USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=11 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+ -149:sc= -0.347 (180deg=-1.94!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -3.1! C(o=-3.1!,f=-7.2!) 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= -0.292 X(o=-0.29,f=0) 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= 0.0851 K(o=0.085,f=-4.2!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot -132:sc= 1.43 USER MOD Single : A 41 THR OG1 : rot -56:sc= 1.2 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -6.84! C(o=-6.8!,f=-12!) USER MOD Single : A 52 ASN : amide:sc= -0.348 X(o=-0.35,f=0.075) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -3.226 14.624 -2.966 1.00 0.00 N ATOM 2 CA LYS A 1 -3.931 13.533 -3.698 1.00 0.00 C ATOM 3 C LYS A 1 -2.946 12.771 -4.590 1.00 0.00 C ATOM 4 O LYS A 1 -2.705 13.140 -5.723 1.00 0.00 O ATOM 5 CB LYS A 1 -4.986 14.244 -4.545 1.00 0.00 C ATOM 6 CG LYS A 1 -5.854 15.128 -3.647 1.00 0.00 C ATOM 7 CD LYS A 1 -6.824 15.938 -4.510 1.00 0.00 C ATOM 8 CE LYS A 1 -8.227 15.875 -3.900 1.00 0.00 C ATOM 9 NZ LYS A 1 -9.032 16.849 -4.690 1.00 0.00 N ATOM 0 H1 LYS A 1 -3.686 14.779 -2.046 1.00 0.00 H new ATOM 0 H2 LYS A 1 -2.233 14.355 -2.815 1.00 0.00 H new ATOM 0 H3 LYS A 1 -3.267 15.500 -3.525 1.00 0.00 H new ATOM 0 HA LYS A 1 -4.376 12.802 -3.023 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -4.503 14.850 -5.312 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -5.607 13.512 -5.061 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -6.408 14.512 -2.939 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -5.225 15.799 -3.062 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -6.491 16.974 -4.576 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -6.840 15.543 -5.526 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -8.643 14.870 -3.969 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -8.211 16.141 -2.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -10.008 16.864 -4.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -8.616 17.798 -4.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -9.035 16.566 -5.691 1.00 0.00 H new ATOM 25 N ILE A 2 -2.378 11.710 -4.087 1.00 0.00 N ATOM 26 CA ILE A 2 -1.408 10.922 -4.902 1.00 0.00 C ATOM 27 C ILE A 2 -1.906 9.484 -5.065 1.00 0.00 C ATOM 28 O ILE A 2 -2.795 9.042 -4.365 1.00 0.00 O ATOM 29 CB ILE A 2 -0.103 10.951 -4.103 1.00 0.00 C ATOM 30 CG1 ILE A 2 1.041 10.427 -4.974 1.00 0.00 C ATOM 31 CG2 ILE A 2 -0.240 10.066 -2.861 1.00 0.00 C ATOM 32 CD1 ILE A 2 2.343 10.448 -4.170 1.00 0.00 C ATOM 0 H ILE A 2 -2.543 11.353 -3.146 1.00 0.00 H new ATOM 0 HA ILE A 2 -1.280 11.331 -5.904 1.00 0.00 H new ATOM 0 HB ILE A 2 0.109 11.976 -3.797 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.823 9.412 -5.308 1.00 0.00 H new ATOM 0 HG13 ILE A 2 1.143 11.042 -5.868 1.00 0.00 H new ATOM 0 HG21 ILE A 2 0.691 10.088 -2.294 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -1.054 10.437 -2.238 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -0.454 9.042 -3.166 1.00 0.00 H new ATOM 0 HD11 ILE A 2 3.159 10.075 -4.789 1.00 0.00 H new ATOM 0 HD12 ILE A 2 2.562 11.469 -3.858 1.00 0.00 H new ATOM 0 HD13 ILE A 2 2.237 9.815 -3.289 1.00 0.00 H new ATOM 44 N ASP A 3 -1.339 8.751 -5.983 1.00 0.00 N ATOM 45 CA ASP A 3 -1.780 7.341 -6.189 1.00 0.00 C ATOM 46 C ASP A 3 -0.578 6.458 -6.535 1.00 0.00 C ATOM 47 O ASP A 3 0.338 6.877 -7.215 1.00 0.00 O ATOM 48 CB ASP A 3 -2.760 7.397 -7.362 1.00 0.00 C ATOM 49 CG ASP A 3 -2.011 7.791 -8.637 1.00 0.00 C ATOM 50 OD1 ASP A 3 -1.107 8.604 -8.542 1.00 0.00 O ATOM 51 OD2 ASP A 3 -2.355 7.272 -9.686 1.00 0.00 O ATOM 0 H ASP A 3 -0.590 9.066 -6.599 1.00 0.00 H new ATOM 0 HA ASP A 3 -2.240 6.918 -5.296 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -3.240 6.427 -7.495 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -3.550 8.118 -7.155 1.00 0.00 H new ATOM 56 N GLY A 4 -0.573 5.237 -6.072 1.00 0.00 N ATOM 57 CA GLY A 4 0.573 4.332 -6.376 1.00 0.00 C ATOM 58 C GLY A 4 0.421 3.025 -5.594 1.00 0.00 C ATOM 59 O GLY A 4 -0.675 2.599 -5.285 1.00 0.00 O ATOM 0 H GLY A 4 -1.310 4.828 -5.498 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.611 4.125 -7.445 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.512 4.818 -6.112 1.00 0.00 H new ATOM 63 N TYR A 5 1.512 2.385 -5.275 1.00 0.00 N ATOM 64 CA TYR A 5 1.432 1.103 -4.514 1.00 0.00 C ATOM 65 C TYR A 5 1.959 1.294 -3.089 1.00 0.00 C ATOM 66 O TYR A 5 3.152 1.271 -2.861 1.00 0.00 O ATOM 67 CB TYR A 5 2.325 0.130 -5.285 1.00 0.00 C ATOM 68 CG TYR A 5 1.894 0.076 -6.732 1.00 0.00 C ATOM 69 CD1 TYR A 5 2.183 1.144 -7.590 1.00 0.00 C ATOM 70 CD2 TYR A 5 1.206 -1.044 -7.217 1.00 0.00 C ATOM 71 CE1 TYR A 5 1.786 1.092 -8.932 1.00 0.00 C ATOM 72 CE2 TYR A 5 0.810 -1.097 -8.559 1.00 0.00 C ATOM 73 CZ TYR A 5 1.101 -0.028 -9.416 1.00 0.00 C ATOM 74 OH TYR A 5 0.710 -0.079 -10.738 1.00 0.00 O ATOM 0 H TYR A 5 2.456 2.693 -5.508 1.00 0.00 H new ATOM 0 HA TYR A 5 0.408 0.741 -4.427 1.00 0.00 H new ATOM 0 HB2 TYR A 5 3.366 0.446 -5.218 1.00 0.00 H new ATOM 0 HB3 TYR A 5 2.264 -0.863 -4.841 1.00 0.00 H new ATOM 0 HD1 TYR A 5 2.712 2.008 -7.217 1.00 0.00 H new ATOM 0 HD2 TYR A 5 0.981 -1.867 -6.555 1.00 0.00 H new ATOM 0 HE1 TYR A 5 2.009 1.916 -9.593 1.00 0.00 H new ATOM 0 HE2 TYR A 5 0.281 -1.961 -8.933 1.00 0.00 H new ATOM 0 HH TYR A 5 0.247 -0.925 -10.910 1.00 0.00 H new ATOM 84 N PRO A 6 1.045 1.480 -2.177 1.00 0.00 N ATOM 85 CA PRO A 6 1.417 1.679 -0.755 1.00 0.00 C ATOM 86 C PRO A 6 1.824 0.351 -0.110 1.00 0.00 C ATOM 87 O PRO A 6 1.271 -0.690 -0.406 1.00 0.00 O ATOM 88 CB PRO A 6 0.136 2.215 -0.123 1.00 0.00 C ATOM 89 CG PRO A 6 -0.972 1.713 -0.996 1.00 0.00 C ATOM 90 CD PRO A 6 -0.407 1.523 -2.382 1.00 0.00 C ATOM 0 HA PRO A 6 2.267 2.349 -0.628 1.00 0.00 H new ATOM 0 HB2 PRO A 6 0.023 1.859 0.901 1.00 0.00 H new ATOM 0 HB3 PRO A 6 0.143 3.304 -0.082 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -1.367 0.773 -0.611 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -1.799 2.423 -1.013 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -0.772 0.603 -2.838 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -0.692 2.341 -3.044 1.00 0.00 H new ATOM 98 N VAL A 7 2.785 0.379 0.774 1.00 0.00 N ATOM 99 CA VAL A 7 3.223 -0.881 1.444 1.00 0.00 C ATOM 100 C VAL A 7 2.785 -0.874 2.911 1.00 0.00 C ATOM 101 O VAL A 7 2.053 -0.007 3.346 1.00 0.00 O ATOM 102 CB VAL A 7 4.750 -0.879 1.340 1.00 0.00 C ATOM 103 CG1 VAL A 7 5.163 -0.611 -0.108 1.00 0.00 C ATOM 104 CG2 VAL A 7 5.319 0.217 2.244 1.00 0.00 C ATOM 0 H VAL A 7 3.286 1.220 1.062 1.00 0.00 H new ATOM 0 HA VAL A 7 2.787 -1.768 0.984 1.00 0.00 H new ATOM 0 HB VAL A 7 5.138 -1.848 1.654 1.00 0.00 H new ATOM 0 HG11 VAL A 7 6.250 -0.610 -0.182 1.00 0.00 H new ATOM 0 HG12 VAL A 7 4.757 -1.390 -0.752 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.777 0.358 -0.423 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.407 0.220 2.172 1.00 0.00 H new ATOM 0 HG22 VAL A 7 4.931 1.186 1.929 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.025 0.027 3.276 1.00 0.00 H new ATOM 114 N ASP A 8 3.229 -1.832 3.678 1.00 0.00 N ATOM 115 CA ASP A 8 2.837 -1.877 5.117 1.00 0.00 C ATOM 116 C ASP A 8 3.832 -1.076 5.961 1.00 0.00 C ATOM 117 O ASP A 8 3.650 0.101 6.202 1.00 0.00 O ATOM 118 CB ASP A 8 2.878 -3.359 5.492 1.00 0.00 C ATOM 119 CG ASP A 8 1.503 -3.985 5.246 1.00 0.00 C ATOM 120 OD1 ASP A 8 0.527 -3.253 5.275 1.00 0.00 O ATOM 121 OD2 ASP A 8 1.448 -5.185 5.034 1.00 0.00 O ATOM 0 H ASP A 8 3.845 -2.585 3.372 1.00 0.00 H new ATOM 0 HA ASP A 8 1.853 -1.442 5.293 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.635 -3.874 4.901 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.159 -3.473 6.539 1.00 0.00 H new ATOM 126 N TYR A 9 4.883 -1.703 6.414 1.00 0.00 N ATOM 127 CA TYR A 9 5.888 -0.975 7.241 1.00 0.00 C ATOM 128 C TYR A 9 7.304 -1.431 6.877 1.00 0.00 C ATOM 129 O TYR A 9 8.211 -0.632 6.752 1.00 0.00 O ATOM 130 CB TYR A 9 5.556 -1.348 8.688 1.00 0.00 C ATOM 131 CG TYR A 9 5.303 -0.091 9.487 1.00 0.00 C ATOM 132 CD1 TYR A 9 6.267 0.923 9.523 1.00 0.00 C ATOM 133 CD2 TYR A 9 4.103 0.060 10.194 1.00 0.00 C ATOM 134 CE1 TYR A 9 6.031 2.088 10.264 1.00 0.00 C ATOM 135 CE2 TYR A 9 3.868 1.224 10.935 1.00 0.00 C ATOM 136 CZ TYR A 9 4.832 2.239 10.970 1.00 0.00 C ATOM 137 OH TYR A 9 4.601 3.386 11.702 1.00 0.00 O ATOM 0 H TYR A 9 5.090 -2.688 6.247 1.00 0.00 H new ATOM 0 HA TYR A 9 5.853 0.103 7.081 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.677 -1.993 8.716 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.379 -1.912 9.127 1.00 0.00 H new ATOM 0 HD1 TYR A 9 7.193 0.807 8.979 1.00 0.00 H new ATOM 0 HD2 TYR A 9 3.359 -0.722 10.167 1.00 0.00 H new ATOM 0 HE1 TYR A 9 6.775 2.870 10.291 1.00 0.00 H new ATOM 0 HE2 TYR A 9 2.943 1.339 11.480 1.00 0.00 H new ATOM 0 HH TYR A 9 3.721 3.330 12.130 1.00 0.00 H new ATOM 147 N TRP A 10 7.499 -2.710 6.702 1.00 0.00 N ATOM 148 CA TRP A 10 8.855 -3.216 6.342 1.00 0.00 C ATOM 149 C TRP A 10 8.822 -3.867 4.954 1.00 0.00 C ATOM 150 O TRP A 10 9.713 -4.602 4.581 1.00 0.00 O ATOM 151 CB TRP A 10 9.192 -4.252 7.416 1.00 0.00 C ATOM 152 CG TRP A 10 8.902 -3.682 8.769 1.00 0.00 C ATOM 153 CD1 TRP A 10 9.737 -2.886 9.475 1.00 0.00 C ATOM 154 CD2 TRP A 10 7.710 -3.853 9.589 1.00 0.00 C ATOM 155 NE1 TRP A 10 9.133 -2.555 10.675 1.00 0.00 N ATOM 156 CE2 TRP A 10 7.882 -3.128 10.792 1.00 0.00 C ATOM 157 CE3 TRP A 10 6.508 -4.559 9.407 1.00 0.00 C ATOM 158 CZ2 TRP A 10 6.896 -3.104 11.779 1.00 0.00 C ATOM 159 CZ3 TRP A 10 5.513 -4.537 10.398 1.00 0.00 C ATOM 160 CH2 TRP A 10 5.707 -3.811 11.582 1.00 0.00 C ATOM 0 H TRP A 10 6.778 -3.426 6.793 1.00 0.00 H new ATOM 0 HA TRP A 10 9.598 -2.419 6.302 1.00 0.00 H new ATOM 0 HB2 TRP A 10 8.607 -5.158 7.259 1.00 0.00 H new ATOM 0 HB3 TRP A 10 10.242 -4.535 7.346 1.00 0.00 H new ATOM 0 HD1 TRP A 10 10.716 -2.562 9.154 1.00 0.00 H new ATOM 0 HE1 TRP A 10 9.559 -1.961 11.386 1.00 0.00 H new ATOM 0 HE3 TRP A 10 6.349 -5.122 8.499 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 7.051 -2.543 12.689 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 4.593 -5.082 10.247 1.00 0.00 H new ATOM 0 HH2 TRP A 10 4.938 -3.798 12.341 1.00 0.00 H new ATOM 171 N ASN A 11 7.797 -3.602 4.189 1.00 0.00 N ATOM 172 CA ASN A 11 7.704 -4.204 2.827 1.00 0.00 C ATOM 173 C ASN A 11 7.777 -5.729 2.919 1.00 0.00 C ATOM 174 O ASN A 11 8.030 -6.410 1.946 1.00 0.00 O ATOM 175 CB ASN A 11 8.913 -3.656 2.064 1.00 0.00 C ATOM 176 CG ASN A 11 8.758 -2.146 1.878 1.00 0.00 C ATOM 177 OD1 ASN A 11 7.687 -1.605 2.071 1.00 0.00 O ATOM 178 ND2 ASN A 11 9.790 -1.437 1.508 1.00 0.00 N ATOM 0 H ASN A 11 7.020 -2.995 4.448 1.00 0.00 H new ATOM 0 HA ASN A 11 6.765 -3.958 2.332 1.00 0.00 H new ATOM 0 HB2 ASN A 11 9.830 -3.873 2.611 1.00 0.00 H new ATOM 0 HB3 ASN A 11 8.997 -4.146 1.094 1.00 0.00 H new ATOM 0 HD21 ASN A 11 9.697 -0.429 1.381 1.00 0.00 H new ATOM 0 HD22 ASN A 11 10.689 -1.891 1.346 1.00 0.00 H new ATOM 185 N CYS A 12 7.559 -6.270 4.086 1.00 0.00 N ATOM 186 CA CYS A 12 7.616 -7.752 4.246 1.00 0.00 C ATOM 187 C CYS A 12 6.422 -8.406 3.544 1.00 0.00 C ATOM 188 O CYS A 12 6.371 -9.608 3.379 1.00 0.00 O ATOM 189 CB CYS A 12 7.546 -7.992 5.753 1.00 0.00 C ATOM 190 SG CYS A 12 9.141 -7.582 6.505 1.00 0.00 S ATOM 0 H CYS A 12 7.344 -5.750 4.937 1.00 0.00 H new ATOM 0 HA CYS A 12 8.517 -8.179 3.807 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.757 -7.382 6.193 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.294 -9.033 5.955 1.00 0.00 H new ATOM 195 N LYS A 13 5.463 -7.624 3.133 1.00 0.00 N ATOM 196 CA LYS A 13 4.273 -8.202 2.446 1.00 0.00 C ATOM 197 C LYS A 13 4.306 -7.862 0.953 1.00 0.00 C ATOM 198 O LYS A 13 3.295 -7.555 0.354 1.00 0.00 O ATOM 199 CB LYS A 13 3.069 -7.543 3.118 1.00 0.00 C ATOM 200 CG LYS A 13 2.733 -8.291 4.409 1.00 0.00 C ATOM 201 CD LYS A 13 3.633 -7.789 5.540 1.00 0.00 C ATOM 202 CE LYS A 13 3.417 -8.652 6.785 1.00 0.00 C ATOM 203 NZ LYS A 13 3.801 -7.779 7.929 1.00 0.00 N ATOM 0 H LYS A 13 5.451 -6.610 3.243 1.00 0.00 H new ATOM 0 HA LYS A 13 4.240 -9.289 2.523 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.288 -6.498 3.337 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.212 -7.555 2.445 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.686 -8.138 4.668 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.873 -9.363 4.268 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.678 -7.830 5.233 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.407 -6.746 5.763 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.379 -8.975 6.866 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.030 -9.553 6.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.680 -8.301 8.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.796 -7.492 7.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.196 -6.933 7.938 1.00 0.00 H new ATOM 217 N ARG A 14 5.461 -7.914 0.347 1.00 0.00 N ATOM 218 CA ARG A 14 5.553 -7.593 -1.106 1.00 0.00 C ATOM 219 C ARG A 14 4.770 -6.313 -1.410 1.00 0.00 C ATOM 220 O ARG A 14 4.147 -6.186 -2.445 1.00 0.00 O ATOM 221 CB ARG A 14 4.920 -8.792 -1.814 1.00 0.00 C ATOM 222 CG ARG A 14 5.240 -8.734 -3.308 1.00 0.00 C ATOM 223 CD ARG A 14 6.235 -9.844 -3.657 1.00 0.00 C ATOM 224 NE ARG A 14 6.954 -9.352 -4.867 1.00 0.00 N ATOM 225 CZ ARG A 14 7.093 -10.132 -5.904 1.00 0.00 C ATOM 226 NH1 ARG A 14 7.295 -11.410 -5.739 1.00 0.00 N ATOM 227 NH2 ARG A 14 7.035 -9.632 -7.108 1.00 0.00 N ATOM 0 H ARG A 14 6.343 -8.164 0.794 1.00 0.00 H new ATOM 0 HA ARG A 14 6.579 -7.423 -1.432 1.00 0.00 H new ATOM 0 HB2 ARG A 14 5.298 -9.721 -1.387 1.00 0.00 H new ATOM 0 HB3 ARG A 14 3.841 -8.788 -1.663 1.00 0.00 H new ATOM 0 HG2 ARG A 14 4.327 -8.852 -3.892 1.00 0.00 H new ATOM 0 HG3 ARG A 14 5.659 -7.761 -3.564 1.00 0.00 H new ATOM 0 HD2 ARG A 14 6.926 -10.027 -2.834 1.00 0.00 H new ATOM 0 HD3 ARG A 14 5.722 -10.785 -3.858 1.00 0.00 H new ATOM 0 HE ARG A 14 7.337 -8.407 -4.884 1.00 0.00 H new ATOM 0 HH11 ARG A 14 7.345 -11.801 -4.798 1.00 0.00 H new ATOM 0 HH12 ARG A 14 7.403 -12.018 -6.551 1.00 0.00 H new ATOM 0 HH21 ARG A 14 6.881 -8.632 -7.238 1.00 0.00 H new ATOM 0 HH22 ARG A 14 7.144 -10.241 -7.919 1.00 0.00 H new ATOM 241 N ILE A 15 4.792 -5.369 -0.506 1.00 0.00 N ATOM 242 CA ILE A 15 4.049 -4.091 -0.724 1.00 0.00 C ATOM 243 C ILE A 15 2.542 -4.353 -0.830 1.00 0.00 C ATOM 244 O ILE A 15 1.769 -3.467 -1.137 1.00 0.00 O ATOM 245 CB ILE A 15 4.596 -3.523 -2.034 1.00 0.00 C ATOM 246 CG1 ILE A 15 6.124 -3.462 -1.965 1.00 0.00 C ATOM 247 CG2 ILE A 15 4.043 -2.113 -2.250 1.00 0.00 C ATOM 248 CD1 ILE A 15 6.722 -4.305 -3.093 1.00 0.00 C ATOM 0 H ILE A 15 5.295 -5.428 0.379 1.00 0.00 H new ATOM 0 HA ILE A 15 4.185 -3.396 0.104 1.00 0.00 H new ATOM 0 HB ILE A 15 4.293 -4.165 -2.861 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.461 -2.429 -2.051 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.470 -3.831 -0.999 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.433 -1.708 -3.184 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.955 -2.152 -2.298 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.347 -1.472 -1.422 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.810 -4.261 -3.043 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.396 -5.340 -2.986 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.387 -3.916 -4.055 1.00 0.00 H new ATOM 260 N CYS A 16 2.115 -5.560 -0.571 1.00 0.00 N ATOM 261 CA CYS A 16 0.659 -5.872 -0.648 1.00 0.00 C ATOM 262 C CYS A 16 0.311 -6.962 0.367 1.00 0.00 C ATOM 263 O CYS A 16 0.725 -8.096 0.235 1.00 0.00 O ATOM 264 CB CYS A 16 0.436 -6.379 -2.071 1.00 0.00 C ATOM 265 SG CYS A 16 -1.263 -6.983 -2.236 1.00 0.00 S ATOM 0 H CYS A 16 2.713 -6.344 -0.309 1.00 0.00 H new ATOM 0 HA CYS A 16 0.035 -5.007 -0.424 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.620 -5.578 -2.787 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.141 -7.178 -2.299 1.00 0.00 H new ATOM 270 N TRP A 17 -0.439 -6.628 1.379 1.00 0.00 N ATOM 271 CA TRP A 17 -0.802 -7.650 2.401 1.00 0.00 C ATOM 272 C TRP A 17 -1.193 -8.971 1.719 1.00 0.00 C ATOM 273 O TRP A 17 -0.346 -9.786 1.412 1.00 0.00 O ATOM 274 CB TRP A 17 -1.980 -7.041 3.169 1.00 0.00 C ATOM 275 CG TRP A 17 -2.307 -7.906 4.345 1.00 0.00 C ATOM 276 CD1 TRP A 17 -1.776 -9.128 4.581 1.00 0.00 C ATOM 277 CD2 TRP A 17 -3.221 -7.637 5.448 1.00 0.00 C ATOM 278 NE1 TRP A 17 -2.306 -9.627 5.755 1.00 0.00 N ATOM 279 CE2 TRP A 17 -3.201 -8.745 6.328 1.00 0.00 C ATOM 280 CE3 TRP A 17 -4.056 -6.552 5.767 1.00 0.00 C ATOM 281 CZ2 TRP A 17 -3.983 -8.777 7.482 1.00 0.00 C ATOM 282 CZ3 TRP A 17 -4.844 -6.580 6.930 1.00 0.00 C ATOM 283 CH2 TRP A 17 -4.806 -7.690 7.786 1.00 0.00 C ATOM 0 H TRP A 17 -0.816 -5.694 1.543 1.00 0.00 H new ATOM 0 HA TRP A 17 0.026 -7.888 3.069 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -1.729 -6.034 3.503 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -2.848 -6.953 2.516 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -1.055 -9.631 3.954 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -2.066 -10.536 6.150 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -4.092 -5.692 5.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -3.953 -9.636 8.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -5.483 -5.742 7.166 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -5.412 -7.704 8.680 1.00 0.00 H new ATOM 294 N TYR A 18 -2.457 -9.197 1.477 1.00 0.00 N ATOM 295 CA TYR A 18 -2.866 -10.470 0.814 1.00 0.00 C ATOM 296 C TYR A 18 -4.261 -10.328 0.204 1.00 0.00 C ATOM 297 O TYR A 18 -4.438 -10.404 -0.996 1.00 0.00 O ATOM 298 CB TYR A 18 -2.873 -11.515 1.930 1.00 0.00 C ATOM 299 CG TYR A 18 -2.540 -12.871 1.355 1.00 0.00 C ATOM 300 CD1 TYR A 18 -1.206 -13.226 1.121 1.00 0.00 C ATOM 301 CD2 TYR A 18 -3.567 -13.777 1.058 1.00 0.00 C ATOM 302 CE1 TYR A 18 -0.898 -14.484 0.589 1.00 0.00 C ATOM 303 CE2 TYR A 18 -3.258 -15.036 0.527 1.00 0.00 C ATOM 304 CZ TYR A 18 -1.924 -15.389 0.292 1.00 0.00 C ATOM 305 OH TYR A 18 -1.621 -16.630 -0.232 1.00 0.00 O ATOM 0 H TYR A 18 -3.220 -8.560 1.708 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.193 -10.745 0.002 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.148 -11.246 2.698 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -3.851 -11.542 2.410 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -0.414 -12.529 1.351 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.596 -13.505 1.238 1.00 0.00 H new ATOM 0 HE1 TYR A 18 0.131 -14.756 0.408 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.049 -15.735 0.299 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.449 -17.134 -0.379 1.00 0.00 H new ATOM 315 N ASN A 19 -5.250 -10.122 1.025 1.00 0.00 N ATOM 316 CA ASN A 19 -6.638 -9.975 0.503 1.00 0.00 C ATOM 317 C ASN A 19 -6.786 -8.652 -0.251 1.00 0.00 C ATOM 318 O ASN A 19 -5.909 -7.811 -0.228 1.00 0.00 O ATOM 319 CB ASN A 19 -7.530 -9.983 1.745 1.00 0.00 C ATOM 320 CG ASN A 19 -8.580 -11.088 1.614 1.00 0.00 C ATOM 321 OD1 ASN A 19 -8.266 -12.257 1.728 1.00 0.00 O ATOM 322 ND2 ASN A 19 -9.821 -10.767 1.377 1.00 0.00 N ATOM 0 H ASN A 19 -5.158 -10.049 2.038 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.900 -10.769 -0.196 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -6.926 -10.145 2.638 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -8.018 -9.015 1.861 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.528 -11.496 1.287 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -10.085 -9.786 1.281 1.00 0.00 H new ATOM 329 N ASN A 20 -7.890 -8.460 -0.919 1.00 0.00 N ATOM 330 CA ASN A 20 -8.095 -7.190 -1.672 1.00 0.00 C ATOM 331 C ASN A 20 -8.432 -6.055 -0.701 1.00 0.00 C ATOM 332 O ASN A 20 -7.785 -5.027 -0.682 1.00 0.00 O ATOM 333 CB ASN A 20 -9.277 -7.469 -2.601 1.00 0.00 C ATOM 334 CG ASN A 20 -8.862 -7.214 -4.051 1.00 0.00 C ATOM 335 OD1 ASN A 20 -8.485 -8.127 -4.757 1.00 0.00 O ATOM 336 ND2 ASN A 20 -8.915 -6.000 -4.527 1.00 0.00 N ATOM 0 H ASN A 20 -8.659 -9.127 -0.976 1.00 0.00 H new ATOM 0 HA ASN A 20 -7.206 -6.885 -2.224 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -9.609 -8.500 -2.483 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -10.120 -6.830 -2.336 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -8.640 -5.818 -5.492 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -9.232 -5.233 -3.934 1.00 0.00 H new ATOM 343 N LYS A 21 -9.440 -6.238 0.107 1.00 0.00 N ATOM 344 CA LYS A 21 -9.820 -5.173 1.079 1.00 0.00 C ATOM 345 C LYS A 21 -8.778 -5.087 2.198 1.00 0.00 C ATOM 346 O LYS A 21 -8.708 -4.114 2.921 1.00 0.00 O ATOM 347 CB LYS A 21 -11.174 -5.613 1.638 1.00 0.00 C ATOM 348 CG LYS A 21 -12.291 -4.847 0.926 1.00 0.00 C ATOM 349 CD LYS A 21 -13.645 -5.268 1.498 1.00 0.00 C ATOM 350 CE LYS A 21 -14.249 -4.106 2.292 1.00 0.00 C ATOM 351 NZ LYS A 21 -15.674 -4.045 1.862 1.00 0.00 N ATOM 0 H LYS A 21 -10.017 -7.079 0.137 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.872 -4.188 0.616 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.307 -6.686 1.497 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.215 -5.425 2.711 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.149 -3.774 1.053 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.259 -5.048 -0.145 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.318 -5.559 0.691 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.524 -6.139 2.143 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.168 -4.277 3.365 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.732 -3.171 2.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.155 -3.272 2.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.720 -3.875 0.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.143 -4.946 2.085 1.00 0.00 H new ATOM 365 N TYR A 22 -7.967 -6.099 2.346 1.00 0.00 N ATOM 366 CA TYR A 22 -6.931 -6.072 3.418 1.00 0.00 C ATOM 367 C TYR A 22 -6.025 -4.851 3.241 1.00 0.00 C ATOM 368 O TYR A 22 -5.445 -4.354 4.186 1.00 0.00 O ATOM 369 CB TYR A 22 -6.133 -7.364 3.232 1.00 0.00 C ATOM 370 CG TYR A 22 -6.611 -8.403 4.218 1.00 0.00 C ATOM 371 CD1 TYR A 22 -7.950 -8.417 4.628 1.00 0.00 C ATOM 372 CD2 TYR A 22 -5.715 -9.353 4.723 1.00 0.00 C ATOM 373 CE1 TYR A 22 -8.392 -9.382 5.542 1.00 0.00 C ATOM 374 CE2 TYR A 22 -6.158 -10.316 5.637 1.00 0.00 C ATOM 375 CZ TYR A 22 -7.496 -10.331 6.046 1.00 0.00 C ATOM 376 OH TYR A 22 -7.932 -11.281 6.947 1.00 0.00 O ATOM 0 H TYR A 22 -7.977 -6.942 1.772 1.00 0.00 H new ATOM 0 HA TYR A 22 -7.367 -6.004 4.415 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -6.252 -7.733 2.213 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -5.070 -7.171 3.379 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -8.642 -7.684 4.240 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.682 -9.343 4.407 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -9.425 -9.393 5.858 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.466 -11.048 6.027 1.00 0.00 H new ATOM 0 HH TYR A 22 -7.184 -11.863 7.196 1.00 0.00 H new ATOM 386 N CYS A 23 -5.896 -4.366 2.036 1.00 0.00 N ATOM 387 CA CYS A 23 -5.026 -3.179 1.798 1.00 0.00 C ATOM 388 C CYS A 23 -5.873 -1.904 1.741 1.00 0.00 C ATOM 389 O CYS A 23 -5.369 -0.807 1.878 1.00 0.00 O ATOM 390 CB CYS A 23 -4.359 -3.444 0.448 1.00 0.00 C ATOM 391 SG CYS A 23 -2.705 -2.711 0.440 1.00 0.00 S ATOM 0 H CYS A 23 -6.356 -4.740 1.206 1.00 0.00 H new ATOM 0 HA CYS A 23 -4.294 -3.036 2.593 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -4.294 -4.517 0.266 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -4.960 -3.020 -0.356 1.00 0.00 H new ATOM 396 N ASN A 24 -7.156 -2.040 1.544 1.00 0.00 N ATOM 397 CA ASN A 24 -8.034 -0.835 1.482 1.00 0.00 C ATOM 398 C ASN A 24 -8.189 -0.226 2.877 1.00 0.00 C ATOM 399 O ASN A 24 -8.177 0.977 3.041 1.00 0.00 O ATOM 400 CB ASN A 24 -9.378 -1.347 0.965 1.00 0.00 C ATOM 401 CG ASN A 24 -10.252 -0.162 0.550 1.00 0.00 C ATOM 402 OD1 ASN A 24 -9.754 0.842 0.083 1.00 0.00 O ATOM 403 ND2 ASN A 24 -11.547 -0.239 0.702 1.00 0.00 N ATOM 0 H ASN A 24 -7.635 -2.933 1.423 1.00 0.00 H new ATOM 0 HA ASN A 24 -7.624 -0.056 0.839 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -9.223 -2.013 0.116 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.879 -1.929 1.739 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -12.140 0.544 0.428 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -11.965 -1.083 1.094 1.00 0.00 H new ATOM 410 N ASP A 25 -8.330 -1.042 3.888 1.00 0.00 N ATOM 411 CA ASP A 25 -8.474 -0.492 5.267 1.00 0.00 C ATOM 412 C ASP A 25 -7.200 0.264 5.648 1.00 0.00 C ATOM 413 O ASP A 25 -7.246 1.377 6.131 1.00 0.00 O ATOM 414 CB ASP A 25 -8.670 -1.710 6.169 1.00 0.00 C ATOM 415 CG ASP A 25 -9.696 -1.380 7.255 1.00 0.00 C ATOM 416 OD1 ASP A 25 -10.876 -1.365 6.943 1.00 0.00 O ATOM 417 OD2 ASP A 25 -9.284 -1.146 8.380 1.00 0.00 O ATOM 0 H ASP A 25 -8.352 -2.059 3.819 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.307 0.206 5.356 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.010 -2.562 5.580 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.722 -1.995 6.624 1.00 0.00 H new ATOM 422 N LEU A 26 -6.060 -0.331 5.418 1.00 0.00 N ATOM 423 CA LEU A 26 -4.781 0.358 5.749 1.00 0.00 C ATOM 424 C LEU A 26 -4.611 1.574 4.840 1.00 0.00 C ATOM 425 O LEU A 26 -4.239 2.643 5.278 1.00 0.00 O ATOM 426 CB LEU A 26 -3.687 -0.676 5.474 1.00 0.00 C ATOM 427 CG LEU A 26 -2.967 -1.021 6.778 1.00 0.00 C ATOM 428 CD1 LEU A 26 -2.251 -2.363 6.625 1.00 0.00 C ATOM 429 CD2 LEU A 26 -1.940 0.069 7.098 1.00 0.00 C ATOM 0 H LEU A 26 -5.960 -1.263 5.016 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.748 0.712 6.779 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.124 -1.575 5.039 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.976 -0.283 4.747 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.694 -1.086 7.588 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.737 -2.609 7.554 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.980 -3.140 6.396 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.524 -2.297 5.815 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.426 -0.177 8.028 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.213 0.133 6.288 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.448 1.027 7.206 1.00 0.00 H new ATOM 441 N CYS A 27 -4.896 1.419 3.576 1.00 0.00 N ATOM 442 CA CYS A 27 -4.763 2.569 2.643 1.00 0.00 C ATOM 443 C CYS A 27 -5.688 3.699 3.094 1.00 0.00 C ATOM 444 O CYS A 27 -5.334 4.860 3.051 1.00 0.00 O ATOM 445 CB CYS A 27 -5.189 2.025 1.278 1.00 0.00 C ATOM 446 SG CYS A 27 -3.738 1.354 0.427 1.00 0.00 S ATOM 0 H CYS A 27 -5.214 0.548 3.152 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.752 2.974 2.611 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.944 1.249 1.402 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.641 2.818 0.682 1.00 0.00 H new ATOM 451 N LYS A 28 -6.869 3.367 3.540 1.00 0.00 N ATOM 452 CA LYS A 28 -7.809 4.423 4.007 1.00 0.00 C ATOM 453 C LYS A 28 -7.178 5.190 5.167 1.00 0.00 C ATOM 454 O LYS A 28 -7.420 6.366 5.352 1.00 0.00 O ATOM 455 CB LYS A 28 -9.057 3.675 4.474 1.00 0.00 C ATOM 456 CG LYS A 28 -10.223 3.996 3.538 1.00 0.00 C ATOM 457 CD LYS A 28 -10.996 2.712 3.232 1.00 0.00 C ATOM 458 CE LYS A 28 -12.256 2.655 4.099 1.00 0.00 C ATOM 459 NZ LYS A 28 -13.338 2.218 3.174 1.00 0.00 N ATOM 0 H LYS A 28 -7.222 2.412 3.601 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.046 5.146 3.227 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.869 2.601 4.483 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.306 3.963 5.495 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.883 4.730 4.000 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -9.851 4.439 2.614 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.266 2.681 2.177 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.368 1.842 3.426 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.136 1.954 4.925 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.479 3.628 4.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.236 2.155 3.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.434 2.908 2.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.101 1.286 2.778 1.00 0.00 H new ATOM 473 N GLY A 29 -6.357 4.535 5.942 1.00 0.00 N ATOM 474 CA GLY A 29 -5.696 5.236 7.077 1.00 0.00 C ATOM 475 C GLY A 29 -4.832 6.350 6.497 1.00 0.00 C ATOM 476 O GLY A 29 -4.654 7.395 7.090 1.00 0.00 O ATOM 0 H GLY A 29 -6.117 3.549 5.838 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.441 5.646 7.759 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.086 4.540 7.653 1.00 0.00 H new ATOM 480 N LEU A 30 -4.310 6.132 5.321 1.00 0.00 N ATOM 481 CA LEU A 30 -3.471 7.171 4.664 1.00 0.00 C ATOM 482 C LEU A 30 -4.358 8.050 3.781 1.00 0.00 C ATOM 483 O LEU A 30 -3.891 8.730 2.893 1.00 0.00 O ATOM 484 CB LEU A 30 -2.464 6.394 3.815 1.00 0.00 C ATOM 485 CG LEU A 30 -1.758 5.353 4.685 1.00 0.00 C ATOM 486 CD1 LEU A 30 -1.606 4.050 3.898 1.00 0.00 C ATOM 487 CD2 LEU A 30 -0.374 5.873 5.079 1.00 0.00 C ATOM 0 H LEU A 30 -4.430 5.273 4.785 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.969 7.824 5.378 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.973 5.904 2.985 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.733 7.077 3.382 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.348 5.169 5.583 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.103 3.307 4.517 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.591 3.679 3.615 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.016 4.234 3.000 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.130 5.132 5.699 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.215 6.056 4.180 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.480 6.802 5.638 1.00 0.00 H new ATOM 499 N LYS A 31 -5.642 8.027 4.029 1.00 0.00 N ATOM 500 CA LYS A 31 -6.598 8.847 3.225 1.00 0.00 C ATOM 501 C LYS A 31 -6.778 8.262 1.822 1.00 0.00 C ATOM 502 O LYS A 31 -7.324 8.901 0.946 1.00 0.00 O ATOM 503 CB LYS A 31 -5.981 10.245 3.146 1.00 0.00 C ATOM 504 CG LYS A 31 -7.058 11.246 2.726 1.00 0.00 C ATOM 505 CD LYS A 31 -7.332 12.219 3.875 1.00 0.00 C ATOM 506 CE LYS A 31 -7.835 13.548 3.304 1.00 0.00 C ATOM 507 NZ LYS A 31 -8.716 14.122 4.363 1.00 0.00 N ATOM 0 H LYS A 31 -6.075 7.468 4.764 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.586 8.865 3.684 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.563 10.526 4.113 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.160 10.253 2.429 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.734 11.794 1.841 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.973 10.719 2.457 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.073 11.798 4.554 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.423 12.380 4.455 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.006 14.218 3.076 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.385 13.394 2.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.097 15.035 4.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.501 13.467 4.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.165 14.265 5.233 1.00 0.00 H new ATOM 521 N ALA A 32 -6.336 7.054 1.595 1.00 0.00 N ATOM 522 CA ALA A 32 -6.500 6.455 0.241 1.00 0.00 C ATOM 523 C ALA A 32 -7.806 5.655 0.177 1.00 0.00 C ATOM 524 O ALA A 32 -7.803 4.440 0.169 1.00 0.00 O ATOM 525 CB ALA A 32 -5.292 5.536 0.063 1.00 0.00 C ATOM 0 H ALA A 32 -5.872 6.461 2.283 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.551 7.209 -0.544 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.341 5.056 -0.914 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.376 6.122 0.134 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.297 4.774 0.842 1.00 0.00 H new ATOM 531 N ASP A 33 -8.922 6.331 0.137 1.00 0.00 N ATOM 532 CA ASP A 33 -10.231 5.617 0.081 1.00 0.00 C ATOM 533 C ASP A 33 -10.166 4.462 -0.919 1.00 0.00 C ATOM 534 O ASP A 33 -10.326 3.310 -0.564 1.00 0.00 O ATOM 535 CB ASP A 33 -11.237 6.670 -0.380 1.00 0.00 C ATOM 536 CG ASP A 33 -11.603 7.573 0.800 1.00 0.00 C ATOM 537 OD1 ASP A 33 -12.145 7.062 1.766 1.00 0.00 O ATOM 538 OD2 ASP A 33 -11.333 8.760 0.720 1.00 0.00 O ATOM 0 H ASP A 33 -8.984 7.349 0.141 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.505 5.185 1.043 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.813 7.264 -1.189 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -12.131 6.187 -0.774 1.00 0.00 H new ATOM 543 N SER A 34 -9.934 4.761 -2.164 1.00 0.00 N ATOM 544 CA SER A 34 -9.858 3.680 -3.190 1.00 0.00 C ATOM 545 C SER A 34 -8.542 2.912 -3.046 1.00 0.00 C ATOM 546 O SER A 34 -7.572 3.193 -3.721 1.00 0.00 O ATOM 547 CB SER A 34 -9.912 4.404 -4.534 1.00 0.00 C ATOM 548 OG SER A 34 -11.091 4.019 -5.227 1.00 0.00 O ATOM 0 H SER A 34 -9.793 5.707 -2.519 1.00 0.00 H new ATOM 0 HA SER A 34 -10.664 2.954 -3.088 1.00 0.00 H new ATOM 0 HB2 SER A 34 -9.903 5.483 -4.380 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.031 4.160 -5.128 1.00 0.00 H new ATOM 0 HG SER A 34 -11.130 4.483 -6.089 1.00 0.00 H new ATOM 554 N GLY A 35 -8.498 1.948 -2.168 1.00 0.00 N ATOM 555 CA GLY A 35 -7.243 1.170 -1.981 1.00 0.00 C ATOM 556 C GLY A 35 -7.518 -0.322 -2.173 1.00 0.00 C ATOM 557 O GLY A 35 -8.254 -0.930 -1.422 1.00 0.00 O ATOM 0 H GLY A 35 -9.277 1.666 -1.573 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.489 1.504 -2.694 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.840 1.348 -0.984 1.00 0.00 H new ATOM 561 N TYR A 36 -6.925 -0.918 -3.172 1.00 0.00 N ATOM 562 CA TYR A 36 -7.145 -2.374 -3.411 1.00 0.00 C ATOM 563 C TYR A 36 -5.823 -3.043 -3.798 1.00 0.00 C ATOM 564 O TYR A 36 -4.970 -2.442 -4.420 1.00 0.00 O ATOM 565 CB TYR A 36 -8.148 -2.444 -4.564 1.00 0.00 C ATOM 566 CG TYR A 36 -7.483 -2.004 -5.845 1.00 0.00 C ATOM 567 CD1 TYR A 36 -6.599 -2.865 -6.506 1.00 0.00 C ATOM 568 CD2 TYR A 36 -7.751 -0.737 -6.376 1.00 0.00 C ATOM 569 CE1 TYR A 36 -5.983 -2.460 -7.696 1.00 0.00 C ATOM 570 CE2 TYR A 36 -7.136 -0.330 -7.566 1.00 0.00 C ATOM 571 CZ TYR A 36 -6.252 -1.192 -8.225 1.00 0.00 C ATOM 572 OH TYR A 36 -5.645 -0.793 -9.398 1.00 0.00 O ATOM 0 H TYR A 36 -6.298 -0.460 -3.833 1.00 0.00 H new ATOM 0 HA TYR A 36 -7.517 -2.890 -2.526 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -8.525 -3.461 -4.670 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -9.006 -1.807 -4.351 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -6.392 -3.843 -6.097 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -8.433 -0.072 -5.867 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -5.301 -3.125 -8.205 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -7.343 0.648 -7.975 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.267 0.104 -9.282 1.00 0.00 H new ATOM 582 N CYS A 37 -5.642 -4.281 -3.427 1.00 0.00 N ATOM 583 CA CYS A 37 -4.370 -4.985 -3.767 1.00 0.00 C ATOM 584 C CYS A 37 -4.569 -5.894 -4.982 1.00 0.00 C ATOM 585 O CYS A 37 -5.578 -6.559 -5.114 1.00 0.00 O ATOM 586 CB CYS A 37 -4.039 -5.816 -2.527 1.00 0.00 C ATOM 587 SG CYS A 37 -2.404 -5.348 -1.907 1.00 0.00 S ATOM 0 H CYS A 37 -6.319 -4.836 -2.903 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.571 -4.290 -4.023 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -4.792 -5.654 -1.756 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.057 -6.878 -2.772 1.00 0.00 H new ATOM 592 N TRP A 38 -3.610 -5.935 -5.868 1.00 0.00 N ATOM 593 CA TRP A 38 -3.742 -6.808 -7.069 1.00 0.00 C ATOM 594 C TRP A 38 -3.411 -8.255 -6.692 1.00 0.00 C ATOM 595 O TRP A 38 -2.263 -8.615 -6.518 1.00 0.00 O ATOM 596 CB TRP A 38 -2.720 -6.266 -8.069 1.00 0.00 C ATOM 597 CG TRP A 38 -3.108 -6.678 -9.453 1.00 0.00 C ATOM 598 CD1 TRP A 38 -2.399 -7.520 -10.241 1.00 0.00 C ATOM 599 CD2 TRP A 38 -4.278 -6.284 -10.226 1.00 0.00 C ATOM 600 NE1 TRP A 38 -3.060 -7.666 -11.447 1.00 0.00 N ATOM 601 CE2 TRP A 38 -4.223 -6.924 -11.486 1.00 0.00 C ATOM 602 CE3 TRP A 38 -5.371 -5.439 -9.959 1.00 0.00 C ATOM 603 CZ2 TRP A 38 -5.217 -6.735 -12.447 1.00 0.00 C ATOM 604 CZ3 TRP A 38 -6.373 -5.246 -10.923 1.00 0.00 C ATOM 605 CH2 TRP A 38 -6.296 -5.893 -12.165 1.00 0.00 C ATOM 0 H TRP A 38 -2.742 -5.402 -5.812 1.00 0.00 H new ATOM 0 HA TRP A 38 -4.751 -6.803 -7.482 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -2.671 -5.179 -8.002 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -1.726 -6.645 -7.831 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -1.469 -7.999 -9.972 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -2.728 -8.251 -12.214 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -5.439 -4.936 -9.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -5.153 -7.236 -13.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -7.208 -4.596 -10.707 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -7.070 -5.741 -12.903 1.00 0.00 H new ATOM 616 N GLY A 39 -4.409 -9.082 -6.552 1.00 0.00 N ATOM 617 CA GLY A 39 -4.155 -10.499 -6.171 1.00 0.00 C ATOM 618 C GLY A 39 -3.425 -11.228 -7.299 1.00 0.00 C ATOM 619 O GLY A 39 -3.950 -12.144 -7.900 1.00 0.00 O ATOM 0 H GLY A 39 -5.390 -8.838 -6.685 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.559 -10.536 -5.259 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.099 -11.000 -5.956 1.00 0.00 H new ATOM 623 N TRP A 40 -2.215 -10.836 -7.585 1.00 0.00 N ATOM 624 CA TRP A 40 -1.450 -11.517 -8.666 1.00 0.00 C ATOM 625 C TRP A 40 0.044 -11.245 -8.496 1.00 0.00 C ATOM 626 O TRP A 40 0.823 -12.138 -8.225 1.00 0.00 O ATOM 627 CB TRP A 40 -1.963 -10.907 -9.972 1.00 0.00 C ATOM 628 CG TRP A 40 -1.124 -11.386 -11.111 1.00 0.00 C ATOM 629 CD1 TRP A 40 -0.707 -10.615 -12.141 1.00 0.00 C ATOM 630 CD2 TRP A 40 -0.595 -12.722 -11.359 1.00 0.00 C ATOM 631 NE1 TRP A 40 0.043 -11.392 -13.004 1.00 0.00 N ATOM 632 CE2 TRP A 40 0.143 -12.697 -12.565 1.00 0.00 C ATOM 633 CE3 TRP A 40 -0.683 -13.943 -10.661 1.00 0.00 C ATOM 634 CZ2 TRP A 40 0.772 -13.839 -13.063 1.00 0.00 C ATOM 635 CZ3 TRP A 40 -0.050 -15.094 -11.159 1.00 0.00 C ATOM 636 CH2 TRP A 40 0.676 -15.042 -12.357 1.00 0.00 C ATOM 0 H TRP A 40 -1.723 -10.074 -7.118 1.00 0.00 H new ATOM 0 HA TRP A 40 -1.585 -12.599 -8.649 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -3.004 -11.186 -10.131 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -1.930 -9.819 -9.915 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -0.924 -9.565 -12.268 1.00 0.00 H new ATOM 0 HE1 TRP A 40 0.471 -11.043 -13.862 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.241 -13.994 -9.737 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 1.329 -13.794 -13.987 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -0.123 -16.024 -10.616 1.00 0.00 H new ATOM 0 HH2 TRP A 40 1.161 -15.930 -12.734 1.00 0.00 H new ATOM 647 N THR A 41 0.444 -10.016 -8.649 1.00 0.00 N ATOM 648 CA THR A 41 1.885 -9.670 -8.495 1.00 0.00 C ATOM 649 C THR A 41 2.097 -8.182 -8.782 1.00 0.00 C ATOM 650 O THR A 41 3.100 -7.784 -9.340 1.00 0.00 O ATOM 651 CB THR A 41 2.616 -10.524 -9.535 1.00 0.00 C ATOM 652 OG1 THR A 41 3.988 -10.157 -9.564 1.00 0.00 O ATOM 653 CG2 THR A 41 1.994 -10.294 -10.913 1.00 0.00 C ATOM 0 H THR A 41 -0.167 -9.231 -8.875 1.00 0.00 H new ATOM 0 HA THR A 41 2.250 -9.860 -7.486 1.00 0.00 H new ATOM 0 HB THR A 41 2.527 -11.578 -9.271 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.066 -9.198 -9.749 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.514 -10.902 -11.653 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.941 -10.575 -10.888 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.083 -9.241 -11.181 1.00 0.00 H new ATOM 661 N LEU A 42 1.159 -7.353 -8.408 1.00 0.00 N ATOM 662 CA LEU A 42 1.315 -5.892 -8.669 1.00 0.00 C ATOM 663 C LEU A 42 1.316 -5.110 -7.352 1.00 0.00 C ATOM 664 O LEU A 42 1.066 -3.922 -7.329 1.00 0.00 O ATOM 665 CB LEU A 42 0.103 -5.510 -9.517 1.00 0.00 C ATOM 666 CG LEU A 42 0.474 -5.575 -10.999 1.00 0.00 C ATOM 667 CD1 LEU A 42 -0.731 -5.162 -11.846 1.00 0.00 C ATOM 668 CD2 LEU A 42 1.639 -4.620 -11.275 1.00 0.00 C ATOM 0 H LEU A 42 0.296 -7.622 -7.936 1.00 0.00 H new ATOM 0 HA LEU A 42 2.255 -5.663 -9.171 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.727 -6.186 -9.309 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.232 -4.505 -9.259 1.00 0.00 H new ATOM 0 HG LEU A 42 0.767 -6.593 -11.255 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.466 -5.208 -12.902 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.563 -5.839 -11.650 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.024 -4.144 -11.590 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.904 -4.666 -12.331 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.344 -3.603 -11.018 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.499 -4.911 -10.672 1.00 0.00 H new ATOM 680 N SER A 43 1.598 -5.762 -6.257 1.00 0.00 N ATOM 681 CA SER A 43 1.614 -5.045 -4.954 1.00 0.00 C ATOM 682 C SER A 43 0.274 -4.346 -4.720 1.00 0.00 C ATOM 683 O SER A 43 -0.680 -4.552 -5.443 1.00 0.00 O ATOM 684 CB SER A 43 2.738 -4.020 -5.083 1.00 0.00 C ATOM 685 OG SER A 43 3.857 -4.629 -5.715 1.00 0.00 O ATOM 0 H SER A 43 1.817 -6.757 -6.210 1.00 0.00 H new ATOM 0 HA SER A 43 1.771 -5.719 -4.112 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.399 -3.163 -5.664 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.020 -3.646 -4.099 1.00 0.00 H new ATOM 0 HG SER A 43 4.581 -3.974 -5.801 1.00 0.00 H new ATOM 691 N CYS A 44 0.197 -3.520 -3.715 1.00 0.00 N ATOM 692 CA CYS A 44 -1.080 -2.807 -3.432 1.00 0.00 C ATOM 693 C CYS A 44 -1.247 -1.620 -4.382 1.00 0.00 C ATOM 694 O CYS A 44 -0.304 -1.171 -5.004 1.00 0.00 O ATOM 695 CB CYS A 44 -0.946 -2.322 -1.988 1.00 0.00 C ATOM 696 SG CYS A 44 -2.569 -1.818 -1.367 1.00 0.00 S ATOM 0 H CYS A 44 0.964 -3.307 -3.077 1.00 0.00 H new ATOM 0 HA CYS A 44 -1.951 -3.448 -3.571 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -0.536 -3.116 -1.363 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.250 -1.485 -1.938 1.00 0.00 H new ATOM 701 N TYR A 45 -2.440 -1.105 -4.495 1.00 0.00 N ATOM 702 CA TYR A 45 -2.669 0.056 -5.402 1.00 0.00 C ATOM 703 C TYR A 45 -3.779 0.948 -4.839 1.00 0.00 C ATOM 704 O TYR A 45 -4.951 0.661 -4.982 1.00 0.00 O ATOM 705 CB TYR A 45 -3.097 -0.557 -6.735 1.00 0.00 C ATOM 706 CG TYR A 45 -3.171 0.526 -7.784 1.00 0.00 C ATOM 707 CD1 TYR A 45 -4.348 1.269 -7.942 1.00 0.00 C ATOM 708 CD2 TYR A 45 -2.063 0.789 -8.597 1.00 0.00 C ATOM 709 CE1 TYR A 45 -4.415 2.273 -8.915 1.00 0.00 C ATOM 710 CE2 TYR A 45 -2.130 1.793 -9.570 1.00 0.00 C ATOM 711 CZ TYR A 45 -3.306 2.536 -9.728 1.00 0.00 C ATOM 712 OH TYR A 45 -3.371 3.526 -10.687 1.00 0.00 O ATOM 0 H TYR A 45 -3.267 -1.438 -3.999 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.781 0.679 -5.510 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -2.386 -1.325 -7.039 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.067 -1.043 -6.630 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -5.203 1.067 -7.314 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.155 0.217 -8.474 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -5.323 2.845 -9.039 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.275 1.994 -10.198 1.00 0.00 H new ATOM 0 HH TYR A 45 -2.515 3.578 -11.162 1.00 0.00 H new ATOM 722 N CYS A 46 -3.421 2.028 -4.199 1.00 0.00 N ATOM 723 CA CYS A 46 -4.460 2.933 -3.627 1.00 0.00 C ATOM 724 C CYS A 46 -4.293 4.352 -4.179 1.00 0.00 C ATOM 725 O CYS A 46 -3.200 4.788 -4.479 1.00 0.00 O ATOM 726 CB CYS A 46 -4.216 2.917 -2.118 1.00 0.00 C ATOM 727 SG CYS A 46 -4.307 1.216 -1.505 1.00 0.00 S ATOM 0 H CYS A 46 -2.456 2.323 -4.047 1.00 0.00 H new ATOM 0 HA CYS A 46 -5.469 2.609 -3.881 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -3.238 3.343 -1.893 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -4.957 3.536 -1.613 1.00 0.00 H new ATOM 732 N GLN A 47 -5.372 5.075 -4.310 1.00 0.00 N ATOM 733 CA GLN A 47 -5.278 6.468 -4.836 1.00 0.00 C ATOM 734 C GLN A 47 -6.067 7.419 -3.933 1.00 0.00 C ATOM 735 O GLN A 47 -7.138 7.094 -3.459 1.00 0.00 O ATOM 736 CB GLN A 47 -5.902 6.414 -6.231 1.00 0.00 C ATOM 737 CG GLN A 47 -5.388 5.182 -6.977 1.00 0.00 C ATOM 738 CD GLN A 47 -6.260 3.974 -6.628 1.00 0.00 C ATOM 739 OE1 GLN A 47 -5.771 2.980 -6.130 1.00 0.00 O ATOM 740 NE2 GLN A 47 -7.541 4.019 -6.871 1.00 0.00 N ATOM 0 H GLN A 47 -6.314 4.762 -4.076 1.00 0.00 H new ATOM 0 HA GLN A 47 -4.250 6.830 -4.868 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.989 6.377 -6.153 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.653 7.318 -6.787 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -5.408 5.360 -8.052 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.351 4.986 -6.706 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -7.952 4.854 -7.289 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -8.132 3.219 -6.643 1.00 0.00 H new ATOM 749 N GLY A 48 -5.549 8.591 -3.688 1.00 0.00 N ATOM 750 CA GLY A 48 -6.275 9.555 -2.813 1.00 0.00 C ATOM 751 C GLY A 48 -5.508 9.728 -1.502 1.00 0.00 C ATOM 752 O GLY A 48 -6.049 10.166 -0.508 1.00 0.00 O ATOM 0 H GLY A 48 -4.657 8.923 -4.055 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.376 10.516 -3.317 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -7.283 9.193 -2.612 1.00 0.00 H new ATOM 756 N LEU A 49 -4.246 9.400 -1.496 1.00 0.00 N ATOM 757 CA LEU A 49 -3.446 9.561 -0.242 1.00 0.00 C ATOM 758 C LEU A 49 -2.632 10.857 -0.313 1.00 0.00 C ATOM 759 O LEU A 49 -2.541 11.471 -1.354 1.00 0.00 O ATOM 760 CB LEU A 49 -2.518 8.330 -0.133 1.00 0.00 C ATOM 761 CG LEU A 49 -2.175 7.755 -1.515 1.00 0.00 C ATOM 762 CD1 LEU A 49 -0.878 6.949 -1.426 1.00 0.00 C ATOM 763 CD2 LEU A 49 -3.308 6.831 -1.975 1.00 0.00 C ATOM 0 H LEU A 49 -3.734 9.030 -2.297 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.090 9.624 0.635 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.600 8.611 0.383 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.001 7.562 0.471 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.051 8.572 -2.226 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.635 6.541 -2.407 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.068 7.598 -1.092 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.005 6.133 -0.715 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.068 6.421 -2.956 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.426 6.016 -1.260 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.237 7.397 -2.036 1.00 0.00 H new ATOM 775 N PRO A 50 -2.075 11.241 0.804 1.00 0.00 N ATOM 776 CA PRO A 50 -1.272 12.490 0.863 1.00 0.00 C ATOM 777 C PRO A 50 0.047 12.319 0.106 1.00 0.00 C ATOM 778 O PRO A 50 0.491 11.217 -0.149 1.00 0.00 O ATOM 779 CB PRO A 50 -1.022 12.682 2.357 1.00 0.00 C ATOM 780 CG PRO A 50 -1.139 11.313 2.945 1.00 0.00 C ATOM 781 CD PRO A 50 -2.138 10.563 2.103 1.00 0.00 C ATOM 0 HA PRO A 50 -1.773 13.343 0.405 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.036 13.108 2.541 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -1.751 13.364 2.795 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.174 10.807 2.942 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.469 11.365 3.983 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -1.878 9.508 2.017 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -3.139 10.611 2.532 1.00 0.00 H new ATOM 789 N ASP A 51 0.679 13.403 -0.254 1.00 0.00 N ATOM 790 CA ASP A 51 1.971 13.300 -0.991 1.00 0.00 C ATOM 791 C ASP A 51 3.007 12.591 -0.119 1.00 0.00 C ATOM 792 O ASP A 51 4.022 12.123 -0.596 1.00 0.00 O ATOM 793 CB ASP A 51 2.390 14.747 -1.261 1.00 0.00 C ATOM 794 CG ASP A 51 3.872 14.789 -1.638 1.00 0.00 C ATOM 795 OD1 ASP A 51 4.192 14.403 -2.749 1.00 0.00 O ATOM 796 OD2 ASP A 51 4.661 15.210 -0.808 1.00 0.00 O ATOM 0 H ASP A 51 0.358 14.353 -0.070 1.00 0.00 H new ATOM 0 HA ASP A 51 1.883 12.728 -1.914 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.787 15.167 -2.066 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.212 15.359 -0.377 1.00 0.00 H new ATOM 801 N ASN A 52 2.753 12.505 1.156 1.00 0.00 N ATOM 802 CA ASN A 52 3.714 11.822 2.065 1.00 0.00 C ATOM 803 C ASN A 52 3.301 10.362 2.259 1.00 0.00 C ATOM 804 O ASN A 52 3.765 9.687 3.158 1.00 0.00 O ATOM 805 CB ASN A 52 3.620 12.589 3.385 1.00 0.00 C ATOM 806 CG ASN A 52 4.869 12.320 4.224 1.00 0.00 C ATOM 807 OD1 ASN A 52 4.989 11.281 4.841 1.00 0.00 O ATOM 808 ND2 ASN A 52 5.814 13.220 4.274 1.00 0.00 N ATOM 0 H ASN A 52 1.919 12.879 1.609 1.00 0.00 H new ATOM 0 HA ASN A 52 4.730 11.816 1.671 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.523 13.657 3.191 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.729 12.283 3.933 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.652 13.050 4.831 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.715 14.093 3.756 1.00 0.00 H new ATOM 815 N ALA A 53 2.427 9.869 1.422 1.00 0.00 N ATOM 816 CA ALA A 53 1.981 8.452 1.558 1.00 0.00 C ATOM 817 C ALA A 53 3.187 7.510 1.524 1.00 0.00 C ATOM 818 O ALA A 53 4.183 7.785 0.886 1.00 0.00 O ATOM 819 CB ALA A 53 1.075 8.202 0.353 1.00 0.00 C ATOM 0 H ALA A 53 2.003 10.386 0.651 1.00 0.00 H new ATOM 0 HA ALA A 53 1.464 8.273 2.501 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.706 7.177 0.382 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.232 8.892 0.382 1.00 0.00 H new ATOM 0 HB3 ALA A 53 1.640 8.358 -0.566 1.00 0.00 H new ATOM 825 N ARG A 54 3.103 6.399 2.205 1.00 0.00 N ATOM 826 CA ARG A 54 4.247 5.441 2.209 1.00 0.00 C ATOM 827 C ARG A 54 4.076 4.406 1.093 1.00 0.00 C ATOM 828 O ARG A 54 3.512 3.349 1.294 1.00 0.00 O ATOM 829 CB ARG A 54 4.195 4.767 3.581 1.00 0.00 C ATOM 830 CG ARG A 54 5.357 5.270 4.439 1.00 0.00 C ATOM 831 CD ARG A 54 5.352 4.550 5.788 1.00 0.00 C ATOM 832 NE ARG A 54 3.964 4.704 6.298 1.00 0.00 N ATOM 833 CZ ARG A 54 3.227 3.650 6.500 1.00 0.00 C ATOM 834 NH1 ARG A 54 3.362 2.605 5.730 1.00 0.00 N ATOM 835 NH2 ARG A 54 2.358 3.639 7.472 1.00 0.00 N ATOM 0 H ARG A 54 2.294 6.113 2.757 1.00 0.00 H new ATOM 0 HA ARG A 54 5.202 5.937 2.036 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.246 4.986 4.070 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.253 3.684 3.469 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.303 5.095 3.926 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.271 6.346 4.590 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.617 3.499 5.676 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.076 4.990 6.474 1.00 0.00 H new ATOM 0 HE ARG A 54 3.590 5.633 6.489 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.044 2.615 4.972 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.786 1.778 5.887 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.256 4.456 8.074 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.780 2.813 7.630 1.00 0.00 H new ATOM 849 N ILE A 55 4.565 4.699 -0.084 1.00 0.00 N ATOM 850 CA ILE A 55 4.437 3.728 -1.212 1.00 0.00 C ATOM 851 C ILE A 55 5.790 3.552 -1.908 1.00 0.00 C ATOM 852 O ILE A 55 6.644 4.414 -1.852 1.00 0.00 O ATOM 853 CB ILE A 55 3.412 4.334 -2.185 1.00 0.00 C ATOM 854 CG1 ILE A 55 4.020 5.550 -2.903 1.00 0.00 C ATOM 855 CG2 ILE A 55 2.147 4.754 -1.431 1.00 0.00 C ATOM 856 CD1 ILE A 55 4.105 6.750 -1.954 1.00 0.00 C ATOM 0 H ILE A 55 5.047 5.568 -0.313 1.00 0.00 H new ATOM 0 HA ILE A 55 4.118 2.747 -0.861 1.00 0.00 H new ATOM 0 HB ILE A 55 3.147 3.579 -2.925 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.015 5.301 -3.273 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.413 5.808 -3.771 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.430 5.181 -2.132 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.706 3.883 -0.947 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.403 5.497 -0.676 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.538 7.600 -2.481 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.105 7.010 -1.605 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.732 6.495 -1.100 1.00 0.00 H new ATOM 868 N LYS A 56 5.991 2.441 -2.565 1.00 0.00 N ATOM 869 CA LYS A 56 7.288 2.212 -3.264 1.00 0.00 C ATOM 870 C LYS A 56 8.454 2.668 -2.383 1.00 0.00 C ATOM 871 O LYS A 56 9.263 3.483 -2.780 1.00 0.00 O ATOM 872 CB LYS A 56 7.208 3.064 -4.532 1.00 0.00 C ATOM 873 CG LYS A 56 6.228 2.419 -5.515 1.00 0.00 C ATOM 874 CD LYS A 56 6.381 3.066 -6.892 1.00 0.00 C ATOM 875 CE LYS A 56 5.001 3.456 -7.428 1.00 0.00 C ATOM 876 NZ LYS A 56 5.119 4.896 -7.787 1.00 0.00 N ATOM 0 H LYS A 56 5.314 1.683 -2.648 1.00 0.00 H new ATOM 0 HA LYS A 56 7.456 1.159 -3.489 1.00 0.00 H new ATOM 0 HB2 LYS A 56 6.881 4.074 -4.285 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.194 3.151 -4.988 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.417 1.348 -5.583 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.206 2.540 -5.157 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.019 3.947 -6.823 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.868 2.374 -7.579 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.730 2.854 -8.295 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.227 3.299 -6.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.211 5.236 -8.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.371 5.445 -6.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.858 5.014 -8.509 1.00 0.00 H new ATOM 890 N ARG A 57 8.547 2.147 -1.190 1.00 0.00 N ATOM 891 CA ARG A 57 9.661 2.550 -0.285 1.00 0.00 C ATOM 892 C ARG A 57 10.886 1.665 -0.522 1.00 0.00 C ATOM 893 O ARG A 57 11.942 1.887 0.036 1.00 0.00 O ATOM 894 CB ARG A 57 9.120 2.338 1.127 1.00 0.00 C ATOM 895 CG ARG A 57 10.074 2.982 2.133 1.00 0.00 C ATOM 896 CD ARG A 57 10.761 1.893 2.960 1.00 0.00 C ATOM 897 NE ARG A 57 9.660 1.227 3.707 1.00 0.00 N ATOM 898 CZ ARG A 57 8.932 1.914 4.545 1.00 0.00 C ATOM 899 NH1 ARG A 57 9.469 2.398 5.630 1.00 0.00 N ATOM 900 NH2 ARG A 57 7.667 2.114 4.296 1.00 0.00 N ATOM 0 H ARG A 57 7.900 1.460 -0.803 1.00 0.00 H new ATOM 0 HA ARG A 57 9.975 3.580 -0.455 1.00 0.00 H new ATOM 0 HB2 ARG A 57 8.126 2.776 1.218 1.00 0.00 H new ATOM 0 HB3 ARG A 57 9.019 1.273 1.334 1.00 0.00 H new ATOM 0 HG2 ARG A 57 10.820 3.580 1.610 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.525 3.658 2.788 1.00 0.00 H new ATOM 0 HD2 ARG A 57 11.289 1.185 2.321 1.00 0.00 H new ATOM 0 HD3 ARG A 57 11.498 2.320 3.640 1.00 0.00 H new ATOM 0 HE ARG A 57 9.474 0.234 3.564 1.00 0.00 H new ATOM 0 HH11 ARG A 57 10.458 2.240 5.824 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.900 2.935 6.285 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.248 1.734 3.447 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.097 2.651 4.950 1.00 0.00 H new ATOM 914 N SER A 58 10.751 0.663 -1.342 1.00 0.00 N ATOM 915 CA SER A 58 11.906 -0.238 -1.614 1.00 0.00 C ATOM 916 C SER A 58 12.423 -0.841 -0.305 1.00 0.00 C ATOM 917 O SER A 58 11.989 -0.478 0.771 1.00 0.00 O ATOM 918 CB SER A 58 12.964 0.663 -2.246 1.00 0.00 C ATOM 919 OG SER A 58 13.500 0.027 -3.400 1.00 0.00 O ATOM 0 H SER A 58 9.891 0.428 -1.837 1.00 0.00 H new ATOM 0 HA SER A 58 11.640 -1.072 -2.263 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.525 1.623 -2.518 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.758 0.868 -1.528 1.00 0.00 H new ATOM 0 HG SER A 58 14.178 0.606 -3.807 1.00 0.00 H new ATOM 925 N GLY A 59 13.347 -1.758 -0.387 1.00 0.00 N ATOM 926 CA GLY A 59 13.890 -2.382 0.853 1.00 0.00 C ATOM 927 C GLY A 59 13.252 -3.757 1.054 1.00 0.00 C ATOM 928 O GLY A 59 12.052 -3.919 0.948 1.00 0.00 O ATOM 0 H GLY A 59 13.750 -2.102 -1.259 1.00 0.00 H new ATOM 0 HA2 GLY A 59 14.973 -2.479 0.780 1.00 0.00 H new ATOM 0 HA3 GLY A 59 13.685 -1.745 1.713 1.00 0.00 H new ATOM 932 N ARG A 60 14.046 -4.753 1.341 1.00 0.00 N ATOM 933 CA ARG A 60 13.484 -6.118 1.547 1.00 0.00 C ATOM 934 C ARG A 60 12.718 -6.181 2.871 1.00 0.00 C ATOM 935 O ARG A 60 12.727 -5.250 3.650 1.00 0.00 O ATOM 936 CB ARG A 60 14.700 -7.045 1.589 1.00 0.00 C ATOM 937 CG ARG A 60 14.990 -7.571 0.183 1.00 0.00 C ATOM 938 CD ARG A 60 16.126 -6.758 -0.441 1.00 0.00 C ATOM 939 NE ARG A 60 15.535 -6.149 -1.665 1.00 0.00 N ATOM 940 CZ ARG A 60 16.114 -6.318 -2.822 1.00 0.00 C ATOM 941 NH1 ARG A 60 17.395 -6.107 -2.945 1.00 0.00 N ATOM 942 NH2 ARG A 60 15.413 -6.698 -3.854 1.00 0.00 N ATOM 0 H ARG A 60 15.058 -4.680 1.442 1.00 0.00 H new ATOM 0 HA ARG A 60 12.783 -6.398 0.760 1.00 0.00 H new ATOM 0 HB2 ARG A 60 15.567 -6.508 1.974 1.00 0.00 H new ATOM 0 HB3 ARG A 60 14.513 -7.877 2.268 1.00 0.00 H new ATOM 0 HG2 ARG A 60 15.264 -8.625 0.227 1.00 0.00 H new ATOM 0 HG3 ARG A 60 14.095 -7.500 -0.435 1.00 0.00 H new ATOM 0 HD2 ARG A 60 16.487 -5.993 0.246 1.00 0.00 H new ATOM 0 HD3 ARG A 60 16.977 -7.393 -0.687 1.00 0.00 H new ATOM 0 HE ARG A 60 14.678 -5.600 -1.599 1.00 0.00 H new ATOM 0 HH11 ARG A 60 17.943 -5.810 -2.137 1.00 0.00 H new ATOM 0 HH12 ARG A 60 17.849 -6.239 -3.849 1.00 0.00 H new ATOM 0 HH21 ARG A 60 14.411 -6.863 -3.757 1.00 0.00 H new ATOM 0 HH22 ARG A 60 15.867 -6.830 -4.758 1.00 0.00 H new ATOM 956 N CYS A 61 12.057 -7.276 3.129 1.00 0.00 N ATOM 957 CA CYS A 61 11.291 -7.402 4.402 1.00 0.00 C ATOM 958 C CYS A 61 12.119 -6.863 5.572 1.00 0.00 C ATOM 959 O CYS A 61 13.051 -7.492 6.029 1.00 0.00 O ATOM 960 CB CYS A 61 11.045 -8.902 4.563 1.00 0.00 C ATOM 961 SG CYS A 61 10.279 -9.218 6.171 1.00 0.00 S ATOM 0 H CYS A 61 12.014 -8.089 2.514 1.00 0.00 H new ATOM 0 HA CYS A 61 10.360 -6.835 4.386 1.00 0.00 H new ATOM 0 HB2 CYS A 61 10.399 -9.263 3.763 1.00 0.00 H new ATOM 0 HB3 CYS A 61 11.986 -9.446 4.483 1.00 0.00 H new ATOM 966 N ARG A 62 11.785 -5.698 6.059 1.00 0.00 N ATOM 967 CA ARG A 62 12.553 -5.116 7.197 1.00 0.00 C ATOM 968 C ARG A 62 11.982 -5.612 8.528 1.00 0.00 C ATOM 969 O ARG A 62 11.715 -4.839 9.428 1.00 0.00 O ATOM 970 CB ARG A 62 12.371 -3.603 7.063 1.00 0.00 C ATOM 971 CG ARG A 62 13.704 -2.957 6.680 1.00 0.00 C ATOM 972 CD ARG A 62 13.682 -2.583 5.196 1.00 0.00 C ATOM 973 NE ARG A 62 13.801 -1.099 5.173 1.00 0.00 N ATOM 974 CZ ARG A 62 12.905 -0.363 5.772 1.00 0.00 C ATOM 975 NH1 ARG A 62 11.644 -0.487 5.461 1.00 0.00 N ATOM 976 NH2 ARG A 62 13.270 0.498 6.683 1.00 0.00 N ATOM 0 H ARG A 62 11.014 -5.124 5.718 1.00 0.00 H new ATOM 0 HA ARG A 62 13.604 -5.403 7.177 1.00 0.00 H new ATOM 0 HB2 ARG A 62 11.618 -3.383 6.306 1.00 0.00 H new ATOM 0 HB3 ARG A 62 12.010 -3.185 8.003 1.00 0.00 H new ATOM 0 HG2 ARG A 62 13.878 -2.069 7.287 1.00 0.00 H new ATOM 0 HG3 ARG A 62 14.525 -3.646 6.880 1.00 0.00 H new ATOM 0 HD2 ARG A 62 14.505 -3.054 4.658 1.00 0.00 H new ATOM 0 HD3 ARG A 62 12.759 -2.913 4.719 1.00 0.00 H new ATOM 0 HE ARG A 62 14.583 -0.658 4.689 1.00 0.00 H new ATOM 0 HH11 ARG A 62 11.358 -1.159 4.749 1.00 0.00 H new ATOM 0 HH12 ARG A 62 10.944 0.088 5.930 1.00 0.00 H new ATOM 0 HH21 ARG A 62 14.256 0.596 6.927 1.00 0.00 H new ATOM 0 HH22 ARG A 62 12.570 1.073 7.151 1.00 0.00 H new ATOM 990 N ALA A 63 11.792 -6.897 8.663 1.00 0.00 N ATOM 991 CA ALA A 63 11.238 -7.439 9.937 1.00 0.00 C ATOM 992 C ALA A 63 11.172 -8.968 9.880 1.00 0.00 C ATOM 993 CB ALA A 63 9.832 -6.846 10.042 1.00 0.00 C ATOM 0 H ALA A 63 11.996 -7.594 7.947 1.00 0.00 H new ATOM 0 HA ALA A 63 11.856 -7.181 10.797 1.00 0.00 H new ATOM 0 HB1 ALA A 63 9.356 -7.199 10.957 1.00 0.00 H new ATOM 0 HB2 ALA A 63 9.897 -5.758 10.062 1.00 0.00 H new ATOM 0 HB3 ALA A 63 9.240 -7.158 9.181 1.00 0.00 H new