USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 547 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 28 ASN : amide:sc= -1.28 K(o=-4.2,f=-6.8!) USER MOD Set 1.2: A 75 ASN :FLIP amide:sc= -2.88! C(o=-7.4!,f=-4.2!) USER MOD Set 2.1: A 18 LYS NZ :NH3+ 175:sc= -0.223 (180deg=-0.234) USER MOD Set 2.2: A 51 HIS : no HD1:sc= -2.18 K(o=-2.4,f=-6.8!) USER MOD Set 3.1: A 30 GLN : amide:sc= -3.85! C(o=-4.2!,f=-5!) USER MOD Set 3.2: A 79 ASN : amide:sc= -0.376 K(o=-4.2,f=-6.6!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 158:sc= -1.79 USER MOD Single : A 15 ASN : amide:sc= -1.58 K(o=-1.6,f=-3.4!) USER MOD Single : A 16 GLN : amide:sc= -3.9! C(o=-3.9!,f=-7.1!) USER MOD Single : A 19 GLN : amide:sc= -0.249 X(o=-0.25,f=-0.53) USER MOD Single : A 23 SER OG : rot 80:sc= 1.19 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -6.24! C(o=-6.2!,f=-15!) USER MOD Single : A 46 GLN : amide:sc= -3.9! C(o=-3.9!,f=-5.6!) USER MOD Single : A 52 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.065) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 MET CE :methyl 180:sc= -0.234 (180deg=-0.234) USER MOD Single : A 61 CYS SG : rot -81:sc= -0.87 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -154:sc= -2.7! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.109 K(o=-0.11,f=-0.7) USER MOD Single : A 73 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0407) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 92 N LYS A 8 3.495 50.714 1.572 1.00 0.00 N ATOM 93 CA LYS A 8 3.715 49.317 1.930 1.00 0.00 C ATOM 94 C LYS A 8 5.186 49.068 2.255 1.00 0.00 C ATOM 95 O LYS A 8 6.038 49.926 2.024 1.00 0.00 O ATOM 96 CB LYS A 8 3.286 48.424 0.769 1.00 0.00 C ATOM 97 CG LYS A 8 1.814 48.689 0.440 1.00 0.00 C ATOM 98 CD LYS A 8 1.360 47.733 -0.664 1.00 0.00 C ATOM 99 CE LYS A 8 -0.013 48.163 -1.185 1.00 0.00 C ATOM 100 NZ LYS A 8 -0.475 47.193 -2.218 1.00 0.00 N1+ ATOM 0 HA LYS A 8 3.122 49.083 2.815 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.907 48.622 -0.105 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.429 47.375 1.030 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.200 48.551 1.330 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.682 49.722 0.119 1.00 0.00 H new ATOM 0 HD2 LYS A 8 2.085 47.732 -1.478 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.311 46.714 -0.279 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.729 48.206 -0.364 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.044 49.165 -1.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.408 47.483 -2.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.205 47.174 -3.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.544 46.244 -1.797 1.00 0.00 H new ATOM 114 N PHE A 9 5.475 47.887 2.797 1.00 0.00 N ATOM 115 CA PHE A 9 6.844 47.533 3.159 1.00 0.00 C ATOM 116 C PHE A 9 7.667 47.176 1.926 1.00 0.00 C ATOM 117 O PHE A 9 7.152 46.603 0.966 1.00 0.00 O ATOM 118 CB PHE A 9 6.829 46.356 4.136 1.00 0.00 C ATOM 119 CG PHE A 9 6.370 46.850 5.483 1.00 0.00 C ATOM 120 CD1 PHE A 9 7.254 47.568 6.299 1.00 0.00 C ATOM 121 CD2 PHE A 9 5.059 46.612 5.912 1.00 0.00 C ATOM 122 CE1 PHE A 9 6.827 48.044 7.545 1.00 0.00 C ATOM 123 CE2 PHE A 9 4.632 47.090 7.156 1.00 0.00 C ATOM 124 CZ PHE A 9 5.516 47.805 7.973 1.00 0.00 C ATOM 0 H PHE A 9 4.784 47.163 2.994 1.00 0.00 H new ATOM 0 HA PHE A 9 7.308 48.398 3.634 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.163 45.573 3.774 1.00 0.00 H new ATOM 0 HB3 PHE A 9 7.824 45.917 4.214 1.00 0.00 H new ATOM 0 HD1 PHE A 9 8.265 47.754 5.967 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.377 46.059 5.283 1.00 0.00 H new ATOM 0 HE1 PHE A 9 7.509 48.595 8.175 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.620 46.907 7.486 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.186 48.172 8.934 1.00 0.00 H new ATOM 134 N THR A 10 8.948 47.537 1.958 1.00 0.00 N ATOM 135 CA THR A 10 9.838 47.268 0.831 1.00 0.00 C ATOM 136 C THR A 10 10.354 45.839 0.880 1.00 0.00 C ATOM 137 O THR A 10 10.310 45.188 1.923 1.00 0.00 O ATOM 138 CB THR A 10 11.022 48.236 0.853 1.00 0.00 C ATOM 139 OG1 THR A 10 11.721 48.095 2.079 1.00 0.00 O ATOM 140 CG2 THR A 10 10.518 49.673 0.708 1.00 0.00 C ATOM 0 H THR A 10 9.390 48.012 2.745 1.00 0.00 H new ATOM 0 HA THR A 10 9.271 47.406 -0.089 1.00 0.00 H new ATOM 0 HB THR A 10 11.692 48.009 0.024 1.00 0.00 H new ATOM 0 HG1 THR A 10 12.638 48.423 1.972 1.00 0.00 H new ATOM 0 HG21 THR A 10 11.365 50.359 0.724 1.00 0.00 H new ATOM 0 HG22 THR A 10 9.984 49.778 -0.237 1.00 0.00 H new ATOM 0 HG23 THR A 10 9.845 49.908 1.533 1.00 0.00 H new ATOM 148 N ASP A 11 10.823 45.347 -0.263 1.00 0.00 N ATOM 149 CA ASP A 11 11.323 43.986 -0.344 1.00 0.00 C ATOM 150 C ASP A 11 12.399 43.734 0.707 1.00 0.00 C ATOM 151 O ASP A 11 12.400 42.693 1.362 1.00 0.00 O ATOM 152 CB ASP A 11 11.891 43.729 -1.740 1.00 0.00 C ATOM 153 CG ASP A 11 10.765 43.749 -2.770 1.00 0.00 C ATOM 154 OD1 ASP A 11 9.620 43.837 -2.361 1.00 0.00 O ATOM 155 OD2 ASP A 11 11.065 43.673 -3.950 1.00 0.00 O1- ATOM 0 H ASP A 11 10.866 45.869 -1.138 1.00 0.00 H new ATOM 0 HA ASP A 11 10.495 43.303 -0.154 1.00 0.00 H new ATOM 0 HB2 ASP A 11 12.634 44.488 -1.985 1.00 0.00 H new ATOM 0 HB3 ASP A 11 12.400 42.765 -1.763 1.00 0.00 H new ATOM 160 N ASP A 12 13.310 44.689 0.873 1.00 0.00 N ATOM 161 CA ASP A 12 14.372 44.533 1.863 1.00 0.00 C ATOM 162 C ASP A 12 13.801 44.551 3.276 1.00 0.00 C ATOM 163 O ASP A 12 14.158 43.721 4.111 1.00 0.00 O ATOM 164 CB ASP A 12 15.407 45.646 1.711 1.00 0.00 C ATOM 165 CG ASP A 12 16.103 45.530 0.360 1.00 0.00 C ATOM 166 OD1 ASP A 12 16.102 44.443 -0.193 1.00 0.00 O ATOM 167 OD2 ASP A 12 16.624 46.531 -0.104 1.00 0.00 O1- ATOM 0 H ASP A 12 13.336 45.562 0.347 1.00 0.00 H new ATOM 0 HA ASP A 12 14.854 43.570 1.693 1.00 0.00 H new ATOM 0 HB2 ASP A 12 14.923 46.619 1.797 1.00 0.00 H new ATOM 0 HB3 ASP A 12 16.141 45.583 2.514 1.00 0.00 H new ATOM 172 N GLU A 13 12.899 45.491 3.536 1.00 0.00 N ATOM 173 CA GLU A 13 12.277 45.587 4.849 1.00 0.00 C ATOM 174 C GLU A 13 11.464 44.330 5.113 1.00 0.00 C ATOM 175 O GLU A 13 11.451 43.792 6.220 1.00 0.00 O ATOM 176 CB GLU A 13 11.353 46.803 4.894 1.00 0.00 C ATOM 177 CG GLU A 13 12.176 48.094 4.841 1.00 0.00 C ATOM 178 CD GLU A 13 11.242 49.298 4.785 1.00 0.00 C ATOM 179 OE1 GLU A 13 10.048 49.086 4.655 1.00 0.00 O ATOM 180 OE2 GLU A 13 11.733 50.412 4.869 1.00 0.00 O1- ATOM 0 H GLU A 13 12.586 46.190 2.862 1.00 0.00 H new ATOM 0 HA GLU A 13 13.052 45.692 5.609 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.657 46.772 4.055 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.755 46.781 5.805 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.820 48.162 5.718 1.00 0.00 H new ATOM 0 HG3 GLU A 13 12.827 48.086 3.967 1.00 0.00 H new ATOM 187 N TRP A 14 10.784 43.876 4.072 1.00 0.00 N ATOM 188 CA TRP A 14 9.965 42.688 4.168 1.00 0.00 C ATOM 189 C TRP A 14 10.850 41.496 4.506 1.00 0.00 C ATOM 190 O TRP A 14 10.530 40.708 5.393 1.00 0.00 O ATOM 191 CB TRP A 14 9.244 42.482 2.841 1.00 0.00 C ATOM 192 CG TRP A 14 8.003 41.671 3.039 1.00 0.00 C ATOM 193 CD1 TRP A 14 7.702 40.561 2.334 1.00 0.00 C ATOM 194 CD2 TRP A 14 6.892 41.883 3.968 1.00 0.00 C ATOM 195 NE1 TRP A 14 6.478 40.075 2.760 1.00 0.00 N ATOM 196 CE2 TRP A 14 5.941 40.852 3.765 1.00 0.00 C ATOM 197 CE3 TRP A 14 6.610 42.853 4.955 1.00 0.00 C ATOM 198 CZ2 TRP A 14 4.764 40.783 4.507 1.00 0.00 C ATOM 199 CZ3 TRP A 14 5.423 42.782 5.704 1.00 0.00 C ATOM 200 CH2 TRP A 14 4.502 41.750 5.481 1.00 0.00 C ATOM 0 H TRP A 14 10.786 44.316 3.152 1.00 0.00 H new ATOM 0 HA TRP A 14 9.221 42.795 4.957 1.00 0.00 H new ATOM 0 HB2 TRP A 14 8.988 43.448 2.406 1.00 0.00 H new ATOM 0 HB3 TRP A 14 9.905 41.979 2.135 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.317 40.122 1.562 1.00 0.00 H new ATOM 0 HE1 TRP A 14 6.028 39.243 2.377 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.311 43.654 5.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.057 39.986 4.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.219 43.529 6.457 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.592 41.702 6.060 1.00 0.00 H new ATOM 211 N ASN A 15 11.970 41.375 3.801 1.00 0.00 N ATOM 212 CA ASN A 15 12.905 40.282 4.044 1.00 0.00 C ATOM 213 C ASN A 15 13.327 40.250 5.513 1.00 0.00 C ATOM 214 O ASN A 15 13.422 39.181 6.116 1.00 0.00 O ATOM 215 CB ASN A 15 14.142 40.463 3.171 1.00 0.00 C ATOM 216 CG ASN A 15 13.765 40.365 1.696 1.00 0.00 C ATOM 217 OD1 ASN A 15 12.650 39.961 1.367 1.00 0.00 O ATOM 218 ND2 ASN A 15 14.632 40.709 0.783 1.00 0.00 N ATOM 0 H ASN A 15 12.252 42.017 3.060 1.00 0.00 H new ATOM 0 HA ASN A 15 12.410 39.343 3.798 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.600 41.431 3.373 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.883 39.702 3.416 1.00 0.00 H new ATOM 0 HD21 ASN A 15 14.386 40.643 -0.205 1.00 0.00 H new ATOM 0 HD22 ASN A 15 15.556 41.044 1.057 1.00 0.00 H new ATOM 225 N GLN A 16 13.561 41.429 6.089 1.00 0.00 N ATOM 226 CA GLN A 16 13.953 41.503 7.496 1.00 0.00 C ATOM 227 C GLN A 16 12.816 40.958 8.352 1.00 0.00 C ATOM 228 O GLN A 16 13.035 40.182 9.285 1.00 0.00 O ATOM 229 CB GLN A 16 14.253 42.953 7.907 1.00 0.00 C ATOM 230 CG GLN A 16 15.711 43.316 7.592 1.00 0.00 C ATOM 231 CD GLN A 16 15.830 43.838 6.163 1.00 0.00 C ATOM 232 OE1 GLN A 16 15.229 44.856 5.821 1.00 0.00 O ATOM 233 NE2 GLN A 16 16.577 43.199 5.307 1.00 0.00 N ATOM 0 H GLN A 16 13.488 42.329 5.615 1.00 0.00 H new ATOM 0 HA GLN A 16 14.857 40.912 7.643 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.582 43.632 7.380 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.063 43.081 8.973 1.00 0.00 H new ATOM 0 HG2 GLN A 16 16.064 44.072 8.293 1.00 0.00 H new ATOM 0 HG3 GLN A 16 16.347 42.440 7.721 1.00 0.00 H new ATOM 0 HE21 GLN A 16 17.074 42.356 5.594 1.00 0.00 H new ATOM 0 HE22 GLN A 16 16.665 43.542 4.351 1.00 0.00 H new ATOM 242 N LEU A 17 11.597 41.367 8.014 1.00 0.00 N ATOM 243 CA LEU A 17 10.418 40.911 8.739 1.00 0.00 C ATOM 244 C LEU A 17 10.323 39.398 8.676 1.00 0.00 C ATOM 245 O LEU A 17 9.969 38.745 9.658 1.00 0.00 O ATOM 246 CB LEU A 17 9.160 41.518 8.117 1.00 0.00 C ATOM 247 CG LEU A 17 7.919 40.970 8.827 1.00 0.00 C ATOM 248 CD1 LEU A 17 7.991 41.288 10.320 1.00 0.00 C ATOM 249 CD2 LEU A 17 6.668 41.619 8.234 1.00 0.00 C ATOM 0 H LEU A 17 11.401 42.010 7.247 1.00 0.00 H new ATOM 0 HA LEU A 17 10.502 41.227 9.779 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.189 42.604 8.201 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.117 41.281 7.054 1.00 0.00 H new ATOM 0 HG LEU A 17 7.876 39.889 8.690 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.105 40.895 10.819 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.882 40.828 10.747 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.038 42.368 10.460 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.783 41.230 8.738 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.719 42.699 8.371 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.609 41.391 7.170 1.00 0.00 H new ATOM 261 N LYS A 18 10.651 38.844 7.517 1.00 0.00 N ATOM 262 CA LYS A 18 10.606 37.403 7.342 1.00 0.00 C ATOM 263 C LYS A 18 11.532 36.721 8.340 1.00 0.00 C ATOM 264 O LYS A 18 11.157 35.735 8.966 1.00 0.00 O ATOM 265 CB LYS A 18 11.035 37.036 5.918 1.00 0.00 C ATOM 266 CG LYS A 18 10.012 37.565 4.911 1.00 0.00 C ATOM 267 CD LYS A 18 10.403 37.107 3.505 1.00 0.00 C ATOM 268 CE LYS A 18 9.502 37.784 2.468 1.00 0.00 C ATOM 269 NZ LYS A 18 8.943 36.752 1.547 1.00 0.00 N1+ ATOM 0 H LYS A 18 10.948 39.366 6.693 1.00 0.00 H new ATOM 0 HA LYS A 18 9.584 37.064 7.513 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.018 37.457 5.706 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.124 35.954 5.824 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.016 37.200 5.161 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.972 38.653 4.953 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.447 37.354 3.310 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.312 36.024 3.427 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.693 38.319 2.966 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.071 38.522 1.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.266 37.198 0.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.715 36.320 1.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.458 36.018 2.102 1.00 0.00 H new ATOM 283 N GLN A 19 12.747 37.243 8.483 1.00 0.00 N ATOM 284 CA GLN A 19 13.703 36.646 9.408 1.00 0.00 C ATOM 285 C GLN A 19 13.151 36.657 10.825 1.00 0.00 C ATOM 286 O GLN A 19 13.295 35.680 11.559 1.00 0.00 O ATOM 287 CB GLN A 19 15.032 37.407 9.378 1.00 0.00 C ATOM 288 CG GLN A 19 15.667 37.279 7.995 1.00 0.00 C ATOM 289 CD GLN A 19 15.921 35.812 7.675 1.00 0.00 C ATOM 290 OE1 GLN A 19 16.415 35.067 8.522 1.00 0.00 O ATOM 291 NE2 GLN A 19 15.608 35.349 6.497 1.00 0.00 N ATOM 0 H GLN A 19 13.088 38.063 7.980 1.00 0.00 H new ATOM 0 HA GLN A 19 13.873 35.616 9.095 1.00 0.00 H new ATOM 0 HB2 GLN A 19 14.866 38.457 9.617 1.00 0.00 H new ATOM 0 HB3 GLN A 19 15.707 37.010 10.137 1.00 0.00 H new ATOM 0 HG2 GLN A 19 15.011 37.716 7.242 1.00 0.00 H new ATOM 0 HG3 GLN A 19 16.604 37.835 7.963 1.00 0.00 H new ATOM 0 HE21 GLN A 19 15.199 35.969 5.798 1.00 0.00 H new ATOM 0 HE22 GLN A 19 15.772 34.367 6.275 1.00 0.00 H new ATOM 300 N ASP A 20 12.532 37.765 11.213 1.00 0.00 N ATOM 301 CA ASP A 20 11.986 37.875 12.555 1.00 0.00 C ATOM 302 C ASP A 20 10.925 36.810 12.796 1.00 0.00 C ATOM 303 O ASP A 20 10.902 36.178 13.851 1.00 0.00 O ATOM 304 CB ASP A 20 11.384 39.262 12.751 1.00 0.00 C ATOM 305 CG ASP A 20 12.491 40.309 12.694 1.00 0.00 C ATOM 306 OD1 ASP A 20 13.638 39.919 12.546 1.00 0.00 O1- ATOM 307 OD2 ASP A 20 12.178 41.484 12.790 1.00 0.00 O ATOM 0 H ASP A 20 12.398 38.588 10.625 1.00 0.00 H new ATOM 0 HA ASP A 20 12.793 37.723 13.272 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.641 39.460 11.978 1.00 0.00 H new ATOM 0 HB3 ASP A 20 10.868 39.314 13.710 1.00 0.00 H new ATOM 312 N PHE A 21 10.060 36.601 11.811 1.00 0.00 N ATOM 313 CA PHE A 21 9.020 35.594 11.942 1.00 0.00 C ATOM 314 C PHE A 21 9.654 34.211 11.993 1.00 0.00 C ATOM 315 O PHE A 21 9.283 33.378 12.819 1.00 0.00 O ATOM 316 CB PHE A 21 8.053 35.671 10.764 1.00 0.00 C ATOM 317 CG PHE A 21 7.187 36.911 10.859 1.00 0.00 C ATOM 318 CD1 PHE A 21 7.499 37.956 11.745 1.00 0.00 C ATOM 319 CD2 PHE A 21 6.064 37.012 10.034 1.00 0.00 C ATOM 320 CE1 PHE A 21 6.684 39.096 11.795 1.00 0.00 C ATOM 321 CE2 PHE A 21 5.250 38.149 10.087 1.00 0.00 C ATOM 322 CZ PHE A 21 5.561 39.192 10.966 1.00 0.00 C ATOM 0 H PHE A 21 10.058 37.108 10.926 1.00 0.00 H new ATOM 0 HA PHE A 21 8.466 35.778 12.863 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.612 35.683 9.829 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.422 34.782 10.747 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.365 37.881 12.386 1.00 0.00 H new ATOM 0 HD2 PHE A 21 5.823 36.209 9.353 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.923 39.901 12.474 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.381 38.221 9.449 1.00 0.00 H new ATOM 0 HZ PHE A 21 4.935 40.071 11.005 1.00 0.00 H new ATOM 332 N ILE A 22 10.629 33.975 11.116 1.00 0.00 N ATOM 333 CA ILE A 22 11.312 32.688 11.096 1.00 0.00 C ATOM 334 C ILE A 22 11.924 32.427 12.470 1.00 0.00 C ATOM 335 O ILE A 22 11.738 31.359 13.052 1.00 0.00 O ATOM 336 CB ILE A 22 12.405 32.678 10.007 1.00 0.00 C ATOM 337 CG1 ILE A 22 11.756 32.799 8.622 1.00 0.00 C ATOM 338 CG2 ILE A 22 13.193 31.366 10.063 1.00 0.00 C ATOM 339 CD1 ILE A 22 12.840 33.061 7.570 1.00 0.00 C ATOM 0 H ILE A 22 10.957 34.647 10.422 1.00 0.00 H new ATOM 0 HA ILE A 22 10.596 31.899 10.864 1.00 0.00 H new ATOM 0 HB ILE A 22 13.077 33.518 10.182 1.00 0.00 H new ATOM 0 HG12 ILE A 22 11.214 31.884 8.381 1.00 0.00 H new ATOM 0 HG13 ILE A 22 11.028 33.610 8.619 1.00 0.00 H new ATOM 0 HG21 ILE A 22 13.962 31.370 9.290 1.00 0.00 H new ATOM 0 HG22 ILE A 22 13.663 31.265 11.041 1.00 0.00 H new ATOM 0 HG23 ILE A 22 12.516 30.528 9.897 1.00 0.00 H new ATOM 0 HD11 ILE A 22 12.379 33.147 6.586 1.00 0.00 H new ATOM 0 HD12 ILE A 22 13.362 33.988 7.808 1.00 0.00 H new ATOM 0 HD13 ILE A 22 13.551 32.235 7.567 1.00 0.00 H new ATOM 351 N SER A 23 12.662 33.411 12.978 1.00 0.00 N ATOM 352 CA SER A 23 13.297 33.277 14.284 1.00 0.00 C ATOM 353 C SER A 23 12.255 32.997 15.364 1.00 0.00 C ATOM 354 O SER A 23 12.457 32.149 16.229 1.00 0.00 O ATOM 355 CB SER A 23 14.059 34.559 14.624 1.00 0.00 C ATOM 356 OG SER A 23 14.950 34.866 13.561 1.00 0.00 O ATOM 0 H SER A 23 12.833 34.301 12.510 1.00 0.00 H new ATOM 0 HA SER A 23 13.993 32.439 14.246 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.361 35.382 14.779 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.613 34.432 15.554 1.00 0.00 H new ATOM 0 HG SER A 23 14.456 35.305 12.837 1.00 0.00 H new ATOM 362 N GLY A 24 11.135 33.708 15.300 1.00 0.00 N ATOM 363 CA GLY A 24 10.069 33.516 16.272 1.00 0.00 C ATOM 364 C GLY A 24 9.509 32.099 16.196 1.00 0.00 C ATOM 365 O GLY A 24 9.119 31.522 17.208 1.00 0.00 O ATOM 0 H GLY A 24 10.944 34.416 14.591 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.448 33.708 17.276 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.272 34.236 16.090 1.00 0.00 H new ATOM 369 N ILE A 25 9.471 31.541 14.988 1.00 0.00 N ATOM 370 CA ILE A 25 8.951 30.190 14.803 1.00 0.00 C ATOM 371 C ILE A 25 9.930 29.146 15.343 1.00 0.00 C ATOM 372 O ILE A 25 9.523 28.195 16.009 1.00 0.00 O ATOM 373 CB ILE A 25 8.664 29.940 13.321 1.00 0.00 C ATOM 374 CG1 ILE A 25 7.616 30.948 12.838 1.00 0.00 C ATOM 375 CG2 ILE A 25 8.130 28.519 13.137 1.00 0.00 C ATOM 376 CD1 ILE A 25 6.214 30.412 13.136 1.00 0.00 C ATOM 0 H ILE A 25 9.790 31.997 14.133 1.00 0.00 H new ATOM 0 HA ILE A 25 8.021 30.098 15.365 1.00 0.00 H new ATOM 0 HB ILE A 25 9.581 30.057 12.743 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.763 31.907 13.335 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.730 31.122 11.768 1.00 0.00 H new ATOM 0 HG21 ILE A 25 7.926 28.341 12.081 1.00 0.00 H new ATOM 0 HG22 ILE A 25 8.873 27.803 13.489 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.211 28.399 13.710 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.469 31.130 12.792 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.070 29.463 12.619 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.103 30.260 14.210 1.00 0.00 H new ATOM 388 N LEU A 26 11.221 29.336 15.077 1.00 0.00 N ATOM 389 CA LEU A 26 12.234 28.403 15.573 1.00 0.00 C ATOM 390 C LEU A 26 12.465 28.643 17.060 1.00 0.00 C ATOM 391 O LEU A 26 12.827 27.733 17.808 1.00 0.00 O ATOM 392 CB LEU A 26 13.557 28.593 14.818 1.00 0.00 C ATOM 393 CG LEU A 26 14.419 29.642 15.537 1.00 0.00 C ATOM 394 CD1 LEU A 26 15.135 29.005 16.734 1.00 0.00 C ATOM 395 CD2 LEU A 26 15.465 30.205 14.568 1.00 0.00 C ATOM 0 H LEU A 26 11.588 30.115 14.530 1.00 0.00 H new ATOM 0 HA LEU A 26 11.878 27.385 15.412 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.093 27.646 14.760 1.00 0.00 H new ATOM 0 HB3 LEU A 26 13.360 28.910 13.794 1.00 0.00 H new ATOM 0 HG LEU A 26 13.772 30.446 15.888 1.00 0.00 H new ATOM 0 HD11 LEU A 26 15.743 29.757 17.237 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.396 28.610 17.432 1.00 0.00 H new ATOM 0 HD13 LEU A 26 15.775 28.194 16.386 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.074 30.949 15.082 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.103 29.396 14.212 1.00 0.00 H new ATOM 0 HD23 LEU A 26 14.962 30.671 13.720 1.00 0.00 H new ATOM 407 N GLU A 27 12.236 29.882 17.473 1.00 0.00 N ATOM 408 CA GLU A 27 12.404 30.264 18.868 1.00 0.00 C ATOM 409 C GLU A 27 11.266 29.719 19.728 1.00 0.00 C ATOM 410 O GLU A 27 11.424 29.531 20.934 1.00 0.00 O ATOM 411 CB GLU A 27 12.466 31.787 18.993 1.00 0.00 C ATOM 412 CG GLU A 27 12.591 32.158 20.468 1.00 0.00 C ATOM 413 CD GLU A 27 13.854 31.538 21.055 1.00 0.00 C ATOM 414 OE1 GLU A 27 14.900 31.677 20.442 1.00 0.00 O ATOM 415 OE2 GLU A 27 13.753 30.916 22.100 1.00 0.00 O1- ATOM 0 H GLU A 27 11.933 30.640 16.861 1.00 0.00 H new ATOM 0 HA GLU A 27 13.340 29.834 19.225 1.00 0.00 H new ATOM 0 HB2 GLU A 27 13.316 32.177 18.433 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.570 32.237 18.566 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.623 33.242 20.578 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.716 31.808 21.015 1.00 0.00 H new ATOM 422 N ASN A 28 10.115 29.481 19.103 1.00 0.00 N ATOM 423 CA ASN A 28 8.955 28.971 19.827 1.00 0.00 C ATOM 424 C ASN A 28 8.822 27.457 19.678 1.00 0.00 C ATOM 425 O ASN A 28 9.368 26.858 18.753 1.00 0.00 O ATOM 426 CB ASN A 28 7.682 29.640 19.310 1.00 0.00 C ATOM 427 CG ASN A 28 7.731 31.139 19.571 1.00 0.00 C ATOM 428 OD1 ASN A 28 8.682 31.640 20.169 1.00 0.00 O ATOM 429 ND2 ASN A 28 6.746 31.889 19.160 1.00 0.00 N ATOM 0 H ASN A 28 9.962 29.632 18.106 1.00 0.00 H new ATOM 0 HA ASN A 28 9.097 29.202 20.883 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.573 29.453 18.242 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.810 29.207 19.800 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.763 32.894 19.334 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.959 31.471 18.664 1.00 0.00 H new ATOM 436 N GLU A 29 8.073 26.849 20.593 1.00 0.00 N ATOM 437 CA GLU A 29 7.845 25.408 20.565 1.00 0.00 C ATOM 438 C GLU A 29 7.160 25.004 19.262 1.00 0.00 C ATOM 439 O GLU A 29 7.352 23.896 18.762 1.00 0.00 O ATOM 440 CB GLU A 29 6.961 25.012 21.749 1.00 0.00 C ATOM 441 CG GLU A 29 6.809 23.489 21.810 1.00 0.00 C ATOM 442 CD GLU A 29 5.749 23.125 22.845 1.00 0.00 C ATOM 443 OE1 GLU A 29 4.842 23.918 23.037 1.00 0.00 O ATOM 444 OE2 GLU A 29 5.864 22.063 23.433 1.00 0.00 O1- ATOM 0 H GLU A 29 7.613 27.333 21.364 1.00 0.00 H new ATOM 0 HA GLU A 29 8.805 24.896 20.632 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.399 25.378 22.678 1.00 0.00 H new ATOM 0 HB3 GLU A 29 5.981 25.479 21.653 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.525 23.102 20.831 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.761 23.028 22.071 1.00 0.00 H new ATOM 451 N GLN A 30 6.356 25.912 18.723 1.00 0.00 N ATOM 452 CA GLN A 30 5.634 25.650 17.485 1.00 0.00 C ATOM 453 C GLN A 30 6.590 25.245 16.360 1.00 0.00 C ATOM 454 O GLN A 30 6.148 24.826 15.288 1.00 0.00 O ATOM 455 CB GLN A 30 4.845 26.897 17.077 1.00 0.00 C ATOM 456 CG GLN A 30 3.748 27.175 18.112 1.00 0.00 C ATOM 457 CD GLN A 30 2.942 28.400 17.694 1.00 0.00 C ATOM 458 OE1 GLN A 30 2.007 28.797 18.390 1.00 0.00 O ATOM 459 NE2 GLN A 30 3.252 29.025 16.592 1.00 0.00 N ATOM 0 H GLN A 30 6.188 26.835 19.123 1.00 0.00 H new ATOM 0 HA GLN A 30 4.947 24.821 17.657 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.514 27.754 17.002 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.401 26.752 16.092 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.092 26.309 18.201 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.194 27.339 19.093 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.027 28.693 16.018 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.719 29.846 16.304 1.00 0.00 H new ATOM 468 N LYS A 31 7.898 25.370 16.604 1.00 0.00 N ATOM 469 CA LYS A 31 8.883 25.003 15.588 1.00 0.00 C ATOM 470 C LYS A 31 8.653 23.560 15.150 1.00 0.00 C ATOM 471 O LYS A 31 8.750 23.226 13.972 1.00 0.00 O ATOM 472 CB LYS A 31 10.306 25.140 16.137 1.00 0.00 C ATOM 473 CG LYS A 31 10.622 23.960 17.062 1.00 0.00 C ATOM 474 CD LYS A 31 12.005 24.159 17.694 1.00 0.00 C ATOM 475 CE LYS A 31 12.450 22.867 18.385 1.00 0.00 C ATOM 476 NZ LYS A 31 12.190 22.971 19.848 1.00 0.00 N1+ ATOM 0 H LYS A 31 8.292 25.716 17.479 1.00 0.00 H new ATOM 0 HA LYS A 31 8.767 25.675 14.738 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.021 25.171 15.315 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.406 26.078 16.682 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.863 23.881 17.840 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.599 23.027 16.499 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.728 24.440 16.928 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.971 24.975 18.416 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.912 22.015 17.969 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.511 22.692 18.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.492 22.094 20.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.723 23.774 20.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.173 23.118 20.010 1.00 0.00 H new ATOM 490 N ASP A 32 8.338 22.710 16.115 1.00 0.00 N ATOM 491 CA ASP A 32 8.084 21.305 15.826 1.00 0.00 C ATOM 492 C ASP A 32 6.942 21.171 14.825 1.00 0.00 C ATOM 493 O ASP A 32 7.013 20.385 13.880 1.00 0.00 O ATOM 494 CB ASP A 32 7.701 20.586 17.119 1.00 0.00 C ATOM 495 CG ASP A 32 8.878 20.572 18.088 1.00 0.00 C ATOM 496 OD1 ASP A 32 10.001 20.685 17.628 1.00 0.00 O ATOM 497 OD2 ASP A 32 8.638 20.451 19.278 1.00 0.00 O1- ATOM 0 H ASP A 32 8.252 22.965 17.099 1.00 0.00 H new ATOM 0 HA ASP A 32 8.985 20.862 15.403 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.848 21.084 17.580 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.392 19.564 16.897 1.00 0.00 H new ATOM 502 N LEU A 33 5.883 21.941 15.049 1.00 0.00 N ATOM 503 CA LEU A 33 4.714 21.900 14.177 1.00 0.00 C ATOM 504 C LEU A 33 5.085 22.192 12.722 1.00 0.00 C ATOM 505 O LEU A 33 4.683 21.460 11.813 1.00 0.00 O ATOM 506 CB LEU A 33 3.678 22.918 14.662 1.00 0.00 C ATOM 507 CG LEU A 33 3.155 22.502 16.040 1.00 0.00 C ATOM 508 CD1 LEU A 33 2.345 23.649 16.648 1.00 0.00 C ATOM 509 CD2 LEU A 33 2.255 21.271 15.892 1.00 0.00 C ATOM 0 H LEU A 33 5.809 22.599 15.825 1.00 0.00 H new ATOM 0 HA LEU A 33 4.296 20.894 14.219 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.126 23.910 14.716 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.853 22.979 13.952 1.00 0.00 H new ATOM 0 HG LEU A 33 3.997 22.266 16.691 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.973 23.352 17.629 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.981 24.528 16.752 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.503 23.885 15.997 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.882 20.973 16.872 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.414 21.511 15.241 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.828 20.452 15.458 1.00 0.00 H new ATOM 521 N VAL A 34 5.858 23.252 12.493 1.00 0.00 N ATOM 522 CA VAL A 34 6.254 23.583 11.126 1.00 0.00 C ATOM 523 C VAL A 34 7.147 22.494 10.566 1.00 0.00 C ATOM 524 O VAL A 34 7.112 22.200 9.371 1.00 0.00 O ATOM 525 CB VAL A 34 7.004 24.911 11.056 1.00 0.00 C ATOM 526 CG1 VAL A 34 8.116 24.924 12.096 1.00 0.00 C ATOM 527 CG2 VAL A 34 7.623 25.045 9.662 1.00 0.00 C ATOM 0 H VAL A 34 6.214 23.880 13.213 1.00 0.00 H new ATOM 0 HA VAL A 34 5.340 23.668 10.538 1.00 0.00 H new ATOM 0 HB VAL A 34 6.318 25.736 11.250 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.651 25.872 12.045 1.00 0.00 H new ATOM 0 HG12 VAL A 34 7.686 24.803 13.090 1.00 0.00 H new ATOM 0 HG13 VAL A 34 8.809 24.106 11.898 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.164 25.989 9.593 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.312 24.219 9.489 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.834 25.023 8.910 1.00 0.00 H new ATOM 537 N ALA A 35 7.955 21.904 11.436 1.00 0.00 N ATOM 538 CA ALA A 35 8.860 20.851 11.013 1.00 0.00 C ATOM 539 C ALA A 35 8.079 19.699 10.390 1.00 0.00 C ATOM 540 O ALA A 35 8.510 19.115 9.397 1.00 0.00 O ATOM 541 CB ALA A 35 9.674 20.346 12.205 1.00 0.00 C ATOM 0 H ALA A 35 8.001 22.135 12.428 1.00 0.00 H new ATOM 0 HA ALA A 35 9.541 21.258 10.265 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.349 19.556 11.876 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.254 21.168 12.624 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.000 19.953 12.966 1.00 0.00 H new ATOM 689 N ASN A 45 11.447 26.584 8.571 1.00 0.00 N ATOM 690 CA ASN A 45 10.208 27.280 8.892 1.00 0.00 C ATOM 691 C ASN A 45 9.332 27.413 7.650 1.00 0.00 C ATOM 692 O ASN A 45 8.486 28.298 7.588 1.00 0.00 O ATOM 693 CB ASN A 45 10.521 28.682 9.414 1.00 0.00 C ATOM 694 CG ASN A 45 11.405 28.610 10.652 1.00 0.00 C ATOM 695 OD1 ASN A 45 11.670 29.633 11.284 1.00 0.00 O ATOM 696 ND2 ASN A 45 11.883 27.462 11.037 1.00 0.00 N ATOM 0 HA ASN A 45 9.681 26.703 9.651 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.020 29.262 8.638 1.00 0.00 H new ATOM 0 HB3 ASN A 45 9.593 29.202 9.653 1.00 0.00 H new ATOM 0 HD21 ASN A 45 12.478 27.409 11.864 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.662 26.616 10.512 1.00 0.00 H new ATOM 703 N GLN A 46 9.551 26.533 6.668 1.00 0.00 N ATOM 704 CA GLN A 46 8.783 26.552 5.416 1.00 0.00 C ATOM 705 C GLN A 46 8.993 27.865 4.655 1.00 0.00 C ATOM 706 O GLN A 46 8.061 28.432 4.103 1.00 0.00 O ATOM 707 CB GLN A 46 7.290 26.288 5.702 1.00 0.00 C ATOM 708 CG GLN A 46 6.468 27.586 5.753 1.00 0.00 C ATOM 709 CD GLN A 46 5.302 27.407 6.718 1.00 0.00 C ATOM 710 OE1 GLN A 46 4.942 28.336 7.442 1.00 0.00 O ATOM 711 NE2 GLN A 46 4.687 26.257 6.774 1.00 0.00 N ATOM 0 H GLN A 46 10.255 25.797 6.715 1.00 0.00 H new ATOM 0 HA GLN A 46 9.149 25.752 4.773 1.00 0.00 H new ATOM 0 HB2 GLN A 46 6.885 25.634 4.930 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.192 25.761 6.651 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.097 28.416 6.075 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.097 27.834 4.759 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.987 25.489 6.174 1.00 0.00 H new ATOM 0 HE22 GLN A 46 3.907 26.127 7.418 1.00 0.00 H new ATOM 720 N LEU A 47 10.247 28.321 4.631 1.00 0.00 N ATOM 721 CA LEU A 47 10.614 29.569 3.949 1.00 0.00 C ATOM 722 C LEU A 47 9.853 29.776 2.635 1.00 0.00 C ATOM 723 O LEU A 47 9.189 30.797 2.462 1.00 0.00 O ATOM 724 CB LEU A 47 12.116 29.577 3.652 1.00 0.00 C ATOM 725 CG LEU A 47 12.875 30.263 4.794 1.00 0.00 C ATOM 726 CD1 LEU A 47 14.319 29.759 4.815 1.00 0.00 C ATOM 727 CD2 LEU A 47 12.874 31.785 4.594 1.00 0.00 C ATOM 0 H LEU A 47 11.030 27.844 5.077 1.00 0.00 H new ATOM 0 HA LEU A 47 10.345 30.383 4.622 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.476 28.556 3.528 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.306 30.098 2.714 1.00 0.00 H new ATOM 0 HG LEU A 47 12.384 30.028 5.738 1.00 0.00 H new ATOM 0 HD11 LEU A 47 14.862 30.245 5.626 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.326 28.680 4.969 1.00 0.00 H new ATOM 0 HD13 LEU A 47 14.800 29.993 3.865 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.416 32.260 5.412 1.00 0.00 H new ATOM 0 HD22 LEU A 47 13.358 32.028 3.648 1.00 0.00 H new ATOM 0 HD23 LEU A 47 11.847 32.149 4.580 1.00 0.00 H new ATOM 739 N ASP A 48 9.980 28.838 1.698 1.00 0.00 N ATOM 740 CA ASP A 48 9.319 28.992 0.400 1.00 0.00 C ATOM 741 C ASP A 48 7.812 29.183 0.566 1.00 0.00 C ATOM 742 O ASP A 48 7.236 30.143 0.045 1.00 0.00 O ATOM 743 CB ASP A 48 9.587 27.766 -0.477 1.00 0.00 C ATOM 744 CG ASP A 48 9.153 28.048 -1.912 1.00 0.00 C ATOM 745 OD1 ASP A 48 8.814 29.186 -2.195 1.00 0.00 O ATOM 746 OD2 ASP A 48 9.169 27.125 -2.707 1.00 0.00 O1- ATOM 0 H ASP A 48 10.522 27.981 1.807 1.00 0.00 H new ATOM 0 HA ASP A 48 9.729 29.881 -0.080 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.647 27.515 -0.451 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.046 26.904 -0.087 1.00 0.00 H new ATOM 751 N LEU A 49 7.176 28.296 1.321 1.00 0.00 N ATOM 752 CA LEU A 49 5.747 28.424 1.557 1.00 0.00 C ATOM 753 C LEU A 49 5.492 29.639 2.432 1.00 0.00 C ATOM 754 O LEU A 49 4.471 30.314 2.302 1.00 0.00 O ATOM 755 CB LEU A 49 5.197 27.158 2.211 1.00 0.00 C ATOM 756 CG LEU A 49 4.984 26.101 1.136 1.00 0.00 C ATOM 757 CD1 LEU A 49 6.342 25.637 0.606 1.00 0.00 C ATOM 758 CD2 LEU A 49 4.230 24.913 1.733 1.00 0.00 C ATOM 0 H LEU A 49 7.618 27.495 1.772 1.00 0.00 H new ATOM 0 HA LEU A 49 5.233 28.556 0.605 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.891 26.792 2.967 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.257 27.374 2.719 1.00 0.00 H new ATOM 0 HG LEU A 49 4.401 26.523 0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.193 24.880 -0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.876 26.487 0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.926 25.213 1.423 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.077 24.156 0.964 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.811 24.487 2.551 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.264 25.248 2.110 1.00 0.00 H new ATOM 770 N LEU A 50 6.433 29.904 3.330 1.00 0.00 N ATOM 771 CA LEU A 50 6.302 31.040 4.229 1.00 0.00 C ATOM 772 C LEU A 50 6.160 32.304 3.400 1.00 0.00 C ATOM 773 O LEU A 50 5.294 33.134 3.668 1.00 0.00 O ATOM 774 CB LEU A 50 7.544 31.166 5.116 1.00 0.00 C ATOM 775 CG LEU A 50 7.173 31.774 6.467 1.00 0.00 C ATOM 776 CD1 LEU A 50 8.453 32.074 7.251 1.00 0.00 C ATOM 777 CD2 LEU A 50 6.391 33.069 6.253 1.00 0.00 C ATOM 0 H LEU A 50 7.284 29.355 3.453 1.00 0.00 H new ATOM 0 HA LEU A 50 5.427 30.895 4.863 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.995 30.185 5.263 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.290 31.789 4.622 1.00 0.00 H new ATOM 0 HG LEU A 50 6.555 31.071 7.025 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.195 32.508 8.217 1.00 0.00 H new ATOM 0 HD12 LEU A 50 9.010 31.150 7.406 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.067 32.778 6.689 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.128 33.499 7.219 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.005 33.777 5.695 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.481 32.856 5.691 1.00 0.00 H new ATOM 789 N HIS A 51 7.018 32.446 2.386 1.00 0.00 N ATOM 790 CA HIS A 51 6.972 33.614 1.519 1.00 0.00 C ATOM 791 C HIS A 51 5.617 33.721 0.850 1.00 0.00 C ATOM 792 O HIS A 51 5.025 34.797 0.796 1.00 0.00 O ATOM 793 CB HIS A 51 8.066 33.514 0.456 1.00 0.00 C ATOM 794 CG HIS A 51 9.396 33.777 1.100 1.00 0.00 C ATOM 795 ND1 HIS A 51 10.445 34.381 0.427 1.00 0.00 N ATOM 796 CD2 HIS A 51 9.856 33.522 2.364 1.00 0.00 C ATOM 797 CE1 HIS A 51 11.477 34.467 1.285 1.00 0.00 C ATOM 798 NE2 HIS A 51 11.171 33.957 2.481 1.00 0.00 N ATOM 0 H HIS A 51 7.745 31.770 2.151 1.00 0.00 H new ATOM 0 HA HIS A 51 7.137 34.506 2.124 1.00 0.00 H new ATOM 0 HB2 HIS A 51 8.058 32.525 -0.001 1.00 0.00 H new ATOM 0 HB3 HIS A 51 7.884 34.235 -0.341 1.00 0.00 H new ATOM 0 HD2 HIS A 51 9.284 33.054 3.151 1.00 0.00 H new ATOM 0 HE1 HIS A 51 12.437 34.896 1.037 1.00 0.00 H new ATOM 0 HE2 HIS A 51 11.772 33.899 3.303 1.00 0.00 H new ATOM 807 N LYS A 52 5.125 32.597 0.346 1.00 0.00 N ATOM 808 CA LYS A 52 3.827 32.592 -0.312 1.00 0.00 C ATOM 809 C LYS A 52 2.740 33.000 0.679 1.00 0.00 C ATOM 810 O LYS A 52 1.966 33.923 0.430 1.00 0.00 O ATOM 811 CB LYS A 52 3.533 31.194 -0.859 1.00 0.00 C ATOM 812 CG LYS A 52 4.572 30.848 -1.924 1.00 0.00 C ATOM 813 CD LYS A 52 4.251 29.485 -2.538 1.00 0.00 C ATOM 814 CE LYS A 52 5.402 29.069 -3.452 1.00 0.00 C ATOM 815 NZ LYS A 52 5.370 29.891 -4.694 1.00 0.00 N1+ ATOM 0 H LYS A 52 5.595 31.693 0.379 1.00 0.00 H new ATOM 0 HA LYS A 52 3.841 33.305 -1.136 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.561 30.461 -0.053 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.531 31.160 -1.286 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.580 31.614 -2.700 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.568 30.832 -1.482 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.106 28.743 -1.753 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.321 29.536 -3.103 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.355 29.202 -2.939 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.319 28.011 -3.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.077 29.531 -5.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.424 29.836 -5.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.587 30.881 -4.461 1.00 0.00 H new ATOM 829 N TRP A 53 2.707 32.306 1.808 1.00 0.00 N ATOM 830 CA TRP A 53 1.730 32.580 2.859 1.00 0.00 C ATOM 831 C TRP A 53 1.875 34.009 3.383 1.00 0.00 C ATOM 832 O TRP A 53 0.902 34.760 3.460 1.00 0.00 O ATOM 833 CB TRP A 53 1.962 31.578 3.996 1.00 0.00 C ATOM 834 CG TRP A 53 0.847 31.612 4.996 1.00 0.00 C ATOM 835 CD1 TRP A 53 -0.217 30.778 4.993 1.00 0.00 C ATOM 836 CD2 TRP A 53 0.680 32.480 6.159 1.00 0.00 C ATOM 837 NE1 TRP A 53 -1.029 31.081 6.072 1.00 0.00 N ATOM 838 CE2 TRP A 53 -0.519 32.120 6.820 1.00 0.00 C ATOM 839 CE3 TRP A 53 1.441 33.534 6.698 1.00 0.00 C ATOM 840 CZ2 TRP A 53 -0.948 32.777 7.973 1.00 0.00 C ATOM 841 CZ3 TRP A 53 1.009 34.197 7.864 1.00 0.00 C ATOM 842 CH2 TRP A 53 -0.182 33.817 8.499 1.00 0.00 C ATOM 0 H TRP A 53 3.349 31.543 2.023 1.00 0.00 H new ATOM 0 HA TRP A 53 0.722 32.477 2.457 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.051 30.573 3.584 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.905 31.803 4.494 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.403 30.001 4.266 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -1.899 30.594 6.287 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.359 33.836 6.216 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.868 32.482 8.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.600 35.004 8.272 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.505 34.329 9.393 1.00 0.00 H new ATOM 853 N LEU A 54 3.099 34.373 3.753 1.00 0.00 N ATOM 854 CA LEU A 54 3.354 35.709 4.283 1.00 0.00 C ATOM 855 C LEU A 54 2.916 36.778 3.287 1.00 0.00 C ATOM 856 O LEU A 54 2.169 37.691 3.637 1.00 0.00 O ATOM 857 CB LEU A 54 4.846 35.880 4.590 1.00 0.00 C ATOM 858 CG LEU A 54 5.082 37.202 5.324 1.00 0.00 C ATOM 859 CD1 LEU A 54 4.648 37.069 6.787 1.00 0.00 C ATOM 860 CD2 LEU A 54 6.570 37.551 5.276 1.00 0.00 C ATOM 0 H LEU A 54 3.920 33.771 3.697 1.00 0.00 H new ATOM 0 HA LEU A 54 2.778 35.825 5.201 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.198 35.048 5.200 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.421 35.861 3.664 1.00 0.00 H new ATOM 0 HG LEU A 54 4.500 37.987 4.841 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.818 38.013 7.304 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.588 36.817 6.831 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.228 36.282 7.268 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.740 38.492 5.798 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.145 36.760 5.757 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.887 37.650 4.238 1.00 0.00 H new ATOM 872 N ASP A 55 3.394 36.673 2.050 1.00 0.00 N ATOM 873 CA ASP A 55 3.048 37.651 1.023 1.00 0.00 C ATOM 874 C ASP A 55 1.533 37.777 0.859 1.00 0.00 C ATOM 875 O ASP A 55 1.010 38.881 0.705 1.00 0.00 O ATOM 876 CB ASP A 55 3.672 37.241 -0.314 1.00 0.00 C ATOM 877 CG ASP A 55 5.194 37.321 -0.236 1.00 0.00 C ATOM 878 OD1 ASP A 55 5.693 37.926 0.702 1.00 0.00 O1- ATOM 879 OD2 ASP A 55 5.839 36.777 -1.116 1.00 0.00 O ATOM 0 H ASP A 55 4.016 35.928 1.736 1.00 0.00 H new ATOM 0 HA ASP A 55 3.440 38.619 1.336 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.367 36.226 -0.569 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.307 37.892 -1.108 1.00 0.00 H new ATOM 884 N ARG A 56 0.833 36.642 0.884 1.00 0.00 N ATOM 885 CA ARG A 56 -0.624 36.634 0.729 1.00 0.00 C ATOM 886 C ARG A 56 -1.308 37.420 1.851 1.00 0.00 C ATOM 887 O ARG A 56 -2.349 38.037 1.631 1.00 0.00 O ATOM 888 CB ARG A 56 -1.132 35.184 0.709 1.00 0.00 C ATOM 889 CG ARG A 56 -2.640 35.146 0.429 1.00 0.00 C ATOM 890 CD ARG A 56 -2.895 35.009 -1.079 1.00 0.00 C ATOM 891 NE ARG A 56 -2.392 33.728 -1.576 1.00 0.00 N ATOM 892 CZ ARG A 56 -3.207 32.696 -1.803 1.00 0.00 C ATOM 893 NH1 ARG A 56 -4.482 32.791 -1.537 1.00 0.00 N ATOM 894 NH2 ARG A 56 -2.726 31.582 -2.288 1.00 0.00 N1+ ATOM 0 H ARG A 56 1.249 35.719 1.010 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.872 37.120 -0.215 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.600 34.617 -0.055 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.922 34.706 1.666 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.095 34.310 0.960 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.110 36.055 0.804 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.963 35.088 -1.281 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.409 35.827 -1.611 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.393 33.621 -1.753 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.860 33.657 -1.154 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.100 31.999 -1.713 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.730 31.503 -2.492 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.347 30.792 -2.462 1.00 0.00 H new ATOM 908 N HIS A 57 -0.723 37.399 3.050 1.00 0.00 N ATOM 909 CA HIS A 57 -1.312 38.128 4.175 1.00 0.00 C ATOM 910 C HIS A 57 -0.422 39.294 4.619 1.00 0.00 C ATOM 911 O HIS A 57 -0.569 39.791 5.731 1.00 0.00 O ATOM 912 CB HIS A 57 -1.550 37.191 5.365 1.00 0.00 C ATOM 913 CG HIS A 57 -2.514 36.101 4.976 1.00 0.00 C ATOM 914 ND1 HIS A 57 -3.887 36.299 4.948 1.00 0.00 N ATOM 915 CD2 HIS A 57 -2.319 34.792 4.609 1.00 0.00 C ATOM 916 CE1 HIS A 57 -4.457 35.135 4.575 1.00 0.00 C ATOM 917 NE2 HIS A 57 -3.545 34.186 4.357 1.00 0.00 N ATOM 0 H HIS A 57 0.139 36.897 3.265 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.266 38.529 3.832 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.606 36.754 5.689 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.947 37.755 6.209 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.358 34.306 4.528 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -5.522 34.989 4.466 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -3.711 33.222 4.067 1.00 0.00 H new ATOM 926 N ARG A 58 0.483 39.737 3.749 1.00 0.00 N ATOM 927 CA ARG A 58 1.363 40.861 4.077 1.00 0.00 C ATOM 928 C ARG A 58 0.544 42.060 4.538 1.00 0.00 C ATOM 929 O ARG A 58 0.962 42.826 5.405 1.00 0.00 O ATOM 930 CB ARG A 58 2.178 41.257 2.853 1.00 0.00 C ATOM 931 CG ARG A 58 1.222 41.722 1.755 1.00 0.00 C ATOM 932 CD ARG A 58 1.987 41.866 0.446 1.00 0.00 C ATOM 933 NE ARG A 58 3.238 42.584 0.669 1.00 0.00 N ATOM 934 CZ ARG A 58 4.410 42.070 0.306 1.00 0.00 C ATOM 935 NH1 ARG A 58 4.476 40.890 -0.247 1.00 0.00 N ATOM 936 NH2 ARG A 58 5.502 42.750 0.508 1.00 0.00 N1+ ATOM 0 H ARG A 58 0.627 39.341 2.820 1.00 0.00 H new ATOM 0 HA ARG A 58 2.031 40.551 4.880 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.878 42.053 3.107 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.771 40.411 2.504 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.410 41.005 1.637 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.769 42.674 2.031 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.194 40.881 0.027 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.378 42.400 -0.283 1.00 0.00 H new ATOM 0 HE ARG A 58 3.213 43.502 1.114 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.624 40.352 -0.405 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.380 40.505 -0.522 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.456 43.672 0.943 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.404 42.361 0.232 1.00 0.00 H new ATOM 950 N ASP A 59 -0.630 42.201 3.943 1.00 0.00 N ATOM 951 CA ASP A 59 -1.536 43.294 4.277 1.00 0.00 C ATOM 952 C ASP A 59 -1.840 43.290 5.770 1.00 0.00 C ATOM 953 O ASP A 59 -2.024 44.339 6.389 1.00 0.00 O ATOM 954 CB ASP A 59 -2.839 43.125 3.498 1.00 0.00 C ATOM 955 CG ASP A 59 -2.586 43.308 2.006 1.00 0.00 C ATOM 956 OD1 ASP A 59 -1.571 43.889 1.666 1.00 0.00 O1- ATOM 957 OD2 ASP A 59 -3.414 42.867 1.227 1.00 0.00 O ATOM 0 H ASP A 59 -0.981 41.570 3.223 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.063 44.240 4.013 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.258 42.136 3.685 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.574 43.853 3.842 1.00 0.00 H new ATOM 962 N MET A 60 -1.904 42.090 6.328 1.00 0.00 N ATOM 963 CA MET A 60 -2.208 41.918 7.743 1.00 0.00 C ATOM 964 C MET A 60 -1.237 42.707 8.622 1.00 0.00 C ATOM 965 O MET A 60 -1.586 43.101 9.728 1.00 0.00 O ATOM 966 CB MET A 60 -2.104 40.439 8.110 1.00 0.00 C ATOM 967 CG MET A 60 -0.637 40.102 8.379 1.00 0.00 C ATOM 968 SD MET A 60 -0.383 38.316 8.276 1.00 0.00 S ATOM 969 CE MET A 60 1.424 38.366 8.361 1.00 0.00 C ATOM 0 H MET A 60 -1.749 41.218 5.822 1.00 0.00 H new ATOM 0 HA MET A 60 -3.218 42.289 7.916 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.708 40.225 8.991 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.491 39.821 7.300 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.000 40.610 7.655 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.348 40.462 9.366 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.819 37.351 8.314 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.812 38.945 7.523 1.00 0.00 H new ATOM 0 HE3 MET A 60 1.731 38.832 9.297 1.00 0.00 H new ATOM 979 N CYS A 61 -0.019 42.918 8.136 1.00 0.00 N ATOM 980 CA CYS A 61 0.992 43.637 8.914 1.00 0.00 C ATOM 981 C CYS A 61 0.560 45.066 9.218 1.00 0.00 C ATOM 982 O CYS A 61 0.962 45.642 10.227 1.00 0.00 O ATOM 983 CB CYS A 61 2.320 43.665 8.155 1.00 0.00 C ATOM 984 SG CYS A 61 2.176 44.767 6.725 1.00 0.00 S ATOM 0 H CYS A 61 0.294 42.606 7.217 1.00 0.00 H new ATOM 0 HA CYS A 61 1.113 43.106 9.858 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.119 44.007 8.812 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.585 42.660 7.828 1.00 0.00 H new ATOM 0 HG CYS A 61 1.597 44.136 5.747 1.00 0.00 H new ATOM 990 N GLU A 62 -0.246 45.636 8.340 1.00 0.00 N ATOM 991 CA GLU A 62 -0.708 47.004 8.523 1.00 0.00 C ATOM 992 C GLU A 62 -1.754 47.087 9.637 1.00 0.00 C ATOM 993 O GLU A 62 -2.107 48.177 10.086 1.00 0.00 O ATOM 994 CB GLU A 62 -1.309 47.522 7.213 1.00 0.00 C ATOM 995 CG GLU A 62 -0.282 47.377 6.085 1.00 0.00 C ATOM 996 CD GLU A 62 -0.784 48.080 4.827 1.00 0.00 C ATOM 997 OE1 GLU A 62 -1.968 48.358 4.762 1.00 0.00 O1- ATOM 998 OE2 GLU A 62 0.026 48.327 3.948 1.00 0.00 O ATOM 0 H GLU A 62 -0.594 45.178 7.498 1.00 0.00 H new ATOM 0 HA GLU A 62 0.145 47.620 8.808 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.213 46.964 6.970 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.599 48.567 7.322 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.672 47.804 6.394 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.106 46.322 5.876 1.00 0.00 H new ATOM 1005 N LYS A 63 -2.259 45.933 10.068 1.00 0.00 N ATOM 1006 CA LYS A 63 -3.281 45.883 11.113 1.00 0.00 C ATOM 1007 C LYS A 63 -2.675 45.870 12.518 1.00 0.00 C ATOM 1008 O LYS A 63 -3.363 45.567 13.492 1.00 0.00 O ATOM 1009 CB LYS A 63 -4.134 44.633 10.919 1.00 0.00 C ATOM 1010 CG LYS A 63 -4.872 44.736 9.586 1.00 0.00 C ATOM 1011 CD LYS A 63 -5.668 43.456 9.341 1.00 0.00 C ATOM 1012 CE LYS A 63 -6.790 43.352 10.374 1.00 0.00 C ATOM 1013 NZ LYS A 63 -7.883 42.503 9.829 1.00 0.00 N1+ ATOM 0 H LYS A 63 -1.978 45.020 9.710 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.889 46.784 11.026 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.506 43.743 10.933 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.847 44.533 11.737 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.541 45.596 9.595 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.160 44.894 8.776 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.085 43.461 8.334 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.013 42.588 9.411 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.408 42.923 11.300 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.171 44.344 10.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.648 42.430 10.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.252 42.931 8.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.514 41.554 9.620 1.00 0.00 H new ATOM 1027 N TRP A 64 -1.407 46.233 12.624 1.00 0.00 N ATOM 1028 CA TRP A 64 -0.748 46.296 13.925 1.00 0.00 C ATOM 1029 C TRP A 64 0.642 46.892 13.777 1.00 0.00 C ATOM 1030 O TRP A 64 1.126 47.599 14.660 1.00 0.00 O ATOM 1031 CB TRP A 64 -0.663 44.910 14.574 1.00 0.00 C ATOM 1032 CG TRP A 64 -0.991 43.858 13.572 1.00 0.00 C ATOM 1033 CD1 TRP A 64 -0.347 43.682 12.401 1.00 0.00 C ATOM 1034 CD2 TRP A 64 -2.021 42.830 13.633 1.00 0.00 C ATOM 1035 NE1 TRP A 64 -0.911 42.612 11.737 1.00 0.00 N ATOM 1036 CE2 TRP A 64 -1.950 42.055 12.453 1.00 0.00 C ATOM 1037 CE3 TRP A 64 -3.002 42.501 14.586 1.00 0.00 C ATOM 1038 CZ2 TRP A 64 -2.820 40.988 12.226 1.00 0.00 C ATOM 1039 CZ3 TRP A 64 -3.879 41.426 14.362 1.00 0.00 C ATOM 1040 CH2 TRP A 64 -3.787 40.673 13.182 1.00 0.00 C ATOM 0 H TRP A 64 -0.815 46.487 11.834 1.00 0.00 H new ATOM 0 HA TRP A 64 -1.345 46.935 14.576 1.00 0.00 H new ATOM 0 HB2 TRP A 64 0.339 44.746 14.971 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.353 44.850 15.416 1.00 0.00 H new ATOM 0 HD1 TRP A 64 0.476 44.281 12.041 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -0.598 42.274 10.827 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -3.082 43.078 15.495 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.746 40.410 11.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.627 41.179 15.101 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.465 39.849 13.013 1.00 0.00 H new ATOM 1051 N LYS A 65 1.278 46.603 12.649 1.00 0.00 N ATOM 1052 CA LYS A 65 2.613 47.117 12.388 1.00 0.00 C ATOM 1053 C LYS A 65 3.540 46.808 13.563 1.00 0.00 C ATOM 1054 O LYS A 65 4.714 47.176 13.555 1.00 0.00 O ATOM 1055 CB LYS A 65 2.529 48.624 12.139 1.00 0.00 C ATOM 1056 CG LYS A 65 1.717 48.867 10.861 1.00 0.00 C ATOM 1057 CD LYS A 65 1.614 50.369 10.583 1.00 0.00 C ATOM 1058 CE LYS A 65 0.657 50.608 9.410 1.00 0.00 C ATOM 1059 NZ LYS A 65 1.438 50.820 8.158 1.00 0.00 N1+ ATOM 0 H LYS A 65 0.893 46.020 11.906 1.00 0.00 H new ATOM 0 HA LYS A 65 3.026 46.633 11.503 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.057 49.121 12.987 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.529 49.046 12.038 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.191 48.365 10.018 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.720 48.439 10.967 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.255 50.890 11.471 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.599 50.775 10.351 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.010 49.754 9.293 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.031 51.477 9.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.785 50.982 7.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.057 51.648 8.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.017 49.978 7.963 1.00 0.00 H new ATOM 1073 N SER A 66 3.005 46.102 14.560 1.00 0.00 N ATOM 1074 CA SER A 66 3.792 45.715 15.725 1.00 0.00 C ATOM 1075 C SER A 66 4.474 44.380 15.463 1.00 0.00 C ATOM 1076 O SER A 66 4.121 43.664 14.525 1.00 0.00 O ATOM 1077 CB SER A 66 2.905 45.614 16.960 1.00 0.00 C ATOM 1078 OG SER A 66 1.751 44.855 16.640 1.00 0.00 O ATOM 0 H SER A 66 2.034 45.789 14.582 1.00 0.00 H new ATOM 0 HA SER A 66 4.550 46.478 15.906 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.451 45.143 17.778 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.618 46.609 17.300 1.00 0.00 H new ATOM 0 HG SER A 66 1.015 45.113 17.234 1.00 0.00 H new ATOM 1084 N LYS A 67 5.474 44.063 16.274 1.00 0.00 N ATOM 1085 CA LYS A 67 6.225 42.830 16.090 1.00 0.00 C ATOM 1086 C LYS A 67 5.741 41.666 16.967 1.00 0.00 C ATOM 1087 O LYS A 67 5.314 40.635 16.447 1.00 0.00 O ATOM 1088 CB LYS A 67 7.698 43.102 16.369 1.00 0.00 C ATOM 1089 CG LYS A 67 8.485 41.810 16.208 1.00 0.00 C ATOM 1090 CD LYS A 67 9.964 42.087 16.467 1.00 0.00 C ATOM 1091 CE LYS A 67 10.781 40.860 16.077 1.00 0.00 C ATOM 1092 NZ LYS A 67 11.951 40.732 16.988 1.00 0.00 N1+ ATOM 0 H LYS A 67 5.782 44.637 17.059 1.00 0.00 H new ATOM 0 HA LYS A 67 6.066 42.516 15.058 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.076 43.860 15.683 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.823 43.494 17.378 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.117 41.057 16.904 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.348 41.410 15.203 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.290 42.953 15.892 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.123 42.325 17.519 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.162 39.965 16.135 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.119 40.948 15.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.508 39.895 16.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.545 41.582 16.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.618 40.629 17.968 1.00 0.00 H new ATOM 1106 N GLU A 68 5.845 41.809 18.287 1.00 0.00 N ATOM 1107 CA GLU A 68 5.447 40.718 19.184 1.00 0.00 C ATOM 1108 C GLU A 68 3.959 40.401 19.065 1.00 0.00 C ATOM 1109 O GLU A 68 3.562 39.240 19.171 1.00 0.00 O ATOM 1110 CB GLU A 68 5.792 41.055 20.640 1.00 0.00 C ATOM 1111 CG GLU A 68 4.615 41.773 21.302 1.00 0.00 C ATOM 1112 CD GLU A 68 5.029 42.287 22.679 1.00 0.00 C ATOM 1113 OE1 GLU A 68 6.007 41.786 23.209 1.00 0.00 O ATOM 1114 OE2 GLU A 68 4.363 43.179 23.180 1.00 0.00 O1- ATOM 0 H GLU A 68 6.192 42.647 18.754 1.00 0.00 H new ATOM 0 HA GLU A 68 6.007 39.834 18.880 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.027 40.142 21.188 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.680 41.686 20.676 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.287 42.604 20.678 1.00 0.00 H new ATOM 0 HG3 GLU A 68 3.769 41.092 21.397 1.00 0.00 H new ATOM 1121 N ASP A 69 3.136 41.417 18.842 1.00 0.00 N ATOM 1122 CA ASP A 69 1.702 41.177 18.715 1.00 0.00 C ATOM 1123 C ASP A 69 1.422 40.350 17.472 1.00 0.00 C ATOM 1124 O ASP A 69 0.656 39.388 17.510 1.00 0.00 O ATOM 1125 CB ASP A 69 0.933 42.494 18.625 1.00 0.00 C ATOM 1126 CG ASP A 69 1.075 43.274 19.926 1.00 0.00 C ATOM 1127 OD1 ASP A 69 1.593 42.713 20.876 1.00 0.00 O ATOM 1128 OD2 ASP A 69 0.662 44.423 19.951 1.00 0.00 O1- ATOM 0 H ASP A 69 3.424 42.391 18.747 1.00 0.00 H new ATOM 0 HA ASP A 69 1.371 40.636 19.602 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.310 43.088 17.793 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.120 42.296 18.424 1.00 0.00 H new ATOM 1133 N ILE A 70 2.051 40.730 16.368 1.00 0.00 N ATOM 1134 CA ILE A 70 1.861 40.007 15.121 1.00 0.00 C ATOM 1135 C ILE A 70 2.304 38.563 15.269 1.00 0.00 C ATOM 1136 O ILE A 70 1.655 37.655 14.757 1.00 0.00 O ATOM 1137 CB ILE A 70 2.638 40.666 13.985 1.00 0.00 C ATOM 1138 CG1 ILE A 70 2.003 42.020 13.659 1.00 0.00 C ATOM 1139 CG2 ILE A 70 2.581 39.757 12.759 1.00 0.00 C ATOM 1140 CD1 ILE A 70 2.772 42.687 12.518 1.00 0.00 C ATOM 0 H ILE A 70 2.689 41.524 16.311 1.00 0.00 H new ATOM 0 HA ILE A 70 0.798 40.032 14.881 1.00 0.00 H new ATOM 0 HB ILE A 70 3.677 40.820 14.278 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.959 41.885 13.377 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.014 42.660 14.541 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.133 40.217 11.939 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.027 38.792 13.000 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.542 39.613 12.461 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.318 43.651 12.288 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.809 42.837 12.817 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.738 42.049 11.635 1.00 0.00 H new ATOM 1152 N LEU A 71 3.403 38.352 15.976 1.00 0.00 N ATOM 1153 CA LEU A 71 3.896 37.003 16.180 1.00 0.00 C ATOM 1154 C LEU A 71 2.824 36.164 16.849 1.00 0.00 C ATOM 1155 O LEU A 71 2.619 35.003 16.498 1.00 0.00 O ATOM 1156 CB LEU A 71 5.166 37.033 17.024 1.00 0.00 C ATOM 1157 CG LEU A 71 6.295 37.634 16.185 1.00 0.00 C ATOM 1158 CD1 LEU A 71 7.567 37.752 17.025 1.00 0.00 C ATOM 1159 CD2 LEU A 71 6.558 36.724 14.983 1.00 0.00 C ATOM 0 H LEU A 71 3.962 39.086 16.411 1.00 0.00 H new ATOM 0 HA LEU A 71 4.138 36.555 15.216 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.008 37.626 17.925 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.430 36.026 17.347 1.00 0.00 H new ATOM 0 HG LEU A 71 6.005 38.628 15.844 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.365 38.181 16.419 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.378 38.396 17.884 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.867 36.763 17.372 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.362 37.144 14.378 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.847 35.733 15.333 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.653 36.646 14.381 1.00 0.00 H new ATOM 1171 N HIS A 72 2.122 36.769 17.793 1.00 0.00 N ATOM 1172 CA HIS A 72 1.050 36.074 18.479 1.00 0.00 C ATOM 1173 C HIS A 72 -0.021 35.671 17.470 1.00 0.00 C ATOM 1174 O HIS A 72 -0.493 34.537 17.473 1.00 0.00 O ATOM 1175 CB HIS A 72 0.441 36.987 19.545 1.00 0.00 C ATOM 1176 CG HIS A 72 -0.624 36.246 20.309 1.00 0.00 C ATOM 1177 ND1 HIS A 72 -0.342 35.132 21.084 1.00 0.00 N ATOM 1178 CD2 HIS A 72 -1.977 36.454 20.432 1.00 0.00 C ATOM 1179 CE1 HIS A 72 -1.499 34.714 21.631 1.00 0.00 C ATOM 1180 NE2 HIS A 72 -2.527 35.486 21.266 1.00 0.00 N ATOM 0 H HIS A 72 2.274 37.730 18.098 1.00 0.00 H new ATOM 0 HA HIS A 72 1.447 35.180 18.961 1.00 0.00 H new ATOM 0 HB2 HIS A 72 1.218 37.331 20.228 1.00 0.00 H new ATOM 0 HB3 HIS A 72 0.014 37.873 19.076 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -2.530 37.249 19.953 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -1.586 33.859 22.285 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -3.504 35.387 21.540 1.00 0.00 H new ATOM 1189 N LYS A 73 -0.400 36.613 16.604 1.00 0.00 N ATOM 1190 CA LYS A 73 -1.424 36.343 15.595 1.00 0.00 C ATOM 1191 C LYS A 73 -0.986 35.226 14.643 1.00 0.00 C ATOM 1192 O LYS A 73 -1.715 34.253 14.450 1.00 0.00 O ATOM 1193 CB LYS A 73 -1.730 37.616 14.799 1.00 0.00 C ATOM 1194 CG LYS A 73 -2.135 38.746 15.756 1.00 0.00 C ATOM 1195 CD LYS A 73 -3.320 38.297 16.620 1.00 0.00 C ATOM 1196 CE LYS A 73 -3.974 39.515 17.281 1.00 0.00 C ATOM 1197 NZ LYS A 73 -5.417 39.571 16.911 1.00 0.00 N1+ ATOM 0 H LYS A 73 -0.018 37.559 16.581 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.326 36.015 16.112 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.855 37.913 14.221 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.533 37.426 14.087 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.292 39.016 16.392 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.404 39.637 15.188 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.050 37.770 16.006 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -2.980 37.597 17.383 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.868 39.454 18.364 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.471 40.428 16.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -5.843 40.434 17.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -5.510 39.580 15.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -5.906 38.737 17.295 1.00 0.00 H new ATOM 1211 N LEU A 74 0.192 35.366 14.036 1.00 0.00 N ATOM 1212 CA LEU A 74 0.673 34.344 13.105 1.00 0.00 C ATOM 1213 C LEU A 74 0.762 32.978 13.777 1.00 0.00 C ATOM 1214 O LEU A 74 0.474 31.958 13.153 1.00 0.00 O ATOM 1215 CB LEU A 74 2.040 34.722 12.531 1.00 0.00 C ATOM 1216 CG LEU A 74 1.873 35.690 11.353 1.00 0.00 C ATOM 1217 CD1 LEU A 74 0.890 36.806 11.712 1.00 0.00 C ATOM 1218 CD2 LEU A 74 3.234 36.299 11.007 1.00 0.00 C ATOM 0 H LEU A 74 0.820 36.159 14.167 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.050 34.287 12.291 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.652 35.183 13.306 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.565 33.825 12.202 1.00 0.00 H new ATOM 0 HG LEU A 74 1.481 35.142 10.496 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.784 37.484 10.865 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.080 36.372 11.954 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.265 37.358 12.573 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.122 36.988 10.170 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.622 36.838 11.871 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.929 35.505 10.733 1.00 0.00 H new ATOM 1230 N ASN A 75 1.156 32.951 15.046 1.00 0.00 N ATOM 1231 CA ASN A 75 1.259 31.680 15.755 1.00 0.00 C ATOM 1232 C ASN A 75 -0.098 30.981 15.762 1.00 0.00 C ATOM 1233 O ASN A 75 -0.189 29.773 15.535 1.00 0.00 O ATOM 1234 CB ASN A 75 1.720 31.915 17.194 1.00 0.00 C ATOM 1235 CG ASN A 75 3.129 32.498 17.207 1.00 0.00 C ATOM 1236 OD1 ASN A 75 3.700 32.837 16.082 1.00 0.00 O flip ATOM 1237 ND2 ASN A 75 3.728 32.651 18.271 1.00 0.00 N flip ATOM 0 H ASN A 75 1.404 33.774 15.595 1.00 0.00 H new ATOM 0 HA ASN A 75 1.989 31.051 15.245 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.033 32.595 17.697 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.702 30.976 17.747 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.283 32.386 19.150 1.00 0.00 H new ATOM 0 HD22 ASN A 75 4.670 33.042 18.274 1.00 0.00 H new ATOM 1244 N GLU A 76 -1.147 31.758 16.023 1.00 0.00 N ATOM 1245 CA GLU A 76 -2.505 31.222 16.061 1.00 0.00 C ATOM 1246 C GLU A 76 -2.923 30.689 14.694 1.00 0.00 C ATOM 1247 O GLU A 76 -3.562 29.643 14.593 1.00 0.00 O ATOM 1248 CB GLU A 76 -3.474 32.325 16.494 1.00 0.00 C ATOM 1249 CG GLU A 76 -3.128 32.775 17.914 1.00 0.00 C ATOM 1250 CD GLU A 76 -4.110 33.846 18.381 1.00 0.00 C ATOM 1251 OE1 GLU A 76 -4.676 34.517 17.532 1.00 0.00 O1- ATOM 1252 OE2 GLU A 76 -4.271 33.987 19.582 1.00 0.00 O ATOM 0 H GLU A 76 -1.083 32.758 16.211 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.530 30.398 16.774 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.412 33.169 15.808 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.500 31.959 16.456 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.160 31.922 18.592 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.111 33.167 17.942 1.00 0.00 H new ATOM 1259 N GLN A 77 -2.545 31.406 13.643 1.00 0.00 N ATOM 1260 CA GLN A 77 -2.876 30.984 12.287 1.00 0.00 C ATOM 1261 C GLN A 77 -2.013 29.804 11.877 1.00 0.00 C ATOM 1262 O GLN A 77 -2.462 28.896 11.177 1.00 0.00 O ATOM 1263 CB GLN A 77 -2.662 32.143 11.320 1.00 0.00 C ATOM 1264 CG GLN A 77 -3.619 33.276 11.686 1.00 0.00 C ATOM 1265 CD GLN A 77 -3.487 34.424 10.695 1.00 0.00 C ATOM 1266 OE1 GLN A 77 -3.661 34.231 9.491 1.00 0.00 O ATOM 1267 NE2 GLN A 77 -3.190 35.617 11.132 1.00 0.00 N ATOM 0 H GLN A 77 -2.014 32.275 13.701 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.922 30.679 12.258 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.630 32.490 11.370 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -2.839 31.816 10.295 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.645 32.907 11.690 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -3.404 33.631 12.694 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.047 35.774 12.130 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -3.101 36.393 10.476 1.00 0.00 H new ATOM 1276 N TRP A 78 -0.768 29.827 12.328 1.00 0.00 N ATOM 1277 CA TRP A 78 0.172 28.765 12.021 1.00 0.00 C ATOM 1278 C TRP A 78 -0.398 27.411 12.418 1.00 0.00 C ATOM 1279 O TRP A 78 -0.322 26.443 11.662 1.00 0.00 O ATOM 1280 CB TRP A 78 1.460 29.005 12.797 1.00 0.00 C ATOM 1281 CG TRP A 78 2.605 28.398 12.067 1.00 0.00 C ATOM 1282 CD1 TRP A 78 2.901 27.077 12.017 1.00 0.00 C ATOM 1283 CD2 TRP A 78 3.617 29.077 11.282 1.00 0.00 C ATOM 1284 NE1 TRP A 78 4.038 26.911 11.246 1.00 0.00 N ATOM 1285 CE2 TRP A 78 4.513 28.116 10.773 1.00 0.00 C ATOM 1286 CE3 TRP A 78 3.839 30.428 10.968 1.00 0.00 C ATOM 1287 CZ2 TRP A 78 5.596 28.480 9.978 1.00 0.00 C ATOM 1288 CZ3 TRP A 78 4.927 30.800 10.167 1.00 0.00 C ATOM 1289 CH2 TRP A 78 5.806 29.825 9.672 1.00 0.00 C ATOM 0 H TRP A 78 -0.386 30.573 12.910 1.00 0.00 H new ATOM 0 HA TRP A 78 0.365 28.765 10.948 1.00 0.00 H new ATOM 0 HB2 TRP A 78 1.624 30.075 12.926 1.00 0.00 H new ATOM 0 HB3 TRP A 78 1.381 28.572 13.794 1.00 0.00 H new ATOM 0 HD1 TRP A 78 2.344 26.287 12.498 1.00 0.00 H new ATOM 0 HE1 TRP A 78 4.471 26.008 11.052 1.00 0.00 H new ATOM 0 HE3 TRP A 78 3.167 31.184 11.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 6.270 27.726 9.600 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 5.089 31.841 9.930 1.00 0.00 H new ATOM 0 HH2 TRP A 78 6.644 30.115 9.055 1.00 0.00 H new ATOM 1300 N ASN A 79 -0.965 27.349 13.616 1.00 0.00 N ATOM 1301 CA ASN A 79 -1.538 26.108 14.107 1.00 0.00 C ATOM 1302 C ASN A 79 -2.864 25.822 13.410 1.00 0.00 C ATOM 1303 O ASN A 79 -3.212 24.668 13.160 1.00 0.00 O ATOM 1304 CB ASN A 79 -1.743 26.201 15.621 1.00 0.00 C ATOM 1305 CG ASN A 79 -0.393 26.380 16.310 1.00 0.00 C ATOM 1306 OD1 ASN A 79 0.646 26.070 15.724 1.00 0.00 O ATOM 1307 ND2 ASN A 79 -0.341 26.868 17.519 1.00 0.00 N ATOM 0 H ASN A 79 -1.039 28.137 14.259 1.00 0.00 H new ATOM 0 HA ASN A 79 -0.853 25.289 13.889 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.398 27.039 15.859 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.233 25.299 15.988 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.560 26.993 17.980 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.202 27.124 18.003 1.00 0.00 H new ATOM 1314 N LYS A 80 -3.600 26.886 13.103 1.00 0.00 N ATOM 1315 CA LYS A 80 -4.893 26.758 12.442 1.00 0.00 C ATOM 1316 C LYS A 80 -4.738 26.818 10.917 1.00 0.00 C ATOM 1317 O LYS A 80 -4.856 25.798 10.238 1.00 0.00 O ATOM 1318 CB LYS A 80 -5.813 27.883 12.929 1.00 0.00 C ATOM 1319 CG LYS A 80 -7.277 27.475 12.767 1.00 0.00 C ATOM 1320 CD LYS A 80 -8.170 28.706 12.960 1.00 0.00 C ATOM 1321 CE LYS A 80 -8.086 29.184 14.414 1.00 0.00 C ATOM 1322 NZ LYS A 80 -9.291 30.000 14.742 1.00 0.00 N1+ ATOM 0 H LYS A 80 -3.322 27.847 13.302 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.329 25.791 12.692 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.604 28.107 13.975 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.617 28.794 12.363 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.439 27.045 11.779 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -7.535 26.706 13.495 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -7.856 29.504 12.286 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -9.202 28.462 12.707 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -8.020 28.328 15.086 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.182 29.775 14.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -9.233 30.324 15.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -9.335 30.824 14.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -10.146 29.422 14.617 1.00 0.00 H new ATOM 1336 N ASP A 81 -4.466 28.012 10.384 1.00 0.00 N ATOM 1337 CA ASP A 81 -4.293 28.172 8.938 1.00 0.00 C ATOM 1338 C ASP A 81 -3.498 29.437 8.622 1.00 0.00 C ATOM 1339 O ASP A 81 -4.028 30.514 8.834 1.00 0.00 O ATOM 1340 CB ASP A 81 -5.652 28.247 8.241 1.00 0.00 C ATOM 1341 CG ASP A 81 -5.452 28.334 6.732 1.00 0.00 C ATOM 1342 OD1 ASP A 81 -5.203 27.305 6.126 1.00 0.00 O ATOM 1343 OD2 ASP A 81 -5.553 29.429 6.203 1.00 0.00 O1- ATOM 1344 OXT ASP A 81 -2.374 29.309 8.164 1.00 0.00 O ATOM 0 H ASP A 81 -4.362 28.871 10.923 1.00 0.00 H new ATOM 0 HA ASP A 81 -3.744 27.305 8.572 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.247 27.368 8.488 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.205 29.117 8.595 1.00 0.00 H new