USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 384 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 30 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 36 ASN : amide:sc= -4.34! C(o=-4.3!,f=-6.5!) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -0.901 K(o=-0.9,f=-13!) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.141 K(o=-0.14,f=-0.97) USER MOD Single : A 20 ASN :FLIP amide:sc= -0.0208 F(o=-1.1,f=-0.021) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot -78:sc= 1.29 USER MOD Single : A 33 ASN : amide:sc= -2.17! C(o=-2.2!,f=-4.5!) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -135:sc= -1.7 (180deg=-4.11!) USER MOD Single : A 40 TYR OH : rot -121:sc=-0.000157 USER MOD Single : A 41 GLN : amide:sc= -1.35 X(o=-1.3,f=-0.9!) USER MOD Single : A 42 ASN :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD Single : A 44 LYS NZ :NH3+ -110:sc= -2.06 (180deg=-4.33!) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc=-0.00633 X(o=-0.0063,f=-0.0063) USER MOD Single : A 52 LYS NZ :NH3+ -160:sc= -0.479 (180deg=-1.12!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.0958 X(o=-0.096,f=-0.097) USER MOD ----------------------------------------------------------------- ATOM 115 N ILE A 8 -7.310 0.142 7.562 1.00 0.00 N ATOM 116 CA ILE A 8 -6.203 1.045 7.119 1.00 0.00 C ATOM 117 C ILE A 8 -6.162 2.300 8.002 1.00 0.00 C ATOM 118 O ILE A 8 -5.149 2.962 8.101 1.00 0.00 O ATOM 119 CB ILE A 8 -6.430 1.468 5.656 1.00 0.00 C ATOM 120 CG1 ILE A 8 -6.778 0.249 4.774 1.00 0.00 C ATOM 121 CG2 ILE A 8 -5.177 2.163 5.117 1.00 0.00 C ATOM 122 CD1 ILE A 8 -5.601 -0.723 4.647 1.00 0.00 C ATOM 0 HA ILE A 8 -5.258 0.509 7.205 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.271 2.161 5.625 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.635 -0.273 5.199 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -7.074 0.592 3.782 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -5.343 2.460 4.082 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.964 3.047 5.719 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.331 1.478 5.167 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.891 -1.565 4.018 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.752 -0.209 4.197 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -5.322 -1.088 5.636 1.00 0.00 H new ATOM 134 N MET A 9 -7.253 2.640 8.630 1.00 0.00 N ATOM 135 CA MET A 9 -7.267 3.862 9.488 1.00 0.00 C ATOM 136 C MET A 9 -6.292 3.684 10.657 1.00 0.00 C ATOM 137 O MET A 9 -6.054 4.597 11.424 1.00 0.00 O ATOM 138 CB MET A 9 -8.695 4.100 10.017 1.00 0.00 C ATOM 139 CG MET A 9 -9.000 3.170 11.207 1.00 0.00 C ATOM 140 SD MET A 9 -10.792 3.014 11.411 1.00 0.00 S ATOM 141 CE MET A 9 -10.771 2.352 13.095 1.00 0.00 C ATOM 0 H MET A 9 -8.134 2.128 8.588 1.00 0.00 H new ATOM 0 HA MET A 9 -6.956 4.725 8.900 1.00 0.00 H new ATOM 0 HB2 MET A 9 -8.805 5.140 10.325 1.00 0.00 H new ATOM 0 HB3 MET A 9 -9.417 3.926 9.219 1.00 0.00 H new ATOM 0 HG2 MET A 9 -8.556 2.189 11.038 1.00 0.00 H new ATOM 0 HG3 MET A 9 -8.553 3.569 12.118 1.00 0.00 H new ATOM 0 HE1 MET A 9 -11.793 2.177 13.430 1.00 0.00 H new ATOM 0 HE2 MET A 9 -10.218 1.413 13.110 1.00 0.00 H new ATOM 0 HE3 MET A 9 -10.288 3.067 13.761 1.00 0.00 H new ATOM 151 N GLU A 10 -5.737 2.514 10.806 1.00 0.00 N ATOM 152 CA GLU A 10 -4.792 2.275 11.932 1.00 0.00 C ATOM 153 C GLU A 10 -3.659 3.306 11.901 1.00 0.00 C ATOM 154 O GLU A 10 -3.054 3.598 12.913 1.00 0.00 O ATOM 155 CB GLU A 10 -4.216 0.861 11.823 1.00 0.00 C ATOM 156 CG GLU A 10 -3.425 0.712 10.520 1.00 0.00 C ATOM 157 CD GLU A 10 -2.989 -0.745 10.360 1.00 0.00 C ATOM 158 OE1 GLU A 10 -3.828 -1.559 10.014 1.00 0.00 O ATOM 159 OE2 GLU A 10 -1.823 -1.022 10.590 1.00 0.00 O ATOM 0 H GLU A 10 -5.897 1.712 10.196 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.328 2.376 12.876 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.568 0.657 12.676 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.023 0.128 11.853 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.038 1.016 9.672 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.553 1.366 10.533 1.00 0.00 H new ATOM 166 N ASN A 11 -3.366 3.861 10.748 1.00 0.00 N ATOM 167 CA ASN A 11 -2.273 4.877 10.646 1.00 0.00 C ATOM 168 C ASN A 11 -2.710 5.973 9.654 1.00 0.00 C ATOM 169 O ASN A 11 -3.178 5.665 8.576 1.00 0.00 O ATOM 170 CB ASN A 11 -1.001 4.190 10.123 1.00 0.00 C ATOM 171 CG ASN A 11 0.205 5.113 10.317 1.00 0.00 C ATOM 172 OD1 ASN A 11 0.253 6.194 9.766 1.00 0.00 O ATOM 173 ND2 ASN A 11 1.188 4.729 11.085 1.00 0.00 N ATOM 0 H ASN A 11 -3.840 3.652 9.870 1.00 0.00 H new ATOM 0 HA ASN A 11 -2.074 5.320 11.622 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -0.840 3.251 10.652 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.117 3.945 9.067 1.00 0.00 H new ATOM 0 HD21 ASN A 11 1.996 5.337 11.222 1.00 0.00 H new ATOM 0 HD22 ASN A 11 1.149 3.821 11.548 1.00 0.00 H new ATOM 180 N PRO A 12 -2.564 7.240 9.989 1.00 0.00 N ATOM 181 CA PRO A 12 -2.964 8.344 9.067 1.00 0.00 C ATOM 182 C PRO A 12 -1.955 8.490 7.925 1.00 0.00 C ATOM 183 O PRO A 12 -2.181 9.187 6.956 1.00 0.00 O ATOM 184 CB PRO A 12 -2.966 9.584 9.972 1.00 0.00 C ATOM 185 CG PRO A 12 -1.936 9.285 11.015 1.00 0.00 C ATOM 186 CD PRO A 12 -2.009 7.770 11.255 1.00 0.00 C ATOM 0 HA PRO A 12 -3.928 8.174 8.587 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.715 10.485 9.412 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.947 9.749 10.418 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.942 9.580 10.678 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.138 9.836 11.933 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.026 7.351 11.468 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.649 7.530 12.104 1.00 0.00 H new ATOM 194 N ASP A 13 -0.844 7.822 8.045 1.00 0.00 N ATOM 195 CA ASP A 13 0.205 7.888 6.991 1.00 0.00 C ATOM 196 C ASP A 13 -0.268 7.120 5.756 1.00 0.00 C ATOM 197 O ASP A 13 -0.138 7.573 4.637 1.00 0.00 O ATOM 198 CB ASP A 13 1.486 7.244 7.531 1.00 0.00 C ATOM 199 CG ASP A 13 2.648 7.524 6.575 1.00 0.00 C ATOM 200 OD1 ASP A 13 2.639 6.975 5.486 1.00 0.00 O ATOM 201 OD2 ASP A 13 3.527 8.283 6.949 1.00 0.00 O ATOM 0 H ASP A 13 -0.615 7.225 8.839 1.00 0.00 H new ATOM 0 HA ASP A 13 0.396 8.926 6.719 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.714 7.639 8.521 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.345 6.169 7.642 1.00 0.00 H new ATOM 206 N VAL A 14 -0.817 5.956 5.962 1.00 0.00 N ATOM 207 CA VAL A 14 -1.307 5.136 4.821 1.00 0.00 C ATOM 208 C VAL A 14 -2.616 5.728 4.322 1.00 0.00 C ATOM 209 O VAL A 14 -2.871 5.798 3.137 1.00 0.00 O ATOM 210 CB VAL A 14 -1.536 3.702 5.308 1.00 0.00 C ATOM 211 CG1 VAL A 14 -2.052 2.840 4.156 1.00 0.00 C ATOM 212 CG2 VAL A 14 -0.218 3.123 5.836 1.00 0.00 C ATOM 0 H VAL A 14 -0.948 5.534 6.881 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.578 5.132 4.011 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.275 3.708 6.109 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.213 1.821 4.508 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.993 3.250 3.788 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.319 2.834 3.350 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.382 2.103 6.182 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.524 3.121 5.038 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.142 3.734 6.664 1.00 0.00 H new ATOM 222 N ALA A 15 -3.443 6.162 5.222 1.00 0.00 N ATOM 223 CA ALA A 15 -4.734 6.764 4.817 1.00 0.00 C ATOM 224 C ALA A 15 -4.458 8.006 3.971 1.00 0.00 C ATOM 225 O ALA A 15 -5.139 8.281 3.003 1.00 0.00 O ATOM 226 CB ALA A 15 -5.501 7.155 6.073 1.00 0.00 C ATOM 0 H ALA A 15 -3.279 6.125 6.228 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.321 6.054 4.234 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.455 7.601 5.793 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.679 6.268 6.681 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.918 7.877 6.645 1.00 0.00 H new ATOM 232 N MET A 16 -3.448 8.752 4.327 1.00 0.00 N ATOM 233 CA MET A 16 -3.101 9.971 3.548 1.00 0.00 C ATOM 234 C MET A 16 -2.416 9.531 2.261 1.00 0.00 C ATOM 235 O MET A 16 -2.604 10.108 1.208 1.00 0.00 O ATOM 236 CB MET A 16 -2.145 10.839 4.374 1.00 0.00 C ATOM 237 CG MET A 16 -1.966 12.221 3.724 1.00 0.00 C ATOM 238 SD MET A 16 -0.848 12.088 2.305 1.00 0.00 S ATOM 239 CE MET A 16 -0.871 13.835 1.834 1.00 0.00 C ATOM 0 H MET A 16 -2.846 8.567 5.129 1.00 0.00 H new ATOM 0 HA MET A 16 -3.996 10.548 3.316 1.00 0.00 H new ATOM 0 HB2 MET A 16 -2.534 10.955 5.386 1.00 0.00 H new ATOM 0 HB3 MET A 16 -1.178 10.344 4.459 1.00 0.00 H new ATOM 0 HG2 MET A 16 -2.932 12.610 3.403 1.00 0.00 H new ATOM 0 HG3 MET A 16 -1.564 12.926 4.451 1.00 0.00 H new ATOM 0 HE1 MET A 16 -0.235 13.985 0.962 1.00 0.00 H new ATOM 0 HE2 MET A 16 -1.892 14.134 1.595 1.00 0.00 H new ATOM 0 HE3 MET A 16 -0.501 14.440 2.662 1.00 0.00 H new ATOM 249 N ALA A 17 -1.629 8.497 2.344 1.00 0.00 N ATOM 250 CA ALA A 17 -0.933 7.993 1.134 1.00 0.00 C ATOM 251 C ALA A 17 -1.976 7.365 0.220 1.00 0.00 C ATOM 252 O ALA A 17 -1.877 7.412 -0.987 1.00 0.00 O ATOM 253 CB ALA A 17 0.103 6.944 1.543 1.00 0.00 C ATOM 0 H ALA A 17 -1.438 7.979 3.202 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.422 8.806 0.617 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.615 6.573 0.655 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.830 7.395 2.219 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.397 6.116 2.046 1.00 0.00 H new ATOM 259 N PHE A 18 -2.992 6.794 0.797 1.00 0.00 N ATOM 260 CA PHE A 18 -4.069 6.176 -0.022 1.00 0.00 C ATOM 261 C PHE A 18 -4.643 7.250 -0.959 1.00 0.00 C ATOM 262 O PHE A 18 -5.262 6.951 -1.960 1.00 0.00 O ATOM 263 CB PHE A 18 -5.169 5.656 0.928 1.00 0.00 C ATOM 264 CG PHE A 18 -5.039 4.158 1.164 1.00 0.00 C ATOM 265 CD1 PHE A 18 -3.775 3.571 1.324 1.00 0.00 C ATOM 266 CD2 PHE A 18 -6.191 3.359 1.232 1.00 0.00 C ATOM 267 CE1 PHE A 18 -3.666 2.192 1.547 1.00 0.00 C ATOM 268 CE2 PHE A 18 -6.079 1.983 1.457 1.00 0.00 C ATOM 269 CZ PHE A 18 -4.817 1.399 1.614 1.00 0.00 C ATOM 0 H PHE A 18 -3.124 6.728 1.806 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.683 5.347 -0.615 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.107 6.182 1.881 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.150 5.875 0.506 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.886 4.182 1.275 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.166 3.808 1.110 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.692 1.740 1.667 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -6.967 1.371 1.510 1.00 0.00 H new ATOM 0 HZ PHE A 18 -4.731 0.336 1.787 1.00 0.00 H new ATOM 279 N GLN A 19 -4.439 8.500 -0.632 1.00 0.00 N ATOM 280 CA GLN A 19 -4.967 9.603 -1.489 1.00 0.00 C ATOM 281 C GLN A 19 -3.992 9.880 -2.635 1.00 0.00 C ATOM 282 O GLN A 19 -4.036 10.925 -3.254 1.00 0.00 O ATOM 283 CB GLN A 19 -5.125 10.868 -0.643 1.00 0.00 C ATOM 284 CG GLN A 19 -6.031 10.572 0.554 1.00 0.00 C ATOM 285 CD GLN A 19 -6.248 11.854 1.360 1.00 0.00 C ATOM 286 OE1 GLN A 19 -6.049 11.873 2.558 1.00 0.00 O ATOM 287 NE2 GLN A 19 -6.652 12.934 0.749 1.00 0.00 N ATOM 0 H GLN A 19 -3.927 8.805 0.196 1.00 0.00 H new ATOM 0 HA GLN A 19 -5.933 9.310 -1.900 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.150 11.212 -0.298 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -5.551 11.670 -1.245 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.988 10.179 0.211 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -5.580 9.806 1.184 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.819 12.918 -0.257 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -6.801 13.794 1.278 1.00 0.00 H new ATOM 296 N ASN A 20 -3.120 8.944 -2.931 1.00 0.00 N ATOM 297 CA ASN A 20 -2.139 9.129 -4.048 1.00 0.00 C ATOM 298 C ASN A 20 -2.537 8.175 -5.183 1.00 0.00 C ATOM 299 O ASN A 20 -2.969 7.069 -4.927 1.00 0.00 O ATOM 300 CB ASN A 20 -0.728 8.781 -3.546 1.00 0.00 C ATOM 301 CG ASN A 20 -0.214 9.900 -2.636 1.00 0.00 C ATOM 302 OD1 ASN A 20 -0.900 10.230 -1.576 1.00 0.00 O flip ATOM 303 ND2 ASN A 20 0.823 10.478 -2.892 1.00 0.00 N flip ATOM 0 H ASN A 20 -3.046 8.052 -2.442 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.143 10.160 -4.401 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.748 7.837 -3.002 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -0.053 8.648 -4.392 1.00 0.00 H new ATOM 0 HD21 ASN A 20 1.359 10.220 -3.720 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.158 11.221 -2.279 1.00 0.00 H new ATOM 310 N PRO A 21 -2.416 8.581 -6.425 1.00 0.00 N ATOM 311 CA PRO A 21 -2.801 7.709 -7.572 1.00 0.00 C ATOM 312 C PRO A 21 -1.840 6.526 -7.740 1.00 0.00 C ATOM 313 O PRO A 21 -2.253 5.398 -7.921 1.00 0.00 O ATOM 314 CB PRO A 21 -2.746 8.655 -8.783 1.00 0.00 C ATOM 315 CG PRO A 21 -1.744 9.698 -8.398 1.00 0.00 C ATOM 316 CD PRO A 21 -1.901 9.887 -6.884 1.00 0.00 C ATOM 0 HA PRO A 21 -3.781 7.253 -7.436 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.442 8.126 -9.686 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.721 9.097 -8.986 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -0.732 9.380 -8.650 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -1.927 10.632 -8.930 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.951 10.133 -6.410 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -2.593 10.696 -6.650 1.00 0.00 H new ATOM 324 N ARG A 22 -0.562 6.778 -7.677 1.00 0.00 N ATOM 325 CA ARG A 22 0.424 5.672 -7.827 1.00 0.00 C ATOM 326 C ARG A 22 0.173 4.630 -6.734 1.00 0.00 C ATOM 327 O ARG A 22 0.397 3.450 -6.922 1.00 0.00 O ATOM 328 CB ARG A 22 1.845 6.245 -7.695 1.00 0.00 C ATOM 329 CG ARG A 22 2.214 7.055 -8.968 1.00 0.00 C ATOM 330 CD ARG A 22 2.915 8.367 -8.585 1.00 0.00 C ATOM 331 NE ARG A 22 3.996 8.091 -7.596 1.00 0.00 N ATOM 332 CZ ARG A 22 4.821 9.043 -7.247 1.00 0.00 C ATOM 333 NH1 ARG A 22 4.705 10.235 -7.768 1.00 0.00 N ATOM 334 NH2 ARG A 22 5.762 8.803 -6.376 1.00 0.00 N ATOM 0 H ARG A 22 -0.158 7.703 -7.528 1.00 0.00 H new ATOM 0 HA ARG A 22 0.318 5.201 -8.804 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.907 6.886 -6.816 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.560 5.435 -7.550 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.866 6.461 -9.608 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.313 7.271 -9.543 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.334 8.839 -9.474 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.193 9.066 -8.163 1.00 0.00 H new ATOM 0 HE ARG A 22 4.092 7.159 -7.192 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.969 10.425 -8.449 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.350 10.976 -7.494 1.00 0.00 H new ATOM 0 HH21 ARG A 22 5.854 7.873 -5.968 1.00 0.00 H new ATOM 0 HH22 ARG A 22 6.406 9.546 -6.103 1.00 0.00 H new ATOM 348 N VAL A 23 -0.301 5.059 -5.596 1.00 0.00 N ATOM 349 CA VAL A 23 -0.582 4.102 -4.486 1.00 0.00 C ATOM 350 C VAL A 23 -1.856 3.323 -4.812 1.00 0.00 C ATOM 351 O VAL A 23 -1.868 2.108 -4.811 1.00 0.00 O ATOM 352 CB VAL A 23 -0.760 4.880 -3.178 1.00 0.00 C ATOM 353 CG1 VAL A 23 -1.180 3.927 -2.048 1.00 0.00 C ATOM 354 CG2 VAL A 23 0.568 5.550 -2.816 1.00 0.00 C ATOM 0 H VAL A 23 -0.507 6.036 -5.386 1.00 0.00 H new ATOM 0 HA VAL A 23 0.248 3.405 -4.373 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.536 5.634 -3.307 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.303 4.491 -1.123 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.123 3.447 -2.309 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.412 3.166 -1.909 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.453 6.107 -1.886 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.337 4.788 -2.690 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.861 6.233 -3.614 1.00 0.00 H new ATOM 364 N GLN A 24 -2.929 4.010 -5.110 1.00 0.00 N ATOM 365 CA GLN A 24 -4.192 3.298 -5.454 1.00 0.00 C ATOM 366 C GLN A 24 -3.896 2.323 -6.590 1.00 0.00 C ATOM 367 O GLN A 24 -4.444 1.241 -6.664 1.00 0.00 O ATOM 368 CB GLN A 24 -5.248 4.311 -5.904 1.00 0.00 C ATOM 369 CG GLN A 24 -6.581 3.593 -6.131 1.00 0.00 C ATOM 370 CD GLN A 24 -7.669 4.622 -6.443 1.00 0.00 C ATOM 371 OE1 GLN A 24 -7.459 5.526 -7.227 1.00 0.00 O ATOM 372 NE2 GLN A 24 -8.831 4.522 -5.859 1.00 0.00 N ATOM 0 H GLN A 24 -2.983 5.028 -5.130 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.570 2.759 -4.585 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.366 5.089 -5.150 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.927 4.803 -6.822 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.489 2.885 -6.954 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.852 3.019 -5.245 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.007 3.763 -5.201 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.563 5.203 -6.061 1.00 0.00 H new ATOM 381 N ALA A 25 -3.007 2.702 -7.466 1.00 0.00 N ATOM 382 CA ALA A 25 -2.631 1.814 -8.597 1.00 0.00 C ATOM 383 C ALA A 25 -1.738 0.696 -8.063 1.00 0.00 C ATOM 384 O ALA A 25 -1.711 -0.398 -8.590 1.00 0.00 O ATOM 385 CB ALA A 25 -1.863 2.629 -9.638 1.00 0.00 C ATOM 0 H ALA A 25 -2.521 3.599 -7.444 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.523 1.388 -9.057 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.584 1.984 -10.471 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.493 3.440 -10.002 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.964 3.045 -9.184 1.00 0.00 H new ATOM 391 N ALA A 26 -1.010 0.964 -7.014 1.00 0.00 N ATOM 392 CA ALA A 26 -0.121 -0.080 -6.436 1.00 0.00 C ATOM 393 C ALA A 26 -0.982 -1.155 -5.766 1.00 0.00 C ATOM 394 O ALA A 26 -0.782 -2.336 -5.965 1.00 0.00 O ATOM 395 CB ALA A 26 0.815 0.563 -5.406 1.00 0.00 C ATOM 0 H ALA A 26 -0.993 1.863 -6.532 1.00 0.00 H new ATOM 0 HA ALA A 26 0.478 -0.538 -7.223 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.467 -0.200 -4.981 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.420 1.328 -5.892 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.224 1.018 -4.612 1.00 0.00 H new ATOM 401 N LEU A 27 -1.947 -0.753 -4.982 1.00 0.00 N ATOM 402 CA LEU A 27 -2.828 -1.752 -4.312 1.00 0.00 C ATOM 403 C LEU A 27 -3.742 -2.380 -5.367 1.00 0.00 C ATOM 404 O LEU A 27 -3.912 -3.581 -5.420 1.00 0.00 O ATOM 405 CB LEU A 27 -3.677 -1.053 -3.235 1.00 0.00 C ATOM 406 CG LEU A 27 -2.867 -0.888 -1.943 1.00 0.00 C ATOM 407 CD1 LEU A 27 -1.636 -0.014 -2.205 1.00 0.00 C ATOM 408 CD2 LEU A 27 -3.749 -0.227 -0.881 1.00 0.00 C ATOM 0 H LEU A 27 -2.163 0.223 -4.777 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.224 -2.525 -3.837 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.002 -0.077 -3.595 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.577 -1.636 -3.036 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.538 -1.867 -1.594 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.066 0.098 -1.282 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.010 -0.485 -2.963 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.955 0.967 -2.556 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.180 -0.106 0.041 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.076 0.750 -1.236 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.620 -0.854 -0.690 1.00 0.00 H new ATOM 420 N MET A 28 -4.325 -1.575 -6.213 1.00 0.00 N ATOM 421 CA MET A 28 -5.216 -2.130 -7.268 1.00 0.00 C ATOM 422 C MET A 28 -4.411 -3.103 -8.128 1.00 0.00 C ATOM 423 O MET A 28 -4.881 -4.162 -8.494 1.00 0.00 O ATOM 424 CB MET A 28 -5.748 -0.990 -8.141 1.00 0.00 C ATOM 425 CG MET A 28 -6.765 -1.544 -9.143 1.00 0.00 C ATOM 426 SD MET A 28 -7.527 -0.173 -10.051 1.00 0.00 S ATOM 427 CE MET A 28 -8.909 0.130 -8.920 1.00 0.00 C ATOM 0 H MET A 28 -4.223 -0.560 -6.219 1.00 0.00 H new ATOM 0 HA MET A 28 -6.057 -2.650 -6.809 1.00 0.00 H new ATOM 0 HB2 MET A 28 -6.215 -0.228 -7.517 1.00 0.00 H new ATOM 0 HB3 MET A 28 -4.925 -0.509 -8.670 1.00 0.00 H new ATOM 0 HG2 MET A 28 -6.273 -2.225 -9.837 1.00 0.00 H new ATOM 0 HG3 MET A 28 -7.530 -2.118 -8.621 1.00 0.00 H new ATOM 0 HE1 MET A 28 -9.516 0.952 -9.299 1.00 0.00 H new ATOM 0 HE2 MET A 28 -9.521 -0.769 -8.845 1.00 0.00 H new ATOM 0 HE3 MET A 28 -8.522 0.389 -7.934 1.00 0.00 H new ATOM 437 N GLU A 29 -3.193 -2.754 -8.444 1.00 0.00 N ATOM 438 CA GLU A 29 -2.345 -3.658 -9.269 1.00 0.00 C ATOM 439 C GLU A 29 -1.890 -4.839 -8.410 1.00 0.00 C ATOM 440 O GLU A 29 -1.610 -5.910 -8.911 1.00 0.00 O ATOM 441 CB GLU A 29 -1.121 -2.889 -9.776 1.00 0.00 C ATOM 442 CG GLU A 29 -0.280 -3.796 -10.679 1.00 0.00 C ATOM 443 CD GLU A 29 0.832 -2.975 -11.337 1.00 0.00 C ATOM 444 OE1 GLU A 29 0.511 -2.127 -12.153 1.00 0.00 O ATOM 445 OE2 GLU A 29 1.984 -3.208 -11.013 1.00 0.00 O ATOM 0 H GLU A 29 -2.749 -1.879 -8.165 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.917 -4.024 -10.121 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.438 -2.004 -10.327 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.523 -2.542 -8.934 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.151 -4.609 -10.095 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -0.910 -4.252 -11.443 1.00 0.00 H new ATOM 452 N CYS A 30 -1.813 -4.655 -7.118 1.00 0.00 N ATOM 453 CA CYS A 30 -1.374 -5.775 -6.235 1.00 0.00 C ATOM 454 C CYS A 30 -2.301 -6.975 -6.433 1.00 0.00 C ATOM 455 O CYS A 30 -1.879 -8.113 -6.381 1.00 0.00 O ATOM 456 CB CYS A 30 -1.419 -5.323 -4.772 1.00 0.00 C ATOM 457 SG CYS A 30 -0.592 -6.556 -3.736 1.00 0.00 S ATOM 0 H CYS A 30 -2.034 -3.782 -6.638 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.354 -6.061 -6.492 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -0.931 -4.355 -4.664 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.453 -5.196 -4.451 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.627 -6.173 -2.494 1.00 0.00 H new ATOM 463 N SER A 31 -3.565 -6.732 -6.660 1.00 0.00 N ATOM 464 CA SER A 31 -4.519 -7.852 -6.861 1.00 0.00 C ATOM 465 C SER A 31 -3.978 -8.807 -7.930 1.00 0.00 C ATOM 466 O SER A 31 -4.279 -9.984 -7.936 1.00 0.00 O ATOM 467 CB SER A 31 -5.870 -7.295 -7.312 1.00 0.00 C ATOM 468 OG SER A 31 -5.724 -6.688 -8.589 1.00 0.00 O ATOM 0 H SER A 31 -3.976 -5.800 -6.714 1.00 0.00 H new ATOM 0 HA SER A 31 -4.642 -8.394 -5.923 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.609 -8.095 -7.359 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.235 -6.565 -6.589 1.00 0.00 H new ATOM 0 HG SER A 31 -5.309 -5.806 -8.486 1.00 0.00 H new ATOM 474 N GLU A 32 -3.182 -8.305 -8.834 1.00 0.00 N ATOM 475 CA GLU A 32 -2.621 -9.179 -9.903 1.00 0.00 C ATOM 476 C GLU A 32 -1.612 -10.152 -9.295 1.00 0.00 C ATOM 477 O GLU A 32 -1.718 -11.351 -9.453 1.00 0.00 O ATOM 478 CB GLU A 32 -1.910 -8.314 -10.947 1.00 0.00 C ATOM 479 CG GLU A 32 -2.929 -7.414 -11.647 1.00 0.00 C ATOM 480 CD GLU A 32 -2.228 -6.597 -12.734 1.00 0.00 C ATOM 481 OE1 GLU A 32 -1.379 -7.153 -13.410 1.00 0.00 O ATOM 482 OE2 GLU A 32 -2.552 -5.429 -12.871 1.00 0.00 O ATOM 0 H GLU A 32 -2.896 -7.327 -8.879 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.432 -9.736 -10.372 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.141 -7.707 -10.469 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.407 -8.948 -11.677 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.722 -8.019 -12.087 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.399 -6.748 -10.923 1.00 0.00 H new ATOM 489 N ASN A 33 -0.627 -9.641 -8.606 1.00 0.00 N ATOM 490 CA ASN A 33 0.401 -10.532 -7.994 1.00 0.00 C ATOM 491 C ASN A 33 1.495 -9.657 -7.361 1.00 0.00 C ATOM 492 O ASN A 33 1.628 -8.496 -7.692 1.00 0.00 O ATOM 493 CB ASN A 33 1.023 -11.424 -9.100 1.00 0.00 C ATOM 494 CG ASN A 33 0.459 -12.850 -9.040 1.00 0.00 C ATOM 495 OD1 ASN A 33 0.104 -13.341 -7.986 1.00 0.00 O ATOM 496 ND2 ASN A 33 0.371 -13.541 -10.141 1.00 0.00 N ATOM 0 H ASN A 33 -0.490 -8.644 -8.440 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.053 -11.166 -7.232 1.00 0.00 H new ATOM 0 HB2 ASN A 33 0.820 -10.990 -10.079 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.106 -11.453 -8.982 1.00 0.00 H new ATOM 0 HD21 ASN A 33 0.005 -14.493 -10.118 1.00 0.00 H new ATOM 0 HD22 ASN A 33 0.668 -13.130 -11.026 1.00 0.00 H new ATOM 503 N PRO A 34 2.288 -10.211 -6.473 1.00 0.00 N ATOM 504 CA PRO A 34 3.395 -9.459 -5.815 1.00 0.00 C ATOM 505 C PRO A 34 4.294 -8.774 -6.855 1.00 0.00 C ATOM 506 O PRO A 34 5.169 -7.999 -6.522 1.00 0.00 O ATOM 507 CB PRO A 34 4.170 -10.534 -5.015 1.00 0.00 C ATOM 508 CG PRO A 34 3.663 -11.854 -5.519 1.00 0.00 C ATOM 509 CD PRO A 34 2.231 -11.602 -5.990 1.00 0.00 C ATOM 0 HA PRO A 34 3.029 -8.657 -5.174 1.00 0.00 H new ATOM 0 HB2 PRO A 34 5.245 -10.441 -5.172 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.994 -10.429 -3.944 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.283 -12.224 -6.335 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.688 -12.608 -4.732 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.937 -12.293 -6.780 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.512 -11.720 -5.180 1.00 0.00 H new ATOM 517 N MET A 35 4.082 -9.062 -8.112 1.00 0.00 N ATOM 518 CA MET A 35 4.920 -8.438 -9.174 1.00 0.00 C ATOM 519 C MET A 35 4.651 -6.936 -9.207 1.00 0.00 C ATOM 520 O MET A 35 5.314 -6.189 -9.898 1.00 0.00 O ATOM 521 CB MET A 35 4.564 -9.049 -10.532 1.00 0.00 C ATOM 522 CG MET A 35 4.824 -10.558 -10.506 1.00 0.00 C ATOM 523 SD MET A 35 6.609 -10.865 -10.454 1.00 0.00 S ATOM 524 CE MET A 35 6.902 -10.901 -12.241 1.00 0.00 C ATOM 0 H MET A 35 3.364 -9.703 -8.448 1.00 0.00 H new ATOM 0 HA MET A 35 5.974 -8.618 -8.962 1.00 0.00 H new ATOM 0 HB2 MET A 35 3.517 -8.855 -10.765 1.00 0.00 H new ATOM 0 HB3 MET A 35 5.157 -8.582 -11.318 1.00 0.00 H new ATOM 0 HG2 MET A 35 4.342 -11.006 -9.637 1.00 0.00 H new ATOM 0 HG3 MET A 35 4.389 -11.028 -11.388 1.00 0.00 H new ATOM 0 HE1 MET A 35 7.960 -11.081 -12.433 1.00 0.00 H new ATOM 0 HE2 MET A 35 6.311 -11.699 -12.691 1.00 0.00 H new ATOM 0 HE3 MET A 35 6.612 -9.945 -12.677 1.00 0.00 H new ATOM 534 N ASN A 36 3.675 -6.490 -8.468 1.00 0.00 N ATOM 535 CA ASN A 36 3.354 -5.038 -8.460 1.00 0.00 C ATOM 536 C ASN A 36 4.558 -4.245 -7.958 1.00 0.00 C ATOM 537 O ASN A 36 5.063 -3.366 -8.626 1.00 0.00 O ATOM 538 CB ASN A 36 2.170 -4.779 -7.524 1.00 0.00 C ATOM 539 CG ASN A 36 2.416 -5.470 -6.182 1.00 0.00 C ATOM 540 OD1 ASN A 36 3.042 -4.911 -5.304 1.00 0.00 O ATOM 541 ND2 ASN A 36 1.947 -6.670 -5.984 1.00 0.00 N ATOM 0 H ASN A 36 3.086 -7.069 -7.869 1.00 0.00 H new ATOM 0 HA ASN A 36 3.103 -4.726 -9.474 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.040 -3.707 -7.374 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.250 -5.152 -7.973 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.106 -7.139 -5.092 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.421 -7.140 -6.721 1.00 0.00 H new ATOM 548 N ILE A 37 5.002 -4.539 -6.771 1.00 0.00 N ATOM 549 CA ILE A 37 6.150 -3.794 -6.196 1.00 0.00 C ATOM 550 C ILE A 37 7.376 -3.948 -7.099 1.00 0.00 C ATOM 551 O ILE A 37 8.167 -3.037 -7.249 1.00 0.00 O ATOM 552 CB ILE A 37 6.431 -4.330 -4.777 1.00 0.00 C ATOM 553 CG1 ILE A 37 7.221 -3.286 -3.964 1.00 0.00 C ATOM 554 CG2 ILE A 37 7.228 -5.646 -4.842 1.00 0.00 C ATOM 555 CD1 ILE A 37 6.357 -2.036 -3.695 1.00 0.00 C ATOM 0 H ILE A 37 4.616 -5.268 -6.171 1.00 0.00 H new ATOM 0 HA ILE A 37 5.915 -2.732 -6.132 1.00 0.00 H new ATOM 0 HB ILE A 37 5.476 -4.522 -4.288 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.543 -3.722 -3.018 1.00 0.00 H new ATOM 0 HG13 ILE A 37 8.122 -3.001 -4.507 1.00 0.00 H new ATOM 0 HG21 ILE A 37 7.416 -6.008 -3.831 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.655 -6.391 -5.393 1.00 0.00 H new ATOM 0 HG23 ILE A 37 8.178 -5.472 -5.347 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.934 -1.312 -3.120 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.057 -1.590 -4.643 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.469 -2.322 -3.132 1.00 0.00 H new ATOM 567 N MET A 38 7.539 -5.090 -7.706 1.00 0.00 N ATOM 568 CA MET A 38 8.710 -5.293 -8.602 1.00 0.00 C ATOM 569 C MET A 38 8.706 -4.212 -9.686 1.00 0.00 C ATOM 570 O MET A 38 9.698 -3.977 -10.347 1.00 0.00 O ATOM 571 CB MET A 38 8.616 -6.678 -9.250 1.00 0.00 C ATOM 572 CG MET A 38 8.845 -7.761 -8.191 1.00 0.00 C ATOM 573 SD MET A 38 8.918 -9.384 -8.992 1.00 0.00 S ATOM 574 CE MET A 38 10.695 -9.402 -9.343 1.00 0.00 C ATOM 0 H MET A 38 6.913 -5.890 -7.620 1.00 0.00 H new ATOM 0 HA MET A 38 9.634 -5.226 -8.027 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.637 -6.808 -9.711 1.00 0.00 H new ATOM 0 HB3 MET A 38 9.357 -6.770 -10.044 1.00 0.00 H new ATOM 0 HG2 MET A 38 9.773 -7.567 -7.652 1.00 0.00 H new ATOM 0 HG3 MET A 38 8.040 -7.742 -7.456 1.00 0.00 H new ATOM 0 HE1 MET A 38 10.957 -10.333 -9.845 1.00 0.00 H new ATOM 0 HE2 MET A 38 10.947 -8.559 -9.987 1.00 0.00 H new ATOM 0 HE3 MET A 38 11.251 -9.324 -8.409 1.00 0.00 H new ATOM 584 N LYS A 39 7.589 -3.547 -9.864 1.00 0.00 N ATOM 585 CA LYS A 39 7.492 -2.467 -10.896 1.00 0.00 C ATOM 586 C LYS A 39 7.605 -1.101 -10.213 1.00 0.00 C ATOM 587 O LYS A 39 8.334 -0.235 -10.653 1.00 0.00 O ATOM 588 CB LYS A 39 6.138 -2.566 -11.604 1.00 0.00 C ATOM 589 CG LYS A 39 6.051 -3.894 -12.367 1.00 0.00 C ATOM 590 CD LYS A 39 4.609 -4.138 -12.835 1.00 0.00 C ATOM 591 CE LYS A 39 4.133 -2.976 -13.723 1.00 0.00 C ATOM 592 NZ LYS A 39 3.669 -1.851 -12.863 1.00 0.00 N ATOM 0 H LYS A 39 6.733 -3.708 -9.333 1.00 0.00 H new ATOM 0 HA LYS A 39 8.297 -2.581 -11.622 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.330 -2.500 -10.876 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.015 -1.731 -12.293 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.722 -3.874 -13.226 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.377 -4.713 -11.726 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.553 -5.075 -13.389 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.951 -4.238 -11.972 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.945 -2.643 -14.370 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.324 -3.309 -14.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.768 -1.482 -13.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.533 -2.191 -11.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.381 -1.093 -12.868 1.00 0.00 H new ATOM 606 N TYR A 40 6.887 -0.901 -9.138 1.00 0.00 N ATOM 607 CA TYR A 40 6.947 0.400 -8.425 1.00 0.00 C ATOM 608 C TYR A 40 8.250 0.483 -7.633 1.00 0.00 C ATOM 609 O TYR A 40 8.469 1.404 -6.871 1.00 0.00 O ATOM 610 CB TYR A 40 5.761 0.498 -7.469 1.00 0.00 C ATOM 611 CG TYR A 40 4.479 0.354 -8.253 1.00 0.00 C ATOM 612 CD1 TYR A 40 4.088 1.378 -9.120 1.00 0.00 C ATOM 613 CD2 TYR A 40 3.687 -0.796 -8.124 1.00 0.00 C ATOM 614 CE1 TYR A 40 2.909 1.258 -9.861 1.00 0.00 C ATOM 615 CE2 TYR A 40 2.506 -0.915 -8.865 1.00 0.00 C ATOM 616 CZ TYR A 40 2.117 0.111 -9.734 1.00 0.00 C ATOM 617 OH TYR A 40 0.952 -0.008 -10.465 1.00 0.00 O ATOM 0 H TYR A 40 6.259 -1.590 -8.725 1.00 0.00 H new ATOM 0 HA TYR A 40 6.908 1.219 -9.143 1.00 0.00 H new ATOM 0 HB2 TYR A 40 5.826 -0.280 -6.709 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.777 1.455 -6.947 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.698 2.264 -9.218 1.00 0.00 H new ATOM 0 HD2 TYR A 40 3.988 -1.588 -7.454 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.609 2.050 -10.531 1.00 0.00 H new ATOM 0 HE2 TYR A 40 1.894 -1.799 -8.766 1.00 0.00 H new ATOM 0 HH TYR A 40 0.193 -0.122 -9.855 1.00 0.00 H new ATOM 627 N GLN A 41 9.119 -0.475 -7.808 1.00 0.00 N ATOM 628 CA GLN A 41 10.411 -0.455 -7.069 1.00 0.00 C ATOM 629 C GLN A 41 11.110 0.886 -7.305 1.00 0.00 C ATOM 630 O GLN A 41 11.872 1.355 -6.484 1.00 0.00 O ATOM 631 CB GLN A 41 11.297 -1.598 -7.570 1.00 0.00 C ATOM 632 CG GLN A 41 11.362 -1.569 -9.099 1.00 0.00 C ATOM 633 CD GLN A 41 12.325 -2.651 -9.589 1.00 0.00 C ATOM 634 OE1 GLN A 41 11.999 -3.822 -9.580 1.00 0.00 O ATOM 635 NE2 GLN A 41 13.508 -2.308 -10.020 1.00 0.00 N ATOM 0 H GLN A 41 8.989 -1.271 -8.432 1.00 0.00 H new ATOM 0 HA GLN A 41 10.228 -0.581 -6.002 1.00 0.00 H new ATOM 0 HB2 GLN A 41 12.299 -1.504 -7.152 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.899 -2.555 -7.231 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.370 -1.733 -9.519 1.00 0.00 H new ATOM 0 HG3 GLN A 41 11.695 -0.589 -9.441 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.783 -1.326 -10.028 1.00 0.00 H new ATOM 0 HE22 GLN A 41 14.158 -3.022 -10.349 1.00 0.00 H new ATOM 644 N ASN A 42 10.845 1.509 -8.423 1.00 0.00 N ATOM 645 CA ASN A 42 11.480 2.826 -8.721 1.00 0.00 C ATOM 646 C ASN A 42 10.649 3.936 -8.078 1.00 0.00 C ATOM 647 O ASN A 42 11.139 5.014 -7.806 1.00 0.00 O ATOM 648 CB ASN A 42 11.527 3.037 -10.236 1.00 0.00 C ATOM 649 CG ASN A 42 12.403 1.958 -10.875 1.00 0.00 C ATOM 650 OD1 ASN A 42 13.498 1.583 -10.272 1.00 0.00 O flip ATOM 651 ND2 ASN A 42 12.089 1.452 -11.934 1.00 0.00 N flip ATOM 0 H ASN A 42 10.214 1.161 -9.145 1.00 0.00 H new ATOM 0 HA ASN A 42 12.494 2.846 -8.322 1.00 0.00 H new ATOM 0 HB2 ASN A 42 10.520 2.996 -10.651 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.925 4.026 -10.464 1.00 0.00 H new ATOM 0 HD21 ASN A 42 11.233 1.745 -12.405 1.00 0.00 H new ATOM 0 HD22 ASN A 42 12.681 0.734 -12.352 1.00 0.00 H new ATOM 658 N ASP A 43 9.389 3.682 -7.833 1.00 0.00 N ATOM 659 CA ASP A 43 8.523 4.723 -7.206 1.00 0.00 C ATOM 660 C ASP A 43 8.787 4.755 -5.696 1.00 0.00 C ATOM 661 O ASP A 43 8.132 4.079 -4.925 1.00 0.00 O ATOM 662 CB ASP A 43 7.051 4.381 -7.476 1.00 0.00 C ATOM 663 CG ASP A 43 6.176 5.607 -7.200 1.00 0.00 C ATOM 664 OD1 ASP A 43 6.541 6.386 -6.335 1.00 0.00 O ATOM 665 OD2 ASP A 43 5.158 5.745 -7.858 1.00 0.00 O ATOM 0 H ASP A 43 8.923 2.799 -8.040 1.00 0.00 H new ATOM 0 HA ASP A 43 8.748 5.702 -7.629 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.926 4.059 -8.510 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.739 3.550 -6.843 1.00 0.00 H new ATOM 670 N LYS A 44 9.753 5.526 -5.272 1.00 0.00 N ATOM 671 CA LYS A 44 10.090 5.597 -3.825 1.00 0.00 C ATOM 672 C LYS A 44 8.828 5.842 -2.989 1.00 0.00 C ATOM 673 O LYS A 44 8.740 5.422 -1.852 1.00 0.00 O ATOM 674 CB LYS A 44 11.090 6.740 -3.597 1.00 0.00 C ATOM 675 CG LYS A 44 11.686 6.642 -2.186 1.00 0.00 C ATOM 676 CD LYS A 44 12.465 7.923 -1.855 1.00 0.00 C ATOM 677 CE LYS A 44 13.579 8.153 -2.888 1.00 0.00 C ATOM 678 NZ LYS A 44 13.009 8.816 -4.095 1.00 0.00 N ATOM 0 H LYS A 44 10.327 6.115 -5.875 1.00 0.00 H new ATOM 0 HA LYS A 44 10.531 4.649 -3.516 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.885 6.692 -4.341 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.592 7.701 -3.724 1.00 0.00 H new ATOM 0 HG2 LYS A 44 10.891 6.491 -1.456 1.00 0.00 H new ATOM 0 HG3 LYS A 44 12.347 5.778 -2.121 1.00 0.00 H new ATOM 0 HD2 LYS A 44 11.787 8.776 -1.845 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.896 7.847 -0.857 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.366 8.772 -2.458 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.036 7.202 -3.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 13.006 8.146 -4.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.035 9.122 -3.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.588 9.644 -4.342 1.00 0.00 H new ATOM 692 N GLU A 45 7.855 6.517 -3.534 1.00 0.00 N ATOM 693 CA GLU A 45 6.611 6.782 -2.756 1.00 0.00 C ATOM 694 C GLU A 45 5.916 5.454 -2.439 1.00 0.00 C ATOM 695 O GLU A 45 5.572 5.177 -1.309 1.00 0.00 O ATOM 696 CB GLU A 45 5.674 7.674 -3.582 1.00 0.00 C ATOM 697 CG GLU A 45 4.517 8.178 -2.707 1.00 0.00 C ATOM 698 CD GLU A 45 5.041 9.199 -1.693 1.00 0.00 C ATOM 699 OE1 GLU A 45 5.252 10.336 -2.082 1.00 0.00 O ATOM 700 OE2 GLU A 45 5.220 8.826 -0.545 1.00 0.00 O ATOM 0 H GLU A 45 7.866 6.896 -4.481 1.00 0.00 H new ATOM 0 HA GLU A 45 6.862 7.288 -1.824 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.229 8.520 -3.987 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.281 7.114 -4.431 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.748 8.633 -3.331 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.051 7.341 -2.187 1.00 0.00 H new ATOM 707 N VAL A 46 5.709 4.634 -3.431 1.00 0.00 N ATOM 708 CA VAL A 46 5.036 3.325 -3.199 1.00 0.00 C ATOM 709 C VAL A 46 5.915 2.455 -2.310 1.00 0.00 C ATOM 710 O VAL A 46 5.434 1.643 -1.555 1.00 0.00 O ATOM 711 CB VAL A 46 4.827 2.612 -4.534 1.00 0.00 C ATOM 712 CG1 VAL A 46 4.096 1.284 -4.305 1.00 0.00 C ATOM 713 CG2 VAL A 46 3.996 3.497 -5.466 1.00 0.00 C ATOM 0 H VAL A 46 5.978 4.815 -4.398 1.00 0.00 H new ATOM 0 HA VAL A 46 4.073 3.497 -2.718 1.00 0.00 H new ATOM 0 HB VAL A 46 5.798 2.416 -4.989 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.950 0.780 -5.260 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.691 0.650 -3.647 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.127 1.477 -3.844 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.849 2.986 -6.417 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.027 3.699 -5.008 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.519 4.438 -5.637 1.00 0.00 H new ATOM 723 N MET A 47 7.201 2.614 -2.396 1.00 0.00 N ATOM 724 CA MET A 47 8.105 1.788 -1.552 1.00 0.00 C ATOM 725 C MET A 47 7.858 2.143 -0.094 1.00 0.00 C ATOM 726 O MET A 47 7.772 1.290 0.754 1.00 0.00 O ATOM 727 CB MET A 47 9.565 2.077 -1.915 1.00 0.00 C ATOM 728 CG MET A 47 9.863 1.554 -3.323 1.00 0.00 C ATOM 729 SD MET A 47 9.896 -0.258 -3.301 1.00 0.00 S ATOM 730 CE MET A 47 11.654 -0.465 -2.918 1.00 0.00 C ATOM 0 H MET A 47 7.667 3.279 -3.013 1.00 0.00 H new ATOM 0 HA MET A 47 7.907 0.729 -1.719 1.00 0.00 H new ATOM 0 HB2 MET A 47 9.756 3.149 -1.868 1.00 0.00 H new ATOM 0 HB3 MET A 47 10.230 1.603 -1.193 1.00 0.00 H new ATOM 0 HG2 MET A 47 9.104 1.906 -4.021 1.00 0.00 H new ATOM 0 HG3 MET A 47 10.820 1.941 -3.671 1.00 0.00 H new ATOM 0 HE1 MET A 47 11.891 -1.527 -2.858 1.00 0.00 H new ATOM 0 HE2 MET A 47 12.254 -0.003 -3.702 1.00 0.00 H new ATOM 0 HE3 MET A 47 11.877 0.011 -1.963 1.00 0.00 H new ATOM 740 N ASP A 48 7.732 3.401 0.195 1.00 0.00 N ATOM 741 CA ASP A 48 7.479 3.824 1.596 1.00 0.00 C ATOM 742 C ASP A 48 6.113 3.294 2.047 1.00 0.00 C ATOM 743 O ASP A 48 5.902 2.971 3.201 1.00 0.00 O ATOM 744 CB ASP A 48 7.477 5.358 1.644 1.00 0.00 C ATOM 745 CG ASP A 48 8.917 5.882 1.643 1.00 0.00 C ATOM 746 OD1 ASP A 48 9.472 6.030 0.566 1.00 0.00 O ATOM 747 OD2 ASP A 48 9.439 6.125 2.718 1.00 0.00 O ATOM 0 H ASP A 48 7.793 4.161 -0.482 1.00 0.00 H new ATOM 0 HA ASP A 48 8.251 3.429 2.257 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.935 5.757 0.786 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.956 5.702 2.538 1.00 0.00 H new ATOM 752 N VAL A 49 5.183 3.215 1.140 1.00 0.00 N ATOM 753 CA VAL A 49 3.819 2.734 1.493 1.00 0.00 C ATOM 754 C VAL A 49 3.813 1.216 1.632 1.00 0.00 C ATOM 755 O VAL A 49 3.397 0.671 2.634 1.00 0.00 O ATOM 756 CB VAL A 49 2.872 3.141 0.361 1.00 0.00 C ATOM 757 CG1 VAL A 49 1.480 2.532 0.581 1.00 0.00 C ATOM 758 CG2 VAL A 49 2.777 4.666 0.324 1.00 0.00 C ATOM 0 H VAL A 49 5.310 3.465 0.159 1.00 0.00 H new ATOM 0 HA VAL A 49 3.504 3.170 2.441 1.00 0.00 H new ATOM 0 HB VAL A 49 3.259 2.770 -0.588 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.819 2.831 -0.233 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.558 1.445 0.604 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.073 2.887 1.528 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.105 4.969 -0.479 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.392 5.030 1.277 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.766 5.088 0.148 1.00 0.00 H new ATOM 768 N PHE A 50 4.249 0.535 0.620 1.00 0.00 N ATOM 769 CA PHE A 50 4.252 -0.945 0.660 1.00 0.00 C ATOM 770 C PHE A 50 5.276 -1.427 1.692 1.00 0.00 C ATOM 771 O PHE A 50 5.139 -2.492 2.264 1.00 0.00 O ATOM 772 CB PHE A 50 4.545 -1.490 -0.759 1.00 0.00 C ATOM 773 CG PHE A 50 3.288 -2.160 -1.284 1.00 0.00 C ATOM 774 CD1 PHE A 50 2.791 -3.297 -0.636 1.00 0.00 C ATOM 775 CD2 PHE A 50 2.601 -1.627 -2.383 1.00 0.00 C ATOM 776 CE1 PHE A 50 1.614 -3.900 -1.084 1.00 0.00 C ATOM 777 CE2 PHE A 50 1.426 -2.234 -2.834 1.00 0.00 C ATOM 778 CZ PHE A 50 0.930 -3.371 -2.183 1.00 0.00 C ATOM 0 H PHE A 50 4.607 0.944 -0.243 1.00 0.00 H new ATOM 0 HA PHE A 50 3.277 -1.324 0.967 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.848 -0.679 -1.422 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.370 -2.202 -0.729 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.319 -3.708 0.212 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.980 -0.747 -2.881 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.231 -4.776 -0.581 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.900 -1.826 -3.685 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.020 -3.839 -2.530 1.00 0.00 H new ATOM 788 N ASN A 51 6.281 -0.641 1.961 1.00 0.00 N ATOM 789 CA ASN A 51 7.288 -1.048 2.984 1.00 0.00 C ATOM 790 C ASN A 51 6.702 -0.770 4.363 1.00 0.00 C ATOM 791 O ASN A 51 7.051 -1.402 5.338 1.00 0.00 O ATOM 792 CB ASN A 51 8.583 -0.251 2.814 1.00 0.00 C ATOM 793 CG ASN A 51 9.607 -0.720 3.849 1.00 0.00 C ATOM 794 OD1 ASN A 51 9.940 0.007 4.764 1.00 0.00 O ATOM 795 ND2 ASN A 51 10.124 -1.913 3.743 1.00 0.00 N ATOM 0 H ASN A 51 6.450 0.263 1.519 1.00 0.00 H new ATOM 0 HA ASN A 51 7.519 -2.107 2.867 1.00 0.00 H new ATOM 0 HB2 ASN A 51 8.978 -0.388 1.807 1.00 0.00 H new ATOM 0 HB3 ASN A 51 8.387 0.814 2.937 1.00 0.00 H new ATOM 0 HD21 ASN A 51 10.808 -2.235 4.428 1.00 0.00 H new ATOM 0 HD22 ASN A 51 9.845 -2.523 2.975 1.00 0.00 H new ATOM 802 N LYS A 52 5.793 0.168 4.449 1.00 0.00 N ATOM 803 CA LYS A 52 5.168 0.474 5.765 1.00 0.00 C ATOM 804 C LYS A 52 4.118 -0.591 6.031 1.00 0.00 C ATOM 805 O LYS A 52 3.973 -1.104 7.122 1.00 0.00 O ATOM 806 CB LYS A 52 4.493 1.847 5.706 1.00 0.00 C ATOM 807 CG LYS A 52 3.819 2.148 7.051 1.00 0.00 C ATOM 808 CD LYS A 52 3.347 3.619 7.102 1.00 0.00 C ATOM 809 CE LYS A 52 4.484 4.532 7.584 1.00 0.00 C ATOM 810 NZ LYS A 52 4.906 4.122 8.953 1.00 0.00 N ATOM 0 H LYS A 52 5.460 0.731 3.667 1.00 0.00 H new ATOM 0 HA LYS A 52 5.920 0.484 6.554 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.230 2.616 5.477 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.754 1.866 4.905 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.969 1.482 7.196 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.517 1.955 7.866 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.013 3.935 6.113 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.491 3.710 7.771 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.329 4.471 6.898 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.153 5.570 7.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.410 4.908 9.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.067 3.875 9.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.536 3.297 8.890 1.00 0.00 H new ATOM 824 N ILE A 53 3.391 -0.915 5.010 1.00 0.00 N ATOM 825 CA ILE A 53 2.329 -1.941 5.113 1.00 0.00 C ATOM 826 C ILE A 53 2.953 -3.270 5.539 1.00 0.00 C ATOM 827 O ILE A 53 2.351 -4.055 6.231 1.00 0.00 O ATOM 828 CB ILE A 53 1.670 -2.058 3.714 1.00 0.00 C ATOM 829 CG1 ILE A 53 0.324 -1.320 3.696 1.00 0.00 C ATOM 830 CG2 ILE A 53 1.447 -3.520 3.305 1.00 0.00 C ATOM 831 CD1 ILE A 53 0.486 0.123 4.198 1.00 0.00 C ATOM 0 H ILE A 53 3.491 -0.501 4.083 1.00 0.00 H new ATOM 0 HA ILE A 53 1.578 -1.671 5.856 1.00 0.00 H new ATOM 0 HB ILE A 53 2.355 -1.603 2.998 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.079 -1.314 2.683 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.394 -1.849 4.322 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.984 -3.555 2.319 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.405 -4.039 3.275 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.794 -4.005 4.030 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.481 0.626 4.176 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.867 0.112 5.219 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.187 0.655 3.555 1.00 0.00 H new ATOM 843 N SER A 54 4.133 -3.546 5.086 1.00 0.00 N ATOM 844 CA SER A 54 4.785 -4.846 5.430 1.00 0.00 C ATOM 845 C SER A 54 5.461 -4.789 6.806 1.00 0.00 C ATOM 846 O SER A 54 5.576 -5.785 7.491 1.00 0.00 O ATOM 847 CB SER A 54 5.835 -5.163 4.369 1.00 0.00 C ATOM 848 OG SER A 54 6.277 -6.504 4.528 1.00 0.00 O ATOM 0 H SER A 54 4.684 -2.930 4.489 1.00 0.00 H new ATOM 0 HA SER A 54 4.018 -5.620 5.462 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.415 -5.023 3.373 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.678 -4.478 4.459 1.00 0.00 H new ATOM 0 HG SER A 54 6.950 -6.710 3.846 1.00 0.00 H new ATOM 854 N GLN A 55 5.951 -3.645 7.193 1.00 0.00 N ATOM 855 CA GLN A 55 6.673 -3.537 8.504 1.00 0.00 C ATOM 856 C GLN A 55 5.701 -3.328 9.672 1.00 0.00 C ATOM 857 O GLN A 55 5.883 -3.875 10.741 1.00 0.00 O ATOM 858 CB GLN A 55 7.646 -2.353 8.441 1.00 0.00 C ATOM 859 CG GLN A 55 8.778 -2.659 7.449 1.00 0.00 C ATOM 860 CD GLN A 55 9.716 -3.714 8.043 1.00 0.00 C ATOM 861 OE1 GLN A 55 10.377 -3.468 9.032 1.00 0.00 O ATOM 862 NE2 GLN A 55 9.801 -4.886 7.476 1.00 0.00 N ATOM 0 H GLN A 55 5.886 -2.776 6.662 1.00 0.00 H new ATOM 0 HA GLN A 55 7.209 -4.470 8.675 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.116 -1.451 8.134 1.00 0.00 H new ATOM 0 HB3 GLN A 55 8.060 -2.158 9.430 1.00 0.00 H new ATOM 0 HG2 GLN A 55 8.362 -3.018 6.507 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.334 -1.749 7.226 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.246 -5.092 6.646 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.423 -5.596 7.863 1.00 0.00 H new ATOM 871 N LEU A 56 4.690 -2.524 9.496 1.00 0.00 N ATOM 872 CA LEU A 56 3.734 -2.265 10.624 1.00 0.00 C ATOM 873 C LEU A 56 2.689 -3.383 10.701 1.00 0.00 C ATOM 874 O LEU A 56 1.772 -3.326 11.497 1.00 0.00 O ATOM 875 CB LEU A 56 3.034 -0.914 10.399 1.00 0.00 C ATOM 876 CG LEU A 56 3.956 0.235 10.834 1.00 0.00 C ATOM 877 CD1 LEU A 56 5.277 0.171 10.050 1.00 0.00 C ATOM 878 CD2 LEU A 56 3.255 1.574 10.571 1.00 0.00 C ATOM 0 H LEU A 56 4.480 -2.034 8.626 1.00 0.00 H new ATOM 0 HA LEU A 56 4.288 -2.239 11.562 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.771 -0.802 9.347 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.103 -0.879 10.965 1.00 0.00 H new ATOM 0 HG LEU A 56 4.174 0.143 11.898 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.926 0.989 10.363 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.771 -0.780 10.247 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.072 0.259 8.983 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.906 2.392 10.878 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.034 1.666 9.508 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.326 1.616 11.140 1.00 0.00 H new