USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 466 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -158:sc= -0.014 (180deg=-0.178) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.705 K(o=-0.7,f=-8.6!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -6.13! C(o=-6.1!,f=-6.1!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 168:sc= 0.577 (180deg=0.488) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.439 X(o=-0.44,f=-0.16) USER MOD Single : A 61 SER OG : rot 84:sc= 0.701 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.102 X(o=-0.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.389 29.891 -6.404 1.00 0.00 N ATOM 2 CA GLY A 1 0.473 30.320 -7.540 1.00 0.00 C ATOM 3 C GLY A 1 -0.245 31.404 -8.345 1.00 0.00 C ATOM 4 O GLY A 1 -0.648 31.190 -9.471 1.00 0.00 O ATOM 0 H1 GLY A 1 0.099 29.154 -5.857 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.584 30.707 -5.789 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.285 29.512 -6.772 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.424 30.700 -7.166 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.700 29.467 -8.180 1.00 0.00 H new ATOM 10 N LYS A 2 -0.412 32.567 -7.777 1.00 0.00 N ATOM 11 CA LYS A 2 -1.106 33.663 -8.510 1.00 0.00 C ATOM 12 C LYS A 2 -0.120 34.343 -9.460 1.00 0.00 C ATOM 13 O LYS A 2 -0.261 34.278 -10.666 1.00 0.00 O ATOM 14 CB LYS A 2 -1.641 34.686 -7.506 1.00 0.00 C ATOM 15 CG LYS A 2 -2.559 33.981 -6.506 1.00 0.00 C ATOM 16 CD LYS A 2 -4.016 34.322 -6.824 1.00 0.00 C ATOM 17 CE LYS A 2 -4.907 33.124 -6.487 1.00 0.00 C ATOM 18 NZ LYS A 2 -4.739 32.071 -7.529 1.00 0.00 N ATOM 0 H LYS A 2 -0.098 32.805 -6.836 1.00 0.00 H new ATOM 0 HA LYS A 2 -1.936 33.251 -9.084 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -0.814 35.166 -6.982 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -2.187 35.472 -8.027 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -2.408 32.903 -6.555 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -2.315 34.292 -5.490 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -4.330 35.194 -6.251 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -4.118 34.580 -7.878 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -4.644 32.726 -5.507 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -5.950 33.436 -6.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -5.571 31.447 -7.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -4.642 32.519 -8.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -3.887 31.512 -7.323 1.00 0.00 H new ATOM 32 N GLU A 3 0.881 34.993 -8.930 1.00 0.00 N ATOM 33 CA GLU A 3 1.874 35.671 -9.808 1.00 0.00 C ATOM 34 C GLU A 3 3.035 34.715 -10.090 1.00 0.00 C ATOM 35 O GLU A 3 3.861 34.963 -10.945 1.00 0.00 O ATOM 36 CB GLU A 3 2.405 36.927 -9.113 1.00 0.00 C ATOM 37 CG GLU A 3 3.303 37.701 -10.079 1.00 0.00 C ATOM 38 CD GLU A 3 2.713 39.091 -10.321 1.00 0.00 C ATOM 39 OE1 GLU A 3 2.540 39.815 -9.354 1.00 0.00 O ATOM 40 OE2 GLU A 3 2.443 39.407 -11.467 1.00 0.00 O ATOM 0 H GLU A 3 1.053 35.083 -7.929 1.00 0.00 H new ATOM 0 HA GLU A 3 1.395 35.954 -10.746 1.00 0.00 H new ATOM 0 HB2 GLU A 3 1.575 37.555 -8.788 1.00 0.00 H new ATOM 0 HB3 GLU A 3 2.965 36.652 -8.219 1.00 0.00 H new ATOM 0 HG2 GLU A 3 4.309 37.788 -9.667 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.390 37.162 -11.022 1.00 0.00 H new ATOM 47 N CYS A 4 3.100 33.622 -9.379 1.00 0.00 N ATOM 48 CA CYS A 4 4.204 32.647 -9.608 1.00 0.00 C ATOM 49 C CYS A 4 3.604 31.306 -10.041 1.00 0.00 C ATOM 50 O CYS A 4 3.081 30.562 -9.235 1.00 0.00 O ATOM 51 CB CYS A 4 4.997 32.449 -8.309 1.00 0.00 C ATOM 52 SG CYS A 4 6.630 33.208 -8.407 1.00 0.00 S ATOM 0 H CYS A 4 2.436 33.362 -8.649 1.00 0.00 H new ATOM 0 HA CYS A 4 4.870 33.026 -10.384 1.00 0.00 H new ATOM 0 HB2 CYS A 4 4.444 32.881 -7.475 1.00 0.00 H new ATOM 0 HB3 CYS A 4 5.102 31.383 -8.105 1.00 0.00 H new ATOM 57 N ASP A 5 3.672 30.991 -11.307 1.00 0.00 N ATOM 58 CA ASP A 5 3.102 29.702 -11.784 1.00 0.00 C ATOM 59 C ASP A 5 4.144 28.592 -11.625 1.00 0.00 C ATOM 60 O ASP A 5 3.987 27.502 -12.138 1.00 0.00 O ATOM 61 CB ASP A 5 2.719 29.835 -13.259 1.00 0.00 C ATOM 62 CG ASP A 5 1.557 28.892 -13.571 1.00 0.00 C ATOM 63 OD1 ASP A 5 1.822 27.749 -13.906 1.00 0.00 O ATOM 64 OD2 ASP A 5 0.423 29.328 -13.469 1.00 0.00 O ATOM 0 H ASP A 5 4.098 31.572 -12.030 1.00 0.00 H new ATOM 0 HA ASP A 5 2.218 29.454 -11.197 1.00 0.00 H new ATOM 0 HB2 ASP A 5 2.436 30.864 -13.481 1.00 0.00 H new ATOM 0 HB3 ASP A 5 3.575 29.597 -13.891 1.00 0.00 H new ATOM 69 N CYS A 6 5.207 28.859 -10.917 1.00 0.00 N ATOM 70 CA CYS A 6 6.256 27.819 -10.728 1.00 0.00 C ATOM 71 C CYS A 6 7.080 28.144 -9.481 1.00 0.00 C ATOM 72 O CYS A 6 6.996 29.227 -8.935 1.00 0.00 O ATOM 73 CB CYS A 6 7.171 27.792 -11.953 1.00 0.00 C ATOM 74 SG CYS A 6 7.926 29.421 -12.180 1.00 0.00 S ATOM 0 H CYS A 6 5.394 29.752 -10.462 1.00 0.00 H new ATOM 0 HA CYS A 6 5.784 26.844 -10.605 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.945 27.035 -11.825 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.600 27.517 -12.840 1.00 0.00 H new ATOM 79 N SER A 7 7.875 27.217 -9.024 1.00 0.00 N ATOM 80 CA SER A 7 8.703 27.476 -7.810 1.00 0.00 C ATOM 81 C SER A 7 10.188 27.361 -8.165 1.00 0.00 C ATOM 82 O SER A 7 11.050 27.608 -7.346 1.00 0.00 O ATOM 83 CB SER A 7 8.357 26.453 -6.728 1.00 0.00 C ATOM 84 OG SER A 7 8.273 27.110 -5.469 1.00 0.00 O ATOM 0 H SER A 7 7.988 26.291 -9.437 1.00 0.00 H new ATOM 0 HA SER A 7 8.497 28.480 -7.440 1.00 0.00 H new ATOM 0 HB2 SER A 7 7.410 25.966 -6.961 1.00 0.00 H new ATOM 0 HB3 SER A 7 9.117 25.672 -6.694 1.00 0.00 H new ATOM 0 HG SER A 7 8.050 26.457 -4.773 1.00 0.00 H new ATOM 90 N SER A 8 10.495 26.990 -9.379 1.00 0.00 N ATOM 91 CA SER A 8 11.925 26.863 -9.778 1.00 0.00 C ATOM 92 C SER A 8 12.239 27.890 -10.872 1.00 0.00 C ATOM 93 O SER A 8 11.419 28.145 -11.731 1.00 0.00 O ATOM 94 CB SER A 8 12.182 25.452 -10.311 1.00 0.00 C ATOM 95 OG SER A 8 11.862 24.503 -9.303 1.00 0.00 O ATOM 0 H SER A 8 9.818 26.770 -10.110 1.00 0.00 H new ATOM 0 HA SER A 8 12.564 27.045 -8.914 1.00 0.00 H new ATOM 0 HB2 SER A 8 11.579 25.272 -11.201 1.00 0.00 H new ATOM 0 HB3 SER A 8 13.226 25.347 -10.607 1.00 0.00 H new ATOM 0 HG SER A 8 12.024 23.598 -9.642 1.00 0.00 H new ATOM 101 N PRO A 9 13.420 28.453 -10.805 1.00 0.00 N ATOM 102 CA PRO A 9 13.873 29.464 -11.778 1.00 0.00 C ATOM 103 C PRO A 9 14.326 28.797 -13.082 1.00 0.00 C ATOM 104 O PRO A 9 14.703 29.462 -14.026 1.00 0.00 O ATOM 105 CB PRO A 9 15.056 30.132 -11.073 1.00 0.00 C ATOM 106 CG PRO A 9 15.569 29.119 -10.022 1.00 0.00 C ATOM 107 CD PRO A 9 14.412 28.138 -9.755 1.00 0.00 C ATOM 0 HA PRO A 9 13.089 30.169 -12.056 1.00 0.00 H new ATOM 0 HB2 PRO A 9 15.841 30.383 -11.786 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.749 31.063 -10.597 1.00 0.00 H new ATOM 0 HG2 PRO A 9 16.448 28.590 -10.390 1.00 0.00 H new ATOM 0 HG3 PRO A 9 15.865 29.628 -9.105 1.00 0.00 H new ATOM 0 HD2 PRO A 9 14.745 27.102 -9.820 1.00 0.00 H new ATOM 0 HD3 PRO A 9 13.994 28.277 -8.758 1.00 0.00 H new ATOM 115 N GLU A 10 14.298 27.493 -13.143 1.00 0.00 N ATOM 116 CA GLU A 10 14.736 26.803 -14.390 1.00 0.00 C ATOM 117 C GLU A 10 13.513 26.349 -15.193 1.00 0.00 C ATOM 118 O GLU A 10 13.628 25.933 -16.328 1.00 0.00 O ATOM 119 CB GLU A 10 15.592 25.586 -14.032 1.00 0.00 C ATOM 120 CG GLU A 10 14.902 24.772 -12.935 1.00 0.00 C ATOM 121 CD GLU A 10 15.672 23.471 -12.707 1.00 0.00 C ATOM 122 OE1 GLU A 10 15.410 22.518 -13.422 1.00 0.00 O ATOM 123 OE2 GLU A 10 16.511 23.448 -11.822 1.00 0.00 O ATOM 0 H GLU A 10 13.993 26.879 -12.388 1.00 0.00 H new ATOM 0 HA GLU A 10 15.323 27.496 -14.992 1.00 0.00 H new ATOM 0 HB2 GLU A 10 15.746 24.966 -14.915 1.00 0.00 H new ATOM 0 HB3 GLU A 10 16.576 25.909 -13.693 1.00 0.00 H new ATOM 0 HG2 GLU A 10 14.859 25.349 -12.011 1.00 0.00 H new ATOM 0 HG3 GLU A 10 13.873 24.553 -13.222 1.00 0.00 H new ATOM 130 N ASN A 11 12.343 26.429 -14.620 1.00 0.00 N ATOM 131 CA ASN A 11 11.122 26.001 -15.365 1.00 0.00 C ATOM 132 C ASN A 11 11.057 26.755 -16.701 1.00 0.00 C ATOM 133 O ASN A 11 11.014 27.970 -16.717 1.00 0.00 O ATOM 134 CB ASN A 11 9.881 26.330 -14.533 1.00 0.00 C ATOM 135 CG ASN A 11 8.697 25.501 -15.034 1.00 0.00 C ATOM 136 OD1 ASN A 11 8.093 25.826 -16.037 1.00 0.00 O ATOM 137 ND2 ASN A 11 8.335 24.435 -14.372 1.00 0.00 N ATOM 0 H ASN A 11 12.179 26.770 -13.673 1.00 0.00 H new ATOM 0 HA ASN A 11 11.161 24.928 -15.552 1.00 0.00 H new ATOM 0 HB2 ASN A 11 10.069 26.117 -13.481 1.00 0.00 H new ATOM 0 HB3 ASN A 11 9.652 27.393 -14.607 1.00 0.00 H new ATOM 0 HD21 ASN A 11 7.546 23.876 -14.697 1.00 0.00 H new ATOM 0 HD22 ASN A 11 8.841 24.161 -13.530 1.00 0.00 H new ATOM 144 N PRO A 12 11.060 26.016 -17.787 1.00 0.00 N ATOM 145 CA PRO A 12 11.011 26.596 -19.144 1.00 0.00 C ATOM 146 C PRO A 12 9.587 27.019 -19.523 1.00 0.00 C ATOM 147 O PRO A 12 9.299 27.288 -20.672 1.00 0.00 O ATOM 148 CB PRO A 12 11.490 25.450 -20.039 1.00 0.00 C ATOM 149 CG PRO A 12 11.239 24.144 -19.248 1.00 0.00 C ATOM 150 CD PRO A 12 11.116 24.540 -17.765 1.00 0.00 C ATOM 0 HA PRO A 12 11.618 27.497 -19.235 1.00 0.00 H new ATOM 0 HB2 PRO A 12 10.947 25.442 -20.984 1.00 0.00 H new ATOM 0 HB3 PRO A 12 12.547 25.561 -20.280 1.00 0.00 H new ATOM 0 HG2 PRO A 12 10.330 23.651 -19.593 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.058 23.440 -19.394 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.221 24.114 -17.312 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.967 24.182 -17.185 1.00 0.00 H new ATOM 158 N CYS A 13 8.696 27.085 -18.575 1.00 0.00 N ATOM 159 CA CYS A 13 7.301 27.496 -18.895 1.00 0.00 C ATOM 160 C CYS A 13 7.041 28.884 -18.314 1.00 0.00 C ATOM 161 O CYS A 13 6.677 29.806 -19.019 1.00 0.00 O ATOM 162 CB CYS A 13 6.323 26.496 -18.277 1.00 0.00 C ATOM 163 SG CYS A 13 6.705 24.831 -18.875 1.00 0.00 S ATOM 0 H CYS A 13 8.873 26.872 -17.593 1.00 0.00 H new ATOM 0 HA CYS A 13 7.164 27.519 -19.976 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.392 26.528 -17.190 1.00 0.00 H new ATOM 0 HB3 CYS A 13 5.299 26.762 -18.540 1.00 0.00 H new ATOM 168 N CYS A 14 7.222 29.034 -17.032 1.00 0.00 N ATOM 169 CA CYS A 14 6.979 30.354 -16.390 1.00 0.00 C ATOM 170 C CYS A 14 8.168 31.283 -16.634 1.00 0.00 C ATOM 171 O CYS A 14 9.307 30.918 -16.425 1.00 0.00 O ATOM 172 CB CYS A 14 6.789 30.161 -14.884 1.00 0.00 C ATOM 173 SG CYS A 14 8.316 29.514 -14.161 1.00 0.00 S ATOM 0 H CYS A 14 7.529 28.295 -16.399 1.00 0.00 H new ATOM 0 HA CYS A 14 6.082 30.799 -16.821 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.526 31.109 -14.415 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.965 29.473 -14.696 1.00 0.00 H new ATOM 178 N ASP A 15 7.908 32.487 -17.064 1.00 0.00 N ATOM 179 CA ASP A 15 9.021 33.443 -17.305 1.00 0.00 C ATOM 180 C ASP A 15 9.772 33.661 -15.992 1.00 0.00 C ATOM 181 O ASP A 15 9.171 33.850 -14.950 1.00 0.00 O ATOM 182 CB ASP A 15 8.453 34.776 -17.798 1.00 0.00 C ATOM 183 CG ASP A 15 8.804 34.970 -19.274 1.00 0.00 C ATOM 184 OD1 ASP A 15 9.145 33.990 -19.916 1.00 0.00 O ATOM 185 OD2 ASP A 15 8.726 36.096 -19.738 1.00 0.00 O ATOM 0 H ASP A 15 6.974 32.848 -17.258 1.00 0.00 H new ATOM 0 HA ASP A 15 9.699 33.043 -18.059 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.371 34.793 -17.666 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.859 35.597 -17.207 1.00 0.00 H new ATOM 190 N ALA A 16 11.076 33.626 -16.028 1.00 0.00 N ATOM 191 CA ALA A 16 11.867 33.821 -14.780 1.00 0.00 C ATOM 192 C ALA A 16 11.886 35.305 -14.405 1.00 0.00 C ATOM 193 O ALA A 16 12.462 35.694 -13.407 1.00 0.00 O ATOM 194 CB ALA A 16 13.300 33.337 -15.007 1.00 0.00 C ATOM 0 H ALA A 16 11.629 33.470 -16.871 1.00 0.00 H new ATOM 0 HA ALA A 16 11.410 33.251 -13.971 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.881 33.479 -14.095 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.289 32.279 -15.270 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.753 33.908 -15.818 1.00 0.00 H new ATOM 200 N ALA A 17 11.265 36.137 -15.193 1.00 0.00 N ATOM 201 CA ALA A 17 11.252 37.592 -14.876 1.00 0.00 C ATOM 202 C ALA A 17 9.984 37.933 -14.090 1.00 0.00 C ATOM 203 O ALA A 17 10.023 38.652 -13.112 1.00 0.00 O ATOM 204 CB ALA A 17 11.278 38.397 -16.177 1.00 0.00 C ATOM 0 H ALA A 17 10.766 35.873 -16.042 1.00 0.00 H new ATOM 0 HA ALA A 17 12.128 37.841 -14.277 1.00 0.00 H new ATOM 0 HB1 ALA A 17 11.268 39.462 -15.946 1.00 0.00 H new ATOM 0 HB2 ALA A 17 12.182 38.155 -16.737 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.402 38.148 -16.777 1.00 0.00 H new ATOM 210 N THR A 18 8.858 37.425 -14.511 1.00 0.00 N ATOM 211 CA THR A 18 7.588 37.724 -13.789 1.00 0.00 C ATOM 212 C THR A 18 7.073 36.456 -13.105 1.00 0.00 C ATOM 213 O THR A 18 6.043 36.462 -12.461 1.00 0.00 O ATOM 214 CB THR A 18 6.543 38.224 -14.787 1.00 0.00 C ATOM 215 OG1 THR A 18 6.354 37.247 -15.801 1.00 0.00 O ATOM 216 CG2 THR A 18 7.023 39.530 -15.418 1.00 0.00 C ATOM 0 H THR A 18 8.762 36.816 -15.324 1.00 0.00 H new ATOM 0 HA THR A 18 7.772 38.490 -13.036 1.00 0.00 H new ATOM 0 HB THR A 18 5.600 38.398 -14.270 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.683 37.565 -16.441 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.278 39.886 -16.129 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.168 40.279 -14.639 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.966 39.358 -15.936 1.00 0.00 H new ATOM 224 N CYS A 19 7.779 35.366 -13.239 1.00 0.00 N ATOM 225 CA CYS A 19 7.324 34.102 -12.593 1.00 0.00 C ATOM 226 C CYS A 19 5.954 33.703 -13.142 1.00 0.00 C ATOM 227 O CYS A 19 5.004 33.551 -12.403 1.00 0.00 O ATOM 228 CB CYS A 19 7.194 34.310 -11.086 1.00 0.00 C ATOM 229 SG CYS A 19 7.284 32.726 -10.244 1.00 0.00 S ATOM 0 H CYS A 19 8.649 35.296 -13.767 1.00 0.00 H new ATOM 0 HA CYS A 19 8.054 33.321 -12.803 1.00 0.00 H new ATOM 0 HB2 CYS A 19 7.988 34.967 -10.730 1.00 0.00 H new ATOM 0 HB3 CYS A 19 6.248 34.801 -10.857 1.00 0.00 H new ATOM 234 N LYS A 20 5.832 33.530 -14.426 1.00 0.00 N ATOM 235 CA LYS A 20 4.506 33.140 -14.987 1.00 0.00 C ATOM 236 C LYS A 20 4.684 32.613 -16.411 1.00 0.00 C ATOM 237 O LYS A 20 5.541 33.062 -17.145 1.00 0.00 O ATOM 238 CB LYS A 20 3.580 34.357 -15.000 1.00 0.00 C ATOM 239 CG LYS A 20 2.353 34.077 -14.127 1.00 0.00 C ATOM 240 CD LYS A 20 1.252 33.441 -14.978 1.00 0.00 C ATOM 241 CE LYS A 20 -0.064 34.191 -14.758 1.00 0.00 C ATOM 242 NZ LYS A 20 -1.210 33.255 -14.945 1.00 0.00 N ATOM 0 H LYS A 20 6.583 33.640 -15.108 1.00 0.00 H new ATOM 0 HA LYS A 20 4.067 32.358 -14.368 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.110 35.234 -14.629 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.270 34.580 -16.021 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.622 33.412 -13.306 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.992 35.004 -13.681 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.529 33.473 -16.032 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.133 32.391 -14.711 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.089 34.616 -13.755 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.142 35.022 -15.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.103 33.766 -14.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.189 32.869 -15.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.137 32.476 -14.260 1.00 0.00 H new ATOM 256 N LEU A 21 3.882 31.664 -16.808 1.00 0.00 N ATOM 257 CA LEU A 21 4.015 31.110 -18.184 1.00 0.00 C ATOM 258 C LEU A 21 3.835 32.239 -19.203 1.00 0.00 C ATOM 259 O LEU A 21 2.786 32.846 -19.298 1.00 0.00 O ATOM 260 CB LEU A 21 2.969 30.012 -18.404 1.00 0.00 C ATOM 261 CG LEU A 21 2.806 29.200 -17.117 1.00 0.00 C ATOM 262 CD1 LEU A 21 1.402 29.415 -16.549 1.00 0.00 C ATOM 263 CD2 LEU A 21 3.008 27.716 -17.420 1.00 0.00 C ATOM 0 H LEU A 21 3.143 31.249 -16.241 1.00 0.00 H new ATOM 0 HA LEU A 21 5.005 30.673 -18.312 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.015 30.455 -18.691 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.276 29.360 -19.222 1.00 0.00 H new ATOM 0 HG LEU A 21 3.547 29.528 -16.388 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.288 28.836 -15.633 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.256 30.473 -16.331 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.661 29.090 -17.279 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.892 27.138 -16.503 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.268 27.390 -18.151 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.009 27.560 -17.823 1.00 0.00 H new ATOM 275 N ARG A 22 4.867 32.536 -19.951 1.00 0.00 N ATOM 276 CA ARG A 22 4.779 33.643 -20.953 1.00 0.00 C ATOM 277 C ARG A 22 3.913 33.234 -22.152 1.00 0.00 C ATOM 278 O ARG A 22 3.059 33.991 -22.573 1.00 0.00 O ATOM 279 CB ARG A 22 6.186 34.004 -21.442 1.00 0.00 C ATOM 280 CG ARG A 22 6.233 35.486 -21.818 1.00 0.00 C ATOM 281 CD ARG A 22 6.689 35.628 -23.273 1.00 0.00 C ATOM 282 NE ARG A 22 6.480 37.032 -23.730 1.00 0.00 N ATOM 283 CZ ARG A 22 6.703 38.026 -22.915 1.00 0.00 C ATOM 284 NH1 ARG A 22 7.854 38.127 -22.309 1.00 0.00 N ATOM 285 NH2 ARG A 22 5.775 38.919 -22.706 1.00 0.00 N ATOM 0 H ARG A 22 5.768 32.060 -19.912 1.00 0.00 H new ATOM 0 HA ARG A 22 4.318 34.505 -20.472 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.918 33.793 -20.663 1.00 0.00 H new ATOM 0 HB3 ARG A 22 6.451 33.391 -22.303 1.00 0.00 H new ATOM 0 HG2 ARG A 22 5.249 35.937 -21.688 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.917 36.019 -21.157 1.00 0.00 H new ATOM 0 HD2 ARG A 22 7.742 35.359 -23.362 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.130 34.941 -23.908 1.00 0.00 H new ATOM 0 HE ARG A 22 6.162 37.216 -24.682 1.00 0.00 H new ATOM 0 HH11 ARG A 22 8.579 37.429 -22.472 1.00 0.00 H new ATOM 0 HH12 ARG A 22 8.028 38.904 -21.672 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.875 38.840 -23.180 1.00 0.00 H new ATOM 0 HH22 ARG A 22 5.949 39.696 -22.069 1.00 0.00 H new ATOM 299 N PRO A 23 4.164 32.064 -22.685 1.00 0.00 N ATOM 300 CA PRO A 23 3.421 31.559 -23.853 1.00 0.00 C ATOM 301 C PRO A 23 2.057 31.008 -23.432 1.00 0.00 C ATOM 302 O PRO A 23 1.739 30.935 -22.262 1.00 0.00 O ATOM 303 CB PRO A 23 4.320 30.444 -24.392 1.00 0.00 C ATOM 304 CG PRO A 23 5.214 29.993 -23.213 1.00 0.00 C ATOM 305 CD PRO A 23 5.198 31.137 -22.180 1.00 0.00 C ATOM 0 HA PRO A 23 3.214 32.331 -24.594 1.00 0.00 H new ATOM 0 HB2 PRO A 23 3.724 29.612 -24.767 1.00 0.00 H new ATOM 0 HB3 PRO A 23 4.926 30.802 -25.224 1.00 0.00 H new ATOM 0 HG2 PRO A 23 4.837 29.070 -22.773 1.00 0.00 H new ATOM 0 HG3 PRO A 23 6.230 29.793 -23.553 1.00 0.00 H new ATOM 0 HD2 PRO A 23 4.952 30.771 -21.183 1.00 0.00 H new ATOM 0 HD3 PRO A 23 6.170 31.624 -22.110 1.00 0.00 H new ATOM 313 N GLY A 24 1.248 30.621 -24.382 1.00 0.00 N ATOM 314 CA GLY A 24 -0.095 30.076 -24.043 1.00 0.00 C ATOM 315 C GLY A 24 0.065 28.699 -23.396 1.00 0.00 C ATOM 316 O GLY A 24 -0.462 27.714 -23.874 1.00 0.00 O ATOM 0 H GLY A 24 1.461 30.660 -25.379 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.613 30.752 -23.363 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.706 29.999 -24.942 1.00 0.00 H new ATOM 320 N ALA A 25 0.786 28.621 -22.311 1.00 0.00 N ATOM 321 CA ALA A 25 0.972 27.308 -21.637 1.00 0.00 C ATOM 322 C ALA A 25 -0.177 27.081 -20.655 1.00 0.00 C ATOM 323 O ALA A 25 -0.957 27.973 -20.383 1.00 0.00 O ATOM 324 CB ALA A 25 2.303 27.305 -20.879 1.00 0.00 C ATOM 0 H ALA A 25 1.253 29.410 -21.864 1.00 0.00 H new ATOM 0 HA ALA A 25 0.981 26.512 -22.381 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.438 26.343 -20.385 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.121 27.472 -21.580 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.298 28.098 -20.132 1.00 0.00 H new ATOM 330 N GLN A 26 -0.293 25.899 -20.121 1.00 0.00 N ATOM 331 CA GLN A 26 -1.397 25.624 -19.160 1.00 0.00 C ATOM 332 C GLN A 26 -0.882 25.808 -17.732 1.00 0.00 C ATOM 333 O GLN A 26 -1.460 26.525 -16.940 1.00 0.00 O ATOM 334 CB GLN A 26 -1.891 24.188 -19.346 1.00 0.00 C ATOM 335 CG GLN A 26 -2.370 23.995 -20.785 1.00 0.00 C ATOM 336 CD GLN A 26 -3.891 23.832 -20.802 1.00 0.00 C ATOM 337 OE1 GLN A 26 -4.410 22.917 -21.411 1.00 0.00 O ATOM 338 NE2 GLN A 26 -4.634 24.686 -20.152 1.00 0.00 N ATOM 0 H GLN A 26 0.328 25.111 -20.308 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.220 26.315 -19.342 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -1.089 23.485 -19.121 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.703 23.979 -18.650 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -2.079 24.851 -21.394 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.895 23.117 -21.222 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -4.200 25.454 -19.641 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -5.649 24.585 -20.155 1.00 0.00 H new ATOM 347 N CYS A 27 0.201 25.163 -17.397 1.00 0.00 N ATOM 348 CA CYS A 27 0.754 25.297 -16.020 1.00 0.00 C ATOM 349 C CYS A 27 2.281 25.203 -16.075 1.00 0.00 C ATOM 350 O CYS A 27 2.844 24.615 -16.977 1.00 0.00 O ATOM 351 CB CYS A 27 0.198 24.182 -15.132 1.00 0.00 C ATOM 352 SG CYS A 27 0.020 22.662 -16.099 1.00 0.00 S ATOM 0 H CYS A 27 0.727 24.548 -18.018 1.00 0.00 H new ATOM 0 HA CYS A 27 0.466 26.262 -15.604 1.00 0.00 H new ATOM 0 HB2 CYS A 27 0.865 24.011 -14.287 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.767 24.478 -14.722 1.00 0.00 H new ATOM 357 N GLY A 28 2.955 25.777 -15.117 1.00 0.00 N ATOM 358 CA GLY A 28 4.445 25.721 -15.117 1.00 0.00 C ATOM 359 C GLY A 28 4.917 24.578 -14.217 1.00 0.00 C ATOM 360 O GLY A 28 5.931 23.958 -14.466 1.00 0.00 O ATOM 0 H GLY A 28 2.539 26.282 -14.334 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.813 25.573 -16.132 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.854 26.668 -14.764 1.00 0.00 H new ATOM 364 N GLU A 29 4.190 24.296 -13.172 1.00 0.00 N ATOM 365 CA GLU A 29 4.600 23.195 -12.258 1.00 0.00 C ATOM 366 C GLU A 29 3.360 22.429 -11.793 1.00 0.00 C ATOM 367 O GLU A 29 2.258 22.942 -11.807 1.00 0.00 O ATOM 368 CB GLU A 29 5.320 23.782 -11.044 1.00 0.00 C ATOM 369 CG GLU A 29 6.255 22.730 -10.447 1.00 0.00 C ATOM 370 CD GLU A 29 7.708 23.166 -10.639 1.00 0.00 C ATOM 371 OE1 GLU A 29 7.965 24.356 -10.552 1.00 0.00 O ATOM 372 OE2 GLU A 29 8.540 22.304 -10.867 1.00 0.00 O ATOM 0 H GLU A 29 3.331 24.780 -12.912 1.00 0.00 H new ATOM 0 HA GLU A 29 5.270 22.516 -12.785 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.888 24.665 -11.337 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.594 24.104 -10.298 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.041 22.599 -9.386 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.088 21.766 -10.927 1.00 0.00 H new ATOM 379 N GLY A 30 3.532 21.205 -11.380 1.00 0.00 N ATOM 380 CA GLY A 30 2.366 20.405 -10.914 1.00 0.00 C ATOM 381 C GLY A 30 2.703 18.917 -11.019 1.00 0.00 C ATOM 382 O GLY A 30 3.665 18.532 -11.653 1.00 0.00 O ATOM 0 H GLY A 30 4.431 20.724 -11.345 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.121 20.663 -9.884 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.488 20.635 -11.517 1.00 0.00 H new ATOM 386 N LEU A 31 1.919 18.077 -10.403 1.00 0.00 N ATOM 387 CA LEU A 31 2.195 16.617 -10.471 1.00 0.00 C ATOM 388 C LEU A 31 1.731 16.073 -11.824 1.00 0.00 C ATOM 389 O LEU A 31 1.813 14.890 -12.088 1.00 0.00 O ATOM 390 CB LEU A 31 1.443 15.902 -9.348 1.00 0.00 C ATOM 391 CG LEU A 31 2.367 15.739 -8.142 1.00 0.00 C ATOM 392 CD1 LEU A 31 1.539 15.382 -6.906 1.00 0.00 C ATOM 393 CD2 LEU A 31 3.373 14.621 -8.423 1.00 0.00 C ATOM 0 H LEU A 31 1.099 18.339 -9.856 1.00 0.00 H new ATOM 0 HA LEU A 31 3.265 16.444 -10.358 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.558 16.473 -9.067 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.098 14.926 -9.690 1.00 0.00 H new ATOM 0 HG LEU A 31 2.899 16.673 -7.962 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.199 15.266 -6.047 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.821 16.177 -6.707 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.006 14.448 -7.083 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.034 14.502 -7.564 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.839 13.688 -8.602 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.964 14.876 -9.303 1.00 0.00 H new ATOM 405 N CYS A 32 1.243 16.926 -12.685 1.00 0.00 N ATOM 406 CA CYS A 32 0.774 16.451 -14.016 1.00 0.00 C ATOM 407 C CYS A 32 0.934 17.568 -15.049 1.00 0.00 C ATOM 408 O CYS A 32 0.091 17.760 -15.902 1.00 0.00 O ATOM 409 CB CYS A 32 -0.700 16.055 -13.919 1.00 0.00 C ATOM 410 SG CYS A 32 -0.909 14.365 -14.531 1.00 0.00 S ATOM 0 H CYS A 32 1.150 17.929 -12.523 1.00 0.00 H new ATOM 0 HA CYS A 32 1.367 15.590 -14.323 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -1.039 16.124 -12.885 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -1.312 16.743 -14.502 1.00 0.00 H new ATOM 415 N CYS A 33 2.009 18.306 -14.982 1.00 0.00 N ATOM 416 CA CYS A 33 2.215 19.407 -15.966 1.00 0.00 C ATOM 417 C CYS A 33 3.564 19.227 -16.665 1.00 0.00 C ATOM 418 O CYS A 33 4.611 19.346 -16.058 1.00 0.00 O ATOM 419 CB CYS A 33 2.194 20.754 -15.241 1.00 0.00 C ATOM 420 SG CYS A 33 1.920 22.076 -16.443 1.00 0.00 S ATOM 0 H CYS A 33 2.751 18.195 -14.291 1.00 0.00 H new ATOM 0 HA CYS A 33 1.416 19.380 -16.707 1.00 0.00 H new ATOM 0 HB2 CYS A 33 1.406 20.762 -14.488 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.137 20.913 -14.717 1.00 0.00 H new ATOM 425 N GLU A 34 3.549 18.941 -17.940 1.00 0.00 N ATOM 426 CA GLU A 34 4.829 18.752 -18.679 1.00 0.00 C ATOM 427 C GLU A 34 4.811 19.594 -19.958 1.00 0.00 C ATOM 428 O GLU A 34 3.784 19.762 -20.587 1.00 0.00 O ATOM 429 CB GLU A 34 4.992 17.276 -19.042 1.00 0.00 C ATOM 430 CG GLU A 34 6.361 17.058 -19.687 1.00 0.00 C ATOM 431 CD GLU A 34 7.459 17.390 -18.676 1.00 0.00 C ATOM 432 OE1 GLU A 34 7.342 16.956 -17.541 1.00 0.00 O ATOM 433 OE2 GLU A 34 8.398 18.072 -19.053 1.00 0.00 O ATOM 0 H GLU A 34 2.704 18.830 -18.501 1.00 0.00 H new ATOM 0 HA GLU A 34 5.662 19.067 -18.050 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.896 16.658 -18.149 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.202 16.970 -19.728 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.458 16.024 -20.019 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.463 17.688 -20.571 1.00 0.00 H new ATOM 440 N GLN A 35 5.939 20.123 -20.348 1.00 0.00 N ATOM 441 CA GLN A 35 5.983 20.951 -21.586 1.00 0.00 C ATOM 442 C GLN A 35 5.064 22.163 -21.422 1.00 0.00 C ATOM 443 O GLN A 35 4.651 22.776 -22.387 1.00 0.00 O ATOM 444 CB GLN A 35 5.515 20.113 -22.777 1.00 0.00 C ATOM 445 CG GLN A 35 6.484 20.300 -23.947 1.00 0.00 C ATOM 446 CD GLN A 35 5.773 19.960 -25.257 1.00 0.00 C ATOM 447 OE1 GLN A 35 5.304 18.853 -25.439 1.00 0.00 O ATOM 448 NE2 GLN A 35 5.670 20.872 -26.184 1.00 0.00 N ATOM 0 H GLN A 35 6.830 20.018 -19.863 1.00 0.00 H new ATOM 0 HA GLN A 35 7.004 21.291 -21.760 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.465 19.061 -22.497 1.00 0.00 H new ATOM 0 HB3 GLN A 35 4.509 20.412 -23.073 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.845 21.328 -23.973 1.00 0.00 H new ATOM 0 HG3 GLN A 35 7.356 19.659 -23.817 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.063 21.801 -26.032 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.196 20.656 -27.061 1.00 0.00 H new ATOM 457 N CYS A 36 4.737 22.512 -20.208 1.00 0.00 N ATOM 458 CA CYS A 36 3.844 23.684 -19.985 1.00 0.00 C ATOM 459 C CYS A 36 2.430 23.336 -20.453 1.00 0.00 C ATOM 460 O CYS A 36 1.719 24.168 -20.980 1.00 0.00 O ATOM 461 CB CYS A 36 4.358 24.888 -20.781 1.00 0.00 C ATOM 462 SG CYS A 36 6.169 24.870 -20.821 1.00 0.00 S ATOM 0 H CYS A 36 5.049 22.037 -19.361 1.00 0.00 H new ATOM 0 HA CYS A 36 3.833 23.932 -18.924 1.00 0.00 H new ATOM 0 HB2 CYS A 36 3.962 24.860 -21.796 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.004 25.814 -20.327 1.00 0.00 H new ATOM 467 N LYS A 37 2.019 22.112 -20.270 1.00 0.00 N ATOM 468 CA LYS A 37 0.652 21.714 -20.709 1.00 0.00 C ATOM 469 C LYS A 37 0.149 20.568 -19.831 1.00 0.00 C ATOM 470 O LYS A 37 0.907 19.944 -19.115 1.00 0.00 O ATOM 471 CB LYS A 37 0.704 21.253 -22.166 1.00 0.00 C ATOM 472 CG LYS A 37 0.461 22.447 -23.091 1.00 0.00 C ATOM 473 CD LYS A 37 -0.012 21.947 -24.457 1.00 0.00 C ATOM 474 CE LYS A 37 0.110 23.073 -25.484 1.00 0.00 C ATOM 475 NZ LYS A 37 -0.854 22.836 -26.596 1.00 0.00 N ATOM 0 H LYS A 37 2.570 21.371 -19.836 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.023 22.565 -20.618 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.674 20.804 -22.382 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.049 20.485 -22.342 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.286 23.111 -22.656 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.377 23.027 -23.202 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.585 21.090 -24.769 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.046 21.609 -24.394 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.092 24.034 -25.012 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.127 23.117 -25.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.772 23.601 -27.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.641 21.926 -27.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.822 22.815 -26.217 1.00 0.00 H new ATOM 489 N PHE A 38 -1.124 20.285 -19.881 1.00 0.00 N ATOM 490 CA PHE A 38 -1.671 19.176 -19.049 1.00 0.00 C ATOM 491 C PHE A 38 -1.163 17.839 -19.590 1.00 0.00 C ATOM 492 O PHE A 38 -1.257 17.560 -20.769 1.00 0.00 O ATOM 493 CB PHE A 38 -3.199 19.200 -19.102 1.00 0.00 C ATOM 494 CG PHE A 38 -3.701 20.522 -18.573 1.00 0.00 C ATOM 495 CD1 PHE A 38 -3.074 21.119 -17.472 1.00 0.00 C ATOM 496 CD2 PHE A 38 -4.795 21.150 -19.181 1.00 0.00 C ATOM 497 CE1 PHE A 38 -3.540 22.344 -16.979 1.00 0.00 C ATOM 498 CE2 PHE A 38 -5.261 22.375 -18.688 1.00 0.00 C ATOM 499 CZ PHE A 38 -4.633 22.972 -17.588 1.00 0.00 C ATOM 0 H PHE A 38 -1.807 20.772 -20.460 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.344 19.301 -18.017 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.540 19.053 -20.127 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.607 18.381 -18.510 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.231 20.634 -17.003 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -5.279 20.690 -20.030 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.057 22.804 -16.130 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -6.105 22.859 -19.156 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.992 23.918 -17.209 1.00 0.00 H new ATOM 509 N SER A 39 -0.624 17.008 -18.740 1.00 0.00 N ATOM 510 CA SER A 39 -0.111 15.692 -19.213 1.00 0.00 C ATOM 511 C SER A 39 -1.245 14.925 -19.905 1.00 0.00 C ATOM 512 O SER A 39 -1.606 15.222 -21.027 1.00 0.00 O ATOM 513 CB SER A 39 0.416 14.893 -18.019 1.00 0.00 C ATOM 514 OG SER A 39 1.636 15.467 -17.572 1.00 0.00 O ATOM 0 H SER A 39 -0.517 17.183 -17.741 1.00 0.00 H new ATOM 0 HA SER A 39 0.701 15.844 -19.924 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.317 14.896 -17.213 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.573 13.853 -18.304 1.00 0.00 H new ATOM 0 HG SER A 39 1.975 14.959 -16.806 1.00 0.00 H new ATOM 520 N ARG A 40 -1.814 13.946 -19.252 1.00 0.00 N ATOM 521 CA ARG A 40 -2.923 13.175 -19.882 1.00 0.00 C ATOM 522 C ARG A 40 -3.989 12.861 -18.830 1.00 0.00 C ATOM 523 O ARG A 40 -3.788 13.064 -17.649 1.00 0.00 O ATOM 524 CB ARG A 40 -2.376 11.867 -20.456 1.00 0.00 C ATOM 525 CG ARG A 40 -1.393 12.174 -21.588 1.00 0.00 C ATOM 526 CD ARG A 40 -0.164 11.272 -21.461 1.00 0.00 C ATOM 527 NE ARG A 40 1.069 12.097 -21.582 1.00 0.00 N ATOM 528 CZ ARG A 40 1.334 12.715 -22.701 1.00 0.00 C ATOM 529 NH1 ARG A 40 1.625 12.028 -23.773 1.00 0.00 N ATOM 530 NH2 ARG A 40 1.306 14.018 -22.748 1.00 0.00 N ATOM 0 H ARG A 40 -1.558 13.648 -18.311 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.365 13.767 -20.683 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.878 11.295 -19.673 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.195 11.251 -20.829 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.874 12.016 -22.553 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.093 13.221 -21.549 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.176 10.755 -20.501 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.180 10.506 -22.236 1.00 0.00 H new ATOM 0 HE ARG A 40 1.707 12.180 -20.790 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.645 11.009 -23.736 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.832 12.511 -24.647 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.077 14.554 -21.911 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.513 14.501 -23.622 1.00 0.00 H new ATOM 544 N ALA A 41 -5.120 12.360 -19.247 1.00 0.00 N ATOM 545 CA ALA A 41 -6.193 12.028 -18.268 1.00 0.00 C ATOM 546 C ALA A 41 -5.923 10.643 -17.681 1.00 0.00 C ATOM 547 O ALA A 41 -5.404 9.768 -18.346 1.00 0.00 O ATOM 548 CB ALA A 41 -7.549 12.035 -18.976 1.00 0.00 C ATOM 0 H ALA A 41 -5.347 12.167 -20.222 1.00 0.00 H new ATOM 0 HA ALA A 41 -6.204 12.767 -17.467 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.334 11.792 -18.260 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.735 13.023 -19.397 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.546 11.295 -19.776 1.00 0.00 H new ATOM 554 N GLY A 42 -6.256 10.436 -16.436 1.00 0.00 N ATOM 555 CA GLY A 42 -5.998 9.108 -15.813 1.00 0.00 C ATOM 556 C GLY A 42 -4.490 8.945 -15.629 1.00 0.00 C ATOM 557 O GLY A 42 -3.955 7.856 -15.700 1.00 0.00 O ATOM 0 H GLY A 42 -6.694 11.126 -15.826 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.507 9.035 -14.852 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.391 8.311 -16.444 1.00 0.00 H new ATOM 561 N LYS A 43 -3.801 10.030 -15.400 1.00 0.00 N ATOM 562 CA LYS A 43 -2.323 9.959 -15.219 1.00 0.00 C ATOM 563 C LYS A 43 -1.997 9.765 -13.736 1.00 0.00 C ATOM 564 O LYS A 43 -2.370 10.560 -12.901 1.00 0.00 O ATOM 565 CB LYS A 43 -1.695 11.262 -15.726 1.00 0.00 C ATOM 566 CG LYS A 43 -0.279 11.417 -15.164 1.00 0.00 C ATOM 567 CD LYS A 43 0.582 10.230 -15.599 1.00 0.00 C ATOM 568 CE LYS A 43 2.033 10.476 -15.181 1.00 0.00 C ATOM 569 NZ LYS A 43 2.515 9.330 -14.360 1.00 0.00 N ATOM 0 H LYS A 43 -4.200 10.966 -15.330 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.921 9.117 -15.783 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.664 11.260 -16.816 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.309 12.111 -15.426 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.163 12.348 -15.518 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.314 11.474 -14.076 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.211 9.311 -15.144 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.520 10.098 -16.679 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.662 10.595 -16.064 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.106 11.402 -14.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.547 9.394 -14.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.062 9.358 -13.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.273 8.437 -14.835 1.00 0.00 H new ATOM 583 N ILE A 44 -1.297 8.715 -13.404 1.00 0.00 N ATOM 584 CA ILE A 44 -0.953 8.472 -11.975 1.00 0.00 C ATOM 585 C ILE A 44 -0.142 9.652 -11.434 1.00 0.00 C ATOM 586 O ILE A 44 0.908 9.986 -11.943 1.00 0.00 O ATOM 587 CB ILE A 44 -0.124 7.192 -11.867 1.00 0.00 C ATOM 588 CG1 ILE A 44 -1.012 5.986 -12.180 1.00 0.00 C ATOM 589 CG2 ILE A 44 0.437 7.059 -10.450 1.00 0.00 C ATOM 590 CD1 ILE A 44 -1.997 5.763 -11.032 1.00 0.00 C ATOM 0 H ILE A 44 -0.949 8.016 -14.060 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.868 8.367 -11.393 1.00 0.00 H new ATOM 0 HB ILE A 44 0.701 7.233 -12.578 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.554 6.153 -13.111 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.398 5.097 -12.324 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.027 6.146 -10.377 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.069 7.918 -10.227 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.385 7.018 -9.736 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.629 4.904 -11.256 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.446 5.577 -10.110 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.620 6.649 -10.910 1.00 0.00 H new ATOM 602 N CYS A 45 -0.634 10.289 -10.406 1.00 0.00 N ATOM 603 CA CYS A 45 0.093 11.455 -9.829 1.00 0.00 C ATOM 604 C CYS A 45 0.536 11.143 -8.398 1.00 0.00 C ATOM 605 O CYS A 45 1.440 11.760 -7.873 1.00 0.00 O ATOM 606 CB CYS A 45 -0.833 12.667 -9.815 1.00 0.00 C ATOM 607 SG CYS A 45 -2.473 12.166 -9.233 1.00 0.00 S ATOM 0 H CYS A 45 -1.510 10.051 -9.940 1.00 0.00 H new ATOM 0 HA CYS A 45 0.973 11.664 -10.438 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.426 13.442 -9.165 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.905 13.095 -10.815 1.00 0.00 H new ATOM 612 N ARG A 46 -0.096 10.197 -7.757 1.00 0.00 N ATOM 613 CA ARG A 46 0.298 9.868 -6.359 1.00 0.00 C ATOM 614 C ARG A 46 -0.083 8.429 -6.034 1.00 0.00 C ATOM 615 O ARG A 46 -1.240 8.057 -6.030 1.00 0.00 O ATOM 616 CB ARG A 46 -0.410 10.820 -5.394 1.00 0.00 C ATOM 617 CG ARG A 46 -0.151 10.378 -3.952 1.00 0.00 C ATOM 618 CD ARG A 46 -1.464 9.921 -3.314 1.00 0.00 C ATOM 619 NE ARG A 46 -2.440 11.048 -3.327 1.00 0.00 N ATOM 620 CZ ARG A 46 -2.106 12.208 -2.831 1.00 0.00 C ATOM 621 NH1 ARG A 46 -1.112 12.296 -1.988 1.00 0.00 N ATOM 622 NH2 ARG A 46 -2.766 13.281 -3.176 1.00 0.00 N ATOM 0 H ARG A 46 -0.862 9.642 -8.138 1.00 0.00 H new ATOM 0 HA ARG A 46 1.377 9.980 -6.255 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.050 11.838 -5.543 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.481 10.828 -5.596 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.576 9.566 -3.934 1.00 0.00 H new ATOM 0 HG3 ARG A 46 0.277 11.201 -3.379 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.869 9.069 -3.860 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.288 9.590 -2.291 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.370 10.912 -3.724 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.597 11.458 -1.718 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -0.851 13.203 -1.600 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -3.543 13.213 -3.833 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -2.505 14.187 -2.788 1.00 0.00 H new ATOM 636 N ILE A 47 0.897 7.623 -5.750 1.00 0.00 N ATOM 637 CA ILE A 47 0.637 6.203 -5.409 1.00 0.00 C ATOM 638 C ILE A 47 1.182 5.953 -3.988 1.00 0.00 C ATOM 639 O ILE A 47 2.318 6.281 -3.708 1.00 0.00 O ATOM 640 CB ILE A 47 1.346 5.320 -6.454 1.00 0.00 C ATOM 641 CG1 ILE A 47 0.299 4.702 -7.385 1.00 0.00 C ATOM 642 CG2 ILE A 47 2.144 4.203 -5.781 1.00 0.00 C ATOM 643 CD1 ILE A 47 -0.588 3.741 -6.592 1.00 0.00 C ATOM 0 H ILE A 47 1.881 7.893 -5.740 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.426 5.964 -5.423 1.00 0.00 H new ATOM 0 HB ILE A 47 2.037 5.944 -7.021 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.309 5.486 -7.836 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.790 4.171 -8.200 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.634 3.596 -6.543 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.897 4.639 -5.125 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.471 3.577 -5.195 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.333 3.302 -7.256 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.026 2.950 -6.162 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.090 4.285 -5.793 1.00 0.00 H new ATOM 655 N PRO A 48 0.361 5.394 -3.132 1.00 0.00 N ATOM 656 CA PRO A 48 0.751 5.113 -1.739 1.00 0.00 C ATOM 657 C PRO A 48 1.473 3.766 -1.701 1.00 0.00 C ATOM 658 O PRO A 48 2.669 3.675 -1.896 1.00 0.00 O ATOM 659 CB PRO A 48 -0.592 5.016 -1.012 1.00 0.00 C ATOM 660 CG PRO A 48 -1.640 4.634 -2.091 1.00 0.00 C ATOM 661 CD PRO A 48 -1.019 4.983 -3.458 1.00 0.00 C ATOM 0 HA PRO A 48 1.413 5.858 -1.299 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -0.554 4.265 -0.223 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -0.848 5.964 -0.539 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -1.882 3.573 -2.036 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -2.570 5.182 -1.938 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -1.031 4.126 -4.132 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -1.568 5.785 -3.952 1.00 0.00 H new ATOM 669 N ARG A 49 0.729 2.714 -1.505 1.00 0.00 N ATOM 670 CA ARG A 49 1.312 1.356 -1.510 1.00 0.00 C ATOM 671 C ARG A 49 0.631 0.626 -2.661 1.00 0.00 C ATOM 672 O ARG A 49 0.341 1.226 -3.677 1.00 0.00 O ATOM 673 CB ARG A 49 1.020 0.652 -0.181 1.00 0.00 C ATOM 674 CG ARG A 49 -0.497 0.538 0.025 1.00 0.00 C ATOM 675 CD ARG A 49 -1.020 1.721 0.849 1.00 0.00 C ATOM 676 NE ARG A 49 -0.045 2.074 1.920 1.00 0.00 N ATOM 677 CZ ARG A 49 0.113 1.286 2.948 1.00 0.00 C ATOM 678 NH1 ARG A 49 -0.931 0.821 3.581 1.00 0.00 N ATOM 679 NH2 ARG A 49 1.314 0.965 3.347 1.00 0.00 N ATOM 0 H ARG A 49 -0.277 2.745 -1.339 1.00 0.00 H new ATOM 0 HA ARG A 49 2.395 1.377 -1.631 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.472 -0.340 -0.177 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.467 1.209 0.642 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.000 0.511 -0.942 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.731 -0.398 0.533 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.185 2.581 0.200 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.983 1.467 1.293 1.00 0.00 H new ATOM 0 HE ARG A 49 0.500 2.933 1.849 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.869 1.074 3.272 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.808 0.205 4.385 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.129 1.330 2.855 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.437 0.349 4.151 1.00 0.00 H new ATOM 693 N LEU A 50 0.329 -0.630 -2.538 1.00 0.00 N ATOM 694 CA LEU A 50 -0.373 -1.277 -3.673 1.00 0.00 C ATOM 695 C LEU A 50 -1.606 -2.015 -3.188 1.00 0.00 C ATOM 696 O LEU A 50 -1.766 -2.294 -2.017 1.00 0.00 O ATOM 697 CB LEU A 50 0.548 -2.234 -4.423 1.00 0.00 C ATOM 698 CG LEU A 50 1.073 -1.532 -5.678 1.00 0.00 C ATOM 699 CD1 LEU A 50 -0.083 -0.884 -6.451 1.00 0.00 C ATOM 700 CD2 LEU A 50 2.048 -0.445 -5.255 1.00 0.00 C ATOM 0 H LEU A 50 0.529 -1.221 -1.731 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.680 -0.490 -4.362 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.378 -2.537 -3.785 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.008 -3.141 -4.696 1.00 0.00 H new ATOM 0 HG LEU A 50 1.564 -2.264 -6.319 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.306 -0.389 -7.341 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.798 -1.651 -6.747 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.580 -0.151 -5.816 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.431 0.065 -6.139 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.536 0.274 -4.615 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.877 -0.893 -4.707 1.00 0.00 H new ATOM 712 N ASP A 51 -2.487 -2.299 -4.102 1.00 0.00 N ATOM 713 CA ASP A 51 -3.754 -2.993 -3.768 1.00 0.00 C ATOM 714 C ASP A 51 -4.793 -1.939 -3.382 1.00 0.00 C ATOM 715 O ASP A 51 -5.964 -2.225 -3.230 1.00 0.00 O ATOM 716 CB ASP A 51 -3.547 -3.973 -2.609 1.00 0.00 C ATOM 717 CG ASP A 51 -4.701 -4.978 -2.575 1.00 0.00 C ATOM 718 OD1 ASP A 51 -5.658 -4.774 -3.303 1.00 0.00 O ATOM 719 OD2 ASP A 51 -4.607 -5.933 -1.824 1.00 0.00 O ATOM 0 H ASP A 51 -2.377 -2.073 -5.090 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.096 -3.563 -4.632 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.598 -4.497 -2.727 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.496 -3.430 -1.665 1.00 0.00 H new ATOM 724 N MET A 52 -4.362 -0.715 -3.237 1.00 0.00 N ATOM 725 CA MET A 52 -5.299 0.384 -2.875 1.00 0.00 C ATOM 726 C MET A 52 -5.579 1.210 -4.133 1.00 0.00 C ATOM 727 O MET A 52 -4.978 0.977 -5.163 1.00 0.00 O ATOM 728 CB MET A 52 -4.639 1.261 -1.807 1.00 0.00 C ATOM 729 CG MET A 52 -5.261 0.964 -0.442 1.00 0.00 C ATOM 730 SD MET A 52 -4.898 2.323 0.697 1.00 0.00 S ATOM 731 CE MET A 52 -5.107 1.390 2.232 1.00 0.00 C ATOM 0 H MET A 52 -3.390 -0.428 -3.355 1.00 0.00 H new ATOM 0 HA MET A 52 -6.235 -0.015 -2.483 1.00 0.00 H new ATOM 0 HB2 MET A 52 -3.566 1.071 -1.778 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.769 2.314 -2.056 1.00 0.00 H new ATOM 0 HG2 MET A 52 -6.339 0.837 -0.542 1.00 0.00 H new ATOM 0 HG3 MET A 52 -4.865 0.029 -0.046 1.00 0.00 H new ATOM 0 HE1 MET A 52 -4.927 2.046 3.084 1.00 0.00 H new ATOM 0 HE2 MET A 52 -6.123 0.998 2.284 1.00 0.00 H new ATOM 0 HE3 MET A 52 -4.398 0.563 2.254 1.00 0.00 H new ATOM 741 N PRO A 53 -6.476 2.154 -4.022 1.00 0.00 N ATOM 742 CA PRO A 53 -6.837 3.024 -5.152 1.00 0.00 C ATOM 743 C PRO A 53 -5.728 4.049 -5.393 1.00 0.00 C ATOM 744 O PRO A 53 -5.302 4.745 -4.493 1.00 0.00 O ATOM 745 CB PRO A 53 -8.128 3.701 -4.694 1.00 0.00 C ATOM 746 CG PRO A 53 -8.123 3.626 -3.153 1.00 0.00 C ATOM 747 CD PRO A 53 -7.207 2.449 -2.774 1.00 0.00 C ATOM 0 HA PRO A 53 -6.967 2.486 -6.091 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -8.168 4.736 -5.034 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -9.001 3.196 -5.107 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -7.757 4.557 -2.721 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.131 3.472 -2.769 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -6.526 2.716 -1.966 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -7.782 1.588 -2.435 1.00 0.00 H new ATOM 755 N ASP A 54 -5.254 4.134 -6.600 1.00 0.00 N ATOM 756 CA ASP A 54 -4.163 5.098 -6.915 1.00 0.00 C ATOM 757 C ASP A 54 -4.765 6.439 -7.331 1.00 0.00 C ATOM 758 O ASP A 54 -5.908 6.520 -7.736 1.00 0.00 O ATOM 759 CB ASP A 54 -3.313 4.547 -8.062 1.00 0.00 C ATOM 760 CG ASP A 54 -3.132 3.039 -7.883 1.00 0.00 C ATOM 761 OD1 ASP A 54 -3.353 2.562 -6.783 1.00 0.00 O ATOM 762 OD2 ASP A 54 -2.775 2.386 -8.851 1.00 0.00 O ATOM 0 H ASP A 54 -5.576 3.574 -7.389 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.540 5.239 -6.031 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.794 4.756 -9.018 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.342 5.041 -8.079 1.00 0.00 H new ATOM 767 N ASP A 55 -4.000 7.491 -7.241 1.00 0.00 N ATOM 768 CA ASP A 55 -4.520 8.828 -7.639 1.00 0.00 C ATOM 769 C ASP A 55 -4.076 9.129 -9.069 1.00 0.00 C ATOM 770 O ASP A 55 -2.903 9.089 -9.385 1.00 0.00 O ATOM 771 CB ASP A 55 -3.962 9.894 -6.694 1.00 0.00 C ATOM 772 CG ASP A 55 -4.869 10.011 -5.468 1.00 0.00 C ATOM 773 OD1 ASP A 55 -5.818 9.249 -5.385 1.00 0.00 O ATOM 774 OD2 ASP A 55 -4.601 10.860 -4.635 1.00 0.00 O ATOM 0 H ASP A 55 -3.036 7.482 -6.908 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.609 8.833 -7.583 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.950 9.630 -6.387 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.900 10.854 -7.207 1.00 0.00 H new ATOM 779 N ARG A 56 -5.000 9.423 -9.943 1.00 0.00 N ATOM 780 CA ARG A 56 -4.615 9.714 -11.350 1.00 0.00 C ATOM 781 C ARG A 56 -5.127 11.100 -11.757 1.00 0.00 C ATOM 782 O ARG A 56 -6.116 11.584 -11.244 1.00 0.00 O ATOM 783 CB ARG A 56 -5.219 8.654 -12.272 1.00 0.00 C ATOM 784 CG ARG A 56 -4.680 7.275 -11.884 1.00 0.00 C ATOM 785 CD ARG A 56 -5.111 6.244 -12.928 1.00 0.00 C ATOM 786 NE ARG A 56 -6.326 5.529 -12.447 1.00 0.00 N ATOM 787 CZ ARG A 56 -6.301 4.234 -12.292 1.00 0.00 C ATOM 788 NH1 ARG A 56 -6.390 3.453 -13.333 1.00 0.00 N ATOM 789 NH2 ARG A 56 -6.187 3.722 -11.099 1.00 0.00 N ATOM 0 H ARG A 56 -5.999 9.474 -9.744 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.528 9.697 -11.435 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.306 8.666 -12.195 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.970 8.875 -13.310 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.593 7.305 -11.815 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.054 6.990 -10.901 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.318 6.737 -13.878 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.305 5.533 -13.107 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.177 6.052 -12.239 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.479 3.855 -14.266 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.371 2.440 -13.214 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.117 4.334 -10.286 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.168 2.709 -10.978 1.00 0.00 H new ATOM 803 N CYS A 57 -4.456 11.739 -12.677 1.00 0.00 N ATOM 804 CA CYS A 57 -4.893 13.092 -13.126 1.00 0.00 C ATOM 805 C CYS A 57 -6.196 12.971 -13.916 1.00 0.00 C ATOM 806 O CYS A 57 -6.455 11.966 -14.548 1.00 0.00 O ATOM 807 CB CYS A 57 -3.812 13.706 -14.017 1.00 0.00 C ATOM 808 SG CYS A 57 -2.198 13.522 -13.224 1.00 0.00 S ATOM 0 H CYS A 57 -3.620 11.380 -13.139 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.054 13.729 -12.256 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -3.808 13.217 -14.991 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.025 14.761 -14.191 1.00 0.00 H new ATOM 813 N THR A 58 -7.018 13.987 -13.878 1.00 0.00 N ATOM 814 CA THR A 58 -8.313 13.933 -14.618 1.00 0.00 C ATOM 815 C THR A 58 -8.108 14.343 -16.078 1.00 0.00 C ATOM 816 O THR A 58 -9.049 14.427 -16.843 1.00 0.00 O ATOM 817 CB THR A 58 -9.315 14.885 -13.960 1.00 0.00 C ATOM 818 OG1 THR A 58 -8.966 16.228 -14.268 1.00 0.00 O ATOM 819 CG2 THR A 58 -9.296 14.683 -12.444 1.00 0.00 C ATOM 0 H THR A 58 -6.848 14.853 -13.366 1.00 0.00 H new ATOM 0 HA THR A 58 -8.695 12.913 -14.587 1.00 0.00 H new ATOM 0 HB THR A 58 -10.316 14.676 -14.338 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.608 16.837 -13.848 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.010 15.362 -11.978 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.568 13.654 -12.211 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.296 14.890 -12.062 1.00 0.00 H new ATOM 827 N GLY A 59 -6.893 14.600 -16.476 1.00 0.00 N ATOM 828 CA GLY A 59 -6.650 15.000 -17.891 1.00 0.00 C ATOM 829 C GLY A 59 -6.556 16.524 -17.985 1.00 0.00 C ATOM 830 O GLY A 59 -5.827 17.062 -18.794 1.00 0.00 O ATOM 0 H GLY A 59 -6.062 14.551 -15.887 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.728 14.546 -18.255 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.457 14.636 -18.526 1.00 0.00 H new ATOM 834 N GLN A 60 -7.291 17.225 -17.166 1.00 0.00 N ATOM 835 CA GLN A 60 -7.244 18.713 -17.214 1.00 0.00 C ATOM 836 C GLN A 60 -6.673 19.252 -15.901 1.00 0.00 C ATOM 837 O GLN A 60 -6.533 20.445 -15.720 1.00 0.00 O ATOM 838 CB GLN A 60 -8.657 19.262 -17.419 1.00 0.00 C ATOM 839 CG GLN A 60 -9.341 18.500 -18.554 1.00 0.00 C ATOM 840 CD GLN A 60 -10.037 19.494 -19.486 1.00 0.00 C ATOM 841 OE1 GLN A 60 -11.174 19.298 -19.863 1.00 0.00 O ATOM 842 NE2 GLN A 60 -9.394 20.561 -19.876 1.00 0.00 N ATOM 0 H GLN A 60 -7.921 16.832 -16.467 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.608 19.028 -18.041 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -9.234 19.162 -16.500 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -8.615 20.325 -17.654 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -8.607 17.917 -19.109 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -10.067 17.795 -18.148 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.439 20.725 -19.559 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.847 21.231 -20.498 1.00 0.00 H new ATOM 851 N SER A 61 -6.341 18.387 -14.981 1.00 0.00 N ATOM 852 CA SER A 61 -5.783 18.864 -13.684 1.00 0.00 C ATOM 853 C SER A 61 -4.252 18.850 -13.745 1.00 0.00 C ATOM 854 O SER A 61 -3.635 17.805 -13.814 1.00 0.00 O ATOM 855 CB SER A 61 -6.260 17.946 -12.556 1.00 0.00 C ATOM 856 OG SER A 61 -5.216 17.050 -12.201 1.00 0.00 O ATOM 0 H SER A 61 -6.432 17.375 -15.071 1.00 0.00 H new ATOM 0 HA SER A 61 -6.126 19.881 -13.494 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.555 18.539 -11.690 1.00 0.00 H new ATOM 0 HB3 SER A 61 -7.140 17.388 -12.875 1.00 0.00 H new ATOM 0 HG SER A 61 -4.611 17.488 -11.566 1.00 0.00 H new ATOM 862 N ALA A 62 -3.632 20.001 -13.708 1.00 0.00 N ATOM 863 CA ALA A 62 -2.145 20.045 -13.753 1.00 0.00 C ATOM 864 C ALA A 62 -1.598 19.424 -12.471 1.00 0.00 C ATOM 865 O ALA A 62 -0.729 18.575 -12.498 1.00 0.00 O ATOM 866 CB ALA A 62 -1.676 21.498 -13.862 1.00 0.00 C ATOM 0 H ALA A 62 -4.092 20.909 -13.649 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.783 19.490 -14.618 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.587 21.527 -13.895 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.079 21.943 -14.772 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.028 22.060 -12.997 1.00 0.00 H new ATOM 872 N ASP A 63 -2.114 19.832 -11.345 1.00 0.00 N ATOM 873 CA ASP A 63 -1.641 19.256 -10.058 1.00 0.00 C ATOM 874 C ASP A 63 -2.402 17.955 -9.800 1.00 0.00 C ATOM 875 O ASP A 63 -3.091 17.450 -10.665 1.00 0.00 O ATOM 876 CB ASP A 63 -1.908 20.244 -8.917 1.00 0.00 C ATOM 877 CG ASP A 63 -1.854 21.676 -9.452 1.00 0.00 C ATOM 878 OD1 ASP A 63 -2.850 22.121 -9.997 1.00 0.00 O ATOM 879 OD2 ASP A 63 -0.817 22.303 -9.306 1.00 0.00 O ATOM 0 H ASP A 63 -2.843 20.540 -11.262 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.570 19.060 -10.110 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.884 20.048 -8.474 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.168 20.112 -8.128 1.00 0.00 H new ATOM 884 N CYS A 64 -2.291 17.404 -8.624 1.00 0.00 N ATOM 885 CA CYS A 64 -3.018 16.138 -8.334 1.00 0.00 C ATOM 886 C CYS A 64 -3.779 16.271 -7.018 1.00 0.00 C ATOM 887 O CYS A 64 -3.197 16.229 -5.953 1.00 0.00 O ATOM 888 CB CYS A 64 -2.022 14.981 -8.257 1.00 0.00 C ATOM 889 SG CYS A 64 -2.885 13.474 -7.753 1.00 0.00 S ATOM 0 H CYS A 64 -1.732 17.773 -7.855 1.00 0.00 H new ATOM 0 HA CYS A 64 -3.732 15.937 -9.133 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -1.545 14.833 -9.226 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -1.231 15.215 -7.545 1.00 0.00 H new ATOM 894 N PRO A 65 -5.071 16.426 -7.143 1.00 0.00 N ATOM 895 CA PRO A 65 -5.967 16.571 -5.991 1.00 0.00 C ATOM 896 C PRO A 65 -6.240 15.209 -5.353 1.00 0.00 C ATOM 897 O PRO A 65 -5.497 14.265 -5.533 1.00 0.00 O ATOM 898 CB PRO A 65 -7.245 17.131 -6.608 1.00 0.00 C ATOM 899 CG PRO A 65 -7.225 16.750 -8.100 1.00 0.00 C ATOM 900 CD PRO A 65 -5.762 16.474 -8.453 1.00 0.00 C ATOM 0 HA PRO A 65 -5.555 17.204 -5.205 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -8.125 16.717 -6.116 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -7.291 18.213 -6.486 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -7.842 15.871 -8.285 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -7.627 17.557 -8.713 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -5.654 15.534 -8.994 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -5.352 17.258 -9.090 1.00 0.00 H new ATOM 908 N ARG A 66 -7.313 15.098 -4.619 1.00 0.00 N ATOM 909 CA ARG A 66 -7.649 13.798 -3.981 1.00 0.00 C ATOM 910 C ARG A 66 -8.714 13.090 -4.823 1.00 0.00 C ATOM 911 O ARG A 66 -9.342 13.685 -5.677 1.00 0.00 O ATOM 912 CB ARG A 66 -8.187 14.045 -2.569 1.00 0.00 C ATOM 913 CG ARG A 66 -7.643 12.974 -1.620 1.00 0.00 C ATOM 914 CD ARG A 66 -7.256 13.617 -0.286 1.00 0.00 C ATOM 915 NE ARG A 66 -8.402 14.413 0.239 1.00 0.00 N ATOM 916 CZ ARG A 66 -8.319 15.715 0.299 1.00 0.00 C ATOM 917 NH1 ARG A 66 -7.578 16.280 1.212 1.00 0.00 N ATOM 918 NH2 ARG A 66 -8.978 16.452 -0.553 1.00 0.00 N ATOM 0 H ARG A 66 -7.972 15.854 -4.434 1.00 0.00 H new ATOM 0 HA ARG A 66 -6.757 13.175 -3.919 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.891 15.036 -2.224 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.277 14.021 -2.574 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.395 12.202 -1.458 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.776 12.486 -2.065 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.976 12.847 0.433 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.386 14.259 -0.420 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.251 13.941 0.551 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.063 15.705 1.879 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.513 17.297 1.259 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.559 16.011 -1.267 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.913 17.469 -0.505 1.00 0.00 H new ATOM 932 N TYR A 67 -8.921 11.825 -4.591 1.00 0.00 N ATOM 933 CA TYR A 67 -9.941 11.074 -5.378 1.00 0.00 C ATOM 934 C TYR A 67 -11.344 11.552 -4.992 1.00 0.00 C ATOM 935 O TYR A 67 -12.148 11.890 -5.838 1.00 0.00 O ATOM 936 CB TYR A 67 -9.814 9.578 -5.073 1.00 0.00 C ATOM 937 CG TYR A 67 -10.004 8.783 -6.344 1.00 0.00 C ATOM 938 CD1 TYR A 67 -8.970 8.715 -7.287 1.00 0.00 C ATOM 939 CD2 TYR A 67 -11.211 8.113 -6.579 1.00 0.00 C ATOM 940 CE1 TYR A 67 -9.145 7.978 -8.464 1.00 0.00 C ATOM 941 CE2 TYR A 67 -11.383 7.375 -7.757 1.00 0.00 C ATOM 942 CZ TYR A 67 -10.351 7.308 -8.700 1.00 0.00 C ATOM 943 OH TYR A 67 -10.521 6.581 -9.860 1.00 0.00 O ATOM 0 H TYR A 67 -8.427 11.276 -3.888 1.00 0.00 H new ATOM 0 HA TYR A 67 -9.779 11.249 -6.442 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -8.835 9.366 -4.643 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -10.558 9.283 -4.333 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -8.039 9.231 -7.106 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -12.009 8.165 -5.853 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -8.348 7.926 -9.191 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -12.313 6.857 -7.938 1.00 0.00 H new ATOM 0 HH TYR A 67 -11.414 6.178 -9.866 1.00 0.00 H new ATOM 953 N HIS A 68 -11.647 11.580 -3.722 1.00 0.00 N ATOM 954 CA HIS A 68 -12.998 12.034 -3.287 1.00 0.00 C ATOM 955 C HIS A 68 -12.935 13.501 -2.860 1.00 0.00 C ATOM 956 O HIS A 68 -12.440 13.762 -1.776 1.00 0.00 O ATOM 957 CB HIS A 68 -13.465 11.181 -2.106 1.00 0.00 C ATOM 958 CG HIS A 68 -14.747 10.484 -2.471 1.00 0.00 C ATOM 959 ND1 HIS A 68 -15.882 10.561 -1.678 1.00 0.00 N ATOM 960 CD2 HIS A 68 -15.090 9.692 -3.540 1.00 0.00 C ATOM 961 CE1 HIS A 68 -16.844 9.836 -2.276 1.00 0.00 C ATOM 962 NE2 HIS A 68 -16.415 9.285 -3.415 1.00 0.00 N ATOM 963 OXT HIS A 68 -13.387 14.340 -3.622 1.00 0.00 O ATOM 0 H HIS A 68 -11.017 11.308 -2.967 1.00 0.00 H new ATOM 0 HA HIS A 68 -13.699 11.928 -4.115 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -12.701 10.448 -1.847 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -13.616 11.808 -1.227 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -14.432 9.426 -4.354 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -17.843 9.714 -1.883 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -16.945 8.693 -4.055 1.00 0.00 H new TER 971 HIS A 68