USER MOD reduce.3.24.130724 H: found=0, std=0, add=376, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 358 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 LYS NZ :NH3+ 180:sc= -0.155 (180deg=-0.155) USER MOD Set 1.2: A 51 SER OG : rot 55:sc= 1.19 USER MOD Set 2.1: A 8 GLN : amide:sc= 0.922 K(o=1.9,f=1) USER MOD Set 2.2: A 12 CYS SG : rot 69:sc= 1.02 USER MOD Single : A 9 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00413) USER MOD Single : A 10 GLN : amide:sc= -0.475 K(o=-0.48,f=-1.5) USER MOD Single : A 15 GLN : amide:sc= -0.356 X(o=-0.36,f=-0.63) USER MOD Single : A 16 LYS NZ :NH3+ -174:sc= 0.692 (180deg=0.667) USER MOD Single : A 19 GLN : amide:sc= -1.13 K(o=-1.1,f=-1.7) USER MOD Single : A 21 ASN : amide:sc= 1.17 K(o=1.2,f=-0.084) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 168:sc=-0.000868 (180deg=-0.0556) USER MOD Single : A 26 SER OG : rot 180:sc= 0.0527 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 1.12 K(o=1.1,f=-0.03) USER MOD Single : A 33 GLN : amide:sc= -2.62! C(o=-2.6!,f=-5.6!) USER MOD Single : A 37 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000854) USER MOD Single : A 41 GLN : amide:sc= 0.823 K(o=0.82,f=-0.06) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 98:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 73 N ASP A 5 9.319 10.612 0.340 1.00 0.00 N ATOM 74 CA ASP A 5 8.147 9.804 0.072 1.00 0.00 C ATOM 75 C ASP A 5 8.123 8.712 1.156 1.00 0.00 C ATOM 76 O ASP A 5 8.854 7.729 1.025 1.00 0.00 O ATOM 77 CB ASP A 5 8.200 9.240 -1.359 1.00 0.00 C ATOM 78 CG ASP A 5 6.925 8.485 -1.743 1.00 0.00 C ATOM 79 OD1 ASP A 5 6.326 7.808 -0.873 1.00 0.00 O ATOM 80 OD2 ASP A 5 6.515 8.605 -2.917 1.00 0.00 O ATOM 0 HA ASP A 5 7.224 10.382 0.117 1.00 0.00 H new ATOM 0 HB2 ASP A 5 8.359 10.058 -2.062 1.00 0.00 H new ATOM 0 HB3 ASP A 5 9.055 8.571 -1.450 1.00 0.00 H new ATOM 85 N PRO A 6 7.350 8.867 2.250 1.00 0.00 N ATOM 86 CA PRO A 6 7.376 7.975 3.414 1.00 0.00 C ATOM 87 C PRO A 6 6.972 6.543 3.068 1.00 0.00 C ATOM 88 O PRO A 6 7.409 5.573 3.692 1.00 0.00 O ATOM 89 CB PRO A 6 6.350 8.538 4.401 1.00 0.00 C ATOM 90 CG PRO A 6 6.119 9.968 3.932 1.00 0.00 C ATOM 91 CD PRO A 6 6.306 9.853 2.430 1.00 0.00 C ATOM 0 HA PRO A 6 8.389 7.934 3.813 1.00 0.00 H new ATOM 0 HB2 PRO A 6 5.426 7.961 4.386 1.00 0.00 H new ATOM 0 HB3 PRO A 6 6.726 8.511 5.424 1.00 0.00 H new ATOM 0 HG2 PRO A 6 5.122 10.324 4.191 1.00 0.00 H new ATOM 0 HG3 PRO A 6 6.831 10.662 4.378 1.00 0.00 H new ATOM 0 HD2 PRO A 6 5.383 9.542 1.941 1.00 0.00 H new ATOM 0 HD3 PRO A 6 6.590 10.811 1.994 1.00 0.00 H new ATOM 99 N CYS A 7 6.099 6.434 2.066 1.00 0.00 N ATOM 100 CA CYS A 7 5.396 5.230 1.716 1.00 0.00 C ATOM 101 C CYS A 7 6.119 4.431 0.647 1.00 0.00 C ATOM 102 O CYS A 7 5.815 3.254 0.462 1.00 0.00 O ATOM 103 CB CYS A 7 3.999 5.631 1.255 1.00 0.00 C ATOM 104 SG CYS A 7 2.953 6.296 2.585 1.00 0.00 S ATOM 0 H CYS A 7 5.863 7.221 1.461 1.00 0.00 H new ATOM 0 HA CYS A 7 5.340 4.576 2.586 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.087 6.378 0.466 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.507 4.762 0.818 1.00 0.00 H new ATOM 106 N GLN A 8 7.101 5.034 -0.028 1.00 0.00 N ATOM 107 CA GLN A 8 7.884 4.378 -1.050 1.00 0.00 C ATOM 108 C GLN A 8 8.633 3.163 -0.468 1.00 0.00 C ATOM 109 O GLN A 8 8.885 2.196 -1.192 1.00 0.00 O ATOM 110 CB GLN A 8 8.752 5.468 -1.693 1.00 0.00 C ATOM 111 CG GLN A 8 9.821 4.944 -2.640 1.00 0.00 C ATOM 112 CD GLN A 8 9.235 4.295 -3.893 1.00 0.00 C ATOM 113 OE1 GLN A 8 8.992 4.962 -4.891 1.00 0.00 O ATOM 114 NE2 GLN A 8 8.971 2.996 -3.860 1.00 0.00 N ATOM 0 H GLN A 8 7.370 6.005 0.131 1.00 0.00 H new ATOM 0 HA GLN A 8 7.279 3.932 -1.840 1.00 0.00 H new ATOM 0 HB2 GLN A 8 8.105 6.155 -2.239 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.234 6.044 -0.903 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.474 5.766 -2.934 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.440 4.216 -2.115 1.00 0.00 H new ATOM 0 HE21 GLN A 8 9.179 2.454 -3.021 1.00 0.00 H new ATOM 0 HE22 GLN A 8 8.560 2.538 -4.673 1.00 0.00 H new ATOM 123 N LYS A 9 8.912 3.169 0.841 1.00 0.00 N ATOM 124 CA LYS A 9 9.391 2.012 1.578 1.00 0.00 C ATOM 125 C LYS A 9 8.349 0.894 1.539 1.00 0.00 C ATOM 126 O LYS A 9 8.634 -0.209 1.083 1.00 0.00 O ATOM 127 CB LYS A 9 9.707 2.432 3.021 1.00 0.00 C ATOM 128 CG LYS A 9 10.323 1.276 3.825 1.00 0.00 C ATOM 129 CD LYS A 9 10.692 1.722 5.246 1.00 0.00 C ATOM 130 CE LYS A 9 11.118 0.534 6.117 1.00 0.00 C ATOM 131 NZ LYS A 9 12.343 -0.118 5.618 1.00 0.00 N ATOM 0 H LYS A 9 8.806 4.000 1.422 1.00 0.00 H new ATOM 0 HA LYS A 9 10.302 1.629 1.118 1.00 0.00 H new ATOM 0 HB2 LYS A 9 10.395 3.277 3.012 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.794 2.770 3.510 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.617 0.447 3.873 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.213 0.908 3.314 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.502 2.450 5.201 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.839 2.223 5.704 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.282 0.876 7.139 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.309 -0.196 6.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 12.609 -0.893 6.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.170 -0.499 4.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.115 0.578 5.577 1.00 0.00 H new ATOM 145 N GLN A 10 7.130 1.181 1.996 1.00 0.00 N ATOM 146 CA GLN A 10 6.050 0.204 2.097 1.00 0.00 C ATOM 147 C GLN A 10 5.702 -0.358 0.710 1.00 0.00 C ATOM 148 O GLN A 10 5.483 -1.557 0.581 1.00 0.00 O ATOM 149 CB GLN A 10 4.831 0.813 2.815 1.00 0.00 C ATOM 150 CG GLN A 10 5.016 0.950 4.340 1.00 0.00 C ATOM 151 CD GLN A 10 6.164 1.879 4.733 1.00 0.00 C ATOM 152 OE1 GLN A 10 7.231 1.431 5.131 1.00 0.00 O ATOM 153 NE2 GLN A 10 5.985 3.183 4.565 1.00 0.00 N ATOM 0 H GLN A 10 6.863 2.114 2.311 1.00 0.00 H new ATOM 0 HA GLN A 10 6.384 -0.636 2.705 1.00 0.00 H new ATOM 0 HB2 GLN A 10 4.625 1.797 2.393 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.957 0.193 2.618 1.00 0.00 H new ATOM 0 HG2 GLN A 10 4.090 1.323 4.778 1.00 0.00 H new ATOM 0 HG3 GLN A 10 5.195 -0.037 4.767 1.00 0.00 H new ATOM 0 HE21 GLN A 10 5.088 3.536 4.232 1.00 0.00 H new ATOM 0 HE22 GLN A 10 6.745 3.832 4.769 1.00 0.00 H new ATOM 162 N ALA A 11 5.732 0.476 -0.337 1.00 0.00 N ATOM 163 CA ALA A 11 5.635 0.073 -1.736 1.00 0.00 C ATOM 164 C ALA A 11 6.670 -0.971 -2.122 1.00 0.00 C ATOM 165 O ALA A 11 6.310 -1.936 -2.791 1.00 0.00 O ATOM 166 CB ALA A 11 5.764 1.296 -2.639 1.00 0.00 C ATOM 0 H ALA A 11 5.828 1.485 -0.224 1.00 0.00 H new ATOM 0 HA ALA A 11 4.656 -0.387 -1.869 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.691 0.988 -3.682 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.965 2.002 -2.412 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.729 1.774 -2.469 1.00 0.00 H new ATOM 172 N CYS A 12 7.921 -0.802 -1.692 1.00 0.00 N ATOM 173 CA CYS A 12 8.942 -1.825 -1.888 1.00 0.00 C ATOM 174 C CYS A 12 8.524 -3.145 -1.230 1.00 0.00 C ATOM 175 O CYS A 12 8.658 -4.220 -1.820 1.00 0.00 O ATOM 176 CB CYS A 12 10.300 -1.385 -1.331 1.00 0.00 C ATOM 177 SG CYS A 12 10.929 0.080 -2.193 1.00 0.00 S ATOM 0 H CYS A 12 8.249 0.033 -1.207 1.00 0.00 H new ATOM 0 HA CYS A 12 9.042 -1.973 -2.963 1.00 0.00 H new ATOM 0 HB2 CYS A 12 10.205 -1.169 -0.267 1.00 0.00 H new ATOM 0 HB3 CYS A 12 11.016 -2.201 -1.428 1.00 0.00 H new ATOM 0 HG CYS A 12 10.188 1.107 -1.901 1.00 0.00 H new ATOM 182 N GLU A 13 7.995 -3.064 -0.005 1.00 0.00 N ATOM 183 CA GLU A 13 7.549 -4.234 0.738 1.00 0.00 C ATOM 184 C GLU A 13 6.380 -4.942 0.060 1.00 0.00 C ATOM 185 O GLU A 13 6.210 -6.131 0.310 1.00 0.00 O ATOM 186 CB GLU A 13 7.186 -3.909 2.197 1.00 0.00 C ATOM 187 CG GLU A 13 8.273 -3.156 2.973 1.00 0.00 C ATOM 188 CD GLU A 13 9.659 -3.787 2.837 1.00 0.00 C ATOM 189 OE1 GLU A 13 9.778 -4.994 3.142 1.00 0.00 O ATOM 190 OE2 GLU A 13 10.581 -3.063 2.403 1.00 0.00 O ATOM 0 H GLU A 13 7.866 -2.184 0.494 1.00 0.00 H new ATOM 0 HA GLU A 13 8.404 -4.910 0.746 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.273 -3.314 2.206 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.965 -4.840 2.719 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.314 -2.126 2.620 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.999 -3.121 4.027 1.00 0.00 H new ATOM 197 N ILE A 14 5.608 -4.292 -0.821 1.00 0.00 N ATOM 198 CA ILE A 14 4.600 -4.973 -1.616 1.00 0.00 C ATOM 199 C ILE A 14 5.269 -6.038 -2.475 1.00 0.00 C ATOM 200 O ILE A 14 4.855 -7.199 -2.456 1.00 0.00 O ATOM 201 CB ILE A 14 3.821 -4.000 -2.499 1.00 0.00 C ATOM 202 CG1 ILE A 14 3.207 -2.815 -1.762 1.00 0.00 C ATOM 203 CG2 ILE A 14 2.758 -4.724 -3.333 1.00 0.00 C ATOM 204 CD1 ILE A 14 2.153 -3.163 -0.738 1.00 0.00 C ATOM 0 H ILE A 14 5.670 -3.289 -0.995 1.00 0.00 H new ATOM 0 HA ILE A 14 3.887 -5.438 -0.935 1.00 0.00 H new ATOM 0 HB ILE A 14 4.573 -3.574 -3.163 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.006 -2.266 -1.264 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.767 -2.141 -2.497 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.224 -4.001 -3.949 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.239 -5.462 -3.975 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.054 -5.225 -2.669 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.782 -2.250 -0.273 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.328 -3.682 -1.227 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.587 -3.809 0.026 1.00 0.00 H new ATOM 216 N GLN A 15 6.299 -5.623 -3.229 1.00 0.00 N ATOM 217 CA GLN A 15 7.019 -6.525 -4.108 1.00 0.00 C ATOM 218 C GLN A 15 7.573 -7.654 -3.255 1.00 0.00 C ATOM 219 O GLN A 15 7.280 -8.817 -3.509 1.00 0.00 O ATOM 220 CB GLN A 15 8.157 -5.845 -4.893 1.00 0.00 C ATOM 221 CG GLN A 15 7.716 -4.890 -6.011 1.00 0.00 C ATOM 222 CD GLN A 15 7.386 -3.514 -5.458 1.00 0.00 C ATOM 223 OE1 GLN A 15 8.270 -2.704 -5.209 1.00 0.00 O ATOM 224 NE2 GLN A 15 6.116 -3.243 -5.202 1.00 0.00 N ATOM 0 H GLN A 15 6.644 -4.663 -3.239 1.00 0.00 H new ATOM 0 HA GLN A 15 6.323 -6.892 -4.862 1.00 0.00 H new ATOM 0 HB2 GLN A 15 8.777 -5.290 -4.190 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.786 -6.620 -5.330 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.508 -4.806 -6.755 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.843 -5.299 -6.520 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.394 -3.931 -5.417 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.859 -2.346 -4.790 1.00 0.00 H new ATOM 233 N LYS A 16 8.342 -7.315 -2.222 1.00 0.00 N ATOM 234 CA LYS A 16 9.085 -8.309 -1.469 1.00 0.00 C ATOM 235 C LYS A 16 8.160 -9.195 -0.642 1.00 0.00 C ATOM 236 O LYS A 16 8.482 -10.368 -0.468 1.00 0.00 O ATOM 237 CB LYS A 16 10.086 -7.586 -0.559 1.00 0.00 C ATOM 238 CG LYS A 16 11.130 -6.757 -1.336 1.00 0.00 C ATOM 239 CD LYS A 16 11.596 -5.527 -0.549 1.00 0.00 C ATOM 240 CE LYS A 16 12.319 -5.922 0.742 1.00 0.00 C ATOM 241 NZ LYS A 16 12.853 -4.744 1.446 1.00 0.00 N ATOM 0 H LYS A 16 8.463 -6.358 -1.891 1.00 0.00 H new ATOM 0 HA LYS A 16 9.612 -8.959 -2.167 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.541 -6.928 0.118 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.602 -8.321 0.058 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.990 -7.385 -1.568 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.703 -6.437 -2.287 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.262 -4.928 -1.170 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.736 -4.902 -0.308 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.630 -6.457 1.396 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.134 -6.607 0.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.422 -5.054 2.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.449 -4.192 0.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.065 -4.153 1.780 1.00 0.00 H new ATOM 255 N CYS A 17 7.001 -8.693 -0.196 1.00 0.00 N ATOM 256 CA CYS A 17 5.968 -9.536 0.382 1.00 0.00 C ATOM 257 C CYS A 17 5.596 -10.598 -0.634 1.00 0.00 C ATOM 258 O CYS A 17 5.512 -11.770 -0.280 1.00 0.00 O ATOM 259 CB CYS A 17 4.721 -8.728 0.746 1.00 0.00 C ATOM 260 SG CYS A 17 3.272 -9.716 1.227 1.00 0.00 S ATOM 0 H CYS A 17 6.763 -7.702 -0.229 1.00 0.00 H new ATOM 0 HA CYS A 17 6.354 -9.986 1.297 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.970 -8.055 1.566 1.00 0.00 H new ATOM 0 HB3 CYS A 17 4.449 -8.105 -0.106 1.00 0.00 H new ATOM 262 N LEU A 18 5.375 -10.195 -1.888 1.00 0.00 N ATOM 263 CA LEU A 18 5.021 -11.115 -2.944 1.00 0.00 C ATOM 264 C LEU A 18 6.117 -12.170 -3.113 1.00 0.00 C ATOM 265 O LEU A 18 5.785 -13.352 -3.180 1.00 0.00 O ATOM 266 CB LEU A 18 4.697 -10.348 -4.244 1.00 0.00 C ATOM 267 CG LEU A 18 3.213 -10.487 -4.628 1.00 0.00 C ATOM 268 CD1 LEU A 18 2.399 -9.318 -4.064 1.00 0.00 C ATOM 269 CD2 LEU A 18 3.027 -10.485 -6.153 1.00 0.00 C ATOM 0 H LEU A 18 5.439 -9.222 -2.188 1.00 0.00 H new ATOM 0 HA LEU A 18 4.112 -11.653 -2.676 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.943 -9.294 -4.116 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.320 -10.725 -5.055 1.00 0.00 H new ATOM 0 HG LEU A 18 2.868 -11.434 -4.213 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.352 -9.434 -4.346 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.483 -9.307 -2.977 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.782 -8.380 -4.467 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.968 -10.585 -6.390 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.405 -9.549 -6.564 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.576 -11.320 -6.588 1.00 0.00 H new ATOM 281 N GLN A 19 7.400 -11.788 -3.135 1.00 0.00 N ATOM 282 CA GLN A 19 8.509 -12.743 -3.169 1.00 0.00 C ATOM 283 C GLN A 19 8.467 -13.683 -1.964 1.00 0.00 C ATOM 284 O GLN A 19 8.534 -14.897 -2.145 1.00 0.00 O ATOM 285 CB GLN A 19 9.877 -12.048 -3.335 1.00 0.00 C ATOM 286 CG GLN A 19 10.159 -11.500 -4.752 1.00 0.00 C ATOM 287 CD GLN A 19 9.476 -10.162 -5.032 1.00 0.00 C ATOM 288 OE1 GLN A 19 9.994 -9.120 -4.650 1.00 0.00 O ATOM 289 NE2 GLN A 19 8.299 -10.138 -5.652 1.00 0.00 N ATOM 0 H GLN A 19 7.695 -10.812 -3.130 1.00 0.00 H new ATOM 0 HA GLN A 19 8.381 -13.360 -4.059 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.939 -11.225 -2.624 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.663 -12.756 -3.072 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.235 -11.384 -4.881 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.826 -12.231 -5.489 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.871 -11.008 -5.968 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.824 -9.249 -5.811 1.00 0.00 H new ATOM 298 N ALA A 20 8.267 -13.145 -0.759 1.00 0.00 N ATOM 299 CA ALA A 20 8.123 -13.924 0.462 1.00 0.00 C ATOM 300 C ALA A 20 6.876 -14.827 0.463 1.00 0.00 C ATOM 301 O ALA A 20 6.797 -15.723 1.300 1.00 0.00 O ATOM 302 CB ALA A 20 8.108 -12.973 1.665 1.00 0.00 C ATOM 0 H ALA A 20 8.200 -12.139 -0.607 1.00 0.00 H new ATOM 0 HA ALA A 20 8.977 -14.598 0.526 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.000 -13.550 2.584 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.042 -12.411 1.697 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.271 -12.281 1.571 1.00 0.00 H new ATOM 308 N ASN A 21 5.916 -14.618 -0.451 1.00 0.00 N ATOM 309 CA ASN A 21 4.634 -15.315 -0.469 1.00 0.00 C ATOM 310 C ASN A 21 4.394 -16.051 -1.788 1.00 0.00 C ATOM 311 O ASN A 21 3.290 -16.547 -1.992 1.00 0.00 O ATOM 312 CB ASN A 21 3.511 -14.329 -0.119 1.00 0.00 C ATOM 313 CG ASN A 21 3.514 -14.034 1.377 1.00 0.00 C ATOM 314 OD1 ASN A 21 2.950 -14.778 2.169 1.00 0.00 O ATOM 315 ND2 ASN A 21 4.164 -12.960 1.794 1.00 0.00 N ATOM 0 H ASN A 21 6.018 -13.945 -1.211 1.00 0.00 H new ATOM 0 HA ASN A 21 4.646 -16.096 0.291 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.642 -13.403 -0.679 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.547 -14.745 -0.413 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.201 -12.741 2.789 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.628 -12.351 1.120 1.00 0.00 H new ATOM 322 N SER A 22 5.391 -16.155 -2.683 1.00 0.00 N ATOM 323 CA SER A 22 5.264 -16.857 -3.966 1.00 0.00 C ATOM 324 C SER A 22 4.137 -16.255 -4.804 1.00 0.00 C ATOM 325 O SER A 22 3.359 -16.944 -5.460 1.00 0.00 O ATOM 326 CB SER A 22 5.088 -18.362 -3.766 1.00 0.00 C ATOM 327 OG SER A 22 6.104 -18.863 -2.922 1.00 0.00 O ATOM 0 H SER A 22 6.315 -15.750 -2.532 1.00 0.00 H new ATOM 0 HA SER A 22 6.193 -16.721 -4.519 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.110 -18.567 -3.331 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.121 -18.871 -4.729 1.00 0.00 H new ATOM 0 HG SER A 22 5.981 -19.827 -2.799 1.00 0.00 H new ATOM 333 N TYR A 23 4.075 -14.927 -4.750 1.00 0.00 N ATOM 334 CA TYR A 23 3.288 -14.042 -5.574 1.00 0.00 C ATOM 335 C TYR A 23 1.796 -14.074 -5.280 1.00 0.00 C ATOM 336 O TYR A 23 0.991 -13.527 -6.033 1.00 0.00 O ATOM 337 CB TYR A 23 3.724 -14.214 -7.032 1.00 0.00 C ATOM 338 CG TYR A 23 5.239 -14.187 -7.199 1.00 0.00 C ATOM 339 CD1 TYR A 23 6.005 -13.319 -6.404 1.00 0.00 C ATOM 340 CD2 TYR A 23 5.903 -15.113 -8.024 1.00 0.00 C ATOM 341 CE1 TYR A 23 7.389 -13.315 -6.447 1.00 0.00 C ATOM 342 CE2 TYR A 23 7.311 -15.150 -8.053 1.00 0.00 C ATOM 343 CZ TYR A 23 8.067 -14.236 -7.274 1.00 0.00 C ATOM 344 OH TYR A 23 9.429 -14.262 -7.277 1.00 0.00 O ATOM 0 H TYR A 23 4.625 -14.408 -4.066 1.00 0.00 H new ATOM 0 HA TYR A 23 3.497 -13.005 -5.313 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.337 -15.159 -7.414 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.282 -13.421 -7.635 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.500 -12.634 -5.739 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.333 -15.796 -8.636 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.948 -12.610 -5.850 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.817 -15.877 -8.671 1.00 0.00 H new ATOM 0 HH TYR A 23 9.742 -14.952 -7.898 1.00 0.00 H new ATOM 354 N MET A 24 1.451 -14.650 -4.129 1.00 0.00 N ATOM 355 CA MET A 24 0.138 -14.616 -3.537 1.00 0.00 C ATOM 356 C MET A 24 -0.170 -13.209 -3.026 1.00 0.00 C ATOM 357 O MET A 24 0.021 -12.882 -1.853 1.00 0.00 O ATOM 358 CB MET A 24 0.008 -15.692 -2.450 1.00 0.00 C ATOM 359 CG MET A 24 0.244 -17.084 -3.044 1.00 0.00 C ATOM 360 SD MET A 24 -0.322 -18.457 -2.004 1.00 0.00 S ATOM 361 CE MET A 24 1.021 -18.505 -0.787 1.00 0.00 C ATOM 0 H MET A 24 2.120 -15.175 -3.566 1.00 0.00 H new ATOM 0 HA MET A 24 -0.611 -14.851 -4.293 1.00 0.00 H new ATOM 0 HB2 MET A 24 0.728 -15.503 -1.654 1.00 0.00 H new ATOM 0 HB3 MET A 24 -0.984 -15.645 -2.000 1.00 0.00 H new ATOM 0 HG2 MET A 24 -0.262 -17.143 -4.008 1.00 0.00 H new ATOM 0 HG3 MET A 24 1.310 -17.207 -3.235 1.00 0.00 H new ATOM 0 HE1 MET A 24 0.734 -19.145 0.047 1.00 0.00 H new ATOM 0 HE2 MET A 24 1.922 -18.901 -1.255 1.00 0.00 H new ATOM 0 HE3 MET A 24 1.216 -17.497 -0.420 1.00 0.00 H new ATOM 371 N GLU A 25 -0.698 -12.376 -3.917 1.00 0.00 N ATOM 372 CA GLU A 25 -1.292 -11.090 -3.624 1.00 0.00 C ATOM 373 C GLU A 25 -2.406 -11.236 -2.573 1.00 0.00 C ATOM 374 O GLU A 25 -2.675 -10.274 -1.853 1.00 0.00 O ATOM 375 CB GLU A 25 -1.835 -10.535 -4.949 1.00 0.00 C ATOM 376 CG GLU A 25 -2.054 -9.026 -4.888 1.00 0.00 C ATOM 377 CD GLU A 25 -2.715 -8.512 -6.168 1.00 0.00 C ATOM 378 OE1 GLU A 25 -3.924 -8.798 -6.342 1.00 0.00 O ATOM 379 OE2 GLU A 25 -2.005 -7.847 -6.953 1.00 0.00 O ATOM 0 H GLU A 25 -0.721 -12.598 -4.912 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.557 -10.404 -3.203 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.137 -10.768 -5.753 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.776 -11.029 -5.191 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.679 -8.781 -4.029 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.098 -8.523 -4.741 1.00 0.00 H new ATOM 386 N SER A 26 -3.003 -12.432 -2.436 1.00 0.00 N ATOM 387 CA SER A 26 -3.917 -12.815 -1.361 1.00 0.00 C ATOM 388 C SER A 26 -3.293 -12.608 0.025 1.00 0.00 C ATOM 389 O SER A 26 -3.964 -12.145 0.944 1.00 0.00 O ATOM 390 CB SER A 26 -4.300 -14.298 -1.484 1.00 0.00 C ATOM 391 OG SER A 26 -4.371 -14.745 -2.820 1.00 0.00 O ATOM 0 H SER A 26 -2.851 -13.187 -3.104 1.00 0.00 H new ATOM 0 HA SER A 26 -4.795 -12.177 -1.460 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.570 -14.901 -0.944 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.264 -14.459 -1.002 1.00 0.00 H new ATOM 0 HG SER A 26 -4.616 -15.694 -2.835 1.00 0.00 H new ATOM 397 N LYS A 27 -2.012 -12.958 0.185 1.00 0.00 N ATOM 398 CA LYS A 27 -1.259 -12.746 1.409 1.00 0.00 C ATOM 399 C LYS A 27 -0.936 -11.260 1.529 1.00 0.00 C ATOM 400 O LYS A 27 -1.124 -10.645 2.580 1.00 0.00 O ATOM 401 CB LYS A 27 0.038 -13.577 1.392 1.00 0.00 C ATOM 402 CG LYS A 27 -0.177 -15.098 1.273 1.00 0.00 C ATOM 403 CD LYS A 27 -0.279 -15.779 2.639 1.00 0.00 C ATOM 404 CE LYS A 27 -0.590 -17.266 2.453 1.00 0.00 C ATOM 405 NZ LYS A 27 -0.669 -17.966 3.747 1.00 0.00 N ATOM 0 H LYS A 27 -1.466 -13.405 -0.552 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.851 -13.065 2.266 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.656 -13.244 0.558 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.597 -13.373 2.305 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.087 -15.291 0.705 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.648 -15.536 0.712 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.656 -15.659 3.186 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.060 -15.306 3.234 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.534 -17.378 1.919 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.182 -17.726 1.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.881 -18.971 3.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.240 -17.879 4.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.422 -17.542 4.326 1.00 0.00 H new ATOM 419 N CYS A 28 -0.477 -10.665 0.423 1.00 0.00 N ATOM 420 CA CYS A 28 0.017 -9.307 0.387 1.00 0.00 C ATOM 421 C CYS A 28 -1.093 -8.254 0.482 1.00 0.00 C ATOM 422 O CYS A 28 -0.786 -7.066 0.538 1.00 0.00 O ATOM 423 CB CYS A 28 0.967 -9.213 -0.801 1.00 0.00 C ATOM 424 SG CYS A 28 2.385 -10.323 -0.528 1.00 0.00 S ATOM 0 H CYS A 28 -0.443 -11.132 -0.483 1.00 0.00 H new ATOM 0 HA CYS A 28 0.589 -9.060 1.282 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.447 -9.487 -1.719 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.313 -8.187 -0.925 1.00 0.00 H new ATOM 426 N GLN A 29 -2.364 -8.657 0.618 1.00 0.00 N ATOM 427 CA GLN A 29 -3.453 -7.756 1.001 1.00 0.00 C ATOM 428 C GLN A 29 -3.074 -6.986 2.279 1.00 0.00 C ATOM 429 O GLN A 29 -3.408 -5.805 2.395 1.00 0.00 O ATOM 430 CB GLN A 29 -4.761 -8.533 1.247 1.00 0.00 C ATOM 431 CG GLN A 29 -5.302 -9.312 0.042 1.00 0.00 C ATOM 432 CD GLN A 29 -5.609 -8.430 -1.159 1.00 0.00 C ATOM 433 OE1 GLN A 29 -6.623 -7.743 -1.192 1.00 0.00 O ATOM 434 NE2 GLN A 29 -4.749 -8.434 -2.171 1.00 0.00 N ATOM 0 H GLN A 29 -2.664 -9.620 0.464 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.612 -7.057 0.180 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.599 -9.233 2.067 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.525 -7.829 1.575 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.573 -10.069 -0.249 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.209 -9.840 0.337 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.910 -9.013 -2.125 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.927 -7.858 -2.994 1.00 0.00 H new ATOM 443 N ALA A 30 -2.329 -7.636 3.192 1.00 0.00 N ATOM 444 CA ALA A 30 -1.783 -7.058 4.413 1.00 0.00 C ATOM 445 C ALA A 30 -0.892 -5.860 4.112 1.00 0.00 C ATOM 446 O ALA A 30 -1.098 -4.769 4.636 1.00 0.00 O ATOM 447 CB ALA A 30 -0.943 -8.114 5.145 1.00 0.00 C ATOM 0 H ALA A 30 -2.086 -8.621 3.085 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.619 -6.729 5.030 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.533 -7.684 6.059 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.571 -8.969 5.396 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.127 -8.441 4.500 1.00 0.00 H new ATOM 453 N VAL A 31 0.139 -6.083 3.298 1.00 0.00 N ATOM 454 CA VAL A 31 1.157 -5.098 3.007 1.00 0.00 C ATOM 455 C VAL A 31 0.588 -4.001 2.098 1.00 0.00 C ATOM 456 O VAL A 31 0.983 -2.844 2.226 1.00 0.00 O ATOM 457 CB VAL A 31 2.390 -5.833 2.465 1.00 0.00 C ATOM 458 CG1 VAL A 31 2.167 -6.399 1.070 1.00 0.00 C ATOM 459 CG2 VAL A 31 3.667 -5.013 2.496 1.00 0.00 C ATOM 0 H VAL A 31 0.285 -6.971 2.818 1.00 0.00 H new ATOM 0 HA VAL A 31 1.482 -4.564 3.900 1.00 0.00 H new ATOM 0 HB VAL A 31 2.529 -6.661 3.160 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.071 -6.908 0.735 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.339 -7.107 1.093 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.932 -5.587 0.381 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.490 -5.606 2.096 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.538 -4.116 1.890 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.891 -4.728 3.524 1.00 0.00 H new ATOM 469 N ILE A 32 -0.396 -4.328 1.243 1.00 0.00 N ATOM 470 CA ILE A 32 -1.171 -3.347 0.513 1.00 0.00 C ATOM 471 C ILE A 32 -1.855 -2.475 1.568 1.00 0.00 C ATOM 472 O ILE A 32 -1.685 -1.258 1.557 1.00 0.00 O ATOM 473 CB ILE A 32 -2.129 -4.040 -0.488 1.00 0.00 C ATOM 474 CG1 ILE A 32 -1.340 -4.785 -1.601 1.00 0.00 C ATOM 475 CG2 ILE A 32 -3.078 -3.025 -1.151 1.00 0.00 C ATOM 476 CD1 ILE A 32 -2.125 -5.900 -2.307 1.00 0.00 C ATOM 0 H ILE A 32 -0.667 -5.292 1.047 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.558 -2.705 -0.120 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.713 -4.759 0.086 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.017 -4.059 -2.347 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.439 -5.215 -1.163 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.737 -3.544 -1.847 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.676 -2.532 -0.385 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.494 -2.280 -1.691 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.496 -6.363 -3.067 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.425 -6.652 -1.577 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.012 -5.478 -2.779 1.00 0.00 H new ATOM 488 N GLN A 33 -2.533 -3.078 2.546 1.00 0.00 N ATOM 489 CA GLN A 33 -3.122 -2.328 3.635 1.00 0.00 C ATOM 490 C GLN A 33 -2.105 -1.490 4.389 1.00 0.00 C ATOM 491 O GLN A 33 -2.458 -0.424 4.889 1.00 0.00 O ATOM 492 CB GLN A 33 -3.887 -3.264 4.580 1.00 0.00 C ATOM 493 CG GLN A 33 -5.317 -2.753 4.707 1.00 0.00 C ATOM 494 CD GLN A 33 -6.108 -2.691 3.382 1.00 0.00 C ATOM 495 OE1 GLN A 33 -7.088 -1.963 3.262 1.00 0.00 O ATOM 496 NE2 GLN A 33 -5.691 -3.390 2.330 1.00 0.00 N ATOM 0 H GLN A 33 -2.683 -4.086 2.598 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.828 -1.624 3.195 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.881 -4.283 4.192 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.406 -3.292 5.558 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.856 -3.395 5.404 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.293 -1.755 5.145 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -4.878 -4.000 2.413 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -6.184 -3.316 1.440 1.00 0.00 H new ATOM 505 N GLU A 34 -0.840 -1.909 4.433 1.00 0.00 N ATOM 506 CA GLU A 34 0.163 -1.119 5.081 1.00 0.00 C ATOM 507 C GLU A 34 0.558 0.098 4.226 1.00 0.00 C ATOM 508 O GLU A 34 0.733 1.183 4.782 1.00 0.00 O ATOM 509 CB GLU A 34 1.347 -2.024 5.427 1.00 0.00 C ATOM 510 CG GLU A 34 2.343 -1.228 6.248 1.00 0.00 C ATOM 511 CD GLU A 34 3.515 -2.096 6.705 1.00 0.00 C ATOM 512 OE1 GLU A 34 4.366 -2.404 5.840 1.00 0.00 O ATOM 513 OE2 GLU A 34 3.535 -2.444 7.906 1.00 0.00 O ATOM 0 H GLU A 34 -0.505 -2.783 4.028 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.228 -0.701 6.008 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.006 -2.895 5.987 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.818 -2.395 4.517 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.717 -0.392 5.657 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.842 -0.804 7.118 1.00 0.00 H new ATOM 520 N LEU A 35 0.640 -0.030 2.889 1.00 0.00 N ATOM 521 CA LEU A 35 0.796 1.120 2.000 1.00 0.00 C ATOM 522 C LEU A 35 -0.374 2.074 2.179 1.00 0.00 C ATOM 523 O LEU A 35 -0.194 3.283 2.108 1.00 0.00 O ATOM 524 CB LEU A 35 0.948 0.730 0.519 1.00 0.00 C ATOM 525 CG LEU A 35 2.277 1.051 -0.161 1.00 0.00 C ATOM 526 CD1 LEU A 35 2.158 0.837 -1.672 1.00 0.00 C ATOM 527 CD2 LEU A 35 2.709 2.503 0.043 1.00 0.00 C ATOM 0 H LEU A 35 0.600 -0.927 2.405 1.00 0.00 H new ATOM 0 HA LEU A 35 1.726 1.613 2.283 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.777 -0.343 0.434 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.155 1.224 -0.042 1.00 0.00 H new ATOM 0 HG LEU A 35 3.014 0.387 0.291 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.111 1.068 -2.148 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.895 -0.201 -1.873 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.384 1.491 -2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.660 2.674 -0.462 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.953 3.169 -0.372 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.823 2.702 1.109 1.00 0.00 H new ATOM 539 N ARG A 36 -1.557 1.532 2.451 1.00 0.00 N ATOM 540 CA ARG A 36 -2.787 2.271 2.661 1.00 0.00 C ATOM 541 C ARG A 36 -2.735 3.101 3.935 1.00 0.00 C ATOM 542 O ARG A 36 -2.928 4.314 3.914 1.00 0.00 O ATOM 543 CB ARG A 36 -3.917 1.246 2.734 1.00 0.00 C ATOM 544 CG ARG A 36 -5.121 1.678 1.919 1.00 0.00 C ATOM 545 CD ARG A 36 -5.911 0.450 1.494 1.00 0.00 C ATOM 546 NE ARG A 36 -5.659 -0.019 0.129 1.00 0.00 N ATOM 547 CZ ARG A 36 -6.265 -1.099 -0.375 1.00 0.00 C ATOM 548 NH1 ARG A 36 -7.170 -1.782 0.336 1.00 0.00 N ATOM 549 NH2 ARG A 36 -5.967 -1.512 -1.599 1.00 0.00 N ATOM 0 H ARG A 36 -1.685 0.523 2.534 1.00 0.00 H new ATOM 0 HA ARG A 36 -2.945 2.973 1.842 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.558 0.283 2.371 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.213 1.104 3.773 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.752 2.344 2.507 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.798 2.238 1.041 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.688 -0.362 2.186 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.974 0.670 1.594 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.000 0.495 -0.456 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.409 -1.481 1.281 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.621 -2.603 -0.067 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.277 -1.006 -2.154 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.428 -2.336 -1.986 1.00 0.00 H new ATOM 563 N LYS A 37 -2.458 2.424 5.046 1.00 0.00 N ATOM 564 CA LYS A 37 -2.324 3.017 6.370 1.00 0.00 C ATOM 565 C LYS A 37 -1.167 4.010 6.391 1.00 0.00 C ATOM 566 O LYS A 37 -1.252 5.026 7.083 1.00 0.00 O ATOM 567 CB LYS A 37 -2.118 1.912 7.416 1.00 0.00 C ATOM 568 CG LYS A 37 -3.381 1.059 7.620 1.00 0.00 C ATOM 569 CD LYS A 37 -3.038 -0.256 8.333 1.00 0.00 C ATOM 570 CE LYS A 37 -4.239 -1.205 8.396 1.00 0.00 C ATOM 571 NZ LYS A 37 -5.334 -0.664 9.224 1.00 0.00 N ATOM 0 H LYS A 37 -2.316 1.414 5.048 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.238 3.559 6.614 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.294 1.269 7.105 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.829 2.363 8.366 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.112 1.616 8.206 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.842 0.846 6.655 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.215 -0.747 7.813 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.693 -0.041 9.344 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.607 -1.391 7.387 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.920 -2.165 8.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.118 -1.347 9.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.988 -0.495 10.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.669 0.231 8.815 1.00 0.00 H new ATOM 585 N CYS A 38 -0.112 3.740 5.616 1.00 0.00 N ATOM 586 CA CYS A 38 0.937 4.698 5.364 1.00 0.00 C ATOM 587 C CYS A 38 0.356 5.881 4.606 1.00 0.00 C ATOM 588 O CYS A 38 0.529 7.010 5.027 1.00 0.00 O ATOM 589 CB CYS A 38 2.090 4.062 4.586 1.00 0.00 C ATOM 590 SG CYS A 38 3.436 5.238 4.280 1.00 0.00 S ATOM 0 H CYS A 38 0.027 2.843 5.150 1.00 0.00 H new ATOM 0 HA CYS A 38 1.343 5.043 6.315 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.475 3.208 5.143 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.718 3.681 3.635 1.00 0.00 H new ATOM 592 N CYS A 39 -0.331 5.645 3.493 1.00 0.00 N ATOM 593 CA CYS A 39 -0.798 6.688 2.596 1.00 0.00 C ATOM 594 C CYS A 39 -1.691 7.689 3.302 1.00 0.00 C ATOM 595 O CYS A 39 -1.463 8.898 3.245 1.00 0.00 O ATOM 596 CB CYS A 39 -1.519 6.023 1.442 1.00 0.00 C ATOM 597 SG CYS A 39 -2.223 7.088 0.167 1.00 0.00 S ATOM 0 H CYS A 39 -0.582 4.705 3.186 1.00 0.00 H new ATOM 0 HA CYS A 39 0.055 7.258 2.228 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.821 5.339 0.960 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -2.325 5.417 1.855 1.00 0.00 H new ATOM 599 N ALA A 40 -2.680 7.156 4.010 1.00 0.00 N ATOM 600 CA ALA A 40 -3.691 7.941 4.682 1.00 0.00 C ATOM 601 C ALA A 40 -3.131 8.712 5.883 1.00 0.00 C ATOM 602 O ALA A 40 -3.878 9.433 6.541 1.00 0.00 O ATOM 603 CB ALA A 40 -4.847 7.022 5.094 1.00 0.00 C ATOM 0 H ALA A 40 -2.798 6.150 4.131 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.058 8.697 3.988 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.614 7.607 5.602 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.275 6.555 4.207 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.475 6.249 5.767 1.00 0.00 H new ATOM 609 N GLN A 41 -1.833 8.574 6.185 1.00 0.00 N ATOM 610 CA GLN A 41 -1.178 9.246 7.273 1.00 0.00 C ATOM 611 C GLN A 41 -0.705 10.645 6.867 1.00 0.00 C ATOM 612 O GLN A 41 -0.204 11.381 7.717 1.00 0.00 O ATOM 613 CB GLN A 41 0.000 8.358 7.670 1.00 0.00 C ATOM 614 CG GLN A 41 0.245 8.262 9.152 1.00 0.00 C ATOM 615 CD GLN A 41 -0.886 7.592 9.941 1.00 0.00 C ATOM 616 OE1 GLN A 41 -1.235 8.040 11.025 1.00 0.00 O ATOM 617 NE2 GLN A 41 -1.482 6.510 9.447 1.00 0.00 N ATOM 0 H GLN A 41 -1.207 7.970 5.653 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.862 9.395 8.109 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.170 7.355 7.278 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.902 8.739 7.190 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.167 7.706 9.320 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.402 9.266 9.547 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.192 6.136 8.544 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -2.229 6.055 9.972 1.00 0.00 H new ATOM 626 N TYR A 42 -0.824 11.003 5.580 1.00 0.00 N ATOM 627 CA TYR A 42 -0.219 12.180 4.999 1.00 0.00 C ATOM 628 C TYR A 42 -1.159 12.864 4.004 1.00 0.00 C ATOM 629 O TYR A 42 -2.057 12.212 3.466 1.00 0.00 O ATOM 630 CB TYR A 42 1.059 11.779 4.261 1.00 0.00 C ATOM 631 CG TYR A 42 2.097 11.070 5.105 1.00 0.00 C ATOM 632 CD1 TYR A 42 2.026 9.679 5.230 1.00 0.00 C ATOM 633 CD2 TYR A 42 3.125 11.777 5.752 1.00 0.00 C ATOM 634 CE1 TYR A 42 3.000 8.963 5.940 1.00 0.00 C ATOM 635 CE2 TYR A 42 4.081 11.079 6.511 1.00 0.00 C ATOM 636 CZ TYR A 42 4.020 9.669 6.616 1.00 0.00 C ATOM 637 OH TYR A 42 4.939 9.005 7.372 1.00 0.00 O ATOM 0 H TYR A 42 -1.362 10.457 4.907 1.00 0.00 H new ATOM 0 HA TYR A 42 -0.001 12.877 5.808 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.789 11.132 3.426 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.510 12.676 3.836 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.206 9.147 4.771 1.00 0.00 H new ATOM 0 HD2 TYR A 42 3.180 12.852 5.667 1.00 0.00 H new ATOM 0 HE1 TYR A 42 2.971 7.884 5.970 1.00 0.00 H new ATOM 0 HE2 TYR A 42 4.866 11.622 7.017 1.00 0.00 H new ATOM 0 HH TYR A 42 5.567 9.648 7.763 1.00 0.00 H new ATOM 647 N PRO A 43 -0.931 14.151 3.689 1.00 0.00 N ATOM 648 CA PRO A 43 -1.581 14.792 2.556 1.00 0.00 C ATOM 649 C PRO A 43 -1.017 14.120 1.295 1.00 0.00 C ATOM 650 O PRO A 43 0.185 14.190 1.060 1.00 0.00 O ATOM 651 CB PRO A 43 -1.223 16.278 2.668 1.00 0.00 C ATOM 652 CG PRO A 43 0.101 16.286 3.438 1.00 0.00 C ATOM 653 CD PRO A 43 -0.009 15.067 4.355 1.00 0.00 C ATOM 0 HA PRO A 43 -2.666 14.697 2.524 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -1.115 16.737 1.685 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -1.996 16.835 3.198 1.00 0.00 H new ATOM 0 HG2 PRO A 43 0.956 16.207 2.766 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.228 17.206 4.008 1.00 0.00 H new ATOM 0 HD2 PRO A 43 0.965 14.601 4.505 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -0.382 15.350 5.339 1.00 0.00 H new ATOM 661 N LYS A 44 -1.859 13.461 0.489 1.00 0.00 N ATOM 662 CA LYS A 44 -1.504 12.565 -0.604 1.00 0.00 C ATOM 663 C LYS A 44 -0.338 12.991 -1.503 1.00 0.00 C ATOM 664 O LYS A 44 0.484 12.146 -1.852 1.00 0.00 O ATOM 665 CB LYS A 44 -2.814 12.384 -1.367 1.00 0.00 C ATOM 666 CG LYS A 44 -2.780 11.345 -2.481 1.00 0.00 C ATOM 667 CD LYS A 44 -4.231 11.204 -2.952 1.00 0.00 C ATOM 668 CE LYS A 44 -4.375 10.271 -4.158 1.00 0.00 C ATOM 669 NZ LYS A 44 -3.750 10.828 -5.372 1.00 0.00 N ATOM 0 H LYS A 44 -2.870 13.549 0.595 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.096 11.638 -0.201 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.593 12.106 -0.657 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.101 13.344 -1.796 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.132 11.665 -3.297 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.391 10.394 -2.119 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.840 10.826 -2.131 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.621 12.188 -3.211 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.920 9.308 -3.926 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.432 10.086 -4.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.872 10.163 -6.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.201 11.734 -5.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.735 10.980 -5.202 1.00 0.00 H new ATOM 683 N GLY A 45 -0.208 14.287 -1.814 1.00 0.00 N ATOM 684 CA GLY A 45 0.903 14.834 -2.595 1.00 0.00 C ATOM 685 C GLY A 45 2.288 14.572 -1.983 1.00 0.00 C ATOM 686 O GLY A 45 3.290 14.718 -2.675 1.00 0.00 O ATOM 0 H GLY A 45 -0.884 14.994 -1.524 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.874 14.407 -3.597 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.763 15.910 -2.703 1.00 0.00 H new ATOM 690 N ARG A 46 2.352 14.146 -0.716 1.00 0.00 N ATOM 691 CA ARG A 46 3.533 13.644 -0.034 1.00 0.00 C ATOM 692 C ARG A 46 4.157 12.455 -0.766 1.00 0.00 C ATOM 693 O ARG A 46 5.367 12.236 -0.655 1.00 0.00 O ATOM 694 CB ARG A 46 3.052 13.222 1.370 1.00 0.00 C ATOM 695 CG ARG A 46 4.043 12.458 2.250 1.00 0.00 C ATOM 696 CD ARG A 46 5.003 13.336 3.055 1.00 0.00 C ATOM 697 NE ARG A 46 6.058 13.924 2.208 1.00 0.00 N ATOM 698 CZ ARG A 46 6.105 15.189 1.770 1.00 0.00 C ATOM 699 NH1 ARG A 46 5.134 16.049 2.078 1.00 0.00 N ATOM 700 NH2 ARG A 46 7.127 15.595 1.020 1.00 0.00 N ATOM 0 H ARG A 46 1.530 14.146 -0.112 1.00 0.00 H new ATOM 0 HA ARG A 46 4.309 14.408 0.007 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.747 14.121 1.907 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.162 12.605 1.250 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.482 11.830 2.942 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.628 11.791 1.617 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.442 14.134 3.542 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.462 12.741 3.845 1.00 0.00 H new ATOM 0 HE ARG A 46 6.823 13.310 1.930 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.347 15.746 2.652 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.178 17.010 1.740 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.874 14.943 0.779 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.164 16.558 0.686 1.00 0.00 H new ATOM 714 N SER A 47 3.350 11.638 -1.454 1.00 0.00 N ATOM 715 CA SER A 47 3.818 10.368 -1.952 1.00 0.00 C ATOM 716 C SER A 47 3.197 9.963 -3.277 1.00 0.00 C ATOM 717 O SER A 47 1.988 10.046 -3.508 1.00 0.00 O ATOM 718 CB SER A 47 3.621 9.334 -0.846 1.00 0.00 C ATOM 719 OG SER A 47 3.750 8.010 -1.311 1.00 0.00 O ATOM 0 H SER A 47 2.375 11.846 -1.671 1.00 0.00 H new ATOM 0 HA SER A 47 4.878 10.446 -2.194 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.351 9.510 -0.055 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.634 9.465 -0.403 1.00 0.00 H new ATOM 0 HG SER A 47 4.652 7.681 -1.116 1.00 0.00 H new ATOM 725 N VAL A 48 4.085 9.457 -4.127 1.00 0.00 N ATOM 726 CA VAL A 48 3.794 8.943 -5.445 1.00 0.00 C ATOM 727 C VAL A 48 3.058 7.615 -5.304 1.00 0.00 C ATOM 728 O VAL A 48 1.962 7.459 -5.833 1.00 0.00 O ATOM 729 CB VAL A 48 5.080 8.794 -6.286 1.00 0.00 C ATOM 730 CG1 VAL A 48 4.681 8.511 -7.739 1.00 0.00 C ATOM 731 CG2 VAL A 48 5.978 10.043 -6.232 1.00 0.00 C ATOM 0 H VAL A 48 5.076 9.395 -3.895 1.00 0.00 H new ATOM 0 HA VAL A 48 3.157 9.649 -5.977 1.00 0.00 H new ATOM 0 HB VAL A 48 5.660 7.971 -5.868 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.578 8.403 -8.348 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.099 7.591 -7.784 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.082 9.338 -8.119 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.866 9.879 -6.842 1.00 0.00 H new ATOM 0 HG22 VAL A 48 5.429 10.903 -6.615 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.276 10.233 -5.201 1.00 0.00 H new ATOM 741 N VAL A 49 3.637 6.663 -4.567 1.00 0.00 N ATOM 742 CA VAL A 49 3.054 5.343 -4.377 1.00 0.00 C ATOM 743 C VAL A 49 1.679 5.453 -3.708 1.00 0.00 C ATOM 744 O VAL A 49 0.755 4.758 -4.118 1.00 0.00 O ATOM 745 CB VAL A 49 4.019 4.435 -3.594 1.00 0.00 C ATOM 746 CG1 VAL A 49 5.403 4.333 -4.250 1.00 0.00 C ATOM 747 CG2 VAL A 49 4.266 4.939 -2.176 1.00 0.00 C ATOM 0 H VAL A 49 4.527 6.792 -4.086 1.00 0.00 H new ATOM 0 HA VAL A 49 2.898 4.878 -5.351 1.00 0.00 H new ATOM 0 HB VAL A 49 3.523 3.464 -3.587 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.041 3.680 -3.654 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.300 3.922 -5.254 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.852 5.324 -4.308 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.953 4.265 -1.665 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.700 5.938 -2.215 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.322 4.975 -1.633 1.00 0.00 H new ATOM 757 N CYS A 50 1.521 6.363 -2.735 1.00 0.00 N ATOM 758 CA CYS A 50 0.268 6.649 -2.052 1.00 0.00 C ATOM 759 C CYS A 50 -0.731 7.275 -3.032 1.00 0.00 C ATOM 760 O CYS A 50 -1.917 6.938 -3.021 1.00 0.00 O ATOM 761 CB CYS A 50 0.566 7.649 -0.932 1.00 0.00 C ATOM 762 SG CYS A 50 -0.817 8.515 -0.147 1.00 0.00 S ATOM 0 H CYS A 50 2.294 6.935 -2.396 1.00 0.00 H new ATOM 0 HA CYS A 50 -0.161 5.730 -1.652 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.109 7.118 -0.151 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.243 8.403 -1.334 1.00 0.00 H new ATOM 764 N SER A 51 -0.249 8.150 -3.924 1.00 0.00 N ATOM 765 CA SER A 51 -1.068 8.689 -4.995 1.00 0.00 C ATOM 766 C SER A 51 -1.489 7.583 -5.968 1.00 0.00 C ATOM 767 O SER A 51 -2.567 7.677 -6.555 1.00 0.00 O ATOM 768 CB SER A 51 -0.347 9.830 -5.718 1.00 0.00 C ATOM 769 OG SER A 51 -0.049 10.879 -4.817 1.00 0.00 O ATOM 0 H SER A 51 0.711 8.496 -3.917 1.00 0.00 H new ATOM 0 HA SER A 51 -1.974 9.104 -4.554 1.00 0.00 H new ATOM 0 HB2 SER A 51 0.573 9.458 -6.169 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.971 10.206 -6.529 1.00 0.00 H new ATOM 0 HG SER A 51 0.466 10.525 -4.062 1.00 0.00 H new ATOM 775 N GLY A 52 -0.698 6.504 -6.079 1.00 0.00 N ATOM 776 CA GLY A 52 -1.109 5.301 -6.795 1.00 0.00 C ATOM 777 C GLY A 52 -2.160 4.515 -6.041 1.00 0.00 C ATOM 778 O GLY A 52 -2.943 3.776 -6.628 1.00 0.00 O ATOM 0 H GLY A 52 0.237 6.447 -5.675 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.499 5.579 -7.774 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.239 4.668 -6.967 1.00 0.00 H new ATOM 782 N PHE A 53 -2.163 4.658 -4.726 1.00 0.00 N ATOM 783 CA PHE A 53 -2.855 3.814 -3.800 1.00 0.00 C ATOM 784 C PHE A 53 -4.315 4.098 -3.621 1.00 0.00 C ATOM 785 O PHE A 53 -5.139 3.193 -3.653 1.00 0.00 O ATOM 786 CB PHE A 53 -2.134 3.961 -2.474 1.00 0.00 C ATOM 787 CG PHE A 53 -1.940 2.611 -1.944 1.00 0.00 C ATOM 788 CD1 PHE A 53 -1.057 1.785 -2.647 1.00 0.00 C ATOM 789 CD2 PHE A 53 -2.719 2.143 -0.891 1.00 0.00 C ATOM 790 CE1 PHE A 53 -0.945 0.452 -2.284 1.00 0.00 C ATOM 791 CE2 PHE A 53 -2.546 0.828 -0.495 1.00 0.00 C ATOM 792 CZ PHE A 53 -1.682 -0.007 -1.190 1.00 0.00 C ATOM 0 H PHE A 53 -1.652 5.410 -4.264 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.837 2.801 -4.201 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.177 4.464 -2.609 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.718 4.567 -1.782 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.470 2.181 -3.462 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.435 2.784 -0.399 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.301 -0.218 -2.835 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.087 0.449 0.360 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.577 -1.035 -0.878 1.00 0.00 H new ATOM 802 N GLU A 54 -4.629 5.365 -3.422 1.00 0.00 N ATOM 803 CA GLU A 54 -6.012 5.791 -3.374 1.00 0.00 C ATOM 804 C GLU A 54 -6.687 5.568 -4.743 1.00 0.00 C ATOM 805 O GLU A 54 -7.908 5.437 -4.788 1.00 0.00 O ATOM 806 CB GLU A 54 -6.071 7.206 -2.785 1.00 0.00 C ATOM 807 CG GLU A 54 -5.666 7.178 -1.290 1.00 0.00 C ATOM 808 CD GLU A 54 -6.763 6.578 -0.407 1.00 0.00 C ATOM 809 OE1 GLU A 54 -7.678 7.343 -0.035 1.00 0.00 O ATOM 810 OE2 GLU A 54 -6.667 5.363 -0.127 1.00 0.00 O ATOM 0 H GLU A 54 -3.947 6.113 -3.292 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.614 5.183 -2.699 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.403 7.867 -3.338 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.078 7.610 -2.889 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.750 6.598 -1.174 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.446 8.192 -0.955 1.00 0.00 H new