36 2.121 4.250 -0.182 1.00 0.00 O ATOM 527 CB ALA A 36 -0.764 5.366 -2.019 1.00 0.00 C ATOM 0 H ALA A 36 1.703 6.619 -0.954 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.706 5.263 0.079 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.301 4.424 -2.129 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.477 6.190 -1.997 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.085 5.497 -2.861 1.00 0.00 H new ATOM 533 N ILE A 37 0.376 2.965 -0.789 1.00 0.00 N ATOM 534 CA ILE A 37 1.073 1.693 -0.622 1.00 0.00 C ATOM 535 C ILE A 37 0.794 0.878 -1.886 1.00 0.00 C ATOM 536 O ILE A 37 -0.342 0.476 -2.126 1.00 0.00 O ATOM 537 CB ILE A 37 0.557 0.927 0.603 1.00 0.00 C ATOM 538 CG1 ILE A 37 0.332 1.792 1.852 1.00 0.00 C ATOM 539 CG2 ILE A 37 1.481 -0.270 0.870 1.00 0.00 C ATOM 540 CD1 ILE A 37 1.515 2.614 2.375 1.00 0.00 C ATOM 0 H ILE A 37 -0.605 2.867 -1.052 1.00 0.00 H new ATOM 0 HA ILE A 37 2.139 1.865 -0.470 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.444 0.569 0.364 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.486 2.480 1.640 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.003 1.137 2.657 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.121 -0.820 1.739 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.485 -0.927 0.001 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.493 0.087 1.060 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.207 3.173 3.259 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.336 1.946 2.636 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.845 3.309 1.603 1.00 0.00 H new ATOM 552 N ILE A 38 1.845 0.850 -2.690 1.00 0.00 N ATOM 553 CA ILE A 38 1.885 0.141 -3.971 1.00 0.00 C ATOM 554 C ILE A 38 1.906 -1.384 -3.728 1.00 0.00 C ATOM 555 O ILE A 38 2.952 -1.927 -3.437 1.00 0.00 O ATOM 556 CB ILE A 38 3.069 0.713 -4.761 1.00 0.00 C ATOM 557 CG1 ILE A 38 2.595 1.939 -5.523 1.00 0.00 C ATOM 558 CG2 ILE A 38 3.696 -0.224 -5.794 1.00 0.00 C ATOM 559 CD1 ILE A 38 3.506 3.136 -5.248 1.00 0.00 C ATOM 0 H ILE A 38 2.718 1.330 -2.470 1.00 0.00 H new ATOM 0 HA ILE A 38 0.993 0.294 -4.579 1.00 0.00 H new ATOM 0 HB ILE A 38 3.833 0.916 -4.010 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.581 1.725 -6.592 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.573 2.180 -5.233 1.00 0.00 H new ATOM 0 HG21 ILE A 38 4.522 0.284 -6.292 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.068 -1.119 -5.295 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.946 -0.506 -6.533 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.147 4.002 -5.804 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.499 3.361 -4.182 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.523 2.899 -5.562 1.00 0.00 H new ATOM 571 N PHE A 39 0.742 -2.002 -3.791 1.00 0.00 N ATOM 572 CA PHE A 39 0.557 -3.462 -3.622 1.00 0.00 C ATOM 573 C PHE A 39 0.579 -4.192 -4.955 1.00 0.00 C ATOM 574 O PHE A 39 0.150 -3.650 -5.968 1.00 0.00 O ATOM 575 CB PHE A 39 -0.757 -3.757 -2.899 1.00 0.00 C ATOM 576 CG PHE A 39 -0.707 -3.320 -1.437 1.00 0.00 C ATOM 577 CD1 PHE A 39 0.038 -4.132 -0.569 1.00 0.00 C ATOM 578 CD2 PHE A 39 -1.469 -2.253 -0.944 1.00 0.00 C ATOM 579 CE1 PHE A 39 -0.007 -3.910 0.816 1.00 0.00 C ATOM 580 CE2 PHE A 39 -1.518 -2.029 0.450 1.00 0.00 C ATOM 581 CZ PHE A 39 -0.791 -2.869 1.325 1.00 0.00 C ATOM 0 H PHE A 39 -0.132 -1.506 -3.965 1.00 0.00 H new ATOM 0 HA PHE A 39 1.392 -3.824 -3.022 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.574 -3.243 -3.405 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.970 -4.825 -2.953 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.647 -4.930 -0.967 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.012 -1.610 -1.621 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.561 -4.539 1.485 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.110 -1.217 0.847 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.841 -2.706 2.391 1.00 0.00 H new ATOM 591 N HIS A 40 1.101 -5.400 -4.938 1.00 0.00 N ATOM 592 CA HIS A 40 1.237 -6.259 -6.131 1.00 0.00 C ATOM 593 C HIS A 40 0.834 -7.670 -5.722 1.00 0.00 C ATOM 594 O HIS A 40 1.627 -8.522 -5.304 1.00 0.00 O ATOM 595 CB HIS A 40 2.683 -6.322 -6.639 1.00 0.00 C ATOM 596 CG HIS A 40 3.362 -4.962 -6.663 1.00 0.00 C ATOM 597 ND1 HIS A 40 3.077 -3.993 -7.525 1.00 0.00 N ATOM 598 CD2 HIS A 40 4.372 -4.563 -5.905 1.00 0.00 C ATOM 599 CE1 HIS A 40 3.946 -3.018 -7.319 1.00 0.00 C ATOM 600 NE2 HIS A 40 4.721 -3.345 -6.291 1.00 0.00 N ATOM 0 H HIS A 40 1.454 -5.835 -4.086 1.00 0.00 H new ATOM 0 HA HIS A 40 0.613 -5.848 -6.925 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.257 -6.998 -6.004 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.692 -6.744 -7.644 1.00 0.00 H new ATOM 0 HD2 HIS A 40 4.831 -5.132 -5.110 1.00 0.00 H new ATOM 0 HE1 HIS A 40 4.014 -2.105 -7.893 1.00 0.00 H new ATOM 0 HE2 HIS A 40 5.450 -2.765 -5.876 1.00 0.00 H new ATOM 609 N THR A 41 -0.462 -7.765 -5.535 1.00 0.00 N ATOM 610 CA THR A 41 -1.112 -9.030 -5.154 1.00 0.00 C ATOM 611 C THR A 41 -0.893 -10.085 -6.240 1.00 0.00 C ATOM 612 O THR A 41 -0.273 -9.836 -7.273 1.00 0.00 O ATOM 613 CB THR A 41 -2.597 -8.733 -4.966 1.00 0.00 C ATOM 614 OG1 THR A 41 -3.090 -8.341 -6.220 1.00 0.00 O ATOM 615 CG2 THR A 41 -2.817 -7.641 -3.933 1.00 0.00 C ATOM 0 H THR A 41 -1.106 -6.981 -5.638 1.00 0.00 H new ATOM 0 HA THR A 41 -0.688 -9.427 -4.232 1.00 0.00 H new ATOM 0 HB THR A 41 -3.120 -9.615 -4.596 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.343 -8.079 -6.798 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.885 -7.454 -3.823 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.404 -7.957 -2.975 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.320 -6.727 -4.258 1.00 0.00 H new ATOM 623 N LYS A 42 -1.406 -11.280 -5.990 1.00 0.00 N ATOM 624 CA LYS A 42 -1.260 -12.376 -6.971 1.00 0.00 C ATOM 625 C LYS A 42 -2.390 -12.424 -8.008 1.00 0.00 C ATOM 626 O LYS A 42 -2.339 -13.191 -8.964 1.00 0.00 O ATOM 627 CB LYS A 42 -1.079 -13.716 -6.258 1.00 0.00 C ATOM 628 CG LYS A 42 -2.334 -14.192 -5.532 1.00 0.00 C ATOM 629 CD LYS A 42 -2.230 -15.696 -5.271 1.00 0.00 C ATOM 630 CE LYS A 42 -3.601 -16.252 -4.905 1.00 0.00 C ATOM 631 NZ LYS A 42 -3.848 -17.426 -5.753 1.00 0.00 N ATOM 0 H LYS A 42 -1.917 -11.525 -5.142 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.357 -12.166 -7.544 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.783 -14.470 -6.987 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.264 -13.629 -5.540 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.448 -13.655 -4.590 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.218 -13.976 -6.131 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.847 -16.203 -6.157 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.523 -15.886 -4.464 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.633 -16.528 -3.851 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.373 -15.499 -5.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.779 -17.829 -5.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.828 -17.142 -6.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.111 -18.140 -5.581 1.00 0.00 H new ATOM 645 N LYS A 43 -3.432 -11.628 -7.761 1.00 0.00 N ATOM 646 CA LYS A 43 -4.619 -11.553 -8.629 1.00 0.00 C ATOM 647 C LYS A 43 -5.183 -10.122 -8.715 1.00 0.00 C ATOM 648 O LYS A 43 -6.398 -9.876 -8.695 1.00 0.00 O ATOM 649 CB LYS A 43 -5.641 -12.564 -8.110 1.00 0.00 C ATOM 650 CG LYS A 43 -6.591 -12.998 -9.231 1.00 0.00 C ATOM 651 CD LYS A 43 -7.707 -13.871 -8.680 1.00 0.00 C ATOM 652 CE LYS A 43 -8.841 -13.977 -9.698 1.00 0.00 C ATOM 653 NZ LYS A 43 -10.101 -14.003 -8.940 1.00 0.00 N ATOM 0 H LYS A 43 -3.481 -11.012 -6.950 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.351 -11.807 -9.654 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.125 -13.435 -7.706 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.212 -12.124 -7.292 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.016 -12.119 -9.716 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.036 -13.546 -9.993 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.322 -14.864 -8.448 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.083 -13.449 -7.748 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.822 -13.131 -10.385 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.735 -14.879 -10.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.902 -14.075 -9.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.105 -14.823 -8.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.189 -13.129 -8.383 1.00 0.00 H new ATOM 667 N ARG A 44 -4.269 -9.164 -8.781 1.00 0.00 N ATOM 668 CA ARG A 44 -4.572 -7.725 -8.945 1.00 0.00 C ATOM 669 C ARG A 44 -3.256 -6.991 -9.218 1.00 0.00 C ATOM 670 O ARG A 44 -2.225 -7.224 -8.594 1.00 0.00 O ATOM 671 CB ARG A 44 -5.184 -7.107 -7.684 1.00 0.00 C ATOM 672 CG ARG A 44 -6.586 -6.556 -7.869 1.00 0.00 C ATOM 673 CD ARG A 44 -7.047 -5.965 -6.534 1.00 0.00 C ATOM 674 NE ARG A 44 -8.410 -5.447 -6.693 1.00 0.00 N ATOM 675 CZ ARG A 44 -8.756 -4.334 -7.358 1.00 0.00 C ATOM 676 NH1 ARG A 44 -7.856 -3.519 -7.879 1.00 0.00 N ATOM 677 NH2 ARG A 44 -10.033 -4.039 -7.483 1.00 0.00 N ATOM 0 H ARG A 44 -3.269 -9.357 -8.722 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.289 -7.628 -9.760 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.205 -7.862 -6.898 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.535 -6.303 -7.337 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.595 -5.792 -8.646 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.265 -7.345 -8.190 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.021 -6.727 -5.755 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -6.374 -5.167 -6.222 1.00 0.00 H new ATOM 0 HE ARG A 44 -9.163 -5.981 -6.259 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.862 -3.728 -7.782 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -8.155 -2.681 -8.378 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -10.740 -4.652 -7.078 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -10.315 -3.197 -7.985 1.00 0.00 H new ATOM 691 N LYS A 45 -3.330 -6.146 -10.234 1.00 0.00 N ATOM 692 CA LYS A 45 -2.199 -5.281 -10.605 1.00 0.00 C ATOM 693 C LYS A 45 -1.803 -4.359 -9.432 1.00 0.00 C ATOM 694 O LYS A 45 -2.391 -4.397 -8.356 1.00 0.00 O ATOM 695 CB LYS A 45 -2.516 -4.501 -11.879 1.00 0.00 C ATOM 696 CG LYS A 45 -3.648 -3.478 -11.740 1.00 0.00 C ATOM 697 CD LYS A 45 -3.248 -2.192 -12.475 1.00 0.00 C ATOM 698 CE LYS A 45 -4.479 -1.513 -13.070 1.00 0.00 C ATOM 699 NZ LYS A 45 -4.082 -0.250 -13.700 1.00 0.00 N ATOM 0 H LYS A 45 -4.156 -6.034 -10.822 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.333 -5.907 -10.819 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.614 -3.982 -12.205 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.779 -5.208 -12.666 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.572 -3.879 -12.157 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.839 -3.267 -10.688 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.748 -1.512 -11.785 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.535 -2.425 -13.266 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.949 -2.167 -13.805 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.218 -1.327 -12.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.920 0.214 -14.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.652 0.374 -12.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.392 -0.440 -14.455 1.00 0.00 H new ATOM 713 N SER A 46 -0.821 -3.496 -9.699 1.00 0.00 N ATOM 714 CA SER A 46 -0.395 -2.463 -8.744 1.00 0.00 C ATOM 715 C SER A 46 -1.579 -1.702 -8.145 1.00 0.00 C ATOM 716 O SER A 46 -2.496 -1.257 -8.832 1.00 0.00 O ATOM 717 CB SER A 46 0.600 -1.488 -9.388 1.00 0.00 C ATOM 718 OG SER A 46 0.468 -1.495 -10.810 1.00 0.00 O ATOM 0 H SER A 46 -0.300 -3.490 -10.576 1.00 0.00 H new ATOM 0 HA SER A 46 0.106 -2.982 -7.927 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.428 -0.481 -9.007 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.618 -1.764 -9.111 1.00 0.00 H new ATOM 0 HG SER A 46 1.110 -0.866 -11.201 1.00 0.00 H new ATOM 724 N VAL A 47 -1.606 -1.761 -6.822 1.00 0.00 N ATOM 725 CA VAL A 47 -2.675 -1.173 -6.008 1.00 0.00 C ATOM 726 C VAL A 47 -2.064 -0.024 -5.200 1.00 0.00 C ATOM 727 O VAL A 47 -1.117 -0.236 -4.463 1.00 0.00 O ATOM 728 CB VAL A 47 -3.314 -2.293 -5.162 1.00 0.00 C ATOM 729 CG1 VAL A 47 -3.693 -1.930 -3.726 1.00 0.00 C ATOM 730 CG2 VAL A 47 -4.488 -2.903 -5.931 1.00 0.00 C ATOM 0 H VAL A 47 -0.882 -2.222 -6.272 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.485 -0.745 -6.599 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.527 -3.033 -5.016 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.132 -2.798 -3.235 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.801 -1.618 -3.182 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.416 -1.115 -3.736 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.941 -3.695 -5.335 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.231 -2.131 -6.134 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.130 -3.318 -6.873 1.00 0.00 H new ATOM 740 N CYS A 48 -2.678 1.140 -5.306 1.00 0.00 N ATOM 741 CA CYS A 48 -2.211 2.315 -4.546 1.00 0.00 C ATOM 742 C CYS A 48 -3.175 2.679 -3.424 1.00 0.00 C ATOM 743 O CYS A 48 -4.225 3.279 -3.634 1.00 0.00 O ATOM 744 CB CYS A 48 -2.030 3.485 -5.486 1.00 0.00 C ATOM 745 SG CYS A 48 -0.277 3.763 -5.867 1.00 0.00 S ATOM 0 H CYS A 48 -3.491 1.310 -5.898 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.255 2.066 -4.085 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.580 3.301 -6.409 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.453 4.383 -5.037 1.00 0.00 H new ATOM 750 N ALA A 49 -2.775 2.306 -2.225 1.00 0.00 N ATOM 751 CA ALA A 49 -3.641 2.507 -1.059 1.00 0.00 C ATOM 752 C ALA A 49 -3.112 3.491 -0.031 1.00 0.00 C ATOM 753 O ALA A 49 -2.016 3.299 0.463 1.00 0.00 O ATOM 754 CB ALA A 49 -3.825 1.140 -0.459 1.00 0.00 C ATOM 0 H ALA A 49 -1.875 1.869 -2.024 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.577 2.963 -1.381 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.464 1.212 0.421 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.289 0.480 -1.192 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -2.855 0.736 -0.170 1.00 0.00 H new ATOM 760 N ASP A 50 -3.954 4.424 0.418 1.00 0.00 N ATOM 761 CA ASP A 50 -3.490 5.414 1.399 1.00 0.00 C ATOM 762 C ASP A 50 -3.184 4.743 2.754 1.00 0.00 C ATOM 763 O ASP A 50 -3.911 3.821 3.132 1.00 0.00 O ATOM 764 CB ASP A 50 -4.511 6.535 1.561 1.00 0.00 C ATOM 765 CG ASP A 50 -3.937 7.891 1.149 1.00 0.00 C ATOM 766 OD1 ASP A 50 -3.489 8.003 -0.013 1.00 0.00 O ATOM 767 OD2 ASP A 50 -4.043 8.809 1.984 1.00 0.00 O ATOM 0 H ASP A 50 -4.929 4.517 0.132 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.565 5.853 1.027 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.391 6.315 0.957 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.840 6.580 2.599 1.00 0.00 H new ATOM 773 N PRO A 51 -2.087 5.132 3.434 1.00 0.00 N ATOM 774 CA PRO A 51 -1.730 4.624 4.769 1.00 0.00 C ATOM 775 C PRO A 51 -2.582 5.235 5.880 1.00 0.00 C ATOM 776 O PRO A 51 -2.087 5.735 6.883 1.00 0.00 O ATOM 777 CB PRO A 51 -0.221 4.854 4.905 1.00 0.00 C ATOM 778 CG PRO A 51 0.052 6.054 4.010 1.00 0.00 C ATOM 779 CD PRO A 51 -1.003 5.972 2.916 1.00 0.00 C ATOM 0 HA PRO A 51 -1.949 3.562 4.877 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.060 5.055 5.939 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.346 3.980 4.585 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -0.027 6.988 4.566 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.058 6.015 3.593 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -1.372 6.965 2.660 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.583 5.544 2.006 1.00 0.00 H new ATOM 787 N LYS A 52 -3.888 5.161 5.657 1.00 0.00 N ATOM 788 CA LYS A 52 -4.898 5.720 6.587 1.00 0.00 C ATOM 789 C LYS A 52 -5.845 4.628 7.103 1.00 0.00 C ATOM 790 O LYS A 52 -6.755 4.878 7.903 1.00 0.00 O ATOM 791 CB LYS A 52 -5.695 6.825 5.887 1.00 0.00 C ATOM 792 CG LYS A 52 -4.858 7.853 5.104 1.00 0.00 C ATOM 793 CD LYS A 52 -3.772 8.558 5.925 1.00 0.00 C ATOM 794 CE LYS A 52 -4.025 10.052 6.056 1.00 0.00 C ATOM 795 NZ LYS A 52 -4.906 10.325 7.200 1.00 0.00 N ATOM 0 H LYS A 52 -4.290 4.716 4.832 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.375 6.141 7.445 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.402 6.359 5.200 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.282 7.356 6.637 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.386 7.349 4.260 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.528 8.607 4.691 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.724 8.112 6.918 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.802 8.396 5.455 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.079 10.577 6.184 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.479 10.432 5.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.069 11.349 7.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.815 9.839 7.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.458 9.980 8.073 1.00 0.00 H new ATOM 809 N GLN A 53 -5.613 3.406 6.646 1.00 0.00 N ATOM 810 CA GLN A 53 -6.419 2.230 6.997 1.00 0.00 C ATOM 811 C GLN A 53 -5.550 1.265 7.818 1.00 0.00 C ATOM 812 O GLN A 53 -4.326 1.330 7.755 1.00 0.00 O ATOM 813 CB GLN A 53 -6.911 1.537 5.726 1.00 0.00 C ATOM 814 CG GLN A 53 -7.761 2.419 4.790 1.00 0.00 C ATOM 815 CD GLN A 53 -6.885 3.181 3.783 1.00 0.00 C ATOM 816 OE1 GLN A 53 -6.403 4.273 4.003 1.00 0.00 O ATOM 817 NE2 GLN A 53 -6.683 2.629 2.612 1.00 0.00 N ATOM 0 H GLN A 53 -4.846 3.193 6.008 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.286 2.537 7.583 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.046 1.173 5.171 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.498 0.664 6.010 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.477 1.797 4.253 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.338 3.129 5.382 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.079 1.712 2.405 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.130 3.116 1.907 1.00 0.00 H new ATOM 826 N ASN A 54 -6.210 0.267 8.370 1.00 0.00 N ATOM 827 CA ASN A 54 -5.567 -0.776 9.195 1.00 0.00 C ATOM 828 C ASN A 54 -4.927 -1.855 8.317 1.00 0.00 C ATOM 829 O ASN A 54 -3.756 -2.152 8.489 1.00 0.00 O ATOM 830 CB ASN A 54 -6.588 -1.388 10.159 1.00 0.00 C ATOM 831 CG ASN A 54 -7.756 -2.047 9.412 1.00 0.00 C ATOM 832 OD1 ASN A 54 -8.459 -1.417 8.641 1.00 0.00 O ATOM 833 ND2 ASN A 54 -7.771 -3.354 9.386 1.00 0.00 N ATOM 0 H ASN A 54 -7.217 0.142 8.267 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.772 -0.313 9.779 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.095 -2.129 10.788 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.972 -0.612 10.822 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -8.370 -3.844 8.722 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -7.184 -3.884 10.030 1.00 0.00 H new ATOM 840 N TRP A 55 -5.653 -2.363 7.316 1.00 0.00 N ATOM 841 CA TRP A 55 -5.163 -3.404 6.385 1.00 0.00 C ATOM 842 C TRP A 55 -3.846 -2.985 5.702 1.00 0.00 C ATOM 843 O TRP A 55 -2.834 -3.681 5.779 1.00 0.00 O ATOM 844 CB TRP A 55 -6.238 -3.744 5.343 1.00 0.00 C ATOM 845 CG TRP A 55 -6.454 -2.624 4.323 1.00 0.00 C ATOM 846 CD1 TRP A 55 -7.269 -1.585 4.471 1.00 0.00 C ATOM 847 CD2 TRP A 55 -5.779 -2.457 3.114 1.00 0.00 C ATOM 848 NE1 TRP A 55 -7.127 -0.750 3.436 1.00 0.00 N ATOM 849 CE2 TRP A 55 -6.266 -1.253 2.556 1.00 0.00 C ATOM 850 CE3 TRP A 55 -4.943 -3.291 2.362 1.00 0.00 C ATOM 851 CZ2 TRP A 55 -5.975 -0.929 1.219 1.00 0.00 C ATOM 852 CZ3 TRP A 55 -4.682 -2.993 1.014 1.00 0.00 C ATOM 853 CH2 TRP A 55 -5.208 -1.816 0.438 1.00 0.00 C ATOM 0 H TRP A 55 -6.609 -2.065 7.121 1.00 0.00 H new ATOM 0 HA TRP A 55 -4.953 -4.299 6.970 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -5.953 -4.656 4.819 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -7.179 -3.950 5.853 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -7.944 -1.437 5.301 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -7.609 0.143 3.336 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -4.499 -4.163 2.818 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -6.338 -0.005 0.793 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -4.080 -3.663 0.419 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -5.022 -1.595 -0.603 1.00 0.00 H new ATOM 864 N VAL A 56 -3.848 -1.756 5.205 1.00 0.00 N ATOM 865 CA VAL A 56 -2.678 -1.107 4.601 1.00 0.00 C ATOM 866 C VAL A 56 -1.563 -0.998 5.632 1.00 0.00 C ATOM 867 O VAL A 56 -0.486 -1.531 5.434 1.00 0.00 O ATOM 868 CB VAL A 56 -3.097 0.245 4.010 1.00 0.00 C ATOM 869 CG1 VAL A 56 -2.130 1.397 4.196 1.00 0.00 C ATOM 870 CG2 VAL A 56 -3.106 0.064 2.521 1.00 0.00 C ATOM 0 H VAL A 56 -4.678 -1.164 5.207 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.283 -1.704 3.779 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.032 0.495 4.511 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.541 2.295 3.734 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.976 1.574 5.260 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.177 1.151 3.727 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.399 0.999 2.043 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.109 -0.220 2.183 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.817 -0.718 2.254 1.00 0.00 H new ATOM 880 N LYS A 57 -1.895 -0.273 6.696 1.00 0.00 N ATOM 881 CA LYS A 57 -0.976 -0.058 7.811 1.00 0.00 C ATOM 882 C LYS A 57 -0.388 -1.346 8.358 1.00 0.00 C ATOM 883 O LYS A 57 0.783 -1.347 8.690 1.00 0.00 O ATOM 884 CB LYS A 57 -1.645 0.749 8.921 1.00 0.00 C ATOM 885 CG LYS A 57 -1.334 2.243 8.758 1.00 0.00 C ATOM 886 CD LYS A 57 -0.264 2.790 9.722 1.00 0.00 C ATOM 887 CE LYS A 57 0.951 1.869 9.907 1.00 0.00 C ATOM 888 NZ LYS A 57 2.160 2.622 10.227 1.00 0.00 N ATOM 0 H LYS A 57 -2.802 0.180 6.810 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.140 0.517 7.412 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.723 0.591 8.895 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.295 0.402 9.893 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.006 2.422 7.734 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.255 2.809 8.901 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.080 3.756 9.353 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.724 2.965 10.695 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.747 1.154 10.704 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.112 1.293 8.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.957 1.965 10.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.370 3.287 9.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.015 3.152 11.110 1.00 0.00 H new ATOM 902 N ARG A 58 -1.131 -2.435 8.237 1.00 0.00 N ATOM 903 CA ARG A 58 -0.723 -3.803 8.595 1.00 0.00 C ATOM 904 C ARG A 58 0.330 -4.350 7.629 1.00 0.00 C ATOM 905 O ARG A 58 1.387 -4.805 8.040 1.00 0.00 O ATOM 906 CB ARG A 58 -1.921 -4.749 8.553 1.00 0.00 C ATOM 907 CG ARG A 58 -1.702 -5.947 9.472 1.00 0.00 C ATOM 908 CD ARG A 58 -2.118 -5.501 10.864 1.00 0.00 C ATOM 909 NE ARG A 58 -1.313 -6.199 11.873 1.00 0.00 N ATOM 910 CZ ARG A 58 -1.676 -6.386 13.138 1.00 0.00 C ATOM 911 NH1 ARG A 58 -2.866 -6.030 13.590 1.00 0.00 N ATOM 912 NH2 ARG A 58 -0.835 -6.971 13.978 1.00 0.00 N ATOM 0 H ARG A 58 -2.082 -2.397 7.870 1.00 0.00 H new ATOM 0 HA ARG A 58 -0.306 -3.750 9.601 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.822 -4.215 8.854 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.081 -5.094 7.532 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.295 -6.801 9.145 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.658 -6.260 9.460 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.988 -4.423 10.964 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.176 -5.710 11.022 1.00 0.00 H new ATOM 0 HE ARG A 58 -0.408 -6.568 11.582 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.541 -5.596 12.961 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.109 -6.190 14.568 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.083 -7.274 13.652 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -1.105 -7.118 14.950 1.00 0.00 H new ATOM 926 N ALA A 59 0.030 -4.292 6.337 1.00 0.00 N ATOM 927 CA ALA A 59 0.998 -4.720 5.319 1.00 0.00 C ATOM 928 C ALA A 59 2.270 -3.854 5.379 1.00 0.00 C ATOM 929 O ALA A 59 3.362 -4.391 5.567 1.00 0.00 O ATOM 930 CB ALA A 59 0.301 -4.680 3.975 1.00 0.00 C ATOM 0 H ALA A 59 -0.860 -3.959 5.967 1.00 0.00 H new ATOM 0 HA ALA A 59 1.338 -5.740 5.499 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.995 -4.993 3.196 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.556 -5.353 3.989 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.039 -3.664 3.771 1.00 0.00 H new ATOM 936 N VAL A 60 2.068 -2.555 5.567 1.00 0.00 N ATOM 937 CA VAL A 60 3.176 -1.602 5.812 1.00 0.00 C ATOM 938 C VAL A 60 3.840 -1.817 7.165 1.00 0.00 C ATOM 939 O VAL A 60 5.001 -1.488 7.304 1.00 0.00 O ATOM 940 CB VAL A 60 2.730 -0.147 5.579 1.00 0.00 C ATOM 941 CG1 VAL A 60 3.692 0.956 6.056 1.00 0.00 C ATOM 942 CG2 VAL A 60 2.599 -0.007 4.080 1.00 0.00 C ATOM 0 H VAL A 60 1.144 -2.122 5.557 1.00 0.00 H new ATOM 0 HA VAL A 60 3.951 -1.809 5.074 1.00 0.00 H new ATOM 0 HB VAL A 60 1.821 0.002 6.162 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.263 1.933 5.835 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.848 0.863 7.131 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.647 0.854 5.541 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.283 1.007 3.836 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.561 -0.211 3.610 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.858 -0.716 3.712 1.00 0.00 H new ATOM 952 N ASN A 61 3.151 -2.419 8.111 1.00 0.00 N ATOM 953 CA ASN A 61 3.665 -2.663 9.479 1.00 0.00 C ATOM 954 C ASN A 61 4.826 -3.653 9.441 1.00 0.00 C ATOM 955 O ASN A 61 5.956 -3.294 9.765 1.00 0.00 O ATOM 956 CB ASN A 61 2.530 -3.227 10.328 1.00 0.00 C ATOM 957 CG ASN A 61 2.849 -3.183 11.812 1.00 0.00 C ATOM 958 OD1 ASN A 61 3.654 -3.937 12.336 1.00 0.00 O ATOM 959 ND2 ASN A 61 2.211 -2.252 12.472 1.00 0.00 N ATOM 0 H ASN A 61 2.202 -2.765 7.968 1.00 0.00 H new ATOM 0 HA ASN A 61 4.027 -1.728 9.908 1.00 0.00 H new ATOM 0 HB2 ASN A 61 1.619 -2.660 10.137 1.00 0.00 H new ATOM 0 HB3 ASN A 61 2.333 -4.257 10.031 1.00 0.00 H new ATOM 0 HD21 ASN A 61 2.377 -2.131 13.471 1.00 0.00 H new ATOM 0 HD22 ASN A 61 1.548 -1.647 11.988 1.00 0.00 H new ATOM 966 N LEU A 62 4.551 -4.820 8.873 1.00 0.00 N ATOM 967 CA LEU A 62 5.581 -5.854 8.668 1.00 0.00 C ATOM 968 C LEU A 62 6.698 -5.355 7.739 1.00 0.00 C ATOM 969 O LEU A 62 7.873 -5.403 8.115 1.00 0.00 O ATOM 970 CB LEU A 62 4.989 -7.166 8.148 1.00 0.00 C ATOM 971 CG LEU A 62 4.356 -7.962 9.291 1.00 0.00 C ATOM 972 CD1 LEU A 62 2.868 -7.626 9.448 1.00 0.00 C ATOM 973 CD2 LEU A 62 4.520 -9.455 9.011 1.00 0.00 C ATOM 0 H LEU A 62 3.623 -5.083 8.542 1.00 0.00 H new ATOM 0 HA LEU A 62 6.016 -6.059 9.646 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.239 -6.956 7.385 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.769 -7.760 7.673 1.00 0.00 H new ATOM 0 HG LEU A 62 4.860 -7.695 10.220 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.448 -8.208 10.268 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.756 -6.563 9.663 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.341 -7.867 8.525 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.071 -10.029 9.822 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.026 -9.706 8.072 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.580 -9.697 8.939 1.00 0.00 H new ATOM 985 N LEU A 63 6.293 -4.657 6.670 1.00 0.00 N ATOM 986 CA LEU A 63 7.237 -3.957 5.778 1.00 0.00 C ATOM 987 C LEU A 63 8.091 -2.930 6.517 1.00 0.00 C ATOM 988 O LEU A 63 9.233 -2.726 6.149 1.00 0.00 O ATOM 989 CB LEU A 63 6.486 -3.310 4.599 1.00 0.00 C ATOM 990 CG LEU A 63 7.137 -2.098 3.895 1.00 0.00 C ATOM 991 CD1 LEU A 63 6.780 -2.016 2.419 1.00 0.00 C ATOM 992 CD2 LEU A 63 6.697 -0.808 4.596 1.00 0.00 C ATOM 0 H LEU A 63 5.315 -4.560 6.398 1.00 0.00 H new ATOM 0 HA LEU A 63 7.925 -4.706 5.386 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.319 -4.081 3.847 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.506 -2.999 4.959 1.00 0.00 H new ATOM 0 HG LEU A 63 8.217 -2.226 3.961 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.264 -1.146 1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.120 -2.919 1.912 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.699 -1.924 2.311 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.155 0.049 4.102 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.612 -0.719 4.546 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.011 -0.835 5.639 1.00 0.00 H new ATOM 1004 N SER A 64 7.491 -2.217 7.461 1.00 0.00 N ATOM 1005 CA SER A 64 8.141 -1.128 8.229 1.00 0.00 C ATOM 1006 C SER A 64 9.356 -1.693 8.957 1.00 0.00 C ATOM 1007 O SER A 64 10.443 -1.429 8.472 1.00 0.00 O ATOM 1008 CB SER A 64 7.160 -0.479 9.207 1.00 0.00 C ATOM 1009 OG SER A 64 7.764 0.637 9.855 1.00 0.00 O ATOM 0 H SER A 64 6.519 -2.371 7.730 1.00 0.00 H new ATOM 0 HA SER A 64 8.466 -0.347 7.542 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.266 -0.157 8.674 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.842 -1.210 9.950 1.00 0.00 H new ATOM 0 HG SER A 64 7.122 1.041 10.476 1.00 0.00 H new ATOM 1015 N LEU A 65 9.136 -2.794 9.671 1.00 0.00 N ATOM 1016 CA LEU A 65 10.253 -3.532 10.316 1.00 0.00 C ATOM 1017 C LEU A 65 11.273 -4.100 9.301 1.00 0.00 C ATOM 1018 O LEU A 65 12.460 -4.216 9.603 1.00 0.00 O ATOM 1019 CB LEU A 65 9.694 -4.643 11.203 1.00 0.00 C ATOM 1020 CG LEU A 65 8.976 -4.044 12.421 1.00 0.00 C ATOM 1021 CD1 LEU A 65 7.916 -5.009 12.937 1.00 0.00 C ATOM 1022 CD2 LEU A 65 9.967 -3.647 13.525 1.00 0.00 C ATOM 0 H LEU A 65 8.214 -3.202 9.825 1.00 0.00 H new ATOM 0 HA LEU A 65 10.802 -2.815 10.927 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.001 -5.260 10.631 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.503 -5.295 11.534 1.00 0.00 H new ATOM 0 HG LEU A 65 8.477 -3.128 12.105 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.415 -4.571 13.801 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.185 -5.200 12.152 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.389 -5.947 13.229 1.00 0.00 H new ATOM 0 HD21 LEU A 65 9.421 -3.227 14.370 1.00 0.00 H new ATOM 0 HD22 LEU A 65 10.520 -4.528 13.852 1.00 0.00 H new ATOM 0 HD23 LEU A 65 10.664 -2.904 13.138 1.00 0.00 H new ATOM 1034 N ARG A 66 10.808 -4.357 8.082 1.00 0.00 N ATOM 1035 CA ARG A 66 11.658 -4.826 6.960 1.00 0.00 C ATOM 1036 C ARG A 66 12.483 -3.661 6.367 1.00 0.00 C ATOM 1037 O ARG A 66 13.708 -3.725 6.361 1.00 0.00 O ATOM 1038 CB ARG A 66 10.758 -5.524 5.929 1.00 0.00 C ATOM 1039 CG ARG A 66 11.507 -6.280 4.830 1.00 0.00 C ATOM 1040 CD ARG A 66 12.039 -5.355 3.728 1.00 0.00 C ATOM 1041 NE ARG A 66 11.511 -5.772 2.430 1.00 0.00 N ATOM 1042 CZ ARG A 66 11.992 -6.758 1.670 1.00 0.00 C ATOM 1043 NH1 ARG A 66 13.064 -7.452 2.031 1.00 0.00 N ATOM 1044 NH2 ARG A 66 11.402 -7.053 0.527 1.00 0.00 N ATOM 0 H ARG A 66 9.826 -4.249 7.829 1.00 0.00 H new ATOM 0 HA ARG A 66 12.393 -5.550 7.311 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.106 -6.224 6.452 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.116 -4.777 5.463 1.00 0.00 H new ATOM 0 HG2 ARG A 66 12.340 -6.825 5.274 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.841 -7.020 4.386 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.749 -4.325 3.934 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.129 -5.382 3.713 1.00 0.00 H new ATOM 0 HE ARG A 66 10.702 -5.263 2.073 1.00 0.00 H new ATOM 0 HH11 ARG A 66 13.540 -7.236 2.907 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.412 -8.201 1.432 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.581 -6.528 0.227 1.00 0.00 H new ATOM 0 HH22 ARG A 66 11.767 -7.806 -0.056 1.00 0.00 H new ATOM 1058 N VAL A 67 11.807 -2.629 5.871 1.00 0.00 N ATOM 1059 CA VAL A 67 12.425 -1.436 5.265 1.00 0.00 C ATOM 1060 C VAL A 67 12.781 -0.355 6.312 1.00 0.00 C ATOM 1061 O VAL A 67 12.877 0.836 6.024 1.00 0.00 O ATOM 1062 CB VAL A 67 11.520 -0.947 4.108 1.00 0.00 C ATOM 1063 CG1 VAL A 67 10.384 0.005 4.510 1.00 0.00 C ATOM 1064 CG2 VAL A 67 12.376 -0.322 3.008 1.00 0.00 C ATOM 0 H VAL A 67 10.788 -2.590 5.876 1.00 0.00 H new ATOM 0 HA VAL A 67 13.394 -1.693 4.838 1.00 0.00 H new ATOM 0 HB VAL A 67 11.012 -1.841 3.746 1.00 0.00 H new ATOM 0 HG11 VAL A 67 9.813 0.285 3.624 1.00 0.00 H new ATOM 0 HG12 VAL A 67 9.727 -0.493 5.223 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.804 0.900 4.969 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.733 0.020 2.197 1.00 0.00 H new ATOM 0 HG22 VAL A 67 12.929 0.525 3.414 1.00 0.00 H new ATOM 0 HG23 VAL A 67 13.077 -1.064 2.627 1.00 0.00 H new ATOM 1074 N LYS A 68 13.051 -0.828 7.539 1.00 0.00 N ATOM 1075 CA LYS A 68 13.371 0.022 8.693 1.00 0.00 C ATOM 1076 C LYS A 68 13.846 -0.860 9.850 1.00 0.00 C ATOM 1077 O LYS A 68 13.153 -1.196 10.812 1.00 0.00 O ATOM 1078 CB LYS A 68 12.144 0.865 9.074 1.00 0.00 C ATOM 1079 CG LYS A 68 12.514 2.239 9.613 1.00 0.00 C ATOM 1080 CD LYS A 68 12.682 2.218 11.129 1.00 0.00 C ATOM 1081 CE LYS A 68 13.096 3.600 11.588 1.00 0.00 C ATOM 1082 NZ LYS A 68 12.913 3.694 13.034 1.00 0.00 N ATOM 0 H LYS A 68 13.053 -1.824 7.758 1.00 0.00 H new ATOM 0 HA LYS A 68 14.176 0.714 8.444 1.00 0.00 H new ATOM 0 HB2 LYS A 68 11.505 0.984 8.199 1.00 0.00 H new ATOM 0 HB3 LYS A 68 11.561 0.331 9.824 1.00 0.00 H new ATOM 0 HG2 LYS A 68 13.440 2.576 9.148 1.00 0.00 H new ATOM 0 HG3 LYS A 68 11.741 2.958 9.341 1.00 0.00 H new ATOM 0 HD2 LYS A 68 11.749 1.924 11.609 1.00 0.00 H new ATOM 0 HD3 LYS A 68 13.434 1.483 11.416 1.00 0.00 H new ATOM 0 HE2 LYS A 68 14.138 3.787 11.327 1.00 0.00 H new ATOM 0 HE3 LYS A 68 12.499 4.359 11.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 13.195 4.641 13.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 11.913 3.531 13.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 13.500 2.977 13.506 1.00 0.00 H new ATOM 1096 N LYS A 69 15.080 -1.307 9.632 1.00 0.00 N ATOM 1097 CA LYS A 69 15.836 -2.069 10.635 1.00 0.00 C ATOM 1098 C LYS A 69 16.557 -1.118 11.601 1.00 0.00 C ATOM 1099 O LYS A 69 16.333 0.099 11.605 1.00 0.00 O ATOM 1100 CB LYS A 69 16.788 -3.039 9.920 1.00 0.00 C ATOM 1101 CG LYS A 69 16.103 -4.403 9.747 1.00 0.00 C ATOM 1102 CD LYS A 69 16.587 -5.406 10.801 1.00 0.00 C ATOM 1103 CE LYS A 69 15.648 -6.615 10.846 1.00 0.00 C ATOM 1104 NZ LYS A 69 16.415 -7.856 11.035 1.00 0.00 N ATOM 0 H LYS A 69 15.587 -1.155 8.760 1.00 0.00 H new ATOM 0 HA LYS A 69 15.159 -2.665 11.246 1.00 0.00 H new ATOM 0 HB2 LYS A 69 17.069 -2.637 8.947 1.00 0.00 H new ATOM 0 HB3 LYS A 69 17.707 -3.153 10.496 1.00 0.00 H new ATOM 0 HG2 LYS A 69 15.023 -4.282 9.825 1.00 0.00 H new ATOM 0 HG3 LYS A 69 16.309 -4.792 8.750 1.00 0.00 H new ATOM 0 HD2 LYS A 69 17.601 -5.731 10.567 1.00 0.00 H new ATOM 0 HD3 LYS A 69 16.624 -4.928 11.780 1.00 0.00 H new ATOM 0 HE2 LYS A 69 14.931 -6.496 11.659 1.00 0.00 H new ATOM 0 HE3 LYS A 69 15.075 -6.672 9.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 15.763 -8.666 11.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 17.082 -7.976 10.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 16.943 -7.805 11.930 1.00 0.00 H new ATOM 1118 N MET A 70 17.369 -1.705 12.472 1.00 0.00 N ATOM 1119 CA MET A 70 18.134 -0.998 13.520 1.00 0.00 C ATOM 1120 C MET A 70 19.473 -1.660 13.861 1.00 0.00 C ATOM 1121 O MET A 70 20.268 -1.030 14.593 1.00 0.00 O ATOM 1122 CB MET A 70 17.282 -0.800 14.785 1.00 0.00 C ATOM 1123 CG MET A 70 16.604 -2.061 15.321 1.00 0.00 C ATOM 1124 SD MET A 70 14.908 -2.291 14.696 1.00 0.00 S ATOM 1125 CE MET A 70 14.184 -3.020 16.159 1.00 0.00 C ATOM 1126 OXT MET A 70 19.666 -2.815 13.406 1.00 0.00 O ATOM 0 H MET A 70 17.525 -2.713 12.478 1.00 0.00 H new ATOM 0 HA MET A 70 18.381 -0.022 13.101 1.00 0.00 H new ATOM 0 HB2 MET A 70 17.917 -0.387 15.569 1.00 0.00 H new ATOM 0 HB3 MET A 70 16.514 -0.057 14.573 1.00 0.00 H new ATOM 0 HG2 MET A 70 17.204 -2.930 15.051 1.00 0.00 H new ATOM 0 HG3 MET A 70 16.579 -2.017 16.410 1.00 0.00 H new ATOM 0 HE1 MET A 70 13.132 -3.237 15.975 1.00 0.00 H new ATOM 0 HE2 MET A 70 14.708 -3.944 16.402 1.00 0.00 H new ATOM 0 HE3 MET A 70 14.270 -2.324 16.993 1.00 0.00 H new TER 1136 MET A 70