USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 484 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 LYS N :NH3+ 143:sc= -0.0697 (180deg=-0.84) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot -110:sc=0.000306 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.859 K(o=-0.86,f=-3.4!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 ASN : amide:sc= -0.0915 K(o=-0.091,f=-0.84) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -1.02 X(o=-1,f=-1.1) USER MOD Single : A 28 LYS NZ :NH3+ 175:sc= 1.11 (180deg=0.972) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 176:sc= -0.288 USER MOD Single : A 36 TYR OH : rot 135:sc= -0.415! USER MOD Single : A 41 THR OG1 : rot -53:sc= 0.191 USER MOD Single : A 43 SER OG : rot -40:sc= -1.25! USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.0537 K(o=-0.054,f=-1.2) USER MOD Single : A 52 ASN : amide:sc= -1.14! C(o=-1.1!,f=-2!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= -0.728 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -2.560 14.694 -3.176 1.00 0.00 N ATOM 2 CA LYS A 1 -3.223 13.560 -3.884 1.00 0.00 C ATOM 3 C LYS A 1 -2.187 12.732 -4.650 1.00 0.00 C ATOM 4 O LYS A 1 -1.797 13.065 -5.751 1.00 0.00 O ATOM 5 CB LYS A 1 -4.223 14.211 -4.845 1.00 0.00 C ATOM 6 CG LYS A 1 -3.483 15.087 -5.860 1.00 0.00 C ATOM 7 CD LYS A 1 -3.985 16.528 -5.746 1.00 0.00 C ATOM 8 CE LYS A 1 -2.843 17.494 -6.070 1.00 0.00 C ATOM 9 NZ LYS A 1 -3.443 18.503 -6.987 1.00 0.00 N ATOM 0 H1 LYS A 1 -3.177 15.530 -3.206 1.00 0.00 H new ATOM 0 H2 LYS A 1 -2.383 14.429 -2.186 1.00 0.00 H new ATOM 0 H3 LYS A 1 -1.657 14.914 -3.642 1.00 0.00 H new ATOM 0 HA LYS A 1 -3.718 12.878 -3.193 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -4.794 13.441 -5.365 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -4.938 14.814 -4.285 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -2.409 15.048 -5.676 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -3.647 14.711 -6.870 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -4.817 16.690 -6.431 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -4.359 16.715 -4.740 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -2.454 17.963 -5.166 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -2.009 16.976 -6.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -2.721 19.202 -7.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -3.799 18.028 -7.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -4.229 18.985 -6.506 1.00 0.00 H new ATOM 25 N ILE A 2 -1.743 11.650 -4.070 1.00 0.00 N ATOM 26 CA ILE A 2 -0.735 10.792 -4.753 1.00 0.00 C ATOM 27 C ILE A 2 -1.292 9.382 -4.948 1.00 0.00 C ATOM 28 O ILE A 2 -2.230 8.978 -4.290 1.00 0.00 O ATOM 29 CB ILE A 2 0.472 10.766 -3.814 1.00 0.00 C ATOM 30 CG1 ILE A 2 1.662 10.122 -4.527 1.00 0.00 C ATOM 31 CG2 ILE A 2 0.136 9.955 -2.559 1.00 0.00 C ATOM 32 CD1 ILE A 2 2.846 10.034 -3.563 1.00 0.00 C ATOM 0 H ILE A 2 -2.036 11.323 -3.149 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.472 11.172 -5.740 1.00 0.00 H new ATOM 0 HB ILE A 2 0.724 11.787 -3.529 1.00 0.00 H new ATOM 0 HG12 ILE A 2 1.393 9.127 -4.881 1.00 0.00 H new ATOM 0 HG13 ILE A 2 1.936 10.709 -5.404 1.00 0.00 H new ATOM 0 HG21 ILE A 2 0.999 9.940 -1.894 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -0.710 10.413 -2.046 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -0.121 8.935 -2.843 1.00 0.00 H new ATOM 0 HD11 ILE A 2 3.695 9.575 -4.070 1.00 0.00 H new ATOM 0 HD12 ILE A 2 3.120 11.035 -3.231 1.00 0.00 H new ATOM 0 HD13 ILE A 2 2.568 9.429 -2.700 1.00 0.00 H new ATOM 44 N ASP A 3 -0.723 8.632 -5.847 1.00 0.00 N ATOM 45 CA ASP A 3 -1.218 7.246 -6.082 1.00 0.00 C ATOM 46 C ASP A 3 -0.044 6.311 -6.371 1.00 0.00 C ATOM 47 O ASP A 3 0.925 6.691 -6.999 1.00 0.00 O ATOM 48 CB ASP A 3 -2.137 7.350 -7.301 1.00 0.00 C ATOM 49 CG ASP A 3 -1.362 7.943 -8.479 1.00 0.00 C ATOM 50 OD1 ASP A 3 -0.562 7.225 -9.058 1.00 0.00 O ATOM 51 OD2 ASP A 3 -1.584 9.103 -8.784 1.00 0.00 O ATOM 0 H ASP A 3 0.064 8.917 -6.430 1.00 0.00 H new ATOM 0 HA ASP A 3 -1.741 6.842 -5.215 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -2.521 6.365 -7.565 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -2.998 7.976 -7.067 1.00 0.00 H new ATOM 56 N GLY A 4 -0.119 5.089 -5.918 1.00 0.00 N ATOM 57 CA GLY A 4 1.000 4.136 -6.169 1.00 0.00 C ATOM 58 C GLY A 4 0.679 2.779 -5.539 1.00 0.00 C ATOM 59 O GLY A 4 -0.466 2.385 -5.436 1.00 0.00 O ATOM 0 H GLY A 4 -0.903 4.710 -5.387 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.158 4.021 -7.241 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.926 4.531 -5.751 1.00 0.00 H new ATOM 63 N TYR A 5 1.685 2.059 -5.118 1.00 0.00 N ATOM 64 CA TYR A 5 1.442 0.725 -4.496 1.00 0.00 C ATOM 65 C TYR A 5 2.030 0.684 -3.080 1.00 0.00 C ATOM 66 O TYR A 5 3.233 0.684 -2.908 1.00 0.00 O ATOM 67 CB TYR A 5 2.164 -0.272 -5.404 1.00 0.00 C ATOM 68 CG TYR A 5 1.729 -0.065 -6.836 1.00 0.00 C ATOM 69 CD1 TYR A 5 2.174 1.054 -7.548 1.00 0.00 C ATOM 70 CD2 TYR A 5 0.884 -0.997 -7.452 1.00 0.00 C ATOM 71 CE1 TYR A 5 1.773 1.244 -8.878 1.00 0.00 C ATOM 72 CE2 TYR A 5 0.483 -0.807 -8.780 1.00 0.00 C ATOM 73 CZ TYR A 5 0.928 0.313 -9.492 1.00 0.00 C ATOM 74 OH TYR A 5 0.534 0.499 -10.801 1.00 0.00 O ATOM 0 H TYR A 5 2.664 2.337 -5.178 1.00 0.00 H new ATOM 0 HA TYR A 5 0.379 0.500 -4.405 1.00 0.00 H new ATOM 0 HB2 TYR A 5 3.243 -0.141 -5.319 1.00 0.00 H new ATOM 0 HB3 TYR A 5 1.941 -1.292 -5.090 1.00 0.00 H new ATOM 0 HD1 TYR A 5 2.827 1.772 -7.073 1.00 0.00 H new ATOM 0 HD2 TYR A 5 0.542 -1.862 -6.903 1.00 0.00 H new ATOM 0 HE1 TYR A 5 2.116 2.108 -9.428 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.170 -1.525 -9.255 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.421 0.718 -10.827 1.00 0.00 H new ATOM 84 N PRO A 6 1.154 0.653 -2.114 1.00 0.00 N ATOM 85 CA PRO A 6 1.582 0.612 -0.692 1.00 0.00 C ATOM 86 C PRO A 6 2.121 -0.775 -0.329 1.00 0.00 C ATOM 87 O PRO A 6 1.481 -1.781 -0.562 1.00 0.00 O ATOM 88 CB PRO A 6 0.298 0.906 0.076 1.00 0.00 C ATOM 89 CG PRO A 6 -0.807 0.489 -0.840 1.00 0.00 C ATOM 90 CD PRO A 6 -0.304 0.652 -2.251 1.00 0.00 C ATOM 0 HA PRO A 6 2.383 1.317 -0.469 1.00 0.00 H new ATOM 0 HB2 PRO A 6 0.264 0.351 1.014 1.00 0.00 H new ATOM 0 HB3 PRO A 6 0.223 1.964 0.329 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -1.093 -0.546 -0.651 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -1.694 1.100 -0.675 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -0.643 -0.162 -2.891 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -0.663 1.579 -2.697 1.00 0.00 H new ATOM 98 N VAL A 7 3.290 -0.834 0.248 1.00 0.00 N ATOM 99 CA VAL A 7 3.865 -2.160 0.635 1.00 0.00 C ATOM 100 C VAL A 7 3.303 -2.604 1.987 1.00 0.00 C ATOM 101 O VAL A 7 2.453 -1.953 2.561 1.00 0.00 O ATOM 102 CB VAL A 7 5.377 -1.937 0.733 1.00 0.00 C ATOM 103 CG1 VAL A 7 5.952 -1.732 -0.670 1.00 0.00 C ATOM 104 CG2 VAL A 7 5.659 -0.698 1.586 1.00 0.00 C ATOM 0 H VAL A 7 3.872 -0.026 0.469 1.00 0.00 H new ATOM 0 HA VAL A 7 3.618 -2.938 -0.088 1.00 0.00 H new ATOM 0 HB VAL A 7 5.843 -2.807 1.195 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.028 -1.573 -0.602 1.00 0.00 H new ATOM 0 HG12 VAL A 7 5.753 -2.615 -1.277 1.00 0.00 H new ATOM 0 HG13 VAL A 7 5.485 -0.862 -1.131 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.735 -0.541 1.655 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.194 0.174 1.126 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.249 -0.843 2.585 1.00 0.00 H new ATOM 114 N ASP A 8 3.772 -3.707 2.503 1.00 0.00 N ATOM 115 CA ASP A 8 3.264 -4.187 3.819 1.00 0.00 C ATOM 116 C ASP A 8 3.638 -3.178 4.914 1.00 0.00 C ATOM 117 O ASP A 8 3.216 -2.039 4.882 1.00 0.00 O ATOM 118 CB ASP A 8 3.960 -5.533 4.038 1.00 0.00 C ATOM 119 CG ASP A 8 3.309 -6.262 5.215 1.00 0.00 C ATOM 120 OD1 ASP A 8 2.346 -6.975 4.987 1.00 0.00 O ATOM 121 OD2 ASP A 8 3.786 -6.096 6.325 1.00 0.00 O ATOM 0 H ASP A 8 4.484 -4.296 2.071 1.00 0.00 H new ATOM 0 HA ASP A 8 2.179 -4.292 3.847 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.889 -6.141 3.136 1.00 0.00 H new ATOM 0 HB3 ASP A 8 5.021 -5.378 4.235 1.00 0.00 H new ATOM 126 N TYR A 9 4.428 -3.573 5.878 1.00 0.00 N ATOM 127 CA TYR A 9 4.818 -2.617 6.952 1.00 0.00 C ATOM 128 C TYR A 9 6.340 -2.443 6.964 1.00 0.00 C ATOM 129 O TYR A 9 6.849 -1.340 6.942 1.00 0.00 O ATOM 130 CB TYR A 9 4.335 -3.260 8.251 1.00 0.00 C ATOM 131 CG TYR A 9 3.980 -2.181 9.247 1.00 0.00 C ATOM 132 CD1 TYR A 9 4.989 -1.392 9.814 1.00 0.00 C ATOM 133 CD2 TYR A 9 2.642 -1.968 9.602 1.00 0.00 C ATOM 134 CE1 TYR A 9 4.660 -0.391 10.738 1.00 0.00 C ATOM 135 CE2 TYR A 9 2.314 -0.967 10.525 1.00 0.00 C ATOM 136 CZ TYR A 9 3.322 -0.179 11.093 1.00 0.00 C ATOM 137 OH TYR A 9 2.998 0.807 12.002 1.00 0.00 O ATOM 0 H TYR A 9 4.817 -4.512 5.967 1.00 0.00 H new ATOM 0 HA TYR A 9 4.385 -1.627 6.809 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.467 -3.890 8.056 1.00 0.00 H new ATOM 0 HB3 TYR A 9 5.112 -3.906 8.660 1.00 0.00 H new ATOM 0 HD1 TYR A 9 6.021 -1.555 9.539 1.00 0.00 H new ATOM 0 HD2 TYR A 9 1.864 -2.575 9.164 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.438 0.217 11.176 1.00 0.00 H new ATOM 0 HE2 TYR A 9 1.282 -0.803 10.799 1.00 0.00 H new ATOM 0 HH TYR A 9 2.027 0.822 12.136 1.00 0.00 H new ATOM 147 N TRP A 10 7.070 -3.525 6.989 1.00 0.00 N ATOM 148 CA TRP A 10 8.559 -3.423 6.993 1.00 0.00 C ATOM 149 C TRP A 10 9.107 -3.814 5.618 1.00 0.00 C ATOM 150 O TRP A 10 10.255 -4.182 5.477 1.00 0.00 O ATOM 151 CB TRP A 10 9.029 -4.416 8.061 1.00 0.00 C ATOM 152 CG TRP A 10 8.165 -4.297 9.275 1.00 0.00 C ATOM 153 CD1 TRP A 10 8.406 -3.477 10.323 1.00 0.00 C ATOM 154 CD2 TRP A 10 6.930 -5.005 9.585 1.00 0.00 C ATOM 155 NE1 TRP A 10 7.396 -3.634 11.255 1.00 0.00 N ATOM 156 CE2 TRP A 10 6.462 -4.566 10.845 1.00 0.00 C ATOM 157 CE3 TRP A 10 6.178 -5.976 8.899 1.00 0.00 C ATOM 158 CZ2 TRP A 10 5.289 -5.071 11.406 1.00 0.00 C ATOM 159 CZ3 TRP A 10 4.996 -6.487 9.462 1.00 0.00 C ATOM 160 CH2 TRP A 10 4.553 -6.036 10.712 1.00 0.00 C ATOM 0 H TRP A 10 6.700 -4.476 7.007 1.00 0.00 H new ATOM 0 HA TRP A 10 8.906 -2.412 7.205 1.00 0.00 H new ATOM 0 HB2 TRP A 10 8.986 -5.433 7.670 1.00 0.00 H new ATOM 0 HB3 TRP A 10 10.069 -4.219 8.322 1.00 0.00 H new ATOM 0 HD1 TRP A 10 9.249 -2.809 10.417 1.00 0.00 H new ATOM 0 HE1 TRP A 10 7.347 -3.124 12.137 1.00 0.00 H new ATOM 0 HE3 TRP A 10 6.511 -6.331 7.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 4.952 -4.719 12.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 4.426 -7.232 8.927 1.00 0.00 H new ATOM 0 HH2 TRP A 10 3.644 -6.433 11.139 1.00 0.00 H new ATOM 171 N ASN A 11 8.286 -3.742 4.604 1.00 0.00 N ATOM 172 CA ASN A 11 8.743 -4.113 3.234 1.00 0.00 C ATOM 173 C ASN A 11 9.218 -5.569 3.212 1.00 0.00 C ATOM 174 O ASN A 11 9.831 -6.016 2.263 1.00 0.00 O ATOM 175 CB ASN A 11 9.903 -3.165 2.931 1.00 0.00 C ATOM 176 CG ASN A 11 9.438 -1.717 3.093 1.00 0.00 C ATOM 177 OD1 ASN A 11 8.254 -1.447 3.112 1.00 0.00 O ATOM 178 ND2 ASN A 11 10.326 -0.769 3.213 1.00 0.00 N ATOM 0 H ASN A 11 7.314 -3.441 4.667 1.00 0.00 H new ATOM 0 HA ASN A 11 7.946 -4.028 2.496 1.00 0.00 H new ATOM 0 HB2 ASN A 11 10.736 -3.367 3.604 1.00 0.00 H new ATOM 0 HB3 ASN A 11 10.265 -3.330 1.916 1.00 0.00 H new ATOM 0 HD21 ASN A 11 10.026 0.200 3.323 1.00 0.00 H new ATOM 0 HD22 ASN A 11 11.320 -0.996 3.197 1.00 0.00 H new ATOM 185 N CYS A 12 8.936 -6.313 4.248 1.00 0.00 N ATOM 186 CA CYS A 12 9.368 -7.739 4.281 1.00 0.00 C ATOM 187 C CYS A 12 8.609 -8.534 3.222 1.00 0.00 C ATOM 188 O CYS A 12 9.186 -9.065 2.294 1.00 0.00 O ATOM 189 CB CYS A 12 9.002 -8.231 5.682 1.00 0.00 C ATOM 190 SG CYS A 12 10.333 -7.816 6.835 1.00 0.00 S ATOM 0 H CYS A 12 8.426 -5.995 5.072 1.00 0.00 H new ATOM 0 HA CYS A 12 10.432 -7.857 4.074 1.00 0.00 H new ATOM 0 HB2 CYS A 12 8.068 -7.772 6.008 1.00 0.00 H new ATOM 0 HB3 CYS A 12 8.840 -9.309 5.670 1.00 0.00 H new ATOM 195 N LYS A 13 7.318 -8.611 3.355 1.00 0.00 N ATOM 196 CA LYS A 13 6.506 -9.362 2.358 1.00 0.00 C ATOM 197 C LYS A 13 6.415 -8.565 1.055 1.00 0.00 C ATOM 198 O LYS A 13 6.980 -7.497 0.929 1.00 0.00 O ATOM 199 CB LYS A 13 5.125 -9.502 3.001 1.00 0.00 C ATOM 200 CG LYS A 13 5.220 -10.422 4.219 1.00 0.00 C ATOM 201 CD LYS A 13 5.332 -11.875 3.753 1.00 0.00 C ATOM 202 CE LYS A 13 4.739 -12.802 4.816 1.00 0.00 C ATOM 203 NZ LYS A 13 3.593 -13.475 4.142 1.00 0.00 N ATOM 0 H LYS A 13 6.786 -8.185 4.114 1.00 0.00 H new ATOM 0 HA LYS A 13 6.939 -10.331 2.111 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.750 -8.523 3.300 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.416 -9.908 2.280 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.087 -10.155 4.823 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.341 -10.298 4.851 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.806 -12.006 2.807 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.376 -12.131 3.575 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.475 -13.528 5.162 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.409 -12.241 5.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.134 -14.129 4.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.906 -12.760 3.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.939 -14.007 3.318 1.00 0.00 H new ATOM 217 N ARG A 14 5.707 -9.072 0.084 1.00 0.00 N ATOM 218 CA ARG A 14 5.584 -8.336 -1.206 1.00 0.00 C ATOM 219 C ARG A 14 4.929 -6.972 -0.972 1.00 0.00 C ATOM 220 O ARG A 14 4.675 -6.580 0.149 1.00 0.00 O ATOM 221 CB ARG A 14 4.694 -9.219 -2.083 1.00 0.00 C ATOM 222 CG ARG A 14 5.549 -9.899 -3.153 1.00 0.00 C ATOM 223 CD ARG A 14 5.212 -9.310 -4.525 1.00 0.00 C ATOM 224 NE ARG A 14 5.895 -10.200 -5.505 1.00 0.00 N ATOM 225 CZ ARG A 14 5.752 -9.993 -6.785 1.00 0.00 C ATOM 226 NH1 ARG A 14 6.389 -9.012 -7.363 1.00 0.00 N ATOM 227 NH2 ARG A 14 4.971 -10.767 -7.487 1.00 0.00 N ATOM 0 H ARG A 14 5.210 -9.961 0.127 1.00 0.00 H new ATOM 0 HA ARG A 14 6.552 -8.148 -1.671 1.00 0.00 H new ATOM 0 HB2 ARG A 14 4.192 -9.969 -1.472 1.00 0.00 H new ATOM 0 HB3 ARG A 14 3.915 -8.617 -2.552 1.00 0.00 H new ATOM 0 HG2 ARG A 14 6.607 -9.756 -2.934 1.00 0.00 H new ATOM 0 HG3 ARG A 14 5.366 -10.974 -3.152 1.00 0.00 H new ATOM 0 HD2 ARG A 14 4.135 -9.291 -4.693 1.00 0.00 H new ATOM 0 HD3 ARG A 14 5.566 -8.283 -4.611 1.00 0.00 H new ATOM 0 HE ARG A 14 6.475 -10.972 -5.175 1.00 0.00 H new ATOM 0 HH11 ARG A 14 6.999 -8.406 -6.814 1.00 0.00 H new ATOM 0 HH12 ARG A 14 6.277 -8.851 -8.364 1.00 0.00 H new ATOM 0 HH21 ARG A 14 4.473 -11.534 -7.035 1.00 0.00 H new ATOM 0 HH22 ARG A 14 4.859 -10.606 -8.488 1.00 0.00 H new ATOM 241 N ILE A 15 4.650 -6.246 -2.020 1.00 0.00 N ATOM 242 CA ILE A 15 4.009 -4.910 -1.850 1.00 0.00 C ATOM 243 C ILE A 15 2.487 -5.058 -1.788 1.00 0.00 C ATOM 244 O ILE A 15 1.753 -4.135 -2.086 1.00 0.00 O ATOM 245 CB ILE A 15 4.418 -4.111 -3.088 1.00 0.00 C ATOM 246 CG1 ILE A 15 5.925 -4.251 -3.312 1.00 0.00 C ATOM 247 CG2 ILE A 15 4.069 -2.635 -2.883 1.00 0.00 C ATOM 248 CD1 ILE A 15 6.335 -3.433 -4.538 1.00 0.00 C ATOM 0 H ILE A 15 4.837 -6.519 -2.985 1.00 0.00 H new ATOM 0 HA ILE A 15 4.319 -4.419 -0.928 1.00 0.00 H new ATOM 0 HB ILE A 15 3.884 -4.493 -3.958 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.468 -3.905 -2.432 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.186 -5.299 -3.457 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.361 -2.066 -3.766 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.995 -2.534 -2.725 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.602 -2.253 -2.012 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.409 -3.532 -4.699 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.801 -3.799 -5.415 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.088 -2.384 -4.375 1.00 0.00 H new ATOM 260 N CYS A 16 2.006 -6.211 -1.414 1.00 0.00 N ATOM 261 CA CYS A 16 0.531 -6.415 -1.344 1.00 0.00 C ATOM 262 C CYS A 16 0.194 -7.610 -0.445 1.00 0.00 C ATOM 263 O CYS A 16 1.045 -8.412 -0.114 1.00 0.00 O ATOM 264 CB CYS A 16 0.114 -6.698 -2.786 1.00 0.00 C ATOM 265 SG CYS A 16 -1.605 -7.263 -2.827 1.00 0.00 S ATOM 0 H CYS A 16 2.569 -7.020 -1.154 1.00 0.00 H new ATOM 0 HA CYS A 16 0.014 -5.553 -0.923 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.225 -5.797 -3.390 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.766 -7.456 -3.221 1.00 0.00 H new ATOM 270 N TRP A 17 -1.045 -7.735 -0.056 1.00 0.00 N ATOM 271 CA TRP A 17 -1.448 -8.878 0.813 1.00 0.00 C ATOM 272 C TRP A 17 -2.438 -9.775 0.065 1.00 0.00 C ATOM 273 O TRP A 17 -2.496 -9.776 -1.149 1.00 0.00 O ATOM 274 CB TRP A 17 -2.122 -8.237 2.025 1.00 0.00 C ATOM 275 CG TRP A 17 -1.360 -8.584 3.263 1.00 0.00 C ATOM 276 CD1 TRP A 17 -0.808 -9.791 3.523 1.00 0.00 C ATOM 277 CD2 TRP A 17 -1.060 -7.739 4.411 1.00 0.00 C ATOM 278 NE1 TRP A 17 -0.186 -9.740 4.758 1.00 0.00 N ATOM 279 CE2 TRP A 17 -0.314 -8.497 5.344 1.00 0.00 C ATOM 280 CE3 TRP A 17 -1.361 -6.402 4.731 1.00 0.00 C ATOM 281 CZ2 TRP A 17 0.120 -7.949 6.552 1.00 0.00 C ATOM 282 CZ3 TRP A 17 -0.925 -5.847 5.946 1.00 0.00 C ATOM 283 CH2 TRP A 17 -0.186 -6.619 6.854 1.00 0.00 C ATOM 0 H TRP A 17 -1.798 -7.093 -0.303 1.00 0.00 H new ATOM 0 HA TRP A 17 -0.601 -9.500 1.101 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -2.162 -7.155 1.902 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -3.151 -8.587 2.109 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -0.846 -10.653 2.873 1.00 0.00 H new ATOM 0 HE1 TRP A 17 0.307 -10.525 5.183 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -1.930 -5.799 4.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 0.688 -8.548 7.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -1.160 -4.820 6.182 1.00 0.00 H new ATOM 0 HH2 TRP A 17 0.146 -6.186 7.786 1.00 0.00 H new ATOM 294 N TYR A 18 -3.224 -10.532 0.780 1.00 0.00 N ATOM 295 CA TYR A 18 -4.216 -11.419 0.109 1.00 0.00 C ATOM 296 C TYR A 18 -5.635 -11.044 0.548 1.00 0.00 C ATOM 297 O TYR A 18 -6.608 -11.592 0.071 1.00 0.00 O ATOM 298 CB TYR A 18 -3.865 -12.833 0.574 1.00 0.00 C ATOM 299 CG TYR A 18 -3.322 -13.628 -0.590 1.00 0.00 C ATOM 300 CD1 TYR A 18 -2.108 -13.260 -1.184 1.00 0.00 C ATOM 301 CD2 TYR A 18 -4.028 -14.735 -1.073 1.00 0.00 C ATOM 302 CE1 TYR A 18 -1.603 -13.999 -2.260 1.00 0.00 C ATOM 303 CE2 TYR A 18 -3.522 -15.475 -2.150 1.00 0.00 C ATOM 304 CZ TYR A 18 -2.310 -15.108 -2.742 1.00 0.00 C ATOM 305 OH TYR A 18 -1.810 -15.837 -3.801 1.00 0.00 O ATOM 0 H TYR A 18 -3.222 -10.575 1.799 1.00 0.00 H new ATOM 0 HA TYR A 18 -4.184 -11.331 -0.977 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.127 -12.791 1.375 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.749 -13.323 0.981 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.562 -12.406 -0.812 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.964 -15.020 -0.615 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -0.668 -13.714 -2.719 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.068 -16.329 -2.523 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.422 -16.573 -4.009 1.00 0.00 H new ATOM 315 N ASN A 19 -5.757 -10.111 1.453 1.00 0.00 N ATOM 316 CA ASN A 19 -7.112 -9.698 1.921 1.00 0.00 C ATOM 317 C ASN A 19 -7.530 -8.394 1.236 1.00 0.00 C ATOM 318 O ASN A 19 -6.767 -7.450 1.157 1.00 0.00 O ATOM 319 CB ASN A 19 -6.965 -9.495 3.429 1.00 0.00 C ATOM 320 CG ASN A 19 -7.678 -10.629 4.167 1.00 0.00 C ATOM 321 OD1 ASN A 19 -7.046 -11.537 4.668 1.00 0.00 O ATOM 322 ND2 ASN A 19 -8.980 -10.615 4.257 1.00 0.00 N ATOM 0 H ASN A 19 -4.978 -9.617 1.888 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.877 -10.438 1.685 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.910 -9.475 3.703 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.389 -8.534 3.721 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.465 -11.366 4.748 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.512 -9.853 3.837 1.00 0.00 H new ATOM 329 N ASN A 20 -8.734 -8.334 0.735 1.00 0.00 N ATOM 330 CA ASN A 20 -9.199 -7.093 0.049 1.00 0.00 C ATOM 331 C ASN A 20 -9.168 -5.901 1.010 1.00 0.00 C ATOM 332 O ASN A 20 -8.702 -4.831 0.669 1.00 0.00 O ATOM 333 CB ASN A 20 -10.634 -7.396 -0.382 1.00 0.00 C ATOM 334 CG ASN A 20 -10.733 -7.329 -1.907 1.00 0.00 C ATOM 335 OD1 ASN A 20 -9.800 -7.676 -2.603 1.00 0.00 O ATOM 336 ND2 ASN A 20 -11.832 -6.894 -2.459 1.00 0.00 N ATOM 0 H ASN A 20 -9.417 -9.091 0.771 1.00 0.00 H new ATOM 0 HA ASN A 20 -8.562 -6.829 -0.796 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -10.930 -8.385 -0.031 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -11.320 -6.679 0.070 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -11.908 -6.845 -3.475 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -12.616 -6.603 -1.875 1.00 0.00 H new ATOM 343 N LYS A 21 -9.662 -6.072 2.205 1.00 0.00 N ATOM 344 CA LYS A 21 -9.661 -4.940 3.178 1.00 0.00 C ATOM 345 C LYS A 21 -8.264 -4.751 3.774 1.00 0.00 C ATOM 346 O LYS A 21 -7.978 -3.752 4.403 1.00 0.00 O ATOM 347 CB LYS A 21 -10.653 -5.350 4.266 1.00 0.00 C ATOM 348 CG LYS A 21 -12.066 -4.938 3.854 1.00 0.00 C ATOM 349 CD LYS A 21 -12.945 -6.184 3.722 1.00 0.00 C ATOM 350 CE LYS A 21 -14.416 -5.790 3.869 1.00 0.00 C ATOM 351 NZ LYS A 21 -14.831 -6.336 5.192 1.00 0.00 N ATOM 0 H LYS A 21 -10.065 -6.943 2.550 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.936 -3.996 2.708 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.609 -6.428 4.425 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.387 -4.878 5.212 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.488 -4.259 4.595 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.037 -4.399 2.907 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.780 -6.658 2.754 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.675 -6.914 4.485 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.540 -4.708 3.832 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.019 -6.208 3.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.830 -6.106 5.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.708 -7.369 5.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.244 -5.915 5.941 1.00 0.00 H new ATOM 365 N TYR A 22 -7.392 -5.703 3.585 1.00 0.00 N ATOM 366 CA TYR A 22 -6.018 -5.573 4.148 1.00 0.00 C ATOM 367 C TYR A 22 -5.264 -4.433 3.457 1.00 0.00 C ATOM 368 O TYR A 22 -4.212 -4.017 3.898 1.00 0.00 O ATOM 369 CB TYR A 22 -5.345 -6.915 3.868 1.00 0.00 C ATOM 370 CG TYR A 22 -5.322 -7.738 5.133 1.00 0.00 C ATOM 371 CD1 TYR A 22 -6.389 -7.661 6.038 1.00 0.00 C ATOM 372 CD2 TYR A 22 -4.234 -8.578 5.404 1.00 0.00 C ATOM 373 CE1 TYR A 22 -6.368 -8.423 7.212 1.00 0.00 C ATOM 374 CE2 TYR A 22 -4.213 -9.339 6.579 1.00 0.00 C ATOM 375 CZ TYR A 22 -5.280 -9.262 7.483 1.00 0.00 C ATOM 376 OH TYR A 22 -5.259 -10.013 8.641 1.00 0.00 O ATOM 0 H TYR A 22 -7.571 -6.563 3.067 1.00 0.00 H new ATOM 0 HA TYR A 22 -6.030 -5.340 5.213 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -5.883 -7.448 3.084 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -4.329 -6.756 3.506 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -7.228 -7.014 5.830 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.412 -8.639 4.707 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -7.191 -8.364 7.909 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -3.374 -9.986 6.788 1.00 0.00 H new ATOM 0 HH TYR A 22 -4.434 -10.541 8.674 1.00 0.00 H new ATOM 386 N CYS A 23 -5.795 -3.923 2.379 1.00 0.00 N ATOM 387 CA CYS A 23 -5.104 -2.809 1.669 1.00 0.00 C ATOM 388 C CYS A 23 -5.994 -1.563 1.654 1.00 0.00 C ATOM 389 O CYS A 23 -5.514 -0.449 1.682 1.00 0.00 O ATOM 390 CB CYS A 23 -4.869 -3.324 0.249 1.00 0.00 C ATOM 391 SG CYS A 23 -3.088 -3.463 -0.056 1.00 0.00 S ATOM 0 H CYS A 23 -6.674 -4.228 1.961 1.00 0.00 H new ATOM 0 HA CYS A 23 -4.170 -2.525 2.154 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.348 -4.294 0.119 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -5.321 -2.646 -0.475 1.00 0.00 H new ATOM 396 N ASN A 24 -7.285 -1.742 1.618 1.00 0.00 N ATOM 397 CA ASN A 24 -8.200 -0.563 1.614 1.00 0.00 C ATOM 398 C ASN A 24 -8.401 -0.069 3.047 1.00 0.00 C ATOM 399 O ASN A 24 -8.263 1.100 3.332 1.00 0.00 O ATOM 400 CB ASN A 24 -9.516 -1.077 1.029 1.00 0.00 C ATOM 401 CG ASN A 24 -10.184 0.038 0.225 1.00 0.00 C ATOM 402 OD1 ASN A 24 -10.598 1.038 0.778 1.00 0.00 O ATOM 403 ND2 ASN A 24 -10.306 -0.089 -1.068 1.00 0.00 N ATOM 0 H ASN A 24 -7.747 -2.651 1.591 1.00 0.00 H new ATOM 0 HA ASN A 24 -7.806 0.272 1.035 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -9.330 -1.940 0.390 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -10.177 -1.410 1.829 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -10.748 0.651 -1.614 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -9.959 -0.928 -1.533 1.00 0.00 H new ATOM 410 N ASP A 25 -8.712 -0.951 3.957 1.00 0.00 N ATOM 411 CA ASP A 25 -8.899 -0.513 5.368 1.00 0.00 C ATOM 412 C ASP A 25 -7.643 0.228 5.832 1.00 0.00 C ATOM 413 O ASP A 25 -7.691 1.079 6.698 1.00 0.00 O ATOM 414 CB ASP A 25 -9.095 -1.803 6.166 1.00 0.00 C ATOM 415 CG ASP A 25 -9.432 -1.458 7.618 1.00 0.00 C ATOM 416 OD1 ASP A 25 -8.542 -1.006 8.320 1.00 0.00 O ATOM 417 OD2 ASP A 25 -10.573 -1.652 8.002 1.00 0.00 O ATOM 0 H ASP A 25 -8.844 -1.948 3.786 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.745 0.163 5.495 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.896 -2.397 5.727 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.190 -2.409 6.126 1.00 0.00 H new ATOM 422 N LEU A 26 -6.521 -0.091 5.247 1.00 0.00 N ATOM 423 CA LEU A 26 -5.249 0.582 5.626 1.00 0.00 C ATOM 424 C LEU A 26 -5.037 1.815 4.736 1.00 0.00 C ATOM 425 O LEU A 26 -4.715 2.889 5.206 1.00 0.00 O ATOM 426 CB LEU A 26 -4.171 -0.495 5.390 1.00 0.00 C ATOM 427 CG LEU A 26 -2.972 0.081 4.631 1.00 0.00 C ATOM 428 CD1 LEU A 26 -2.341 1.208 5.451 1.00 0.00 C ATOM 429 CD2 LEU A 26 -1.936 -1.021 4.396 1.00 0.00 C ATOM 0 H LEU A 26 -6.432 -0.796 4.516 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.231 0.944 6.654 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.840 -0.898 6.347 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.598 -1.324 4.826 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.307 0.474 3.671 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.488 1.618 4.910 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.078 1.994 5.616 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.008 0.816 6.412 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.083 -0.610 3.856 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.601 -1.416 5.355 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.384 -1.823 3.810 1.00 0.00 H new ATOM 441 N CYS A 27 -5.216 1.661 3.454 1.00 0.00 N ATOM 442 CA CYS A 27 -5.026 2.809 2.527 1.00 0.00 C ATOM 443 C CYS A 27 -5.990 3.940 2.885 1.00 0.00 C ATOM 444 O CYS A 27 -5.662 5.104 2.771 1.00 0.00 O ATOM 445 CB CYS A 27 -5.333 2.238 1.142 1.00 0.00 C ATOM 446 SG CYS A 27 -3.839 1.449 0.491 1.00 0.00 S ATOM 0 H CYS A 27 -5.487 0.785 3.007 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.023 3.233 2.578 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -6.146 1.514 1.204 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.663 3.031 0.472 1.00 0.00 H new ATOM 451 N LYS A 28 -7.170 3.612 3.330 1.00 0.00 N ATOM 452 CA LYS A 28 -8.142 4.675 3.707 1.00 0.00 C ATOM 453 C LYS A 28 -7.563 5.507 4.849 1.00 0.00 C ATOM 454 O LYS A 28 -7.786 6.697 4.942 1.00 0.00 O ATOM 455 CB LYS A 28 -9.403 3.935 4.156 1.00 0.00 C ATOM 456 CG LYS A 28 -10.025 3.209 2.962 1.00 0.00 C ATOM 457 CD LYS A 28 -10.827 4.202 2.118 1.00 0.00 C ATOM 458 CE LYS A 28 -12.316 3.853 2.196 1.00 0.00 C ATOM 459 NZ LYS A 28 -12.858 4.142 0.835 1.00 0.00 N ATOM 0 H LYS A 28 -7.503 2.655 3.449 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.359 5.356 2.884 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.157 3.220 4.941 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.119 4.640 4.579 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.244 2.749 2.356 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.674 2.405 3.310 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.661 5.218 2.477 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.489 4.171 1.082 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.462 2.806 2.464 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.821 4.450 2.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.854 3.847 0.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.790 5.162 0.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.308 3.619 0.124 1.00 0.00 H new ATOM 473 N GLY A 29 -6.795 4.891 5.706 1.00 0.00 N ATOM 474 CA GLY A 29 -6.175 5.653 6.821 1.00 0.00 C ATOM 475 C GLY A 29 -5.249 6.690 6.199 1.00 0.00 C ATOM 476 O GLY A 29 -5.057 7.773 6.717 1.00 0.00 O ATOM 0 H GLY A 29 -6.572 3.896 5.681 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.940 6.136 7.429 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.618 4.986 7.480 1.00 0.00 H new ATOM 480 N LEU A 30 -4.692 6.362 5.065 1.00 0.00 N ATOM 481 CA LEU A 30 -3.793 7.316 4.362 1.00 0.00 C ATOM 482 C LEU A 30 -4.622 8.187 3.416 1.00 0.00 C ATOM 483 O LEU A 30 -4.112 8.769 2.482 1.00 0.00 O ATOM 484 CB LEU A 30 -2.818 6.438 3.573 1.00 0.00 C ATOM 485 CG LEU A 30 -1.939 5.649 4.545 1.00 0.00 C ATOM 486 CD1 LEU A 30 -1.503 4.338 3.888 1.00 0.00 C ATOM 487 CD2 LEU A 30 -0.703 6.479 4.899 1.00 0.00 C ATOM 0 H LEU A 30 -4.823 5.467 4.594 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.267 7.983 5.045 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.369 5.754 2.927 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.197 7.057 2.925 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.503 5.430 5.452 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.877 3.775 4.580 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.384 3.748 3.634 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.938 4.556 2.982 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.075 5.919 5.592 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.139 6.696 3.992 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.014 7.414 5.366 1.00 0.00 H new ATOM 499 N LYS A 31 -5.903 8.269 3.658 1.00 0.00 N ATOM 500 CA LYS A 31 -6.792 9.093 2.787 1.00 0.00 C ATOM 501 C LYS A 31 -6.886 8.488 1.383 1.00 0.00 C ATOM 502 O LYS A 31 -7.310 9.139 0.451 1.00 0.00 O ATOM 503 CB LYS A 31 -6.137 10.477 2.731 1.00 0.00 C ATOM 504 CG LYS A 31 -7.136 11.494 2.177 1.00 0.00 C ATOM 505 CD LYS A 31 -7.976 12.066 3.322 1.00 0.00 C ATOM 506 CE LYS A 31 -9.411 12.285 2.840 1.00 0.00 C ATOM 507 NZ LYS A 31 -9.494 13.739 2.528 1.00 0.00 N ATOM 0 H LYS A 31 -6.376 7.796 4.428 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.809 9.139 3.178 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.811 10.777 3.727 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.248 10.445 2.101 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.606 12.297 1.665 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.783 11.019 1.440 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.966 11.383 4.171 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.549 13.008 3.666 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.629 11.679 1.960 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.132 12.004 3.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.451 13.968 2.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.289 14.290 3.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.801 13.976 1.790 1.00 0.00 H new ATOM 521 N ALA A 32 -6.504 7.251 1.220 1.00 0.00 N ATOM 522 CA ALA A 32 -6.582 6.629 -0.131 1.00 0.00 C ATOM 523 C ALA A 32 -7.939 5.943 -0.320 1.00 0.00 C ATOM 524 O ALA A 32 -8.073 4.750 -0.135 1.00 0.00 O ATOM 525 CB ALA A 32 -5.451 5.601 -0.159 1.00 0.00 C ATOM 0 H ALA A 32 -6.143 6.648 1.959 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.484 7.363 -0.931 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.441 5.097 -1.126 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.497 6.105 -0.003 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.607 4.867 0.631 1.00 0.00 H new ATOM 531 N ASP A 33 -8.946 6.690 -0.684 1.00 0.00 N ATOM 532 CA ASP A 33 -10.293 6.080 -0.881 1.00 0.00 C ATOM 533 C ASP A 33 -10.169 4.756 -1.639 1.00 0.00 C ATOM 534 O ASP A 33 -10.351 3.691 -1.082 1.00 0.00 O ATOM 535 CB ASP A 33 -11.078 7.104 -1.701 1.00 0.00 C ATOM 536 CG ASP A 33 -12.548 6.685 -1.766 1.00 0.00 C ATOM 537 OD1 ASP A 33 -13.055 6.218 -0.759 1.00 0.00 O ATOM 538 OD2 ASP A 33 -13.143 6.840 -2.819 1.00 0.00 O ATOM 0 H ASP A 33 -8.895 7.695 -0.853 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.787 5.855 0.064 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.990 8.092 -1.249 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.664 7.175 -2.707 1.00 0.00 H new ATOM 543 N SER A 34 -9.859 4.814 -2.902 1.00 0.00 N ATOM 544 CA SER A 34 -9.721 3.558 -3.693 1.00 0.00 C ATOM 545 C SER A 34 -8.391 2.879 -3.366 1.00 0.00 C ATOM 546 O SER A 34 -7.398 3.089 -4.033 1.00 0.00 O ATOM 547 CB SER A 34 -9.752 3.999 -5.157 1.00 0.00 C ATOM 548 OG SER A 34 -9.515 5.399 -5.232 1.00 0.00 O ATOM 0 H SER A 34 -9.695 5.676 -3.423 1.00 0.00 H new ATOM 0 HA SER A 34 -10.511 2.841 -3.471 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.996 3.460 -5.727 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.718 3.758 -5.601 1.00 0.00 H new ATOM 0 HG SER A 34 -9.469 5.673 -6.172 1.00 0.00 H new ATOM 554 N GLY A 35 -8.360 2.068 -2.343 1.00 0.00 N ATOM 555 CA GLY A 35 -7.089 1.386 -1.979 1.00 0.00 C ATOM 556 C GLY A 35 -7.308 -0.125 -1.913 1.00 0.00 C ATOM 557 O GLY A 35 -7.587 -0.677 -0.870 1.00 0.00 O ATOM 0 H GLY A 35 -9.158 1.850 -1.746 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.318 1.618 -2.714 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.732 1.753 -1.016 1.00 0.00 H new ATOM 561 N TYR A 36 -7.167 -0.806 -3.015 1.00 0.00 N ATOM 562 CA TYR A 36 -7.352 -2.284 -2.994 1.00 0.00 C ATOM 563 C TYR A 36 -6.170 -2.959 -3.688 1.00 0.00 C ATOM 564 O TYR A 36 -5.509 -2.371 -4.520 1.00 0.00 O ATOM 565 CB TYR A 36 -8.667 -2.550 -3.732 1.00 0.00 C ATOM 566 CG TYR A 36 -8.479 -2.383 -5.220 1.00 0.00 C ATOM 567 CD1 TYR A 36 -8.617 -1.119 -5.805 1.00 0.00 C ATOM 568 CD2 TYR A 36 -8.188 -3.497 -6.018 1.00 0.00 C ATOM 569 CE1 TYR A 36 -8.460 -0.968 -7.188 1.00 0.00 C ATOM 570 CE2 TYR A 36 -8.034 -3.345 -7.401 1.00 0.00 C ATOM 571 CZ TYR A 36 -8.170 -2.081 -7.986 1.00 0.00 C ATOM 572 OH TYR A 36 -8.024 -1.933 -9.350 1.00 0.00 O ATOM 0 H TYR A 36 -6.933 -0.407 -3.924 1.00 0.00 H new ATOM 0 HA TYR A 36 -7.394 -2.685 -1.981 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -9.016 -3.560 -3.514 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -9.436 -1.864 -3.377 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -8.844 -0.261 -5.190 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -8.083 -4.472 -5.567 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.563 0.008 -7.639 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -7.810 -4.204 -8.017 1.00 0.00 H new ATOM 0 HH TYR A 36 -7.230 -2.424 -9.649 1.00 0.00 H new ATOM 582 N CYS A 37 -5.880 -4.179 -3.335 1.00 0.00 N ATOM 583 CA CYS A 37 -4.720 -4.876 -3.957 1.00 0.00 C ATOM 584 C CYS A 37 -5.097 -5.500 -5.299 1.00 0.00 C ATOM 585 O CYS A 37 -6.241 -5.822 -5.551 1.00 0.00 O ATOM 586 CB CYS A 37 -4.333 -5.964 -2.956 1.00 0.00 C ATOM 587 SG CYS A 37 -2.675 -5.631 -2.309 1.00 0.00 S ATOM 0 H CYS A 37 -6.395 -4.724 -2.643 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.902 -4.185 -4.162 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.054 -5.994 -2.139 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.357 -6.941 -3.438 1.00 0.00 H new ATOM 592 N TRP A 38 -4.130 -5.691 -6.157 1.00 0.00 N ATOM 593 CA TRP A 38 -4.415 -6.315 -7.477 1.00 0.00 C ATOM 594 C TRP A 38 -4.525 -7.831 -7.287 1.00 0.00 C ATOM 595 O TRP A 38 -3.787 -8.421 -6.522 1.00 0.00 O ATOM 596 CB TRP A 38 -3.213 -5.960 -8.352 1.00 0.00 C ATOM 597 CG TRP A 38 -3.681 -5.624 -9.733 1.00 0.00 C ATOM 598 CD1 TRP A 38 -3.467 -6.379 -10.835 1.00 0.00 C ATOM 599 CD2 TRP A 38 -4.431 -4.457 -10.177 1.00 0.00 C ATOM 600 NE1 TRP A 38 -4.038 -5.749 -11.926 1.00 0.00 N ATOM 601 CE2 TRP A 38 -4.644 -4.561 -11.572 1.00 0.00 C ATOM 602 CE3 TRP A 38 -4.941 -3.333 -9.510 1.00 0.00 C ATOM 603 CZ2 TRP A 38 -5.338 -3.580 -12.280 1.00 0.00 C ATOM 604 CZ3 TRP A 38 -5.640 -2.342 -10.220 1.00 0.00 C ATOM 605 CH2 TRP A 38 -5.838 -2.465 -11.602 1.00 0.00 C ATOM 0 H TRP A 38 -3.154 -5.440 -5.998 1.00 0.00 H new ATOM 0 HA TRP A 38 -5.345 -5.968 -7.927 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -2.675 -5.114 -7.923 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -2.516 -6.797 -8.387 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -2.937 -7.320 -10.859 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -4.014 -6.118 -12.877 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -4.796 -3.229 -8.445 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -5.488 -3.681 -13.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -6.027 -1.480 -9.697 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -6.376 -1.700 -12.142 1.00 0.00 H new ATOM 616 N GLY A 39 -5.447 -8.468 -7.951 1.00 0.00 N ATOM 617 CA GLY A 39 -5.603 -9.940 -7.770 1.00 0.00 C ATOM 618 C GLY A 39 -4.582 -10.704 -8.615 1.00 0.00 C ATOM 619 O GLY A 39 -4.281 -11.850 -8.345 1.00 0.00 O ATOM 0 H GLY A 39 -6.097 -8.037 -8.608 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.476 -10.197 -6.718 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.612 -10.240 -8.052 1.00 0.00 H new ATOM 623 N TRP A 40 -4.047 -10.095 -9.633 1.00 0.00 N ATOM 624 CA TRP A 40 -3.051 -10.814 -10.477 1.00 0.00 C ATOM 625 C TRP A 40 -1.686 -10.808 -9.788 1.00 0.00 C ATOM 626 O TRP A 40 -1.266 -11.790 -9.208 1.00 0.00 O ATOM 627 CB TRP A 40 -2.996 -10.028 -11.788 1.00 0.00 C ATOM 628 CG TRP A 40 -1.951 -10.613 -12.674 1.00 0.00 C ATOM 629 CD1 TRP A 40 -0.902 -9.935 -13.184 1.00 0.00 C ATOM 630 CD2 TRP A 40 -1.838 -11.978 -13.167 1.00 0.00 C ATOM 631 NE1 TRP A 40 -0.151 -10.795 -13.960 1.00 0.00 N ATOM 632 CE2 TRP A 40 -0.686 -12.068 -13.980 1.00 0.00 C ATOM 633 CE3 TRP A 40 -2.617 -13.137 -12.990 1.00 0.00 C ATOM 634 CZ2 TRP A 40 -0.315 -13.263 -14.595 1.00 0.00 C ATOM 635 CZ3 TRP A 40 -2.248 -14.343 -13.607 1.00 0.00 C ATOM 636 CH2 TRP A 40 -1.099 -14.406 -14.409 1.00 0.00 C ATOM 0 H TRP A 40 -4.253 -9.137 -9.918 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.322 -11.856 -10.644 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -3.966 -10.058 -12.283 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -2.773 -8.980 -11.587 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -0.685 -8.891 -13.013 1.00 0.00 H new ATOM 0 HE1 TRP A 40 0.696 -10.523 -14.458 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -3.504 -13.098 -12.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 0.571 -13.306 -15.211 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.852 -15.227 -13.463 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -0.820 -15.336 -14.882 1.00 0.00 H new ATOM 647 N THR A 41 -0.998 -9.707 -9.844 1.00 0.00 N ATOM 648 CA THR A 41 0.339 -9.623 -9.191 1.00 0.00 C ATOM 649 C THR A 41 0.910 -8.216 -9.365 1.00 0.00 C ATOM 650 O THR A 41 2.069 -8.040 -9.682 1.00 0.00 O ATOM 651 CB THR A 41 1.209 -10.649 -9.920 1.00 0.00 C ATOM 652 OG1 THR A 41 2.431 -10.818 -9.215 1.00 0.00 O ATOM 653 CG2 THR A 41 1.501 -10.157 -11.339 1.00 0.00 C ATOM 0 H THR A 41 -1.303 -8.856 -10.316 1.00 0.00 H new ATOM 0 HA THR A 41 0.292 -9.824 -8.121 1.00 0.00 H new ATOM 0 HB THR A 41 0.683 -11.602 -9.969 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.854 -9.944 -9.079 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.121 -10.889 -11.857 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.563 -10.028 -11.879 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.027 -9.204 -11.292 1.00 0.00 H new ATOM 661 N LEU A 42 0.102 -7.210 -9.169 1.00 0.00 N ATOM 662 CA LEU A 42 0.605 -5.816 -9.336 1.00 0.00 C ATOM 663 C LEU A 42 0.707 -5.114 -7.978 1.00 0.00 C ATOM 664 O LEU A 42 0.448 -3.933 -7.861 1.00 0.00 O ATOM 665 CB LEU A 42 -0.430 -5.125 -10.223 1.00 0.00 C ATOM 666 CG LEU A 42 0.016 -5.199 -11.684 1.00 0.00 C ATOM 667 CD1 LEU A 42 -0.640 -6.405 -12.361 1.00 0.00 C ATOM 668 CD2 LEU A 42 -0.404 -3.918 -12.408 1.00 0.00 C ATOM 0 H LEU A 42 -0.879 -7.291 -8.902 1.00 0.00 H new ATOM 0 HA LEU A 42 1.602 -5.790 -9.776 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.403 -5.603 -10.104 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.547 -4.084 -9.920 1.00 0.00 H new ATOM 0 HG LEU A 42 1.100 -5.305 -11.727 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.321 -6.456 -13.402 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.343 -7.318 -11.845 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.724 -6.301 -12.319 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.087 -3.968 -13.450 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.488 -3.813 -12.363 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.064 -3.059 -11.928 1.00 0.00 H new ATOM 680 N SER A 43 1.086 -5.827 -6.953 1.00 0.00 N ATOM 681 CA SER A 43 1.206 -5.191 -5.610 1.00 0.00 C ATOM 682 C SER A 43 -0.092 -4.464 -5.248 1.00 0.00 C ATOM 683 O SER A 43 -1.076 -4.540 -5.957 1.00 0.00 O ATOM 684 CB SER A 43 2.357 -4.195 -5.748 1.00 0.00 C ATOM 685 OG SER A 43 3.566 -4.903 -5.993 1.00 0.00 O ATOM 0 H SER A 43 1.317 -6.820 -6.987 1.00 0.00 H new ATOM 0 HA SER A 43 1.389 -5.922 -4.822 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.157 -3.501 -6.565 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.449 -3.600 -4.839 1.00 0.00 H new ATOM 0 HG SER A 43 3.590 -5.711 -5.439 1.00 0.00 H new ATOM 691 N CYS A 44 -0.103 -3.760 -4.148 1.00 0.00 N ATOM 692 CA CYS A 44 -1.341 -3.032 -3.746 1.00 0.00 C ATOM 693 C CYS A 44 -1.486 -1.749 -4.567 1.00 0.00 C ATOM 694 O CYS A 44 -0.536 -1.266 -5.149 1.00 0.00 O ATOM 695 CB CYS A 44 -1.158 -2.710 -2.263 1.00 0.00 C ATOM 696 SG CYS A 44 -2.740 -2.169 -1.568 1.00 0.00 S ATOM 0 H CYS A 44 0.688 -3.658 -3.513 1.00 0.00 H new ATOM 0 HA CYS A 44 -2.241 -3.622 -3.919 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -0.795 -3.589 -1.730 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.407 -1.930 -2.139 1.00 0.00 H new ATOM 701 N TYR A 45 -2.666 -1.193 -4.625 1.00 0.00 N ATOM 702 CA TYR A 45 -2.851 0.055 -5.418 1.00 0.00 C ATOM 703 C TYR A 45 -3.858 0.995 -4.746 1.00 0.00 C ATOM 704 O TYR A 45 -5.045 0.732 -4.714 1.00 0.00 O ATOM 705 CB TYR A 45 -3.388 -0.406 -6.774 1.00 0.00 C ATOM 706 CG TYR A 45 -3.128 0.659 -7.822 1.00 0.00 C ATOM 707 CD1 TYR A 45 -2.766 1.958 -7.435 1.00 0.00 C ATOM 708 CD2 TYR A 45 -3.251 0.345 -9.181 1.00 0.00 C ATOM 709 CE1 TYR A 45 -2.528 2.938 -8.407 1.00 0.00 C ATOM 710 CE2 TYR A 45 -3.013 1.326 -10.152 1.00 0.00 C ATOM 711 CZ TYR A 45 -2.651 2.623 -9.764 1.00 0.00 C ATOM 712 OH TYR A 45 -2.416 3.589 -10.721 1.00 0.00 O ATOM 0 H TYR A 45 -3.503 -1.546 -4.162 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.917 0.610 -5.507 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -2.909 -1.340 -7.066 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.457 -0.605 -6.703 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.671 2.202 -6.387 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -3.530 -0.654 -9.481 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -2.249 3.938 -8.108 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -3.108 1.083 -11.200 1.00 0.00 H new ATOM 0 HH TYR A 45 -2.544 3.204 -11.613 1.00 0.00 H new ATOM 722 N CYS A 46 -3.393 2.102 -4.229 1.00 0.00 N ATOM 723 CA CYS A 46 -4.320 3.076 -3.583 1.00 0.00 C ATOM 724 C CYS A 46 -4.052 4.475 -4.142 1.00 0.00 C ATOM 725 O CYS A 46 -2.918 4.891 -4.274 1.00 0.00 O ATOM 726 CB CYS A 46 -4.007 3.023 -2.086 1.00 0.00 C ATOM 727 SG CYS A 46 -4.160 1.318 -1.499 1.00 0.00 S ATOM 0 H CYS A 46 -2.410 2.373 -4.227 1.00 0.00 H new ATOM 0 HA CYS A 46 -5.367 2.839 -3.771 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -2.999 3.394 -1.901 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -4.691 3.671 -1.537 1.00 0.00 H new ATOM 732 N GLN A 47 -5.080 5.201 -4.482 1.00 0.00 N ATOM 733 CA GLN A 47 -4.866 6.566 -5.044 1.00 0.00 C ATOM 734 C GLN A 47 -5.689 7.600 -4.270 1.00 0.00 C ATOM 735 O GLN A 47 -6.797 7.336 -3.847 1.00 0.00 O ATOM 736 CB GLN A 47 -5.347 6.478 -6.494 1.00 0.00 C ATOM 737 CG GLN A 47 -6.666 5.703 -6.552 1.00 0.00 C ATOM 738 CD GLN A 47 -7.152 5.623 -8.000 1.00 0.00 C ATOM 739 OE1 GLN A 47 -6.739 6.402 -8.837 1.00 0.00 O ATOM 740 NE2 GLN A 47 -8.019 4.706 -8.332 1.00 0.00 N ATOM 0 H GLN A 47 -6.054 4.912 -4.396 1.00 0.00 H new ATOM 0 HA GLN A 47 -3.824 6.878 -4.975 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.483 7.479 -6.904 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.595 5.982 -7.108 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -6.528 4.700 -6.148 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.416 6.195 -5.933 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.365 4.053 -7.629 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -8.351 4.642 -9.294 1.00 0.00 H new ATOM 749 N GLY A 48 -5.158 8.779 -4.086 1.00 0.00 N ATOM 750 CA GLY A 48 -5.911 9.830 -3.344 1.00 0.00 C ATOM 751 C GLY A 48 -5.340 9.966 -1.931 1.00 0.00 C ATOM 752 O GLY A 48 -6.021 10.367 -1.013 1.00 0.00 O ATOM 0 H GLY A 48 -4.235 9.059 -4.418 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -5.840 10.782 -3.869 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -6.968 9.570 -3.297 1.00 0.00 H new ATOM 756 N LEU A 49 -4.090 9.643 -1.755 1.00 0.00 N ATOM 757 CA LEU A 49 -3.473 9.760 -0.398 1.00 0.00 C ATOM 758 C LEU A 49 -2.542 10.977 -0.347 1.00 0.00 C ATOM 759 O LEU A 49 -2.251 11.574 -1.362 1.00 0.00 O ATOM 760 CB LEU A 49 -2.686 8.453 -0.167 1.00 0.00 C ATOM 761 CG LEU A 49 -2.107 7.922 -1.484 1.00 0.00 C ATOM 762 CD1 LEU A 49 -0.875 7.063 -1.196 1.00 0.00 C ATOM 763 CD2 LEU A 49 -3.157 7.065 -2.194 1.00 0.00 C ATOM 0 H LEU A 49 -3.467 9.303 -2.488 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.227 9.901 0.377 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.879 8.631 0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.341 7.703 0.275 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.827 8.764 -2.117 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.466 6.687 -2.134 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.122 7.665 -0.687 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.157 6.223 -0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.746 6.687 -3.130 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.435 6.227 -1.555 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.039 7.670 -2.403 1.00 0.00 H new ATOM 775 N PRO A 50 -2.111 11.313 0.840 1.00 0.00 N ATOM 776 CA PRO A 50 -1.207 12.475 1.018 1.00 0.00 C ATOM 777 C PRO A 50 0.205 12.130 0.541 1.00 0.00 C ATOM 778 O PRO A 50 0.560 10.975 0.409 1.00 0.00 O ATOM 779 CB PRO A 50 -1.221 12.714 2.525 1.00 0.00 C ATOM 780 CG PRO A 50 -1.578 11.391 3.125 1.00 0.00 C ATOM 781 CD PRO A 50 -2.420 10.654 2.115 1.00 0.00 C ATOM 0 HA PRO A 50 -1.519 13.350 0.448 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.249 13.058 2.879 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -1.948 13.479 2.796 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.679 10.822 3.364 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -2.127 11.527 4.057 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -2.170 9.593 2.086 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -3.481 10.725 2.353 1.00 0.00 H new ATOM 789 N ASP A 51 1.014 13.121 0.287 1.00 0.00 N ATOM 790 CA ASP A 51 2.404 12.845 -0.173 1.00 0.00 C ATOM 791 C ASP A 51 3.150 12.027 0.884 1.00 0.00 C ATOM 792 O ASP A 51 4.135 11.376 0.601 1.00 0.00 O ATOM 793 CB ASP A 51 3.048 14.220 -0.338 1.00 0.00 C ATOM 794 CG ASP A 51 4.371 14.076 -1.090 1.00 0.00 C ATOM 795 OD1 ASP A 51 5.263 13.434 -0.560 1.00 0.00 O ATOM 796 OD2 ASP A 51 4.470 14.608 -2.183 1.00 0.00 O ATOM 0 H ASP A 51 0.773 14.108 0.378 1.00 0.00 H new ATOM 0 HA ASP A 51 2.429 12.272 -1.100 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.378 14.884 -0.884 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.220 14.672 0.639 1.00 0.00 H new ATOM 801 N ASN A 52 2.682 12.057 2.102 1.00 0.00 N ATOM 802 CA ASN A 52 3.358 11.284 3.184 1.00 0.00 C ATOM 803 C ASN A 52 2.912 9.820 3.139 1.00 0.00 C ATOM 804 O ASN A 52 3.268 9.025 3.987 1.00 0.00 O ATOM 805 CB ASN A 52 2.902 11.949 4.484 1.00 0.00 C ATOM 806 CG ASN A 52 3.151 11.006 5.663 1.00 0.00 C ATOM 807 OD1 ASN A 52 2.308 10.200 6.001 1.00 0.00 O ATOM 808 ND2 ASN A 52 4.284 11.075 6.309 1.00 0.00 N ATOM 0 H ASN A 52 1.860 12.584 2.395 1.00 0.00 H new ATOM 0 HA ASN A 52 4.443 11.287 3.085 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.442 12.884 4.634 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.843 12.199 4.423 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.460 10.452 7.097 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.992 11.752 6.025 1.00 0.00 H new ATOM 815 N ALA A 53 2.136 9.457 2.154 1.00 0.00 N ATOM 816 CA ALA A 53 1.667 8.046 2.053 1.00 0.00 C ATOM 817 C ALA A 53 2.861 7.088 2.090 1.00 0.00 C ATOM 818 O ALA A 53 3.962 7.440 1.716 1.00 0.00 O ATOM 819 CB ALA A 53 0.958 7.963 0.705 1.00 0.00 C ATOM 0 H ALA A 53 1.806 10.077 1.414 1.00 0.00 H new ATOM 0 HA ALA A 53 1.011 7.768 2.878 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.582 6.951 0.554 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.125 8.666 0.688 1.00 0.00 H new ATOM 0 HB3 ALA A 53 1.660 8.212 -0.091 1.00 0.00 H new ATOM 825 N ARG A 54 2.653 5.881 2.538 1.00 0.00 N ATOM 826 CA ARG A 54 3.779 4.904 2.597 1.00 0.00 C ATOM 827 C ARG A 54 3.648 3.874 1.473 1.00 0.00 C ATOM 828 O ARG A 54 3.017 2.847 1.629 1.00 0.00 O ATOM 829 CB ARG A 54 3.646 4.227 3.961 1.00 0.00 C ATOM 830 CG ARG A 54 4.591 3.025 4.026 1.00 0.00 C ATOM 831 CD ARG A 54 4.722 2.555 5.477 1.00 0.00 C ATOM 832 NE ARG A 54 3.325 2.491 5.988 1.00 0.00 N ATOM 833 CZ ARG A 54 2.686 1.353 5.994 1.00 0.00 C ATOM 834 NH1 ARG A 54 2.960 0.446 5.097 1.00 0.00 N ATOM 835 NH2 ARG A 54 1.771 1.125 6.897 1.00 0.00 N ATOM 0 H ARG A 54 1.754 5.528 2.866 1.00 0.00 H new ATOM 0 HA ARG A 54 4.749 5.386 2.473 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.884 4.934 4.755 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.617 3.904 4.120 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.210 2.215 3.404 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.570 3.297 3.631 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.208 1.581 5.534 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.326 3.248 6.063 1.00 0.00 H new ATOM 0 HE ARG A 54 2.868 3.335 6.333 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.674 0.626 4.391 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.461 -0.443 5.102 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.556 1.836 7.596 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.271 0.236 6.903 1.00 0.00 H new ATOM 849 N ILE A 55 4.243 4.138 0.342 1.00 0.00 N ATOM 850 CA ILE A 55 4.157 3.173 -0.793 1.00 0.00 C ATOM 851 C ILE A 55 5.426 3.246 -1.644 1.00 0.00 C ATOM 852 O ILE A 55 6.133 4.234 -1.637 1.00 0.00 O ATOM 853 CB ILE A 55 2.943 3.619 -1.608 1.00 0.00 C ATOM 854 CG1 ILE A 55 3.281 4.906 -2.367 1.00 0.00 C ATOM 855 CG2 ILE A 55 1.760 3.872 -0.671 1.00 0.00 C ATOM 856 CD1 ILE A 55 3.480 6.056 -1.377 1.00 0.00 C ATOM 0 H ILE A 55 4.786 4.981 0.154 1.00 0.00 H new ATOM 0 HA ILE A 55 4.060 2.143 -0.450 1.00 0.00 H new ATOM 0 HB ILE A 55 2.678 2.837 -2.320 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.185 4.763 -2.959 1.00 0.00 H new ATOM 0 HG13 ILE A 55 2.479 5.149 -3.064 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.896 4.190 -1.254 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.518 2.955 -0.134 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.022 4.652 0.044 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.720 6.968 -1.923 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.565 6.206 -0.805 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.297 5.814 -0.698 1.00 0.00 H new ATOM 868 N LYS A 56 5.715 2.208 -2.380 1.00 0.00 N ATOM 869 CA LYS A 56 6.936 2.215 -3.236 1.00 0.00 C ATOM 870 C LYS A 56 8.111 2.838 -2.479 1.00 0.00 C ATOM 871 O LYS A 56 8.745 3.762 -2.949 1.00 0.00 O ATOM 872 CB LYS A 56 6.565 3.067 -4.451 1.00 0.00 C ATOM 873 CG LYS A 56 5.811 2.207 -5.467 1.00 0.00 C ATOM 874 CD LYS A 56 6.793 1.672 -6.509 1.00 0.00 C ATOM 875 CE LYS A 56 6.562 0.172 -6.706 1.00 0.00 C ATOM 876 NZ LYS A 56 7.751 -0.483 -6.091 1.00 0.00 N ATOM 0 H LYS A 56 5.158 1.355 -2.426 1.00 0.00 H new ATOM 0 HA LYS A 56 7.244 1.210 -3.524 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.947 3.910 -4.142 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.465 3.481 -4.906 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.314 1.379 -4.961 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.034 2.797 -5.953 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.659 2.198 -7.454 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.818 1.853 -6.185 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.639 -0.152 -6.225 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.475 -0.079 -7.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.667 -1.515 -6.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.614 -0.160 -6.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.804 -0.231 -5.083 1.00 0.00 H new ATOM 890 N ARG A 57 8.404 2.340 -1.311 1.00 0.00 N ATOM 891 CA ARG A 57 9.538 2.900 -0.523 1.00 0.00 C ATOM 892 C ARG A 57 10.790 2.048 -0.735 1.00 0.00 C ATOM 893 O ARG A 57 11.900 2.488 -0.513 1.00 0.00 O ATOM 894 CB ARG A 57 9.079 2.830 0.933 1.00 0.00 C ATOM 895 CG ARG A 57 8.679 4.228 1.405 1.00 0.00 C ATOM 896 CD ARG A 57 7.396 4.141 2.235 1.00 0.00 C ATOM 897 NE ARG A 57 7.782 4.627 3.587 1.00 0.00 N ATOM 898 CZ ARG A 57 8.529 3.885 4.356 1.00 0.00 C ATOM 899 NH1 ARG A 57 8.232 2.628 4.541 1.00 0.00 N ATOM 900 NH2 ARG A 57 9.575 4.400 4.942 1.00 0.00 N ATOM 0 H ARG A 57 7.907 1.568 -0.867 1.00 0.00 H new ATOM 0 HA ARG A 57 9.790 3.918 -0.820 1.00 0.00 H new ATOM 0 HB2 ARG A 57 8.235 2.147 1.028 1.00 0.00 H new ATOM 0 HB3 ARG A 57 9.879 2.437 1.560 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.481 4.665 2.000 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.526 4.883 0.547 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.605 4.755 1.805 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.020 3.119 2.275 1.00 0.00 H new ATOM 0 HE ARG A 57 7.463 5.540 3.912 1.00 0.00 H new ATOM 0 HH11 ARG A 57 7.414 2.224 4.084 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.817 2.049 5.143 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.808 5.383 4.798 1.00 0.00 H new ATOM 0 HH22 ARG A 57 10.160 3.820 5.544 1.00 0.00 H new ATOM 914 N SER A 58 10.613 0.832 -1.167 1.00 0.00 N ATOM 915 CA SER A 58 11.787 -0.058 -1.401 1.00 0.00 C ATOM 916 C SER A 58 12.561 -0.269 -0.097 1.00 0.00 C ATOM 917 O SER A 58 12.168 0.200 0.952 1.00 0.00 O ATOM 918 CB SER A 58 12.647 0.681 -2.424 1.00 0.00 C ATOM 919 OG SER A 58 14.014 0.586 -2.046 1.00 0.00 O ATOM 0 H SER A 58 9.705 0.413 -1.369 1.00 0.00 H new ATOM 0 HA SER A 58 11.492 -1.046 -1.756 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.502 0.252 -3.416 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.346 1.727 -2.481 1.00 0.00 H new ATOM 0 HG SER A 58 14.568 1.058 -2.702 1.00 0.00 H new ATOM 925 N GLY A 59 13.657 -0.975 -0.157 1.00 0.00 N ATOM 926 CA GLY A 59 14.455 -1.220 1.078 1.00 0.00 C ATOM 927 C GLY A 59 14.345 -2.694 1.467 1.00 0.00 C ATOM 928 O GLY A 59 13.715 -3.479 0.786 1.00 0.00 O ATOM 0 H GLY A 59 14.034 -1.393 -1.008 1.00 0.00 H new ATOM 0 HA2 GLY A 59 15.498 -0.954 0.909 1.00 0.00 H new ATOM 0 HA3 GLY A 59 14.092 -0.590 1.890 1.00 0.00 H new ATOM 932 N ARG A 60 14.951 -3.080 2.555 1.00 0.00 N ATOM 933 CA ARG A 60 14.876 -4.506 2.982 1.00 0.00 C ATOM 934 C ARG A 60 13.958 -4.647 4.198 1.00 0.00 C ATOM 935 O ARG A 60 13.366 -3.690 4.656 1.00 0.00 O ATOM 936 CB ARG A 60 16.312 -4.884 3.347 1.00 0.00 C ATOM 937 CG ARG A 60 16.705 -4.192 4.654 1.00 0.00 C ATOM 938 CD ARG A 60 18.140 -4.574 5.021 1.00 0.00 C ATOM 939 NE ARG A 60 18.003 -5.724 5.958 1.00 0.00 N ATOM 940 CZ ARG A 60 18.823 -5.848 6.966 1.00 0.00 C ATOM 941 NH1 ARG A 60 19.096 -4.816 7.718 1.00 0.00 N ATOM 942 NH2 ARG A 60 19.372 -7.003 7.222 1.00 0.00 N ATOM 0 H ARG A 60 15.494 -2.471 3.167 1.00 0.00 H new ATOM 0 HA ARG A 60 14.470 -5.150 2.202 1.00 0.00 H new ATOM 0 HB2 ARG A 60 16.398 -5.965 3.455 1.00 0.00 H new ATOM 0 HB3 ARG A 60 16.992 -4.588 2.548 1.00 0.00 H new ATOM 0 HG2 ARG A 60 16.622 -3.111 4.545 1.00 0.00 H new ATOM 0 HG3 ARG A 60 16.024 -4.485 5.453 1.00 0.00 H new ATOM 0 HD2 ARG A 60 18.713 -4.851 4.137 1.00 0.00 H new ATOM 0 HD3 ARG A 60 18.663 -3.741 5.492 1.00 0.00 H new ATOM 0 HE ARG A 60 17.267 -6.415 5.812 1.00 0.00 H new ATOM 0 HH11 ARG A 60 18.668 -3.912 7.518 1.00 0.00 H new ATOM 0 HH12 ARG A 60 19.737 -4.914 8.505 1.00 0.00 H new ATOM 0 HH21 ARG A 60 19.161 -7.810 6.634 1.00 0.00 H new ATOM 0 HH22 ARG A 60 20.013 -7.100 8.010 1.00 0.00 H new ATOM 956 N CYS A 61 13.835 -5.834 4.726 1.00 0.00 N ATOM 957 CA CYS A 61 12.956 -6.034 5.913 1.00 0.00 C ATOM 958 C CYS A 61 13.262 -4.977 6.979 1.00 0.00 C ATOM 959 O CYS A 61 14.385 -4.833 7.421 1.00 0.00 O ATOM 960 CB CYS A 61 13.304 -7.430 6.428 1.00 0.00 C ATOM 961 SG CYS A 61 11.989 -8.588 5.975 1.00 0.00 S ATOM 0 H CYS A 61 14.305 -6.674 4.387 1.00 0.00 H new ATOM 0 HA CYS A 61 11.898 -5.941 5.667 1.00 0.00 H new ATOM 0 HB2 CYS A 61 14.253 -7.759 6.005 1.00 0.00 H new ATOM 0 HB3 CYS A 61 13.427 -7.409 7.511 1.00 0.00 H new ATOM 966 N ARG A 62 12.271 -4.237 7.394 1.00 0.00 N ATOM 967 CA ARG A 62 12.505 -3.190 8.430 1.00 0.00 C ATOM 968 C ARG A 62 12.511 -3.813 9.829 1.00 0.00 C ATOM 969 O ARG A 62 11.881 -3.316 10.742 1.00 0.00 O ATOM 970 CB ARG A 62 11.331 -2.222 8.281 1.00 0.00 C ATOM 971 CG ARG A 62 11.861 -0.804 8.070 1.00 0.00 C ATOM 972 CD ARG A 62 10.899 -0.029 7.167 1.00 0.00 C ATOM 973 NE ARG A 62 10.135 0.854 8.092 1.00 0.00 N ATOM 974 CZ ARG A 62 9.498 0.341 9.109 1.00 0.00 C ATOM 975 NH1 ARG A 62 8.319 -0.191 8.940 1.00 0.00 N ATOM 976 NH2 ARG A 62 10.042 0.358 10.295 1.00 0.00 N ATOM 0 H ARG A 62 11.310 -4.311 7.061 1.00 0.00 H new ATOM 0 HA ARG A 62 13.467 -2.693 8.303 1.00 0.00 H new ATOM 0 HB2 ARG A 62 10.707 -2.518 7.437 1.00 0.00 H new ATOM 0 HB3 ARG A 62 10.702 -2.258 9.170 1.00 0.00 H new ATOM 0 HG2 ARG A 62 11.965 -0.297 9.029 1.00 0.00 H new ATOM 0 HG3 ARG A 62 12.853 -0.838 7.619 1.00 0.00 H new ATOM 0 HD2 ARG A 62 11.440 0.553 6.421 1.00 0.00 H new ATOM 0 HD3 ARG A 62 10.235 -0.703 6.626 1.00 0.00 H new ATOM 0 HE ARG A 62 10.110 1.861 7.930 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.895 -0.206 8.013 1.00 0.00 H new ATOM 0 HH12 ARG A 62 7.822 -0.592 9.735 1.00 0.00 H new ATOM 0 HH21 ARG A 62 10.965 0.772 10.427 1.00 0.00 H new ATOM 0 HH22 ARG A 62 9.544 -0.043 11.090 1.00 0.00 H new ATOM 990 N ALA A 63 13.219 -4.896 10.005 1.00 0.00 N ATOM 991 CA ALA A 63 13.265 -5.546 11.347 1.00 0.00 C ATOM 992 C ALA A 63 14.305 -6.670 11.356 1.00 0.00 C ATOM 993 CB ALA A 63 11.863 -6.114 11.562 1.00 0.00 C ATOM 0 H ALA A 63 13.767 -5.358 9.279 1.00 0.00 H new ATOM 0 HA ALA A 63 13.546 -4.846 12.134 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.816 -6.610 12.531 1.00 0.00 H new ATOM 0 HB2 ALA A 63 11.134 -5.304 11.533 1.00 0.00 H new ATOM 0 HB3 ALA A 63 11.637 -6.834 10.775 1.00 0.00 H new