USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 649 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 59 HIS : no HD1:sc= -6.94! C(o=-8.6!,f=-6.4!) USER MOD Set 1.2: A 61 TYR OH : rot -12:sc= -1.66! USER MOD Set 2.1: A 8 THR OG1 : rot -11:sc= 0.791 USER MOD Set 2.2: A 11 SER OG : rot 26:sc= -1.12! USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0623 X(o=-0.062,f=-0.32) USER MOD Single : A 20 SER OG : rot -142:sc= -1.19! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -2.61! C(o=-2.6!,f=-3.3!) USER MOD Single : A 26 THR OG1 : rot -87:sc= 0.833 USER MOD Single : A 28 ASN : amide:sc= -0.0818 X(o=-0.082,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.752 K(o=-0.75,f=0) USER MOD Single : A 35 THR OG1 : rot -88:sc= 1.18 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.412 K(o=-0.41,f=-2.6!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -168:sc=-0.00338 (180deg=-0.229) USER MOD Single : A 50 ASN : amide:sc= -0.438 K(o=-0.44,f=-4.7!) USER MOD Single : A 54 HIS : no HD1:sc=-0.00205 X(o=-0.0021,f=0) USER MOD Single : A 55 ASN : amide:sc= -0.581 K(o=-0.58,f=-3.6!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.621 K(o=-0.62,f=-1.5!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -160:sc= -5.92! USER MOD Single : A 81 GLN : amide:sc= -0.219 K(o=-0.22,f=-1.2) USER MOD Single : A 82 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.334) USER MOD ----------------------------------------------------------------- ATOM 116 N THR A 8 -9.581 5.150 1.336 1.00 0.00 N ATOM 117 CA THR A 8 -9.229 3.708 1.461 1.00 0.00 C ATOM 118 C THR A 8 -7.807 3.489 0.937 1.00 0.00 C ATOM 119 O THR A 8 -7.603 2.961 -0.138 1.00 0.00 O ATOM 120 CB THR A 8 -10.213 2.868 0.641 1.00 0.00 C ATOM 121 OG1 THR A 8 -10.752 3.662 -0.406 1.00 0.00 O ATOM 122 CG2 THR A 8 -11.343 2.378 1.548 1.00 0.00 C ATOM 0 HA THR A 8 -9.283 3.407 2.507 1.00 0.00 H new ATOM 0 HB THR A 8 -9.694 2.010 0.214 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.518 4.602 -0.258 1.00 0.00 H new ATOM 0 HG21 THR A 8 -12.044 1.780 0.965 1.00 0.00 H new ATOM 0 HG22 THR A 8 -10.927 1.770 2.351 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.864 3.235 1.975 1.00 0.00 H new ATOM 130 N TYR A 9 -6.823 3.897 1.692 1.00 0.00 N ATOM 131 CA TYR A 9 -5.411 3.722 1.245 1.00 0.00 C ATOM 132 C TYR A 9 -5.184 2.275 0.797 1.00 0.00 C ATOM 133 O TYR A 9 -4.303 1.992 0.010 1.00 0.00 O ATOM 134 CB TYR A 9 -4.469 4.046 2.405 1.00 0.00 C ATOM 135 CG TYR A 9 -4.265 5.540 2.492 1.00 0.00 C ATOM 136 CD1 TYR A 9 -5.286 6.360 2.987 1.00 0.00 C ATOM 137 CD2 TYR A 9 -3.052 6.106 2.081 1.00 0.00 C ATOM 138 CE1 TYR A 9 -5.095 7.745 3.070 1.00 0.00 C ATOM 139 CE2 TYR A 9 -2.860 7.491 2.164 1.00 0.00 C ATOM 140 CZ TYR A 9 -3.882 8.310 2.659 1.00 0.00 C ATOM 141 OH TYR A 9 -3.692 9.674 2.741 1.00 0.00 O ATOM 0 H TYR A 9 -6.936 4.345 2.601 1.00 0.00 H new ATOM 0 HA TYR A 9 -5.212 4.393 0.410 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.885 3.671 3.340 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.511 3.546 2.259 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -6.222 5.924 3.305 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -2.264 5.474 1.700 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.884 8.377 3.451 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -1.924 7.927 1.846 1.00 0.00 H new ATOM 0 HH TYR A 9 -2.795 9.899 2.416 1.00 0.00 H new ATOM 151 N ALA A 10 -5.964 1.357 1.298 1.00 0.00 N ATOM 152 CA ALA A 10 -5.784 -0.070 0.905 1.00 0.00 C ATOM 153 C ALA A 10 -6.061 -0.235 -0.591 1.00 0.00 C ATOM 154 O ALA A 10 -5.250 -0.762 -1.328 1.00 0.00 O ATOM 155 CB ALA A 10 -6.756 -0.944 1.703 1.00 0.00 C ATOM 0 H ALA A 10 -6.718 1.533 1.962 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.759 -0.375 1.116 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.626 -1.988 1.417 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.555 -0.832 2.768 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.780 -0.635 1.492 1.00 0.00 H new ATOM 161 N SER A 11 -7.202 0.205 -1.046 1.00 0.00 N ATOM 162 CA SER A 11 -7.533 0.066 -2.494 1.00 0.00 C ATOM 163 C SER A 11 -6.505 0.824 -3.338 1.00 0.00 C ATOM 164 O SER A 11 -5.914 0.279 -4.250 1.00 0.00 O ATOM 165 CB SER A 11 -8.925 0.642 -2.754 1.00 0.00 C ATOM 166 OG SER A 11 -9.182 1.688 -1.824 1.00 0.00 O ATOM 0 H SER A 11 -7.920 0.655 -0.478 1.00 0.00 H new ATOM 0 HA SER A 11 -7.514 -0.989 -2.767 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.989 1.022 -3.773 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.679 -0.140 -2.657 1.00 0.00 H new ATOM 0 HG SER A 11 -8.334 2.083 -1.533 1.00 0.00 H new ATOM 172 N LEU A 12 -6.291 2.078 -3.048 1.00 0.00 N ATOM 173 CA LEU A 12 -5.308 2.870 -3.841 1.00 0.00 C ATOM 174 C LEU A 12 -3.932 2.207 -3.766 1.00 0.00 C ATOM 175 O LEU A 12 -3.210 2.142 -4.743 1.00 0.00 O ATOM 176 CB LEU A 12 -5.222 4.289 -3.277 1.00 0.00 C ATOM 177 CG LEU A 12 -5.982 5.248 -4.194 1.00 0.00 C ATOM 178 CD1 LEU A 12 -6.682 6.313 -3.349 1.00 0.00 C ATOM 179 CD2 LEU A 12 -4.999 5.923 -5.153 1.00 0.00 C ATOM 0 H LEU A 12 -6.754 2.589 -2.296 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.633 2.911 -4.881 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.643 4.319 -2.272 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.180 4.597 -3.195 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.724 4.692 -4.766 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.224 6.997 -4.002 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.382 5.833 -2.665 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.940 6.869 -2.777 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.540 6.607 -5.807 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.257 6.479 -4.581 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.499 5.164 -5.755 1.00 0.00 H new ATOM 191 N ILE A 13 -3.561 1.712 -2.617 1.00 0.00 N ATOM 192 CA ILE A 13 -2.231 1.056 -2.490 1.00 0.00 C ATOM 193 C ILE A 13 -2.226 -0.233 -3.312 1.00 0.00 C ATOM 194 O ILE A 13 -1.286 -0.524 -4.023 1.00 0.00 O ATOM 195 CB ILE A 13 -1.955 0.734 -1.019 1.00 0.00 C ATOM 196 CG1 ILE A 13 -1.605 2.026 -0.276 1.00 0.00 C ATOM 197 CG2 ILE A 13 -0.782 -0.244 -0.917 1.00 0.00 C ATOM 198 CD1 ILE A 13 -0.213 2.500 -0.702 1.00 0.00 C ATOM 0 H ILE A 13 -4.120 1.734 -1.764 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.455 1.726 -2.859 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.842 0.282 -0.574 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.345 2.796 -0.495 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.629 1.857 0.801 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.588 -0.471 0.131 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.028 -1.164 -1.448 1.00 0.00 H new ATOM 0 HG23 ILE A 13 0.106 0.205 -1.361 1.00 0.00 H new ATOM 0 HD11 ILE A 13 0.036 3.420 -0.173 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.522 1.732 -0.461 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.205 2.686 -1.776 1.00 0.00 H new ATOM 210 N ARG A 14 -3.272 -1.008 -3.223 1.00 0.00 N ATOM 211 CA ARG A 14 -3.325 -2.271 -4.006 1.00 0.00 C ATOM 212 C ARG A 14 -3.234 -1.938 -5.495 1.00 0.00 C ATOM 213 O ARG A 14 -2.687 -2.688 -6.279 1.00 0.00 O ATOM 214 CB ARG A 14 -4.642 -2.996 -3.723 1.00 0.00 C ATOM 215 CG ARG A 14 -4.518 -4.459 -4.149 1.00 0.00 C ATOM 216 CD ARG A 14 -5.716 -4.841 -5.019 1.00 0.00 C ATOM 217 NE ARG A 14 -6.928 -4.971 -4.163 1.00 0.00 N ATOM 218 CZ ARG A 14 -7.789 -5.926 -4.392 1.00 0.00 C ATOM 219 NH1 ARG A 14 -7.922 -6.408 -5.597 1.00 0.00 N ATOM 220 NH2 ARG A 14 -8.514 -6.398 -3.416 1.00 0.00 N ATOM 0 H ARG A 14 -4.090 -0.820 -2.643 1.00 0.00 H new ATOM 0 HA ARG A 14 -2.493 -2.915 -3.721 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -4.883 -2.934 -2.662 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.458 -2.516 -4.264 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -3.591 -4.610 -4.702 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -4.474 -5.102 -3.270 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -5.879 -4.084 -5.786 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -5.520 -5.781 -5.535 1.00 0.00 H new ATOM 0 HE ARG A 14 -7.085 -4.315 -3.398 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -7.354 -6.039 -6.359 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -8.594 -7.154 -5.777 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -8.409 -6.021 -2.474 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -9.186 -7.144 -3.595 1.00 0.00 H new ATOM 234 N GLN A 15 -3.765 -0.812 -5.889 1.00 0.00 N ATOM 235 CA GLN A 15 -3.706 -0.423 -7.325 1.00 0.00 C ATOM 236 C GLN A 15 -2.247 -0.408 -7.782 1.00 0.00 C ATOM 237 O GLN A 15 -1.875 -1.078 -8.726 1.00 0.00 O ATOM 238 CB GLN A 15 -4.311 0.971 -7.498 1.00 0.00 C ATOM 239 CG GLN A 15 -4.705 1.179 -8.962 1.00 0.00 C ATOM 240 CD GLN A 15 -3.646 2.036 -9.658 1.00 0.00 C ATOM 241 OE1 GLN A 15 -3.291 3.093 -9.176 1.00 0.00 O ATOM 242 NE2 GLN A 15 -3.121 1.620 -10.778 1.00 0.00 N ATOM 0 H GLN A 15 -4.237 -0.146 -5.278 1.00 0.00 H new ATOM 0 HA GLN A 15 -4.269 -1.139 -7.924 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -5.185 1.082 -6.856 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -3.592 1.731 -7.192 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.798 0.217 -9.465 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.679 1.665 -9.022 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -3.419 0.732 -11.182 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -2.412 2.182 -11.249 1.00 0.00 H new ATOM 251 N ALA A 16 -1.416 0.349 -7.119 1.00 0.00 N ATOM 252 CA ALA A 16 0.022 0.403 -7.514 1.00 0.00 C ATOM 253 C ALA A 16 0.647 -0.987 -7.366 1.00 0.00 C ATOM 254 O ALA A 16 1.495 -1.385 -8.142 1.00 0.00 O ATOM 255 CB ALA A 16 0.759 1.391 -6.608 1.00 0.00 C ATOM 0 H ALA A 16 -1.669 0.932 -6.321 1.00 0.00 H new ATOM 0 HA ALA A 16 0.102 0.727 -8.552 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.810 1.433 -6.894 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.315 2.381 -6.712 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.678 1.064 -5.571 1.00 0.00 H new ATOM 261 N ILE A 17 0.239 -1.726 -6.371 1.00 0.00 N ATOM 262 CA ILE A 17 0.809 -3.089 -6.162 1.00 0.00 C ATOM 263 C ILE A 17 0.286 -4.047 -7.238 1.00 0.00 C ATOM 264 O ILE A 17 1.048 -4.718 -7.906 1.00 0.00 O ATOM 265 CB ILE A 17 0.395 -3.597 -4.778 1.00 0.00 C ATOM 266 CG1 ILE A 17 1.209 -2.871 -3.703 1.00 0.00 C ATOM 267 CG2 ILE A 17 0.659 -5.101 -4.680 1.00 0.00 C ATOM 268 CD1 ILE A 17 0.884 -3.466 -2.331 1.00 0.00 C ATOM 0 H ILE A 17 -0.467 -1.444 -5.691 1.00 0.00 H new ATOM 0 HA ILE A 17 1.896 -3.042 -6.229 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.667 -3.404 -4.628 1.00 0.00 H new ATOM 0 HG12 ILE A 17 2.275 -2.968 -3.911 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.978 -1.806 -3.714 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.363 -5.459 -3.694 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.081 -5.622 -5.443 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.721 -5.295 -4.833 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.463 -2.950 -1.565 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.180 -3.346 -2.125 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.137 -4.526 -2.325 1.00 0.00 H new ATOM 280 N LEU A 18 -1.006 -4.129 -7.401 1.00 0.00 N ATOM 281 CA LEU A 18 -1.569 -5.058 -8.424 1.00 0.00 C ATOM 282 C LEU A 18 -1.065 -4.670 -9.817 1.00 0.00 C ATOM 283 O LEU A 18 -1.170 -5.431 -10.758 1.00 0.00 O ATOM 284 CB LEU A 18 -3.101 -4.994 -8.386 1.00 0.00 C ATOM 285 CG LEU A 18 -3.591 -3.736 -9.107 1.00 0.00 C ATOM 286 CD1 LEU A 18 -3.753 -4.035 -10.599 1.00 0.00 C ATOM 287 CD2 LEU A 18 -4.941 -3.309 -8.526 1.00 0.00 C ATOM 0 H LEU A 18 -1.695 -3.595 -6.872 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.245 -6.075 -8.203 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.522 -5.881 -8.859 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.447 -4.989 -7.353 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.865 -2.934 -8.972 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.102 -3.140 -11.114 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.793 -4.342 -11.015 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.479 -4.837 -10.733 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.291 -2.413 -9.039 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.666 -4.112 -8.662 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.829 -3.098 -7.463 1.00 0.00 H new ATOM 299 N GLU A 19 -0.520 -3.493 -9.958 1.00 0.00 N ATOM 300 CA GLU A 19 -0.013 -3.067 -11.294 1.00 0.00 C ATOM 301 C GLU A 19 1.011 -4.085 -11.796 1.00 0.00 C ATOM 302 O GLU A 19 1.198 -4.259 -12.983 1.00 0.00 O ATOM 303 CB GLU A 19 0.650 -1.692 -11.177 1.00 0.00 C ATOM 304 CG GLU A 19 1.138 -1.244 -12.556 1.00 0.00 C ATOM 305 CD GLU A 19 2.666 -1.289 -12.597 1.00 0.00 C ATOM 306 OE1 GLU A 19 3.246 -1.890 -11.709 1.00 0.00 O ATOM 307 OE2 GLU A 19 3.232 -0.721 -13.517 1.00 0.00 O ATOM 0 H GLU A 19 -0.404 -2.810 -9.209 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.845 -3.009 -11.996 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.059 -0.967 -10.777 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.487 -1.738 -10.480 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.724 -1.892 -13.328 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.788 -0.234 -12.767 1.00 0.00 H new ATOM 314 N SER A 20 1.675 -4.762 -10.899 1.00 0.00 N ATOM 315 CA SER A 20 2.686 -5.771 -11.321 1.00 0.00 C ATOM 316 C SER A 20 1.975 -7.003 -11.888 1.00 0.00 C ATOM 317 O SER A 20 0.776 -7.140 -11.753 1.00 0.00 O ATOM 318 CB SER A 20 3.531 -6.178 -10.115 1.00 0.00 C ATOM 319 OG SER A 20 2.854 -5.807 -8.921 1.00 0.00 O ATOM 0 H SER A 20 1.560 -4.659 -9.891 1.00 0.00 H new ATOM 0 HA SER A 20 3.330 -5.341 -12.088 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.709 -7.253 -10.127 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.506 -5.693 -10.159 1.00 0.00 H new ATOM 0 HG SER A 20 3.506 -5.494 -8.259 1.00 0.00 H new ATOM 325 N PRO A 21 2.743 -7.865 -12.505 1.00 0.00 N ATOM 326 CA PRO A 21 2.221 -9.105 -13.106 1.00 0.00 C ATOM 327 C PRO A 21 1.967 -10.151 -12.018 1.00 0.00 C ATOM 328 O PRO A 21 1.308 -11.148 -12.241 1.00 0.00 O ATOM 329 CB PRO A 21 3.345 -9.550 -14.045 1.00 0.00 C ATOM 330 CG PRO A 21 4.640 -8.886 -13.520 1.00 0.00 C ATOM 331 CD PRO A 21 4.202 -7.685 -12.660 1.00 0.00 C ATOM 0 HA PRO A 21 1.273 -8.969 -13.626 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.440 -10.636 -14.050 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.139 -9.243 -15.070 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.226 -9.592 -12.930 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.271 -8.561 -14.347 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.708 -7.681 -11.694 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.437 -6.739 -13.147 1.00 0.00 H new ATOM 339 N GLU A 22 2.482 -9.929 -10.841 1.00 0.00 N ATOM 340 CA GLU A 22 2.273 -10.897 -9.737 1.00 0.00 C ATOM 341 C GLU A 22 1.733 -10.156 -8.513 1.00 0.00 C ATOM 342 O GLU A 22 2.030 -10.498 -7.387 1.00 0.00 O ATOM 343 CB GLU A 22 3.600 -11.575 -9.388 1.00 0.00 C ATOM 344 CG GLU A 22 3.740 -12.868 -10.193 1.00 0.00 C ATOM 345 CD GLU A 22 5.134 -12.926 -10.823 1.00 0.00 C ATOM 346 OE1 GLU A 22 5.752 -11.881 -10.941 1.00 0.00 O ATOM 347 OE2 GLU A 22 5.559 -14.015 -11.174 1.00 0.00 O ATOM 0 H GLU A 22 3.042 -9.112 -10.598 1.00 0.00 H new ATOM 0 HA GLU A 22 1.556 -11.657 -10.048 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.431 -10.905 -9.608 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.640 -11.793 -8.321 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.585 -13.731 -9.546 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.976 -12.911 -10.969 1.00 0.00 H new ATOM 354 N LYS A 23 0.934 -9.147 -8.733 1.00 0.00 N ATOM 355 CA LYS A 23 0.356 -8.372 -7.607 1.00 0.00 C ATOM 356 C LYS A 23 1.393 -8.175 -6.496 1.00 0.00 C ATOM 357 O LYS A 23 1.071 -8.206 -5.327 1.00 0.00 O ATOM 358 CB LYS A 23 -0.883 -9.107 -7.080 1.00 0.00 C ATOM 359 CG LYS A 23 -0.506 -10.131 -5.999 1.00 0.00 C ATOM 360 CD LYS A 23 -1.107 -11.491 -6.356 1.00 0.00 C ATOM 361 CE LYS A 23 -2.248 -11.818 -5.394 1.00 0.00 C ATOM 362 NZ LYS A 23 -3.011 -12.987 -5.913 1.00 0.00 N ATOM 0 H LYS A 23 0.656 -8.825 -9.660 1.00 0.00 H new ATOM 0 HA LYS A 23 0.063 -7.383 -7.958 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.590 -8.385 -6.670 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.386 -9.613 -7.904 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.578 -10.210 -5.919 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.874 -9.802 -5.027 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.476 -11.479 -7.382 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.340 -12.264 -6.302 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.851 -12.039 -4.403 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.908 -10.957 -5.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.788 -13.212 -5.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.401 -12.759 -6.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.377 -13.808 -5.992 1.00 0.00 H new ATOM 376 N GLN A 24 2.628 -7.959 -6.855 1.00 0.00 N ATOM 377 CA GLN A 24 3.682 -7.744 -5.821 1.00 0.00 C ATOM 378 C GLN A 24 4.417 -6.446 -6.120 1.00 0.00 C ATOM 379 O GLN A 24 4.476 -6.005 -7.252 1.00 0.00 O ATOM 380 CB GLN A 24 4.689 -8.895 -5.848 1.00 0.00 C ATOM 381 CG GLN A 24 4.794 -9.463 -7.264 1.00 0.00 C ATOM 382 CD GLN A 24 6.226 -9.939 -7.518 1.00 0.00 C ATOM 383 OE1 GLN A 24 6.637 -10.962 -7.007 1.00 0.00 O ATOM 384 NE2 GLN A 24 7.009 -9.235 -8.288 1.00 0.00 N ATOM 0 H GLN A 24 2.954 -7.922 -7.821 1.00 0.00 H new ATOM 0 HA GLN A 24 3.211 -7.697 -4.839 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.665 -8.543 -5.515 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.379 -9.677 -5.155 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.097 -10.292 -7.388 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.517 -8.702 -7.994 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.664 -8.376 -8.717 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.966 -9.543 -8.461 1.00 0.00 H new ATOM 393 N LEU A 25 4.987 -5.827 -5.126 1.00 0.00 N ATOM 394 CA LEU A 25 5.715 -4.568 -5.396 1.00 0.00 C ATOM 395 C LEU A 25 6.660 -4.220 -4.251 1.00 0.00 C ATOM 396 O LEU A 25 6.273 -4.187 -3.102 1.00 0.00 O ATOM 397 CB LEU A 25 4.716 -3.430 -5.608 1.00 0.00 C ATOM 398 CG LEU A 25 4.812 -2.917 -7.046 1.00 0.00 C ATOM 399 CD1 LEU A 25 4.034 -1.607 -7.177 1.00 0.00 C ATOM 400 CD2 LEU A 25 6.280 -2.673 -7.406 1.00 0.00 C ATOM 0 H LEU A 25 4.979 -6.136 -4.154 1.00 0.00 H new ATOM 0 HA LEU A 25 6.312 -4.706 -6.298 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.704 -3.780 -5.404 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.920 -2.619 -4.909 1.00 0.00 H new ATOM 0 HG LEU A 25 4.389 -3.660 -7.722 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.104 -1.243 -8.202 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.988 -1.778 -6.923 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.455 -0.864 -6.499 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.347 -2.308 -8.431 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.703 -1.932 -6.728 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.837 -3.606 -7.316 1.00 0.00 H new ATOM 412 N THR A 26 7.902 -3.959 -4.557 1.00 0.00 N ATOM 413 CA THR A 26 8.879 -3.611 -3.487 1.00 0.00 C ATOM 414 C THR A 26 8.421 -2.339 -2.773 1.00 0.00 C ATOM 415 O THR A 26 7.781 -1.485 -3.353 1.00 0.00 O ATOM 416 CB THR A 26 10.257 -3.373 -4.110 1.00 0.00 C ATOM 417 OG1 THR A 26 10.178 -2.290 -5.026 1.00 0.00 O ATOM 418 CG2 THR A 26 10.714 -4.633 -4.847 1.00 0.00 C ATOM 0 H THR A 26 8.282 -3.972 -5.503 1.00 0.00 H new ATOM 0 HA THR A 26 8.939 -4.431 -2.771 1.00 0.00 H new ATOM 0 HB THR A 26 10.974 -3.136 -3.324 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.911 -2.626 -5.907 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.695 -4.460 -5.289 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.774 -5.464 -4.144 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.999 -4.874 -5.634 1.00 0.00 H new ATOM 426 N LEU A 27 8.748 -2.204 -1.518 1.00 0.00 N ATOM 427 CA LEU A 27 8.336 -0.984 -0.768 1.00 0.00 C ATOM 428 C LEU A 27 8.804 0.260 -1.526 1.00 0.00 C ATOM 429 O LEU A 27 8.104 1.249 -1.609 1.00 0.00 O ATOM 430 CB LEU A 27 8.976 -1.004 0.621 1.00 0.00 C ATOM 431 CG LEU A 27 10.480 -1.246 0.483 1.00 0.00 C ATOM 432 CD1 LEU A 27 11.225 0.084 0.613 1.00 0.00 C ATOM 433 CD2 LEU A 27 10.944 -2.199 1.585 1.00 0.00 C ATOM 0 H LEU A 27 9.283 -2.885 -0.979 1.00 0.00 H new ATOM 0 HA LEU A 27 7.251 -0.964 -0.670 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.794 -0.058 1.131 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.525 -1.787 1.230 1.00 0.00 H new ATOM 0 HG LEU A 27 10.690 -1.686 -0.492 1.00 0.00 H new ATOM 0 HD11 LEU A 27 12.297 -0.088 0.515 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.893 0.765 -0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 27 11.016 0.524 1.588 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.016 -2.373 1.488 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.734 -1.758 2.559 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.413 -3.147 1.494 1.00 0.00 H new ATOM 445 N ASN A 28 9.985 0.215 -2.081 1.00 0.00 N ATOM 446 CA ASN A 28 10.504 1.392 -2.834 1.00 0.00 C ATOM 447 C ASN A 28 9.532 1.750 -3.960 1.00 0.00 C ATOM 448 O ASN A 28 9.121 2.884 -4.100 1.00 0.00 O ATOM 449 CB ASN A 28 11.872 1.055 -3.430 1.00 0.00 C ATOM 450 CG ASN A 28 12.495 2.319 -4.027 1.00 0.00 C ATOM 451 OD1 ASN A 28 12.825 2.356 -5.195 1.00 0.00 O ATOM 452 ND2 ASN A 28 12.671 3.365 -3.266 1.00 0.00 N ATOM 0 H ASN A 28 10.614 -0.588 -2.045 1.00 0.00 H new ATOM 0 HA ASN A 28 10.602 2.240 -2.156 1.00 0.00 H new ATOM 0 HB2 ASN A 28 12.525 0.644 -2.660 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.767 0.290 -4.200 1.00 0.00 H new ATOM 0 HD21 ASN A 28 13.086 4.213 -3.653 1.00 0.00 H new ATOM 0 HD22 ASN A 28 12.394 3.334 -2.285 1.00 0.00 H new ATOM 459 N GLU A 29 9.165 0.793 -4.767 1.00 0.00 N ATOM 460 CA GLU A 29 8.223 1.082 -5.885 1.00 0.00 C ATOM 461 C GLU A 29 6.952 1.734 -5.335 1.00 0.00 C ATOM 462 O GLU A 29 6.339 2.558 -5.982 1.00 0.00 O ATOM 463 CB GLU A 29 7.862 -0.224 -6.597 1.00 0.00 C ATOM 464 CG GLU A 29 8.602 -0.295 -7.936 1.00 0.00 C ATOM 465 CD GLU A 29 9.472 -1.554 -7.973 1.00 0.00 C ATOM 466 OE1 GLU A 29 9.238 -2.435 -7.162 1.00 0.00 O ATOM 467 OE2 GLU A 29 10.355 -1.615 -8.813 1.00 0.00 O ATOM 0 H GLU A 29 9.476 -0.176 -4.701 1.00 0.00 H new ATOM 0 HA GLU A 29 8.699 1.763 -6.591 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.132 -1.077 -5.974 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.786 -0.276 -6.761 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.887 -0.310 -8.758 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.222 0.592 -8.069 1.00 0.00 H new ATOM 474 N ILE A 30 6.550 1.370 -4.145 1.00 0.00 N ATOM 475 CA ILE A 30 5.317 1.970 -3.555 1.00 0.00 C ATOM 476 C ILE A 30 5.612 3.400 -3.091 1.00 0.00 C ATOM 477 O ILE A 30 4.768 4.271 -3.154 1.00 0.00 O ATOM 478 CB ILE A 30 4.865 1.130 -2.358 1.00 0.00 C ATOM 479 CG1 ILE A 30 4.548 -0.294 -2.824 1.00 0.00 C ATOM 480 CG2 ILE A 30 3.612 1.752 -1.740 1.00 0.00 C ATOM 481 CD1 ILE A 30 3.548 -0.242 -3.980 1.00 0.00 C ATOM 0 H ILE A 30 7.022 0.683 -3.557 1.00 0.00 H new ATOM 0 HA ILE A 30 4.528 1.989 -4.307 1.00 0.00 H new ATOM 0 HB ILE A 30 5.662 1.102 -1.615 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.462 -0.796 -3.142 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.136 -0.875 -1.999 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.291 1.153 -0.888 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.835 2.766 -1.408 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.816 1.781 -2.484 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.322 -1.255 -4.312 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.631 0.243 -3.646 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.977 0.323 -4.807 1.00 0.00 H new ATOM 493 N TYR A 31 6.802 3.650 -2.621 1.00 0.00 N ATOM 494 CA TYR A 31 7.144 5.024 -2.155 1.00 0.00 C ATOM 495 C TYR A 31 7.413 5.923 -3.367 1.00 0.00 C ATOM 496 O TYR A 31 7.152 7.110 -3.343 1.00 0.00 O ATOM 497 CB TYR A 31 8.396 4.962 -1.270 1.00 0.00 C ATOM 498 CG TYR A 31 8.990 6.345 -1.125 1.00 0.00 C ATOM 499 CD1 TYR A 31 9.776 6.879 -2.153 1.00 0.00 C ATOM 500 CD2 TYR A 31 8.754 7.093 0.035 1.00 0.00 C ATOM 501 CE1 TYR A 31 10.326 8.160 -2.021 1.00 0.00 C ATOM 502 CE2 TYR A 31 9.304 8.374 0.166 1.00 0.00 C ATOM 503 CZ TYR A 31 10.089 8.907 -0.862 1.00 0.00 C ATOM 504 OH TYR A 31 10.631 10.170 -0.734 1.00 0.00 O ATOM 0 H TYR A 31 7.552 2.964 -2.539 1.00 0.00 H new ATOM 0 HA TYR A 31 6.313 5.434 -1.581 1.00 0.00 H new ATOM 0 HB2 TYR A 31 8.140 4.562 -0.289 1.00 0.00 H new ATOM 0 HB3 TYR A 31 9.129 4.285 -1.709 1.00 0.00 H new ATOM 0 HD1 TYR A 31 9.958 6.303 -3.048 1.00 0.00 H new ATOM 0 HD2 TYR A 31 8.148 6.682 0.829 1.00 0.00 H new ATOM 0 HE1 TYR A 31 10.933 8.571 -2.814 1.00 0.00 H new ATOM 0 HE2 TYR A 31 9.122 8.951 1.061 1.00 0.00 H new ATOM 0 HH TYR A 31 10.369 10.552 0.130 1.00 0.00 H new ATOM 514 N ASN A 32 7.955 5.370 -4.416 1.00 0.00 N ATOM 515 CA ASN A 32 8.269 6.190 -5.620 1.00 0.00 C ATOM 516 C ASN A 32 6.986 6.691 -6.296 1.00 0.00 C ATOM 517 O ASN A 32 6.853 7.864 -6.580 1.00 0.00 O ATOM 518 CB ASN A 32 9.066 5.342 -6.613 1.00 0.00 C ATOM 519 CG ASN A 32 10.278 6.136 -7.104 1.00 0.00 C ATOM 520 OD1 ASN A 32 11.346 6.052 -6.531 1.00 0.00 O ATOM 521 ND2 ASN A 32 10.156 6.909 -8.149 1.00 0.00 N ATOM 0 H ASN A 32 8.195 4.382 -4.492 1.00 0.00 H new ATOM 0 HA ASN A 32 8.854 7.055 -5.307 1.00 0.00 H new ATOM 0 HB2 ASN A 32 9.392 4.417 -6.138 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.435 5.062 -7.457 1.00 0.00 H new ATOM 0 HD21 ASN A 32 10.958 7.443 -8.485 1.00 0.00 H new ATOM 0 HD22 ASN A 32 9.259 6.979 -8.630 1.00 0.00 H new ATOM 528 N TRP A 33 6.051 5.822 -6.584 1.00 0.00 N ATOM 529 CA TRP A 33 4.811 6.289 -7.272 1.00 0.00 C ATOM 530 C TRP A 33 4.006 7.221 -6.361 1.00 0.00 C ATOM 531 O TRP A 33 3.447 8.201 -6.813 1.00 0.00 O ATOM 532 CB TRP A 33 3.957 5.089 -7.707 1.00 0.00 C ATOM 533 CG TRP A 33 3.200 4.526 -6.545 1.00 0.00 C ATOM 534 CD1 TRP A 33 3.759 3.936 -5.468 1.00 0.00 C ATOM 535 CD2 TRP A 33 1.757 4.473 -6.337 1.00 0.00 C ATOM 536 NE1 TRP A 33 2.756 3.527 -4.609 1.00 0.00 N ATOM 537 CE2 TRP A 33 1.504 3.836 -5.101 1.00 0.00 C ATOM 538 CE3 TRP A 33 0.652 4.914 -7.091 1.00 0.00 C ATOM 539 CZ2 TRP A 33 0.205 3.642 -4.627 1.00 0.00 C ATOM 540 CZ3 TRP A 33 -0.656 4.719 -6.617 1.00 0.00 C ATOM 541 CH2 TRP A 33 -0.878 4.085 -5.389 1.00 0.00 C ATOM 0 H TRP A 33 6.091 4.824 -6.376 1.00 0.00 H new ATOM 0 HA TRP A 33 5.100 6.849 -8.162 1.00 0.00 H new ATOM 0 HB2 TRP A 33 3.260 5.397 -8.486 1.00 0.00 H new ATOM 0 HB3 TRP A 33 4.597 4.319 -8.138 1.00 0.00 H new ATOM 0 HD1 TRP A 33 4.818 3.805 -5.304 1.00 0.00 H new ATOM 0 HE1 TRP A 33 2.921 3.055 -3.720 1.00 0.00 H new ATOM 0 HE3 TRP A 33 0.811 5.405 -8.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 0.039 3.153 -3.678 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -1.496 5.061 -7.204 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -1.886 3.939 -5.031 1.00 0.00 H new ATOM 552 N PHE A 34 3.932 6.941 -5.088 1.00 0.00 N ATOM 553 CA PHE A 34 3.152 7.837 -4.184 1.00 0.00 C ATOM 554 C PHE A 34 3.817 9.219 -4.093 1.00 0.00 C ATOM 555 O PHE A 34 3.218 10.229 -4.386 1.00 0.00 O ATOM 556 CB PHE A 34 3.081 7.228 -2.782 1.00 0.00 C ATOM 557 CG PHE A 34 1.637 6.958 -2.425 1.00 0.00 C ATOM 558 CD1 PHE A 34 0.841 7.973 -1.870 1.00 0.00 C ATOM 559 CD2 PHE A 34 1.094 5.691 -2.652 1.00 0.00 C ATOM 560 CE1 PHE A 34 -0.496 7.713 -1.547 1.00 0.00 C ATOM 561 CE2 PHE A 34 -0.242 5.433 -2.330 1.00 0.00 C ATOM 562 CZ PHE A 34 -1.039 6.443 -1.778 1.00 0.00 C ATOM 0 H PHE A 34 4.373 6.139 -4.637 1.00 0.00 H new ATOM 0 HA PHE A 34 2.147 7.946 -4.593 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.655 6.302 -2.746 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.526 7.908 -2.055 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.260 8.953 -1.693 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.707 4.910 -3.077 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.109 8.492 -1.119 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.660 4.453 -2.507 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.071 6.243 -1.531 1.00 0.00 H new ATOM 572 N THR A 35 5.046 9.275 -3.671 1.00 0.00 N ATOM 573 CA THR A 35 5.736 10.592 -3.532 1.00 0.00 C ATOM 574 C THR A 35 5.697 11.372 -4.850 1.00 0.00 C ATOM 575 O THR A 35 5.535 12.576 -4.864 1.00 0.00 O ATOM 576 CB THR A 35 7.192 10.354 -3.128 1.00 0.00 C ATOM 577 OG1 THR A 35 7.806 9.484 -4.068 1.00 0.00 O ATOM 578 CG2 THR A 35 7.241 9.722 -1.737 1.00 0.00 C ATOM 0 H THR A 35 5.608 8.464 -3.414 1.00 0.00 H new ATOM 0 HA THR A 35 5.222 11.177 -2.769 1.00 0.00 H new ATOM 0 HB THR A 35 7.725 11.305 -3.111 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.659 8.554 -3.797 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.279 9.553 -1.451 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.770 10.391 -1.017 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.709 8.771 -1.751 1.00 0.00 H new ATOM 586 N ARG A 36 5.877 10.705 -5.949 1.00 0.00 N ATOM 587 CA ARG A 36 5.887 11.408 -7.264 1.00 0.00 C ATOM 588 C ARG A 36 4.563 12.137 -7.532 1.00 0.00 C ATOM 589 O ARG A 36 4.527 13.347 -7.639 1.00 0.00 O ATOM 590 CB ARG A 36 6.129 10.388 -8.378 1.00 0.00 C ATOM 591 CG ARG A 36 7.440 10.717 -9.095 1.00 0.00 C ATOM 592 CD ARG A 36 8.621 10.248 -8.242 1.00 0.00 C ATOM 593 NE ARG A 36 9.896 10.665 -8.891 1.00 0.00 N ATOM 594 CZ ARG A 36 10.506 9.856 -9.711 1.00 0.00 C ATOM 595 NH1 ARG A 36 9.943 9.527 -10.842 1.00 0.00 N ATOM 596 NH2 ARG A 36 11.679 9.374 -9.403 1.00 0.00 N ATOM 0 H ARG A 36 6.019 9.696 -5.998 1.00 0.00 H new ATOM 0 HA ARG A 36 6.684 12.151 -7.240 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.173 9.382 -7.961 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.301 10.404 -9.086 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.466 10.230 -10.070 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.510 11.790 -9.273 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.553 10.674 -7.241 1.00 0.00 H new ATOM 0 HD3 ARG A 36 8.595 9.164 -8.129 1.00 0.00 H new ATOM 0 HE ARG A 36 10.292 11.584 -8.693 1.00 0.00 H new ATOM 0 HH11 ARG A 36 9.026 9.903 -11.084 1.00 0.00 H new ATOM 0 HH12 ARG A 36 10.420 8.894 -11.484 1.00 0.00 H new ATOM 0 HH21 ARG A 36 12.120 9.630 -8.520 1.00 0.00 H new ATOM 0 HH22 ARG A 36 12.155 8.741 -10.046 1.00 0.00 H new ATOM 610 N MET A 37 3.485 11.418 -7.695 1.00 0.00 N ATOM 611 CA MET A 37 2.185 12.089 -8.016 1.00 0.00 C ATOM 612 C MET A 37 1.334 12.330 -6.764 1.00 0.00 C ATOM 613 O MET A 37 0.156 12.612 -6.864 1.00 0.00 O ATOM 614 CB MET A 37 1.396 11.211 -8.989 1.00 0.00 C ATOM 615 CG MET A 37 2.102 11.194 -10.346 1.00 0.00 C ATOM 616 SD MET A 37 0.958 11.761 -11.628 1.00 0.00 S ATOM 617 CE MET A 37 2.101 11.627 -13.024 1.00 0.00 C ATOM 0 H MET A 37 3.444 10.401 -7.621 1.00 0.00 H new ATOM 0 HA MET A 37 2.413 13.059 -8.459 1.00 0.00 H new ATOM 0 HB2 MET A 37 1.314 10.197 -8.597 1.00 0.00 H new ATOM 0 HB3 MET A 37 0.381 11.593 -9.100 1.00 0.00 H new ATOM 0 HG2 MET A 37 2.982 11.837 -10.318 1.00 0.00 H new ATOM 0 HG3 MET A 37 2.450 10.187 -10.574 1.00 0.00 H new ATOM 0 HE1 MET A 37 1.595 11.934 -13.939 1.00 0.00 H new ATOM 0 HE2 MET A 37 2.963 12.272 -12.852 1.00 0.00 H new ATOM 0 HE3 MET A 37 2.435 10.594 -13.123 1.00 0.00 H new ATOM 627 N PHE A 38 1.888 12.222 -5.590 1.00 0.00 N ATOM 628 CA PHE A 38 1.053 12.450 -4.380 1.00 0.00 C ATOM 629 C PHE A 38 1.700 13.521 -3.504 1.00 0.00 C ATOM 630 O PHE A 38 2.659 13.249 -2.809 1.00 0.00 O ATOM 631 CB PHE A 38 0.915 11.167 -3.542 1.00 0.00 C ATOM 632 CG PHE A 38 0.449 9.992 -4.392 1.00 0.00 C ATOM 633 CD1 PHE A 38 1.060 9.677 -5.622 1.00 0.00 C ATOM 634 CD2 PHE A 38 -0.628 9.217 -3.942 1.00 0.00 C ATOM 635 CE1 PHE A 38 0.591 8.603 -6.384 1.00 0.00 C ATOM 636 CE2 PHE A 38 -1.089 8.137 -4.708 1.00 0.00 C ATOM 637 CZ PHE A 38 -0.481 7.834 -5.927 1.00 0.00 C ATOM 0 H PHE A 38 2.866 11.990 -5.417 1.00 0.00 H new ATOM 0 HA PHE A 38 0.065 12.765 -4.716 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.874 10.927 -3.082 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.206 11.335 -2.732 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.892 10.267 -5.977 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.105 9.452 -3.002 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.059 8.368 -7.328 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.916 7.539 -4.354 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.840 7.004 -6.517 1.00 0.00 H new ATOM 647 N PRO A 39 1.140 14.701 -3.531 1.00 0.00 N ATOM 648 CA PRO A 39 1.626 15.818 -2.712 1.00 0.00 C ATOM 649 C PRO A 39 1.095 15.660 -1.283 1.00 0.00 C ATOM 650 O PRO A 39 1.203 16.554 -0.466 1.00 0.00 O ATOM 651 CB PRO A 39 1.019 17.052 -3.385 1.00 0.00 C ATOM 652 CG PRO A 39 -0.213 16.552 -4.176 1.00 0.00 C ATOM 653 CD PRO A 39 -0.020 15.038 -4.383 1.00 0.00 C ATOM 0 HA PRO A 39 2.712 15.877 -2.646 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.729 17.797 -2.643 1.00 0.00 H new ATOM 0 HB3 PRO A 39 1.741 17.528 -4.049 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -1.133 16.754 -3.628 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.293 17.067 -5.134 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -0.908 14.479 -4.087 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.172 14.800 -5.429 1.00 0.00 H new ATOM 661 N TYR A 40 0.518 14.523 -0.979 1.00 0.00 N ATOM 662 CA TYR A 40 -0.025 14.302 0.384 1.00 0.00 C ATOM 663 C TYR A 40 1.110 13.900 1.318 1.00 0.00 C ATOM 664 O TYR A 40 1.015 14.033 2.523 1.00 0.00 O ATOM 665 CB TYR A 40 -1.076 13.190 0.341 1.00 0.00 C ATOM 666 CG TYR A 40 -1.781 13.109 1.673 1.00 0.00 C ATOM 667 CD1 TYR A 40 -1.138 12.525 2.771 1.00 0.00 C ATOM 668 CD2 TYR A 40 -3.077 13.619 1.811 1.00 0.00 C ATOM 669 CE1 TYR A 40 -1.792 12.451 4.007 1.00 0.00 C ATOM 670 CE2 TYR A 40 -3.731 13.545 3.047 1.00 0.00 C ATOM 671 CZ TYR A 40 -3.089 12.960 4.144 1.00 0.00 C ATOM 672 OH TYR A 40 -3.733 12.886 5.363 1.00 0.00 O ATOM 0 H TYR A 40 0.403 13.740 -1.623 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.488 15.219 0.748 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.797 13.388 -0.452 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.602 12.236 0.110 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -0.138 12.132 2.665 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.573 14.070 0.964 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.296 12.001 4.854 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -4.731 13.939 3.154 1.00 0.00 H new ATOM 0 HH TYR A 40 -4.625 13.286 5.287 1.00 0.00 H new ATOM 682 N PHE A 41 2.182 13.406 0.771 1.00 0.00 N ATOM 683 CA PHE A 41 3.326 12.990 1.622 1.00 0.00 C ATOM 684 C PHE A 41 4.317 14.149 1.764 1.00 0.00 C ATOM 685 O PHE A 41 5.289 14.060 2.486 1.00 0.00 O ATOM 686 CB PHE A 41 4.025 11.793 0.974 1.00 0.00 C ATOM 687 CG PHE A 41 3.165 10.550 1.096 1.00 0.00 C ATOM 688 CD1 PHE A 41 2.250 10.412 2.149 1.00 0.00 C ATOM 689 CD2 PHE A 41 3.302 9.522 0.160 1.00 0.00 C ATOM 690 CE1 PHE A 41 1.480 9.250 2.263 1.00 0.00 C ATOM 691 CE2 PHE A 41 2.531 8.363 0.276 1.00 0.00 C ATOM 692 CZ PHE A 41 1.621 8.225 1.327 1.00 0.00 C ATOM 0 H PHE A 41 2.315 13.272 -0.231 1.00 0.00 H new ATOM 0 HA PHE A 41 2.961 12.712 2.611 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.223 12.004 -0.077 1.00 0.00 H new ATOM 0 HB3 PHE A 41 4.990 11.624 1.453 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.139 11.205 2.874 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.005 9.623 -0.654 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.776 9.146 3.076 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.639 7.570 -0.450 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.028 7.327 1.415 1.00 0.00 H new ATOM 702 N ARG A 42 4.079 15.239 1.087 1.00 0.00 N ATOM 703 CA ARG A 42 5.010 16.399 1.195 1.00 0.00 C ATOM 704 C ARG A 42 4.599 17.279 2.381 1.00 0.00 C ATOM 705 O ARG A 42 4.942 18.441 2.451 1.00 0.00 O ATOM 706 CB ARG A 42 4.951 17.221 -0.094 1.00 0.00 C ATOM 707 CG ARG A 42 6.336 17.799 -0.397 1.00 0.00 C ATOM 708 CD ARG A 42 6.259 18.678 -1.646 1.00 0.00 C ATOM 709 NE ARG A 42 6.890 19.999 -1.362 1.00 0.00 N ATOM 710 CZ ARG A 42 7.351 20.727 -2.342 1.00 0.00 C ATOM 711 NH1 ARG A 42 8.575 20.556 -2.762 1.00 0.00 N ATOM 712 NH2 ARG A 42 6.589 21.626 -2.902 1.00 0.00 N ATOM 0 H ARG A 42 3.282 15.377 0.465 1.00 0.00 H new ATOM 0 HA ARG A 42 6.026 16.035 1.349 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.618 16.595 -0.922 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.224 18.027 0.009 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.691 18.384 0.451 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.053 16.992 -0.550 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.767 18.191 -2.478 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.220 18.816 -1.944 1.00 0.00 H new ATOM 0 HE ARG A 42 6.961 20.334 -0.401 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.171 19.853 -2.324 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.936 21.125 -3.528 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.633 21.760 -2.574 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.950 22.195 -3.668 1.00 0.00 H new ATOM 726 N ARG A 43 3.867 16.731 3.312 1.00 0.00 N ATOM 727 CA ARG A 43 3.434 17.528 4.492 1.00 0.00 C ATOM 728 C ARG A 43 3.410 16.629 5.728 1.00 0.00 C ATOM 729 O ARG A 43 4.107 16.865 6.694 1.00 0.00 O ATOM 730 CB ARG A 43 2.032 18.089 4.241 1.00 0.00 C ATOM 731 CG ARG A 43 2.108 19.218 3.212 1.00 0.00 C ATOM 732 CD ARG A 43 0.900 20.142 3.375 1.00 0.00 C ATOM 733 NE ARG A 43 1.327 21.406 4.036 1.00 0.00 N ATOM 734 CZ ARG A 43 0.969 22.558 3.537 1.00 0.00 C ATOM 735 NH1 ARG A 43 -0.296 22.823 3.351 1.00 0.00 N ATOM 736 NH2 ARG A 43 1.874 23.444 3.223 1.00 0.00 N ATOM 0 H ARG A 43 3.550 15.762 3.305 1.00 0.00 H new ATOM 0 HA ARG A 43 4.130 18.351 4.653 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.372 17.299 3.881 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.606 18.461 5.173 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.031 19.783 3.344 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.129 18.804 2.204 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.461 20.359 2.401 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.130 19.650 3.970 1.00 0.00 H new ATOM 0 HE ARG A 43 1.900 21.372 4.879 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.004 22.130 3.596 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.577 23.723 2.961 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.862 23.237 3.367 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.593 24.344 2.833 1.00 0.00 H new ATOM 750 N ASN A 44 2.611 15.597 5.702 1.00 0.00 N ATOM 751 CA ASN A 44 2.538 14.679 6.873 1.00 0.00 C ATOM 752 C ASN A 44 3.131 13.319 6.494 1.00 0.00 C ATOM 753 O ASN A 44 2.422 12.349 6.319 1.00 0.00 O ATOM 754 CB ASN A 44 1.076 14.499 7.289 1.00 0.00 C ATOM 755 CG ASN A 44 0.790 15.351 8.527 1.00 0.00 C ATOM 756 OD1 ASN A 44 1.689 15.671 9.280 1.00 0.00 O ATOM 757 ND2 ASN A 44 -0.433 15.734 8.772 1.00 0.00 N ATOM 0 H ASN A 44 2.005 15.350 4.919 1.00 0.00 H new ATOM 0 HA ASN A 44 3.103 15.103 7.703 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.416 14.791 6.473 1.00 0.00 H new ATOM 0 HB3 ASN A 44 0.874 13.449 7.502 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.634 16.302 9.595 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.188 15.466 8.140 1.00 0.00 H new ATOM 764 N ALA A 45 4.428 13.241 6.373 1.00 0.00 N ATOM 765 CA ALA A 45 5.069 11.950 6.017 1.00 0.00 C ATOM 766 C ALA A 45 5.296 11.141 7.297 1.00 0.00 C ATOM 767 O ALA A 45 5.619 9.970 7.256 1.00 0.00 O ATOM 768 CB ALA A 45 6.411 12.217 5.333 1.00 0.00 C ATOM 0 H ALA A 45 5.071 14.021 6.507 1.00 0.00 H new ATOM 0 HA ALA A 45 4.426 11.392 5.336 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.881 11.269 5.072 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.248 12.803 4.428 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.061 12.770 6.011 1.00 0.00 H new ATOM 774 N ALA A 46 5.123 11.761 8.434 1.00 0.00 N ATOM 775 CA ALA A 46 5.320 11.039 9.721 1.00 0.00 C ATOM 776 C ALA A 46 4.031 10.297 10.087 1.00 0.00 C ATOM 777 O ALA A 46 4.046 9.334 10.828 1.00 0.00 O ATOM 778 CB ALA A 46 5.651 12.049 10.822 1.00 0.00 C ATOM 0 H ALA A 46 4.853 12.740 8.525 1.00 0.00 H new ATOM 0 HA ALA A 46 6.138 10.326 9.620 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.796 11.524 11.766 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.563 12.585 10.561 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.830 12.758 10.924 1.00 0.00 H new ATOM 784 N THR A 47 2.913 10.748 9.582 1.00 0.00 N ATOM 785 CA THR A 47 1.619 10.079 9.910 1.00 0.00 C ATOM 786 C THR A 47 1.378 8.887 8.976 1.00 0.00 C ATOM 787 O THR A 47 0.994 7.820 9.411 1.00 0.00 O ATOM 788 CB THR A 47 0.477 11.085 9.753 1.00 0.00 C ATOM 789 OG1 THR A 47 0.563 12.059 10.784 1.00 0.00 O ATOM 790 CG2 THR A 47 -0.865 10.358 9.846 1.00 0.00 C ATOM 0 H THR A 47 2.840 11.551 8.957 1.00 0.00 H new ATOM 0 HA THR A 47 1.660 9.717 10.937 1.00 0.00 H new ATOM 0 HB THR A 47 0.554 11.574 8.782 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.167 12.706 10.685 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.677 11.077 9.734 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.930 9.611 9.055 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.946 9.867 10.816 1.00 0.00 H new ATOM 798 N TRP A 48 1.580 9.057 7.696 1.00 0.00 N ATOM 799 CA TRP A 48 1.337 7.925 6.751 1.00 0.00 C ATOM 800 C TRP A 48 2.344 6.798 7.009 1.00 0.00 C ATOM 801 O TRP A 48 2.009 5.632 6.943 1.00 0.00 O ATOM 802 CB TRP A 48 1.462 8.424 5.300 1.00 0.00 C ATOM 803 CG TRP A 48 2.891 8.406 4.861 1.00 0.00 C ATOM 804 CD1 TRP A 48 3.852 9.204 5.356 1.00 0.00 C ATOM 805 CD2 TRP A 48 3.531 7.565 3.857 1.00 0.00 C ATOM 806 NE1 TRP A 48 5.047 8.921 4.720 1.00 0.00 N ATOM 807 CE2 TRP A 48 4.900 7.916 3.786 1.00 0.00 C ATOM 808 CE3 TRP A 48 3.063 6.545 3.010 1.00 0.00 C ATOM 809 CZ2 TRP A 48 5.773 7.277 2.904 1.00 0.00 C ATOM 810 CZ3 TRP A 48 3.938 5.901 2.121 1.00 0.00 C ATOM 811 CH2 TRP A 48 5.291 6.267 2.069 1.00 0.00 C ATOM 0 H TRP A 48 1.901 9.924 7.265 1.00 0.00 H new ATOM 0 HA TRP A 48 0.331 7.538 6.910 1.00 0.00 H new ATOM 0 HB2 TRP A 48 0.865 7.795 4.640 1.00 0.00 H new ATOM 0 HB3 TRP A 48 1.064 9.436 5.222 1.00 0.00 H new ATOM 0 HD1 TRP A 48 3.713 9.947 6.127 1.00 0.00 H new ATOM 0 HE1 TRP A 48 5.928 9.396 4.917 1.00 0.00 H new ATOM 0 HE3 TRP A 48 2.023 6.255 3.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 6.814 7.562 2.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 3.567 5.120 1.474 1.00 0.00 H new ATOM 0 HH2 TRP A 48 5.960 5.768 1.383 1.00 0.00 H new ATOM 822 N LYS A 49 3.575 7.130 7.294 1.00 0.00 N ATOM 823 CA LYS A 49 4.583 6.063 7.542 1.00 0.00 C ATOM 824 C LYS A 49 4.050 5.107 8.608 1.00 0.00 C ATOM 825 O LYS A 49 4.223 3.907 8.524 1.00 0.00 O ATOM 826 CB LYS A 49 5.898 6.685 8.014 1.00 0.00 C ATOM 827 CG LYS A 49 5.689 7.383 9.359 1.00 0.00 C ATOM 828 CD LYS A 49 6.985 8.083 9.776 1.00 0.00 C ATOM 829 CE LYS A 49 8.145 7.085 9.744 1.00 0.00 C ATOM 830 NZ LYS A 49 7.898 6.000 10.737 1.00 0.00 N ATOM 0 H LYS A 49 3.923 8.086 7.365 1.00 0.00 H new ATOM 0 HA LYS A 49 4.766 5.515 6.618 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.662 5.913 8.109 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.258 7.401 7.275 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.879 8.109 9.283 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.395 6.656 10.116 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.191 8.917 9.105 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.879 8.499 10.778 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.246 6.661 8.745 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.082 7.593 9.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.765 5.440 10.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.622 6.419 11.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.134 5.383 10.394 1.00 0.00 H new ATOM 844 N ASN A 50 3.392 5.626 9.607 1.00 0.00 N ATOM 845 CA ASN A 50 2.840 4.746 10.673 1.00 0.00 C ATOM 846 C ASN A 50 1.570 4.069 10.156 1.00 0.00 C ATOM 847 O ASN A 50 1.371 2.883 10.331 1.00 0.00 O ATOM 848 CB ASN A 50 2.507 5.586 11.908 1.00 0.00 C ATOM 849 CG ASN A 50 3.751 5.713 12.789 1.00 0.00 C ATOM 850 OD1 ASN A 50 4.807 6.083 12.316 1.00 0.00 O ATOM 851 ND2 ASN A 50 3.671 5.419 14.057 1.00 0.00 N ATOM 0 H ASN A 50 3.213 6.622 9.731 1.00 0.00 H new ATOM 0 HA ASN A 50 3.576 3.988 10.942 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.160 6.574 11.606 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.697 5.121 12.469 1.00 0.00 H new ATOM 0 HD21 ASN A 50 4.495 5.500 14.652 1.00 0.00 H new ATOM 0 HD22 ASN A 50 2.784 5.108 14.454 1.00 0.00 H new ATOM 858 N ALA A 51 0.709 4.812 9.516 1.00 0.00 N ATOM 859 CA ALA A 51 -0.545 4.210 8.984 1.00 0.00 C ATOM 860 C ALA A 51 -0.188 3.094 8.001 1.00 0.00 C ATOM 861 O ALA A 51 -0.684 1.988 8.093 1.00 0.00 O ATOM 862 CB ALA A 51 -1.365 5.283 8.266 1.00 0.00 C ATOM 0 H ALA A 51 0.820 5.810 9.339 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.132 3.801 9.806 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.282 4.841 7.877 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.615 6.080 8.967 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.783 5.695 7.441 1.00 0.00 H new ATOM 868 N VAL A 52 0.673 3.372 7.061 1.00 0.00 N ATOM 869 CA VAL A 52 1.066 2.325 6.076 1.00 0.00 C ATOM 870 C VAL A 52 1.636 1.118 6.823 1.00 0.00 C ATOM 871 O VAL A 52 1.145 0.013 6.703 1.00 0.00 O ATOM 872 CB VAL A 52 2.128 2.890 5.130 1.00 0.00 C ATOM 873 CG1 VAL A 52 2.581 1.798 4.159 1.00 0.00 C ATOM 874 CG2 VAL A 52 1.537 4.059 4.339 1.00 0.00 C ATOM 0 H VAL A 52 1.121 4.279 6.932 1.00 0.00 H new ATOM 0 HA VAL A 52 0.194 2.018 5.499 1.00 0.00 H new ATOM 0 HB VAL A 52 2.982 3.238 5.711 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.337 2.201 3.485 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.002 0.964 4.720 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.727 1.450 3.578 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.293 4.462 3.665 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.682 3.711 3.759 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.214 4.839 5.029 1.00 0.00 H new ATOM 884 N ARG A 53 2.666 1.320 7.599 1.00 0.00 N ATOM 885 CA ARG A 53 3.262 0.185 8.356 1.00 0.00 C ATOM 886 C ARG A 53 2.186 -0.465 9.225 1.00 0.00 C ATOM 887 O ARG A 53 2.058 -1.672 9.276 1.00 0.00 O ATOM 888 CB ARG A 53 4.392 0.704 9.248 1.00 0.00 C ATOM 889 CG ARG A 53 5.455 1.381 8.383 1.00 0.00 C ATOM 890 CD ARG A 53 6.658 0.449 8.230 1.00 0.00 C ATOM 891 NE ARG A 53 7.751 1.163 7.514 1.00 0.00 N ATOM 892 CZ ARG A 53 8.816 0.510 7.135 1.00 0.00 C ATOM 893 NH1 ARG A 53 8.702 -0.691 6.637 1.00 0.00 N ATOM 894 NH2 ARG A 53 9.994 1.059 7.254 1.00 0.00 N ATOM 0 H ARG A 53 3.120 2.222 7.741 1.00 0.00 H new ATOM 0 HA ARG A 53 3.660 -0.550 7.657 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.998 1.411 9.978 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.835 -0.119 9.809 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.042 1.623 7.404 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.766 2.321 8.839 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.004 0.121 9.210 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.371 -0.446 7.678 1.00 0.00 H new ATOM 0 HE ARG A 53 7.668 2.161 7.320 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.781 -1.119 6.544 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.534 -1.201 6.341 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.082 1.998 7.643 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.826 0.549 6.958 1.00 0.00 H new ATOM 908 N HIS A 54 1.407 0.329 9.908 1.00 0.00 N ATOM 909 CA HIS A 54 0.336 -0.240 10.772 1.00 0.00 C ATOM 910 C HIS A 54 -0.621 -1.067 9.913 1.00 0.00 C ATOM 911 O HIS A 54 -0.796 -2.251 10.123 1.00 0.00 O ATOM 912 CB HIS A 54 -0.435 0.899 11.444 1.00 0.00 C ATOM 913 CG HIS A 54 -1.560 0.329 12.262 1.00 0.00 C ATOM 914 ND1 HIS A 54 -1.363 -0.171 13.539 1.00 0.00 N ATOM 915 CD2 HIS A 54 -2.898 0.176 12.001 1.00 0.00 C ATOM 916 CE1 HIS A 54 -2.554 -0.597 13.996 1.00 0.00 C ATOM 917 NE2 HIS A 54 -3.525 -0.409 13.097 1.00 0.00 N ATOM 0 H HIS A 54 1.467 1.347 9.904 1.00 0.00 H new ATOM 0 HA HIS A 54 0.782 -0.876 11.536 1.00 0.00 H new ATOM 0 HB2 HIS A 54 0.234 1.479 12.080 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -0.829 1.580 10.690 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -3.390 0.466 11.084 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -2.707 -1.037 14.970 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -4.513 -0.644 13.193 1.00 0.00 H new ATOM 925 N ASN A 55 -1.242 -0.452 8.943 1.00 0.00 N ATOM 926 CA ASN A 55 -2.187 -1.200 8.068 1.00 0.00 C ATOM 927 C ASN A 55 -1.463 -2.392 7.436 1.00 0.00 C ATOM 928 O ASN A 55 -2.019 -3.461 7.285 1.00 0.00 O ATOM 929 CB ASN A 55 -2.698 -0.273 6.963 1.00 0.00 C ATOM 930 CG ASN A 55 -4.016 0.369 7.400 1.00 0.00 C ATOM 931 OD1 ASN A 55 -4.592 -0.019 8.397 1.00 0.00 O ATOM 932 ND2 ASN A 55 -4.522 1.338 6.688 1.00 0.00 N ATOM 0 H ASN A 55 -1.135 0.537 8.719 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.027 -1.558 8.663 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.958 0.499 6.751 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.844 -0.836 6.041 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.402 1.771 6.968 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.037 1.663 5.851 1.00 0.00 H new ATOM 939 N LEU A 56 -0.226 -2.212 7.059 1.00 0.00 N ATOM 940 CA LEU A 56 0.536 -3.328 6.427 1.00 0.00 C ATOM 941 C LEU A 56 0.612 -4.524 7.382 1.00 0.00 C ATOM 942 O LEU A 56 0.280 -5.637 7.025 1.00 0.00 O ATOM 943 CB LEU A 56 1.954 -2.852 6.105 1.00 0.00 C ATOM 944 CG LEU A 56 2.101 -2.666 4.593 1.00 0.00 C ATOM 945 CD1 LEU A 56 2.140 -4.035 3.913 1.00 0.00 C ATOM 946 CD2 LEU A 56 0.913 -1.865 4.058 1.00 0.00 C ATOM 0 H LEU A 56 0.291 -1.339 7.161 1.00 0.00 H new ATOM 0 HA LEU A 56 0.027 -3.633 5.513 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.159 -1.913 6.619 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.683 -3.578 6.465 1.00 0.00 H new ATOM 0 HG LEU A 56 3.025 -2.128 4.382 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.245 -3.903 2.836 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.987 -4.606 4.293 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.216 -4.573 4.125 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.019 -1.733 2.981 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.012 -2.401 4.269 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.885 -0.889 4.542 1.00 0.00 H new ATOM 958 N SER A 57 1.062 -4.306 8.588 1.00 0.00 N ATOM 959 CA SER A 57 1.175 -5.433 9.559 1.00 0.00 C ATOM 960 C SER A 57 -0.213 -5.981 9.900 1.00 0.00 C ATOM 961 O SER A 57 -0.416 -7.177 9.971 1.00 0.00 O ATOM 962 CB SER A 57 1.853 -4.933 10.835 1.00 0.00 C ATOM 963 OG SER A 57 3.253 -4.827 10.612 1.00 0.00 O ATOM 0 H SER A 57 1.356 -3.396 8.943 1.00 0.00 H new ATOM 0 HA SER A 57 1.768 -6.230 9.112 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.444 -3.964 11.122 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.655 -5.619 11.659 1.00 0.00 H new ATOM 0 HG SER A 57 3.691 -4.505 11.428 1.00 0.00 H new ATOM 969 N LEU A 58 -1.168 -5.122 10.121 1.00 0.00 N ATOM 970 CA LEU A 58 -2.537 -5.603 10.466 1.00 0.00 C ATOM 971 C LEU A 58 -3.208 -6.196 9.225 1.00 0.00 C ATOM 972 O LEU A 58 -4.029 -7.087 9.318 1.00 0.00 O ATOM 973 CB LEU A 58 -3.371 -4.431 10.986 1.00 0.00 C ATOM 974 CG LEU A 58 -4.425 -4.949 11.964 1.00 0.00 C ATOM 975 CD1 LEU A 58 -3.999 -4.623 13.396 1.00 0.00 C ATOM 976 CD2 LEU A 58 -5.769 -4.280 11.666 1.00 0.00 C ATOM 0 H LEU A 58 -1.061 -4.108 10.078 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.465 -6.371 11.236 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.727 -3.704 11.481 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.853 -3.917 10.155 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.523 -6.029 11.853 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.751 -4.993 14.093 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.042 -5.100 13.608 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.899 -3.543 13.509 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.521 -4.649 12.363 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.670 -3.200 11.776 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.074 -4.514 10.646 1.00 0.00 H new ATOM 988 N HIS A 59 -2.863 -5.713 8.063 1.00 0.00 N ATOM 989 CA HIS A 59 -3.479 -6.252 6.819 1.00 0.00 C ATOM 990 C HIS A 59 -2.850 -7.606 6.488 1.00 0.00 C ATOM 991 O HIS A 59 -1.715 -7.687 6.061 1.00 0.00 O ATOM 992 CB HIS A 59 -3.233 -5.277 5.666 1.00 0.00 C ATOM 993 CG HIS A 59 -4.078 -4.048 5.859 1.00 0.00 C ATOM 994 ND1 HIS A 59 -4.998 -3.941 6.889 1.00 0.00 N ATOM 995 CD2 HIS A 59 -4.153 -2.866 5.164 1.00 0.00 C ATOM 996 CE1 HIS A 59 -5.582 -2.733 6.788 1.00 0.00 C ATOM 997 NE2 HIS A 59 -5.103 -2.037 5.753 1.00 0.00 N ATOM 0 H HIS A 59 -2.181 -4.968 7.922 1.00 0.00 H new ATOM 0 HA HIS A 59 -4.552 -6.376 6.966 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -2.179 -5.004 5.626 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -3.476 -5.752 4.716 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -3.564 -2.618 4.293 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -6.345 -2.370 7.461 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -5.375 -1.099 5.458 1.00 0.00 H new ATOM 1005 N LYS A 60 -3.575 -8.673 6.689 1.00 0.00 N ATOM 1006 CA LYS A 60 -3.014 -10.021 6.393 1.00 0.00 C ATOM 1007 C LYS A 60 -3.065 -10.289 4.887 1.00 0.00 C ATOM 1008 O LYS A 60 -2.398 -11.171 4.383 1.00 0.00 O ATOM 1009 CB LYS A 60 -3.830 -11.084 7.129 1.00 0.00 C ATOM 1010 CG LYS A 60 -2.913 -11.876 8.062 1.00 0.00 C ATOM 1011 CD LYS A 60 -3.752 -12.824 8.921 1.00 0.00 C ATOM 1012 CE LYS A 60 -3.229 -12.807 10.358 1.00 0.00 C ATOM 1013 NZ LYS A 60 -1.970 -13.601 10.436 1.00 0.00 N ATOM 0 H LYS A 60 -4.531 -8.669 7.045 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.977 -10.059 6.727 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.629 -10.613 7.701 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.304 -11.755 6.412 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.187 -12.443 7.480 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.349 -11.195 8.699 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.799 -12.521 8.900 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.705 -13.835 8.517 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -3.045 -11.781 10.678 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -3.977 -13.223 11.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.613 -13.590 11.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.160 -14.582 10.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.258 -13.185 9.802 1.00 0.00 H new ATOM 1027 N TYR A 61 -3.848 -9.538 4.160 1.00 0.00 N ATOM 1028 CA TYR A 61 -3.925 -9.764 2.690 1.00 0.00 C ATOM 1029 C TYR A 61 -2.629 -9.279 2.036 1.00 0.00 C ATOM 1030 O TYR A 61 -2.333 -9.606 0.903 1.00 0.00 O ATOM 1031 CB TYR A 61 -5.128 -9.015 2.110 1.00 0.00 C ATOM 1032 CG TYR A 61 -4.915 -7.525 2.220 1.00 0.00 C ATOM 1033 CD1 TYR A 61 -4.086 -6.868 1.306 1.00 0.00 C ATOM 1034 CD2 TYR A 61 -5.559 -6.799 3.230 1.00 0.00 C ATOM 1035 CE1 TYR A 61 -3.898 -5.484 1.402 1.00 0.00 C ATOM 1036 CE2 TYR A 61 -5.372 -5.415 3.325 1.00 0.00 C ATOM 1037 CZ TYR A 61 -4.541 -4.757 2.411 1.00 0.00 C ATOM 1038 OH TYR A 61 -4.356 -3.392 2.504 1.00 0.00 O ATOM 0 H TYR A 61 -4.433 -8.783 4.518 1.00 0.00 H new ATOM 0 HA TYR A 61 -4.050 -10.828 2.489 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.270 -9.293 1.066 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.035 -9.301 2.643 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -3.591 -7.428 0.526 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.200 -7.307 3.935 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -3.256 -4.977 0.697 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.869 -4.855 4.103 1.00 0.00 H new ATOM 0 HH TYR A 61 -3.607 -3.124 1.931 1.00 0.00 H new ATOM 1048 N PHE A 62 -1.844 -8.518 2.750 1.00 0.00 N ATOM 1049 CA PHE A 62 -0.555 -8.031 2.183 1.00 0.00 C ATOM 1050 C PHE A 62 0.505 -9.118 2.387 1.00 0.00 C ATOM 1051 O PHE A 62 0.772 -9.527 3.499 1.00 0.00 O ATOM 1052 CB PHE A 62 -0.124 -6.756 2.913 1.00 0.00 C ATOM 1053 CG PHE A 62 -0.666 -5.543 2.192 1.00 0.00 C ATOM 1054 CD1 PHE A 62 -0.547 -5.440 0.800 1.00 0.00 C ATOM 1055 CD2 PHE A 62 -1.285 -4.519 2.918 1.00 0.00 C ATOM 1056 CE1 PHE A 62 -1.048 -4.313 0.136 1.00 0.00 C ATOM 1057 CE2 PHE A 62 -1.785 -3.392 2.254 1.00 0.00 C ATOM 1058 CZ PHE A 62 -1.667 -3.289 0.863 1.00 0.00 C ATOM 0 H PHE A 62 -2.041 -8.212 3.703 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.671 -7.813 1.121 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.489 -6.773 3.940 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.964 -6.705 2.963 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.069 -6.229 0.239 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.377 -4.598 3.991 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.957 -4.234 -0.937 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.262 -2.602 2.815 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.053 -2.420 0.351 1.00 0.00 H new ATOM 1068 N VAL A 63 1.102 -9.601 1.331 1.00 0.00 N ATOM 1069 CA VAL A 63 2.128 -10.671 1.494 1.00 0.00 C ATOM 1070 C VAL A 63 3.488 -10.174 1.000 1.00 0.00 C ATOM 1071 O VAL A 63 3.578 -9.270 0.194 1.00 0.00 O ATOM 1072 CB VAL A 63 1.709 -11.902 0.689 1.00 0.00 C ATOM 1073 CG1 VAL A 63 2.807 -12.963 0.770 1.00 0.00 C ATOM 1074 CG2 VAL A 63 0.411 -12.467 1.269 1.00 0.00 C ATOM 0 H VAL A 63 0.926 -9.305 0.371 1.00 0.00 H new ATOM 0 HA VAL A 63 2.208 -10.932 2.549 1.00 0.00 H new ATOM 0 HB VAL A 63 1.553 -11.621 -0.353 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.508 -13.840 0.196 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.733 -12.560 0.361 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.963 -13.246 1.811 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.109 -13.345 0.698 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.570 -12.749 2.310 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.372 -11.711 1.213 1.00 0.00 H new ATOM 1084 N ARG A 64 4.547 -10.763 1.482 1.00 0.00 N ATOM 1085 CA ARG A 64 5.907 -10.335 1.050 1.00 0.00 C ATOM 1086 C ARG A 64 6.612 -11.504 0.359 1.00 0.00 C ATOM 1087 O ARG A 64 7.090 -12.419 1.001 1.00 0.00 O ATOM 1088 CB ARG A 64 6.715 -9.908 2.277 1.00 0.00 C ATOM 1089 CG ARG A 64 7.470 -8.615 1.971 1.00 0.00 C ATOM 1090 CD ARG A 64 8.284 -8.204 3.199 1.00 0.00 C ATOM 1091 NE ARG A 64 9.064 -6.973 2.892 1.00 0.00 N ATOM 1092 CZ ARG A 64 9.764 -6.395 3.830 1.00 0.00 C ATOM 1093 NH1 ARG A 64 9.484 -6.621 5.084 1.00 0.00 N ATOM 1094 NH2 ARG A 64 10.743 -5.592 3.514 1.00 0.00 N ATOM 0 H ARG A 64 4.529 -11.525 2.159 1.00 0.00 H new ATOM 0 HA ARG A 64 5.825 -9.498 0.356 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.051 -9.760 3.128 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.418 -10.694 2.554 1.00 0.00 H new ATOM 0 HG2 ARG A 64 8.129 -8.759 1.115 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.768 -7.825 1.704 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.620 -8.025 4.045 1.00 0.00 H new ATOM 0 HD3 ARG A 64 8.957 -9.011 3.488 1.00 0.00 H new ATOM 0 HE ARG A 64 9.051 -6.582 1.950 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.719 -7.249 5.331 1.00 0.00 H new ATOM 0 HH12 ARG A 64 10.030 -6.170 5.818 1.00 0.00 H new ATOM 0 HH21 ARG A 64 10.962 -5.416 2.533 1.00 0.00 H new ATOM 0 HH22 ARG A 64 11.289 -5.141 4.248 1.00 0.00 H new ATOM 1108 N VAL A 65 6.679 -11.485 -0.944 1.00 0.00 N ATOM 1109 CA VAL A 65 7.349 -12.594 -1.671 1.00 0.00 C ATOM 1110 C VAL A 65 8.862 -12.361 -1.685 1.00 0.00 C ATOM 1111 O VAL A 65 9.374 -11.594 -2.475 1.00 0.00 O ATOM 1112 CB VAL A 65 6.829 -12.651 -3.109 1.00 0.00 C ATOM 1113 CG1 VAL A 65 7.618 -13.699 -3.896 1.00 0.00 C ATOM 1114 CG2 VAL A 65 5.346 -13.031 -3.101 1.00 0.00 C ATOM 0 H VAL A 65 6.297 -10.747 -1.535 1.00 0.00 H new ATOM 0 HA VAL A 65 7.133 -13.537 -1.168 1.00 0.00 H new ATOM 0 HB VAL A 65 6.952 -11.675 -3.578 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.248 -13.740 -4.920 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.674 -13.430 -3.902 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.495 -14.675 -3.427 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.975 -13.072 -4.125 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.223 -14.007 -2.632 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.782 -12.285 -2.540 1.00 0.00 H new ATOM 1124 N GLU A 66 9.581 -13.021 -0.819 1.00 0.00 N ATOM 1125 CA GLU A 66 11.059 -12.840 -0.785 1.00 0.00 C ATOM 1126 C GLU A 66 11.647 -13.202 -2.150 1.00 0.00 C ATOM 1127 O GLU A 66 11.390 -14.261 -2.685 1.00 0.00 O ATOM 1128 CB GLU A 66 11.656 -13.753 0.288 1.00 0.00 C ATOM 1129 CG GLU A 66 12.971 -13.156 0.795 1.00 0.00 C ATOM 1130 CD GLU A 66 14.145 -13.975 0.256 1.00 0.00 C ATOM 1131 OE1 GLU A 66 13.955 -14.666 -0.732 1.00 0.00 O ATOM 1132 OE2 GLU A 66 15.214 -13.897 0.838 1.00 0.00 O ATOM 0 H GLU A 66 9.208 -13.678 -0.133 1.00 0.00 H new ATOM 0 HA GLU A 66 11.296 -11.802 -0.552 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.954 -13.868 1.114 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.831 -14.748 -0.122 1.00 0.00 H new ATOM 0 HG2 GLU A 66 13.060 -12.118 0.473 1.00 0.00 H new ATOM 0 HG3 GLU A 66 12.985 -13.154 1.885 1.00 0.00 H new ATOM 1139 N ASN A 67 12.437 -12.331 -2.719 1.00 0.00 N ATOM 1140 CA ASN A 67 13.037 -12.628 -4.044 1.00 0.00 C ATOM 1141 C ASN A 67 14.548 -12.405 -3.987 1.00 0.00 C ATOM 1142 O ASN A 67 15.043 -11.632 -3.191 1.00 0.00 O ATOM 1143 CB ASN A 67 12.426 -11.710 -5.105 1.00 0.00 C ATOM 1144 CG ASN A 67 12.177 -12.508 -6.385 1.00 0.00 C ATOM 1145 OD1 ASN A 67 11.836 -13.672 -6.333 1.00 0.00 O ATOM 1146 ND2 ASN A 67 12.336 -11.926 -7.543 1.00 0.00 N ATOM 0 H ASN A 67 12.691 -11.427 -2.320 1.00 0.00 H new ATOM 0 HA ASN A 67 12.834 -13.667 -4.304 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.490 -11.286 -4.740 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.096 -10.875 -5.309 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.174 -12.449 -8.403 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.622 -10.948 -7.587 1.00 0.00 H new ATOM 1153 N VAL A 68 15.286 -13.074 -4.830 1.00 0.00 N ATOM 1154 CA VAL A 68 16.763 -12.898 -4.828 1.00 0.00 C ATOM 1155 C VAL A 68 17.100 -11.422 -5.050 1.00 0.00 C ATOM 1156 O VAL A 68 18.051 -10.904 -4.500 1.00 0.00 O ATOM 1157 CB VAL A 68 17.379 -13.736 -5.951 1.00 0.00 C ATOM 1158 CG1 VAL A 68 18.901 -13.591 -5.918 1.00 0.00 C ATOM 1159 CG2 VAL A 68 17.002 -15.207 -5.755 1.00 0.00 C ATOM 0 H VAL A 68 14.928 -13.735 -5.520 1.00 0.00 H new ATOM 0 HA VAL A 68 17.166 -13.224 -3.869 1.00 0.00 H new ATOM 0 HB VAL A 68 17.002 -13.389 -6.913 1.00 0.00 H new ATOM 0 HG11 VAL A 68 19.341 -14.187 -6.717 1.00 0.00 H new ATOM 0 HG12 VAL A 68 19.170 -12.544 -6.057 1.00 0.00 H new ATOM 0 HG13 VAL A 68 19.279 -13.938 -4.956 1.00 0.00 H new ATOM 0 HG21 VAL A 68 17.440 -15.805 -6.554 1.00 0.00 H new ATOM 0 HG22 VAL A 68 17.380 -15.554 -4.793 1.00 0.00 H new ATOM 0 HG23 VAL A 68 15.917 -15.311 -5.778 1.00 0.00 H new ATOM 1169 N LYS A 69 16.331 -10.741 -5.856 1.00 0.00 N ATOM 1170 CA LYS A 69 16.609 -9.305 -6.115 1.00 0.00 C ATOM 1171 C LYS A 69 15.935 -8.447 -5.041 1.00 0.00 C ATOM 1172 O LYS A 69 15.939 -7.234 -5.110 1.00 0.00 O ATOM 1173 CB LYS A 69 16.069 -8.918 -7.494 1.00 0.00 C ATOM 1174 CG LYS A 69 14.582 -9.270 -7.579 1.00 0.00 C ATOM 1175 CD LYS A 69 13.815 -8.098 -8.194 1.00 0.00 C ATOM 1176 CE LYS A 69 12.383 -8.087 -7.656 1.00 0.00 C ATOM 1177 NZ LYS A 69 11.427 -7.907 -8.784 1.00 0.00 N ATOM 0 H LYS A 69 15.521 -11.121 -6.346 1.00 0.00 H new ATOM 0 HA LYS A 69 17.686 -9.136 -6.088 1.00 0.00 H new ATOM 0 HB2 LYS A 69 16.211 -7.851 -7.665 1.00 0.00 H new ATOM 0 HB3 LYS A 69 16.623 -9.442 -8.273 1.00 0.00 H new ATOM 0 HG2 LYS A 69 14.443 -10.166 -8.183 1.00 0.00 H new ATOM 0 HG3 LYS A 69 14.193 -9.492 -6.585 1.00 0.00 H new ATOM 0 HD2 LYS A 69 14.312 -7.158 -7.954 1.00 0.00 H new ATOM 0 HD3 LYS A 69 13.806 -8.185 -9.280 1.00 0.00 H new ATOM 0 HE2 LYS A 69 12.173 -9.020 -7.133 1.00 0.00 H new ATOM 0 HE3 LYS A 69 12.262 -7.282 -6.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 10.454 -7.900 -8.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 11.623 -7.005 -9.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.536 -8.690 -9.460 1.00 0.00 H new ATOM 1191 N GLY A 70 15.358 -9.066 -4.047 1.00 0.00 N ATOM 1192 CA GLY A 70 14.690 -8.289 -2.973 1.00 0.00 C ATOM 1193 C GLY A 70 13.219 -8.705 -2.876 1.00 0.00 C ATOM 1194 O GLY A 70 12.541 -8.863 -3.871 1.00 0.00 O ATOM 0 H GLY A 70 15.322 -10.079 -3.935 1.00 0.00 H new ATOM 0 HA2 GLY A 70 15.191 -8.462 -2.020 1.00 0.00 H new ATOM 0 HA3 GLY A 70 14.763 -7.222 -3.183 1.00 0.00 H new ATOM 1198 N ALA A 71 12.720 -8.884 -1.682 1.00 0.00 N ATOM 1199 CA ALA A 71 11.297 -9.288 -1.520 1.00 0.00 C ATOM 1200 C ALA A 71 10.389 -8.218 -2.132 1.00 0.00 C ATOM 1201 O ALA A 71 10.825 -7.131 -2.453 1.00 0.00 O ATOM 1202 CB ALA A 71 10.977 -9.436 -0.030 1.00 0.00 C ATOM 0 H ALA A 71 13.239 -8.767 -0.812 1.00 0.00 H new ATOM 0 HA ALA A 71 11.129 -10.239 -2.026 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.935 -9.732 0.091 1.00 0.00 H new ATOM 0 HB2 ALA A 71 11.623 -10.197 0.407 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.145 -8.484 0.474 1.00 0.00 H new ATOM 1208 N VAL A 72 9.129 -8.518 -2.296 1.00 0.00 N ATOM 1209 CA VAL A 72 8.198 -7.515 -2.887 1.00 0.00 C ATOM 1210 C VAL A 72 6.888 -7.500 -2.102 1.00 0.00 C ATOM 1211 O VAL A 72 6.463 -8.503 -1.563 1.00 0.00 O ATOM 1212 CB VAL A 72 7.903 -7.883 -4.341 1.00 0.00 C ATOM 1213 CG1 VAL A 72 9.092 -7.493 -5.221 1.00 0.00 C ATOM 1214 CG2 VAL A 72 7.666 -9.392 -4.444 1.00 0.00 C ATOM 0 H VAL A 72 8.705 -9.412 -2.047 1.00 0.00 H new ATOM 0 HA VAL A 72 8.663 -6.530 -2.843 1.00 0.00 H new ATOM 0 HB VAL A 72 7.014 -7.349 -4.677 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.880 -7.756 -6.257 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.263 -6.419 -5.147 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.982 -8.026 -4.887 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.455 -9.657 -5.480 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.556 -9.924 -4.107 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.818 -9.671 -3.818 1.00 0.00 H new ATOM 1224 N TRP A 73 6.240 -6.369 -2.031 1.00 0.00 N ATOM 1225 CA TRP A 73 4.959 -6.298 -1.282 1.00 0.00 C ATOM 1226 C TRP A 73 3.792 -6.630 -2.214 1.00 0.00 C ATOM 1227 O TRP A 73 3.566 -5.960 -3.201 1.00 0.00 O ATOM 1228 CB TRP A 73 4.772 -4.899 -0.685 1.00 0.00 C ATOM 1229 CG TRP A 73 5.537 -4.804 0.596 1.00 0.00 C ATOM 1230 CD1 TRP A 73 6.563 -3.953 0.828 1.00 0.00 C ATOM 1231 CD2 TRP A 73 5.357 -5.572 1.822 1.00 0.00 C ATOM 1232 NE1 TRP A 73 7.024 -4.151 2.117 1.00 0.00 N ATOM 1233 CE2 TRP A 73 6.313 -5.138 2.770 1.00 0.00 C ATOM 1234 CE3 TRP A 73 4.465 -6.594 2.198 1.00 0.00 C ATOM 1235 CZ2 TRP A 73 6.382 -5.696 4.048 1.00 0.00 C ATOM 1236 CZ3 TRP A 73 4.533 -7.159 3.482 1.00 0.00 C ATOM 1237 CH2 TRP A 73 5.490 -6.711 4.405 1.00 0.00 C ATOM 0 H TRP A 73 6.544 -5.494 -2.459 1.00 0.00 H new ATOM 0 HA TRP A 73 4.984 -7.025 -0.470 1.00 0.00 H new ATOM 0 HB2 TRP A 73 5.120 -4.142 -1.387 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.714 -4.706 -0.506 1.00 0.00 H new ATOM 0 HD1 TRP A 73 6.957 -3.237 0.122 1.00 0.00 H new ATOM 0 HE1 TRP A 73 7.796 -3.631 2.534 1.00 0.00 H new ATOM 0 HE3 TRP A 73 3.724 -6.946 1.495 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 7.119 -5.346 4.755 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 3.844 -7.943 3.761 1.00 0.00 H new ATOM 0 HH2 TRP A 73 5.537 -7.150 5.391 1.00 0.00 H new ATOM 1248 N THR A 74 3.053 -7.668 -1.920 1.00 0.00 N ATOM 1249 CA THR A 74 1.924 -8.043 -2.803 1.00 0.00 C ATOM 1250 C THR A 74 0.605 -8.062 -2.026 1.00 0.00 C ATOM 1251 O THR A 74 0.577 -7.947 -0.816 1.00 0.00 O ATOM 1252 CB THR A 74 2.189 -9.431 -3.382 1.00 0.00 C ATOM 1253 OG1 THR A 74 0.967 -10.000 -3.831 1.00 0.00 O ATOM 1254 CG2 THR A 74 2.809 -10.326 -2.306 1.00 0.00 C ATOM 0 H THR A 74 3.187 -8.268 -1.106 1.00 0.00 H new ATOM 0 HA THR A 74 1.842 -7.306 -3.602 1.00 0.00 H new ATOM 0 HB THR A 74 2.878 -9.347 -4.222 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.066 -10.972 -3.902 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.998 -11.316 -2.721 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.749 -9.890 -1.967 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.123 -10.410 -1.463 1.00 0.00 H new ATOM 1262 N VAL A 75 -0.488 -8.213 -2.726 1.00 0.00 N ATOM 1263 CA VAL A 75 -1.817 -8.250 -2.056 1.00 0.00 C ATOM 1264 C VAL A 75 -2.463 -9.618 -2.298 1.00 0.00 C ATOM 1265 O VAL A 75 -2.260 -10.236 -3.324 1.00 0.00 O ATOM 1266 CB VAL A 75 -2.707 -7.149 -2.641 1.00 0.00 C ATOM 1267 CG1 VAL A 75 -4.106 -7.234 -2.027 1.00 0.00 C ATOM 1268 CG2 VAL A 75 -2.097 -5.782 -2.328 1.00 0.00 C ATOM 0 H VAL A 75 -0.515 -8.313 -3.741 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.698 -8.088 -0.985 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.779 -7.280 -3.721 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.736 -6.449 -2.446 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.543 -8.207 -2.250 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.038 -7.106 -0.947 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.729 -4.998 -2.744 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.024 -5.655 -1.248 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -1.102 -5.718 -2.769 1.00 0.00 H new ATOM 1278 N ASP A 76 -3.237 -10.095 -1.363 1.00 0.00 N ATOM 1279 CA ASP A 76 -3.891 -11.422 -1.543 1.00 0.00 C ATOM 1280 C ASP A 76 -5.397 -11.230 -1.719 1.00 0.00 C ATOM 1281 O ASP A 76 -6.142 -11.187 -0.761 1.00 0.00 O ATOM 1282 CB ASP A 76 -3.631 -12.293 -0.312 1.00 0.00 C ATOM 1283 CG ASP A 76 -3.244 -13.704 -0.756 1.00 0.00 C ATOM 1284 OD1 ASP A 76 -3.632 -14.088 -1.846 1.00 0.00 O ATOM 1285 OD2 ASP A 76 -2.566 -14.378 0.003 1.00 0.00 O ATOM 0 H ASP A 76 -3.445 -9.624 -0.483 1.00 0.00 H new ATOM 0 HA ASP A 76 -3.480 -11.910 -2.427 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.834 -11.859 0.291 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.522 -12.329 0.315 1.00 0.00 H new ATOM 1290 N GLU A 77 -5.855 -11.115 -2.935 1.00 0.00 N ATOM 1291 CA GLU A 77 -7.315 -10.930 -3.159 1.00 0.00 C ATOM 1292 C GLU A 77 -8.076 -12.024 -2.412 1.00 0.00 C ATOM 1293 O GLU A 77 -9.160 -11.807 -1.909 1.00 0.00 O ATOM 1294 CB GLU A 77 -7.619 -11.020 -4.656 1.00 0.00 C ATOM 1295 CG GLU A 77 -7.157 -12.379 -5.191 1.00 0.00 C ATOM 1296 CD GLU A 77 -8.334 -13.356 -5.193 1.00 0.00 C ATOM 1297 OE1 GLU A 77 -9.303 -13.089 -4.503 1.00 0.00 O ATOM 1298 OE2 GLU A 77 -8.244 -14.357 -5.885 1.00 0.00 O ATOM 0 H GLU A 77 -5.284 -11.141 -3.780 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.624 -9.952 -2.790 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.688 -10.894 -4.829 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.112 -10.216 -5.190 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.761 -12.268 -6.201 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.348 -12.769 -4.573 1.00 0.00 H new ATOM 1305 N VAL A 78 -7.513 -13.196 -2.329 1.00 0.00 N ATOM 1306 CA VAL A 78 -8.195 -14.301 -1.608 1.00 0.00 C ATOM 1307 C VAL A 78 -8.287 -13.945 -0.124 1.00 0.00 C ATOM 1308 O VAL A 78 -9.358 -13.876 0.446 1.00 0.00 O ATOM 1309 CB VAL A 78 -7.393 -15.592 -1.774 1.00 0.00 C ATOM 1310 CG1 VAL A 78 -7.987 -16.681 -0.880 1.00 0.00 C ATOM 1311 CG2 VAL A 78 -7.450 -16.043 -3.234 1.00 0.00 C ATOM 0 H VAL A 78 -6.607 -13.435 -2.731 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.196 -14.444 -2.016 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.356 -15.414 -1.489 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.415 -17.601 -0.999 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.946 -16.360 0.161 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.024 -16.859 -1.164 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.878 -16.963 -3.353 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.487 -16.220 -3.520 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.025 -15.267 -3.871 1.00 0.00 H new ATOM 1321 N GLU A 79 -7.166 -13.713 0.503 1.00 0.00 N ATOM 1322 CA GLU A 79 -7.179 -13.357 1.945 1.00 0.00 C ATOM 1323 C GLU A 79 -7.836 -11.987 2.120 1.00 0.00 C ATOM 1324 O GLU A 79 -8.601 -11.765 3.037 1.00 0.00 O ATOM 1325 CB GLU A 79 -5.743 -13.302 2.471 1.00 0.00 C ATOM 1326 CG GLU A 79 -5.650 -14.076 3.789 1.00 0.00 C ATOM 1327 CD GLU A 79 -4.754 -15.302 3.600 1.00 0.00 C ATOM 1328 OE1 GLU A 79 -4.605 -15.733 2.469 1.00 0.00 O ATOM 1329 OE2 GLU A 79 -4.233 -15.789 4.590 1.00 0.00 O ATOM 0 H GLU A 79 -6.241 -13.755 0.075 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.740 -14.108 2.501 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.059 -13.729 1.737 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.440 -12.266 2.623 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.246 -13.434 4.572 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.644 -14.385 4.112 1.00 0.00 H new ATOM 1336 N PHE A 80 -7.546 -11.065 1.241 1.00 0.00 N ATOM 1337 CA PHE A 80 -8.154 -9.714 1.353 1.00 0.00 C ATOM 1338 C PHE A 80 -9.679 -9.843 1.333 1.00 0.00 C ATOM 1339 O PHE A 80 -10.364 -9.361 2.213 1.00 0.00 O ATOM 1340 CB PHE A 80 -7.692 -8.848 0.178 1.00 0.00 C ATOM 1341 CG PHE A 80 -7.639 -7.402 0.606 1.00 0.00 C ATOM 1342 CD1 PHE A 80 -8.560 -6.911 1.539 1.00 0.00 C ATOM 1343 CD2 PHE A 80 -6.667 -6.552 0.069 1.00 0.00 C ATOM 1344 CE1 PHE A 80 -8.507 -5.570 1.934 1.00 0.00 C ATOM 1345 CE2 PHE A 80 -6.613 -5.210 0.465 1.00 0.00 C ATOM 1346 CZ PHE A 80 -7.534 -4.719 1.397 1.00 0.00 C ATOM 0 H PHE A 80 -6.914 -11.192 0.451 1.00 0.00 H new ATOM 0 HA PHE A 80 -7.843 -9.247 2.287 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.709 -9.173 -0.162 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -8.375 -8.964 -0.663 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -9.311 -7.567 1.954 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -5.957 -6.931 -0.652 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -9.217 -5.191 2.654 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -5.861 -4.554 0.051 1.00 0.00 H new ATOM 0 HZ PHE A 80 -7.494 -3.684 1.702 1.00 0.00 H new ATOM 1356 N GLN A 81 -10.217 -10.498 0.341 1.00 0.00 N ATOM 1357 CA GLN A 81 -11.695 -10.662 0.279 1.00 0.00 C ATOM 1358 C GLN A 81 -12.209 -11.079 1.658 1.00 0.00 C ATOM 1359 O GLN A 81 -13.277 -10.685 2.080 1.00 0.00 O ATOM 1360 CB GLN A 81 -12.048 -11.742 -0.747 1.00 0.00 C ATOM 1361 CG GLN A 81 -13.207 -11.261 -1.624 1.00 0.00 C ATOM 1362 CD GLN A 81 -12.700 -10.211 -2.614 1.00 0.00 C ATOM 1363 OE1 GLN A 81 -12.624 -9.042 -2.292 1.00 0.00 O ATOM 1364 NE2 GLN A 81 -12.349 -10.580 -3.816 1.00 0.00 N ATOM 0 H GLN A 81 -9.698 -10.925 -0.426 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.158 -9.721 -0.017 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -11.180 -11.967 -1.366 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -12.324 -12.665 -0.237 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -13.643 -12.103 -2.162 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -13.996 -10.838 -1.002 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -12.412 -11.561 -4.087 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -12.011 -9.887 -4.484 1.00 0.00 H new ATOM 1373 N LYS A 82 -11.449 -11.871 2.365 1.00 0.00 N ATOM 1374 CA LYS A 82 -11.884 -12.311 3.719 1.00 0.00 C ATOM 1375 C LYS A 82 -12.106 -11.082 4.602 1.00 0.00 C ATOM 1376 O LYS A 82 -13.209 -10.803 5.028 1.00 0.00 O ATOM 1377 CB LYS A 82 -10.800 -13.195 4.339 1.00 0.00 C ATOM 1378 CG LYS A 82 -11.415 -14.068 5.435 1.00 0.00 C ATOM 1379 CD LYS A 82 -10.330 -14.466 6.438 1.00 0.00 C ATOM 1380 CE LYS A 82 -10.981 -14.851 7.768 1.00 0.00 C ATOM 1381 NZ LYS A 82 -12.001 -15.911 7.532 1.00 0.00 N ATOM 0 H LYS A 82 -10.545 -12.232 2.062 1.00 0.00 H new ATOM 0 HA LYS A 82 -12.812 -12.877 3.640 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.346 -13.822 3.572 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -10.006 -12.576 4.756 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.213 -13.526 5.942 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -11.864 -14.959 4.996 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -9.750 -15.303 6.049 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -9.636 -13.639 6.587 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -10.224 -15.209 8.466 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -11.447 -13.977 8.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -12.223 -16.386 8.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -12.865 -15.481 7.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -11.628 -16.607 6.856 1.00 0.00 H new ATOM 1395 N ARG A 83 -11.065 -10.345 4.878 1.00 0.00 N ATOM 1396 CA ARG A 83 -11.213 -9.135 5.730 1.00 0.00 C ATOM 1397 C ARG A 83 -12.175 -8.152 5.056 1.00 0.00 C ATOM 1398 O ARG A 83 -12.773 -7.314 5.699 1.00 0.00 O ATOM 1399 CB ARG A 83 -9.845 -8.471 5.913 1.00 0.00 C ATOM 1400 CG ARG A 83 -9.869 -7.581 7.158 1.00 0.00 C ATOM 1401 CD ARG A 83 -9.145 -6.267 6.861 1.00 0.00 C ATOM 1402 NE ARG A 83 -8.145 -5.996 7.932 1.00 0.00 N ATOM 1403 CZ ARG A 83 -8.464 -5.244 8.948 1.00 0.00 C ATOM 1404 NH1 ARG A 83 -9.607 -5.416 9.555 1.00 0.00 N ATOM 1405 NH2 ARG A 83 -7.641 -4.320 9.362 1.00 0.00 N ATOM 0 H ARG A 83 -10.118 -10.530 4.549 1.00 0.00 H new ATOM 0 HA ARG A 83 -11.611 -9.420 6.704 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.071 -9.232 6.012 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.597 -7.877 5.033 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.898 -7.382 7.456 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -9.389 -8.092 7.993 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.649 -6.324 5.892 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -9.863 -5.449 6.804 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.210 -6.399 7.870 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -10.251 -6.139 9.234 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.856 -4.827 10.350 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -6.747 -4.185 8.891 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -7.892 -3.732 10.157 1.00 0.00 H new