USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=17 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 55 ASN :FLIP amide:sc= -2.27! C(o=-18!,f=-14!) USER MOD Set 1.2: A 59 HIS :FLIP no HD1:sc= -11.9! C(o=-17!,f=-14!) USER MOD Set 1.3: A 61 TYR OH : rot 79:sc= -0.168 USER MOD Set 2.1: A 24 GLN : amide:sc= -0.486 K(o=-1.6,f=-5.3!) USER MOD Set 2.2: A 74 THR OG1 : rot 56:sc= -1.1! USER MOD Single : A 8 THR OG1 : rot 13:sc= 0.85 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot -76:sc= 0.69 USER MOD Single : A 23 LYS NZ :NH3+ -120:sc= -0.0878 (180deg=-1.74) USER MOD Single : A 26 THR OG1 : rot -170:sc= -0.146 USER MOD Single : A 28 ASN : amide:sc= -0.32 K(o=-0.32,f=-3.1!) USER MOD Single : A 31 TYR OH : rot 130:sc= -2.6 USER MOD Single : A 32 ASN : amide:sc= -1.2 K(o=-1.2,f=-4.4!) USER MOD Single : A 35 THR OG1 : rot 74:sc= 0.427 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot -83:sc= -0.0579! USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.341 X(o=-0.34,f=-0.1) USER MOD Single : A 54 HIS : no HE2:sc= -0.9 K(o=-0.9,f=-2.3!) USER MOD Single : A 57 SER OG : rot 180:sc= -0.0297 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.318 K(o=-0.32,f=-2.5!) USER MOD Single : A 82 LYS NZ :NH3+ 173:sc= 0.195 (180deg=0.18) USER MOD ----------------------------------------------------------------- ATOM 116 N THR A 8 -9.921 4.819 2.741 1.00 0.00 N ATOM 117 CA THR A 8 -9.288 3.818 3.644 1.00 0.00 C ATOM 118 C THR A 8 -7.950 3.375 3.049 1.00 0.00 C ATOM 119 O THR A 8 -7.829 3.163 1.858 1.00 0.00 O ATOM 120 CB THR A 8 -10.210 2.606 3.793 1.00 0.00 C ATOM 121 OG1 THR A 8 -11.420 2.842 3.089 1.00 0.00 O ATOM 122 CG2 THR A 8 -10.516 2.379 5.274 1.00 0.00 C ATOM 0 HA THR A 8 -9.121 4.265 4.624 1.00 0.00 H new ATOM 0 HB THR A 8 -9.719 1.723 3.384 1.00 0.00 H new ATOM 0 HG1 THR A 8 -11.312 3.622 2.506 1.00 0.00 H new ATOM 0 HG21 THR A 8 -11.173 1.516 5.382 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.587 2.197 5.814 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.007 3.262 5.684 1.00 0.00 H new ATOM 130 N TYR A 9 -6.945 3.234 3.868 1.00 0.00 N ATOM 131 CA TYR A 9 -5.616 2.805 3.348 1.00 0.00 C ATOM 132 C TYR A 9 -5.728 1.396 2.764 1.00 0.00 C ATOM 133 O TYR A 9 -5.116 1.077 1.765 1.00 0.00 O ATOM 134 CB TYR A 9 -4.597 2.807 4.489 1.00 0.00 C ATOM 135 CG TYR A 9 -4.496 4.197 5.070 1.00 0.00 C ATOM 136 CD1 TYR A 9 -3.615 5.129 4.509 1.00 0.00 C ATOM 137 CD2 TYR A 9 -5.283 4.553 6.172 1.00 0.00 C ATOM 138 CE1 TYR A 9 -3.522 6.418 5.048 1.00 0.00 C ATOM 139 CE2 TYR A 9 -5.190 5.841 6.711 1.00 0.00 C ATOM 140 CZ TYR A 9 -4.310 6.773 6.149 1.00 0.00 C ATOM 141 OH TYR A 9 -4.218 8.044 6.682 1.00 0.00 O ATOM 0 H TYR A 9 -6.986 3.397 4.874 1.00 0.00 H new ATOM 0 HA TYR A 9 -5.290 3.495 2.570 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.898 2.099 5.261 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.623 2.483 4.122 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -3.007 4.854 3.660 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.962 3.834 6.606 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -2.843 7.137 4.615 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.797 6.116 7.561 1.00 0.00 H new ATOM 0 HH TYR A 9 -4.833 8.126 7.441 1.00 0.00 H new ATOM 151 N ALA A 10 -6.509 0.550 3.378 1.00 0.00 N ATOM 152 CA ALA A 10 -6.662 -0.836 2.855 1.00 0.00 C ATOM 153 C ALA A 10 -7.029 -0.778 1.370 1.00 0.00 C ATOM 154 O ALA A 10 -6.534 -1.543 0.568 1.00 0.00 O ATOM 155 CB ALA A 10 -7.772 -1.551 3.628 1.00 0.00 C ATOM 0 H ALA A 10 -7.047 0.759 4.219 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.726 -1.380 2.978 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.886 -2.566 3.247 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.513 -1.588 4.686 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.710 -1.009 3.503 1.00 0.00 H new ATOM 161 N SER A 11 -7.891 0.129 1.001 1.00 0.00 N ATOM 162 CA SER A 11 -8.289 0.242 -0.430 1.00 0.00 C ATOM 163 C SER A 11 -7.233 1.049 -1.187 1.00 0.00 C ATOM 164 O SER A 11 -6.848 0.708 -2.288 1.00 0.00 O ATOM 165 CB SER A 11 -9.640 0.949 -0.527 1.00 0.00 C ATOM 166 OG SER A 11 -10.133 0.843 -1.855 1.00 0.00 O ATOM 0 H SER A 11 -8.337 0.797 1.629 1.00 0.00 H new ATOM 0 HA SER A 11 -8.369 -0.753 -0.868 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.347 0.503 0.172 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.535 1.998 -0.249 1.00 0.00 H new ATOM 0 HG SER A 11 -11.000 1.295 -1.919 1.00 0.00 H new ATOM 172 N LEU A 12 -6.759 2.117 -0.603 1.00 0.00 N ATOM 173 CA LEU A 12 -5.725 2.944 -1.288 1.00 0.00 C ATOM 174 C LEU A 12 -4.440 2.126 -1.436 1.00 0.00 C ATOM 175 O LEU A 12 -3.792 2.148 -2.464 1.00 0.00 O ATOM 176 CB LEU A 12 -5.437 4.194 -0.454 1.00 0.00 C ATOM 177 CG LEU A 12 -4.770 5.252 -1.335 1.00 0.00 C ATOM 178 CD1 LEU A 12 -5.740 5.685 -2.436 1.00 0.00 C ATOM 179 CD2 LEU A 12 -4.397 6.465 -0.479 1.00 0.00 C ATOM 0 H LEU A 12 -7.043 2.452 0.318 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.087 3.239 -2.273 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.364 4.586 -0.035 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.789 3.943 0.385 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.871 4.834 -1.787 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.265 6.439 -3.064 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.008 4.822 -3.045 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.640 6.103 -1.985 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.922 7.220 -1.105 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.297 6.882 -0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.706 6.158 0.306 1.00 0.00 H new ATOM 191 N ILE A 13 -4.070 1.404 -0.415 1.00 0.00 N ATOM 192 CA ILE A 13 -2.829 0.583 -0.489 1.00 0.00 C ATOM 193 C ILE A 13 -2.982 -0.475 -1.582 1.00 0.00 C ATOM 194 O ILE A 13 -2.091 -0.691 -2.379 1.00 0.00 O ATOM 195 CB ILE A 13 -2.601 -0.103 0.857 1.00 0.00 C ATOM 196 CG1 ILE A 13 -2.320 0.959 1.924 1.00 0.00 C ATOM 197 CG2 ILE A 13 -1.405 -1.051 0.754 1.00 0.00 C ATOM 198 CD1 ILE A 13 -0.927 1.552 1.699 1.00 0.00 C ATOM 0 H ILE A 13 -4.575 1.347 0.470 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.978 1.223 -0.723 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.489 -0.672 1.131 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.074 1.745 1.877 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.382 0.516 2.918 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -1.244 -1.539 1.715 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.603 -1.805 -0.008 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.514 -0.485 0.481 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.726 2.308 2.458 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.180 0.762 1.768 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.882 2.009 0.711 1.00 0.00 H new ATOM 210 N ARG A 14 -4.106 -1.137 -1.628 1.00 0.00 N ATOM 211 CA ARG A 14 -4.309 -2.176 -2.675 1.00 0.00 C ATOM 212 C ARG A 14 -4.024 -1.564 -4.046 1.00 0.00 C ATOM 213 O ARG A 14 -3.362 -2.155 -4.876 1.00 0.00 O ATOM 214 CB ARG A 14 -5.756 -2.672 -2.627 1.00 0.00 C ATOM 215 CG ARG A 14 -5.882 -3.958 -3.444 1.00 0.00 C ATOM 216 CD ARG A 14 -6.760 -3.702 -4.670 1.00 0.00 C ATOM 217 NE ARG A 14 -8.140 -4.197 -4.404 1.00 0.00 N ATOM 218 CZ ARG A 14 -9.134 -3.785 -5.143 1.00 0.00 C ATOM 219 NH1 ARG A 14 -9.349 -4.329 -6.309 1.00 0.00 N ATOM 220 NH2 ARG A 14 -9.912 -2.827 -4.717 1.00 0.00 N ATOM 0 H ARG A 14 -4.889 -1.004 -0.988 1.00 0.00 H new ATOM 0 HA ARG A 14 -3.635 -3.014 -2.499 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.055 -2.854 -1.595 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -6.426 -1.909 -3.024 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -4.895 -4.301 -3.756 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -6.316 -4.749 -2.832 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -6.782 -2.637 -4.899 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -6.343 -4.207 -5.541 1.00 0.00 H new ATOM 0 HE ARG A 14 -8.308 -4.857 -3.645 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -8.740 -5.076 -6.643 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -10.126 -4.007 -6.887 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -9.743 -2.400 -3.806 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -10.689 -2.506 -5.295 1.00 0.00 H new ATOM 234 N GLN A 15 -4.517 -0.380 -4.285 1.00 0.00 N ATOM 235 CA GLN A 15 -4.275 0.278 -5.596 1.00 0.00 C ATOM 236 C GLN A 15 -2.769 0.444 -5.814 1.00 0.00 C ATOM 237 O GLN A 15 -2.250 0.133 -6.867 1.00 0.00 O ATOM 238 CB GLN A 15 -4.948 1.652 -5.611 1.00 0.00 C ATOM 239 CG GLN A 15 -6.425 1.492 -5.974 1.00 0.00 C ATOM 240 CD GLN A 15 -6.809 2.542 -7.017 1.00 0.00 C ATOM 241 OE1 GLN A 15 -6.502 2.398 -8.183 1.00 0.00 O ATOM 242 NE2 GLN A 15 -7.474 3.600 -6.643 1.00 0.00 N ATOM 0 H GLN A 15 -5.078 0.160 -3.626 1.00 0.00 H new ATOM 0 HA GLN A 15 -4.691 -0.338 -6.393 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -4.852 2.127 -4.634 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -4.454 2.303 -6.332 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.608 0.491 -6.365 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -7.044 1.605 -5.084 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.732 3.721 -5.663 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -7.736 4.307 -7.330 1.00 0.00 H new ATOM 251 N ALA A 16 -2.062 0.929 -4.828 1.00 0.00 N ATOM 252 CA ALA A 16 -0.591 1.107 -4.991 1.00 0.00 C ATOM 253 C ALA A 16 0.023 -0.210 -5.474 1.00 0.00 C ATOM 254 O ALA A 16 0.638 -0.271 -6.520 1.00 0.00 O ATOM 255 CB ALA A 16 0.028 1.500 -3.649 1.00 0.00 C ATOM 0 H ALA A 16 -2.438 1.208 -3.922 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.394 1.892 -5.721 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.104 1.630 -3.769 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.414 2.435 -3.304 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.163 0.716 -2.916 1.00 0.00 H new ATOM 261 N ILE A 17 -0.145 -1.266 -4.726 1.00 0.00 N ATOM 262 CA ILE A 17 0.422 -2.579 -5.147 1.00 0.00 C ATOM 263 C ILE A 17 -0.242 -3.018 -6.455 1.00 0.00 C ATOM 264 O ILE A 17 0.407 -3.476 -7.374 1.00 0.00 O ATOM 265 CB ILE A 17 0.147 -3.616 -4.057 1.00 0.00 C ATOM 266 CG1 ILE A 17 1.089 -3.367 -2.877 1.00 0.00 C ATOM 267 CG2 ILE A 17 0.386 -5.024 -4.608 1.00 0.00 C ATOM 268 CD1 ILE A 17 0.292 -3.397 -1.571 1.00 0.00 C ATOM 0 H ILE A 17 -0.651 -1.276 -3.840 1.00 0.00 H new ATOM 0 HA ILE A 17 1.497 -2.488 -5.299 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.889 -3.530 -3.729 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.871 -4.126 -2.856 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.584 -2.403 -2.991 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.189 -5.759 -3.827 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.281 -5.203 -5.451 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.421 -5.115 -4.938 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.963 -3.220 -0.731 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.473 -2.621 -1.594 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.183 -4.372 -1.457 1.00 0.00 H new ATOM 280 N LEU A 18 -1.535 -2.881 -6.537 1.00 0.00 N ATOM 281 CA LEU A 18 -2.264 -3.282 -7.770 1.00 0.00 C ATOM 282 C LEU A 18 -1.613 -2.637 -8.997 1.00 0.00 C ATOM 283 O LEU A 18 -1.780 -3.094 -10.110 1.00 0.00 O ATOM 284 CB LEU A 18 -3.718 -2.813 -7.653 1.00 0.00 C ATOM 285 CG LEU A 18 -4.521 -3.254 -8.879 1.00 0.00 C ATOM 286 CD1 LEU A 18 -4.222 -2.321 -10.054 1.00 0.00 C ATOM 287 CD2 LEU A 18 -4.144 -4.691 -9.254 1.00 0.00 C ATOM 0 H LEU A 18 -2.124 -2.504 -5.794 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.227 -4.365 -7.883 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.168 -3.224 -6.749 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.750 -1.727 -7.560 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.585 -3.210 -8.646 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.795 -2.638 -10.925 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.499 -1.301 -9.788 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.158 -2.359 -10.287 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.718 -5.002 -10.127 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.079 -4.740 -9.483 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.366 -5.355 -8.419 1.00 0.00 H new ATOM 299 N GLU A 19 -0.875 -1.579 -8.806 1.00 0.00 N ATOM 300 CA GLU A 19 -0.222 -0.908 -9.968 1.00 0.00 C ATOM 301 C GLU A 19 0.744 -1.878 -10.656 1.00 0.00 C ATOM 302 O GLU A 19 1.217 -1.626 -11.747 1.00 0.00 O ATOM 303 CB GLU A 19 0.545 0.324 -9.479 1.00 0.00 C ATOM 304 CG GLU A 19 1.849 -0.112 -8.804 1.00 0.00 C ATOM 305 CD GLU A 19 2.368 1.021 -7.917 1.00 0.00 C ATOM 306 OE1 GLU A 19 1.855 2.122 -8.034 1.00 0.00 O ATOM 307 OE2 GLU A 19 3.267 0.768 -7.133 1.00 0.00 O ATOM 0 H GLU A 19 -0.695 -1.150 -7.898 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.986 -0.602 -10.683 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.762 0.985 -10.318 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.067 0.890 -8.777 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.680 -1.008 -8.206 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.593 -0.368 -9.558 1.00 0.00 H new ATOM 314 N SER A 20 1.049 -2.980 -10.025 1.00 0.00 N ATOM 315 CA SER A 20 1.991 -3.955 -10.647 1.00 0.00 C ATOM 316 C SER A 20 1.201 -5.053 -11.370 1.00 0.00 C ATOM 317 O SER A 20 0.027 -5.238 -11.119 1.00 0.00 O ATOM 318 CB SER A 20 2.860 -4.586 -9.558 1.00 0.00 C ATOM 319 OG SER A 20 2.063 -4.834 -8.406 1.00 0.00 O ATOM 0 H SER A 20 0.688 -3.247 -9.109 1.00 0.00 H new ATOM 0 HA SER A 20 2.624 -3.436 -11.367 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.297 -5.517 -9.919 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.687 -3.922 -9.306 1.00 0.00 H new ATOM 0 HG SER A 20 1.907 -3.992 -7.929 1.00 0.00 H new ATOM 325 N PRO A 21 1.879 -5.753 -12.248 1.00 0.00 N ATOM 326 CA PRO A 21 1.275 -6.847 -13.029 1.00 0.00 C ATOM 327 C PRO A 21 1.140 -8.103 -12.165 1.00 0.00 C ATOM 328 O PRO A 21 0.527 -9.077 -12.555 1.00 0.00 O ATOM 329 CB PRO A 21 2.276 -7.069 -14.168 1.00 0.00 C ATOM 330 CG PRO A 21 3.630 -6.509 -13.674 1.00 0.00 C ATOM 331 CD PRO A 21 3.308 -5.516 -12.540 1.00 0.00 C ATOM 0 HA PRO A 21 0.273 -6.618 -13.390 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.359 -8.128 -14.411 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.952 -6.558 -15.075 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.274 -7.312 -13.315 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.163 -6.012 -14.485 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.929 -5.697 -11.663 1.00 0.00 H new ATOM 0 HD3 PRO A 21 3.486 -4.486 -12.849 1.00 0.00 H new ATOM 339 N GLU A 22 1.704 -8.083 -10.988 1.00 0.00 N ATOM 340 CA GLU A 22 1.611 -9.261 -10.093 1.00 0.00 C ATOM 341 C GLU A 22 1.100 -8.816 -8.721 1.00 0.00 C ATOM 342 O GLU A 22 1.054 -9.588 -7.783 1.00 0.00 O ATOM 343 CB GLU A 22 2.994 -9.900 -9.942 1.00 0.00 C ATOM 344 CG GLU A 22 3.494 -10.366 -11.310 1.00 0.00 C ATOM 345 CD GLU A 22 4.529 -9.372 -11.841 1.00 0.00 C ATOM 346 OE1 GLU A 22 4.684 -8.327 -11.234 1.00 0.00 O ATOM 347 OE2 GLU A 22 5.148 -9.675 -12.848 1.00 0.00 O ATOM 0 H GLU A 22 2.228 -7.294 -10.610 1.00 0.00 H new ATOM 0 HA GLU A 22 0.922 -9.990 -10.520 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.693 -9.182 -9.513 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.943 -10.745 -9.255 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.936 -11.359 -11.228 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.659 -10.445 -12.007 1.00 0.00 H new ATOM 354 N LYS A 23 0.711 -7.577 -8.597 1.00 0.00 N ATOM 355 CA LYS A 23 0.203 -7.081 -7.294 1.00 0.00 C ATOM 356 C LYS A 23 1.277 -7.280 -6.227 1.00 0.00 C ATOM 357 O LYS A 23 0.992 -7.687 -5.122 1.00 0.00 O ATOM 358 CB LYS A 23 -1.048 -7.871 -6.917 1.00 0.00 C ATOM 359 CG LYS A 23 -1.886 -7.074 -5.916 1.00 0.00 C ATOM 360 CD LYS A 23 -3.295 -7.667 -5.847 1.00 0.00 C ATOM 361 CE LYS A 23 -4.289 -6.580 -5.436 1.00 0.00 C ATOM 362 NZ LYS A 23 -5.533 -6.711 -6.247 1.00 0.00 N ATOM 0 H LYS A 23 0.724 -6.886 -9.347 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.041 -6.021 -7.367 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.637 -8.084 -7.809 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.766 -8.831 -6.485 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.419 -7.101 -4.931 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.934 -6.028 -6.217 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.574 -8.082 -6.816 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.321 -8.487 -5.130 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.523 -6.669 -4.375 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.848 -5.594 -5.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.689 -5.836 -6.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.436 -7.511 -6.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.343 -6.877 -5.616 1.00 0.00 H new ATOM 376 N GLN A 24 2.514 -7.014 -6.560 1.00 0.00 N ATOM 377 CA GLN A 24 3.617 -7.199 -5.584 1.00 0.00 C ATOM 378 C GLN A 24 4.682 -6.122 -5.791 1.00 0.00 C ATOM 379 O GLN A 24 5.226 -5.982 -6.869 1.00 0.00 O ATOM 380 CB GLN A 24 4.258 -8.560 -5.826 1.00 0.00 C ATOM 381 CG GLN A 24 3.207 -9.560 -6.317 1.00 0.00 C ATOM 382 CD GLN A 24 3.644 -10.980 -5.957 1.00 0.00 C ATOM 383 OE1 GLN A 24 4.723 -11.183 -5.436 1.00 0.00 O ATOM 384 NE2 GLN A 24 2.846 -11.982 -6.214 1.00 0.00 N ATOM 0 H GLN A 24 2.805 -6.673 -7.477 1.00 0.00 H new ATOM 0 HA GLN A 24 3.219 -7.131 -4.572 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.056 -8.468 -6.563 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.715 -8.924 -4.906 1.00 0.00 H new ATOM 0 HG2 GLN A 24 2.241 -9.340 -5.863 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.080 -9.470 -7.396 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.940 -11.813 -6.651 1.00 0.00 H new ATOM 0 HE22 GLN A 24 3.129 -12.933 -5.977 1.00 0.00 H new ATOM 393 N LEU A 25 5.011 -5.372 -4.772 1.00 0.00 N ATOM 394 CA LEU A 25 6.064 -4.340 -4.950 1.00 0.00 C ATOM 395 C LEU A 25 6.610 -3.877 -3.599 1.00 0.00 C ATOM 396 O LEU A 25 5.906 -3.827 -2.612 1.00 0.00 O ATOM 397 CB LEU A 25 5.505 -3.151 -5.725 1.00 0.00 C ATOM 398 CG LEU A 25 4.080 -2.848 -5.263 1.00 0.00 C ATOM 399 CD1 LEU A 25 4.090 -2.457 -3.785 1.00 0.00 C ATOM 400 CD2 LEU A 25 3.519 -1.688 -6.088 1.00 0.00 C ATOM 0 H LEU A 25 4.601 -5.430 -3.840 1.00 0.00 H new ATOM 0 HA LEU A 25 6.884 -4.782 -5.516 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.139 -2.277 -5.573 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.511 -3.367 -6.793 1.00 0.00 H new ATOM 0 HG LEU A 25 3.459 -3.733 -5.399 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.073 -2.242 -3.459 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.494 -3.279 -3.194 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.710 -1.571 -3.647 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.502 -1.468 -5.762 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.144 -0.806 -5.948 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.510 -1.962 -7.143 1.00 0.00 H new ATOM 412 N THR A 26 7.875 -3.560 -3.552 1.00 0.00 N ATOM 413 CA THR A 26 8.501 -3.122 -2.273 1.00 0.00 C ATOM 414 C THR A 26 7.853 -1.828 -1.775 1.00 0.00 C ATOM 415 O THR A 26 7.194 -1.122 -2.513 1.00 0.00 O ATOM 416 CB THR A 26 9.994 -2.875 -2.501 1.00 0.00 C ATOM 417 OG1 THR A 26 10.175 -1.584 -3.069 1.00 0.00 O ATOM 418 CG2 THR A 26 10.551 -3.935 -3.451 1.00 0.00 C ATOM 0 H THR A 26 8.507 -3.586 -4.352 1.00 0.00 H new ATOM 0 HA THR A 26 8.356 -3.903 -1.526 1.00 0.00 H new ATOM 0 HB THR A 26 10.522 -2.933 -1.549 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.105 -1.483 -3.362 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.614 -3.757 -3.612 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.411 -4.924 -3.015 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.026 -3.881 -4.405 1.00 0.00 H new ATOM 426 N LEU A 27 8.053 -1.512 -0.525 1.00 0.00 N ATOM 427 CA LEU A 27 7.469 -0.261 0.034 1.00 0.00 C ATOM 428 C LEU A 27 8.056 0.936 -0.712 1.00 0.00 C ATOM 429 O LEU A 27 7.391 1.924 -0.946 1.00 0.00 O ATOM 430 CB LEU A 27 7.820 -0.155 1.521 1.00 0.00 C ATOM 431 CG LEU A 27 9.287 -0.535 1.730 1.00 0.00 C ATOM 432 CD1 LEU A 27 10.045 0.656 2.321 1.00 0.00 C ATOM 433 CD2 LEU A 27 9.373 -1.721 2.694 1.00 0.00 C ATOM 0 H LEU A 27 8.597 -2.068 0.135 1.00 0.00 H new ATOM 0 HA LEU A 27 6.385 -0.275 -0.082 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.643 0.860 1.875 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.177 -0.813 2.105 1.00 0.00 H new ATOM 0 HG LEU A 27 9.731 -0.809 0.773 1.00 0.00 H new ATOM 0 HD11 LEU A 27 11.090 0.385 2.470 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.984 1.502 1.637 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.602 0.931 3.278 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.418 -1.993 2.844 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.929 -1.445 3.651 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.834 -2.570 2.275 1.00 0.00 H new ATOM 445 N ASN A 28 9.300 0.852 -1.097 1.00 0.00 N ATOM 446 CA ASN A 28 9.923 1.985 -1.832 1.00 0.00 C ATOM 447 C ASN A 28 9.011 2.382 -2.992 1.00 0.00 C ATOM 448 O ASN A 28 8.683 3.539 -3.170 1.00 0.00 O ATOM 449 CB ASN A 28 11.286 1.554 -2.378 1.00 0.00 C ATOM 450 CG ASN A 28 12.393 2.085 -1.465 1.00 0.00 C ATOM 451 OD1 ASN A 28 12.121 2.682 -0.443 1.00 0.00 O ATOM 452 ND2 ASN A 28 13.641 1.892 -1.795 1.00 0.00 N ATOM 0 H ASN A 28 9.909 0.050 -0.934 1.00 0.00 H new ATOM 0 HA ASN A 28 10.058 2.832 -1.160 1.00 0.00 H new ATOM 0 HB2 ASN A 28 11.339 0.467 -2.437 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.421 1.935 -3.390 1.00 0.00 H new ATOM 0 HD21 ASN A 28 14.387 2.243 -1.195 1.00 0.00 H new ATOM 0 HD22 ASN A 28 13.870 1.391 -2.653 1.00 0.00 H new ATOM 459 N GLU A 29 8.592 1.429 -3.779 1.00 0.00 N ATOM 460 CA GLU A 29 7.693 1.752 -4.922 1.00 0.00 C ATOM 461 C GLU A 29 6.397 2.369 -4.388 1.00 0.00 C ATOM 462 O GLU A 29 5.791 3.209 -5.023 1.00 0.00 O ATOM 463 CB GLU A 29 7.368 0.471 -5.694 1.00 0.00 C ATOM 464 CG GLU A 29 8.426 0.242 -6.776 1.00 0.00 C ATOM 465 CD GLU A 29 8.511 -1.251 -7.099 1.00 0.00 C ATOM 466 OE1 GLU A 29 8.167 -2.044 -6.237 1.00 0.00 O ATOM 467 OE2 GLU A 29 8.917 -1.576 -8.201 1.00 0.00 O ATOM 0 H GLU A 29 8.833 0.443 -3.680 1.00 0.00 H new ATOM 0 HA GLU A 29 8.188 2.460 -5.587 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.340 -0.379 -5.013 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.380 0.548 -6.148 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.171 0.805 -7.674 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.395 0.607 -6.435 1.00 0.00 H new ATOM 474 N ILE A 30 5.965 1.957 -3.226 1.00 0.00 N ATOM 475 CA ILE A 30 4.707 2.520 -2.655 1.00 0.00 C ATOM 476 C ILE A 30 4.952 3.970 -2.209 1.00 0.00 C ATOM 477 O ILE A 30 4.153 4.850 -2.460 1.00 0.00 O ATOM 478 CB ILE A 30 4.247 1.639 -1.472 1.00 0.00 C ATOM 479 CG1 ILE A 30 2.738 1.408 -1.571 1.00 0.00 C ATOM 480 CG2 ILE A 30 4.565 2.300 -0.123 1.00 0.00 C ATOM 481 CD1 ILE A 30 2.326 0.303 -0.595 1.00 0.00 C ATOM 0 H ILE A 30 6.428 1.256 -2.648 1.00 0.00 H new ATOM 0 HA ILE A 30 3.919 2.524 -3.408 1.00 0.00 H new ATOM 0 HB ILE A 30 4.784 0.692 -1.526 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.202 2.329 -1.341 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.468 1.128 -2.589 1.00 0.00 H new ATOM 0 HG21 ILE A 30 4.228 1.654 0.687 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.640 2.457 -0.039 1.00 0.00 H new ATOM 0 HG23 ILE A 30 4.052 3.260 -0.058 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.251 0.138 -0.665 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.852 -0.618 -0.846 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.582 0.602 0.422 1.00 0.00 H new ATOM 493 N TYR A 31 6.050 4.222 -1.549 1.00 0.00 N ATOM 494 CA TYR A 31 6.343 5.610 -1.090 1.00 0.00 C ATOM 495 C TYR A 31 6.384 6.548 -2.299 1.00 0.00 C ATOM 496 O TYR A 31 5.937 7.676 -2.238 1.00 0.00 O ATOM 497 CB TYR A 31 7.698 5.634 -0.377 1.00 0.00 C ATOM 498 CG TYR A 31 8.063 7.059 -0.032 1.00 0.00 C ATOM 499 CD1 TYR A 31 7.103 7.914 0.522 1.00 0.00 C ATOM 500 CD2 TYR A 31 9.363 7.523 -0.264 1.00 0.00 C ATOM 501 CE1 TYR A 31 7.443 9.233 0.843 1.00 0.00 C ATOM 502 CE2 TYR A 31 9.704 8.843 0.056 1.00 0.00 C ATOM 503 CZ TYR A 31 8.744 9.698 0.610 1.00 0.00 C ATOM 504 OH TYR A 31 9.078 10.999 0.926 1.00 0.00 O ATOM 0 H TYR A 31 6.757 3.527 -1.308 1.00 0.00 H new ATOM 0 HA TYR A 31 5.564 5.939 -0.402 1.00 0.00 H new ATOM 0 HB2 TYR A 31 7.655 5.029 0.529 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.465 5.196 -1.016 1.00 0.00 H new ATOM 0 HD1 TYR A 31 6.100 7.556 0.702 1.00 0.00 H new ATOM 0 HD2 TYR A 31 10.104 6.863 -0.690 1.00 0.00 H new ATOM 0 HE1 TYR A 31 6.702 9.893 1.270 1.00 0.00 H new ATOM 0 HE2 TYR A 31 10.707 9.201 -0.124 1.00 0.00 H new ATOM 0 HH TYR A 31 9.900 11.005 1.459 1.00 0.00 H new ATOM 514 N ASN A 32 6.921 6.090 -3.396 1.00 0.00 N ATOM 515 CA ASN A 32 6.996 6.952 -4.609 1.00 0.00 C ATOM 516 C ASN A 32 5.584 7.251 -5.122 1.00 0.00 C ATOM 517 O ASN A 32 5.188 8.393 -5.246 1.00 0.00 O ATOM 518 CB ASN A 32 7.790 6.225 -5.697 1.00 0.00 C ATOM 519 CG ASN A 32 8.337 7.242 -6.701 1.00 0.00 C ATOM 520 OD1 ASN A 32 8.011 8.411 -6.639 1.00 0.00 O ATOM 521 ND2 ASN A 32 9.161 6.842 -7.630 1.00 0.00 N ATOM 0 H ASN A 32 7.312 5.154 -3.505 1.00 0.00 H new ATOM 0 HA ASN A 32 7.491 7.889 -4.356 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.610 5.664 -5.249 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.151 5.504 -6.207 1.00 0.00 H new ATOM 0 HD21 ASN A 32 9.532 7.511 -8.305 1.00 0.00 H new ATOM 0 HD22 ASN A 32 9.434 5.861 -7.681 1.00 0.00 H new ATOM 528 N TRP A 33 4.825 6.234 -5.432 1.00 0.00 N ATOM 529 CA TRP A 33 3.444 6.461 -5.948 1.00 0.00 C ATOM 530 C TRP A 33 2.667 7.358 -4.970 1.00 0.00 C ATOM 531 O TRP A 33 2.018 8.305 -5.367 1.00 0.00 O ATOM 532 CB TRP A 33 2.750 5.092 -6.144 1.00 0.00 C ATOM 533 CG TRP A 33 1.580 4.924 -5.217 1.00 0.00 C ATOM 534 CD1 TRP A 33 1.643 4.388 -3.977 1.00 0.00 C ATOM 535 CD2 TRP A 33 0.185 5.279 -5.440 1.00 0.00 C ATOM 536 NE1 TRP A 33 0.375 4.395 -3.422 1.00 0.00 N ATOM 537 CE2 TRP A 33 -0.557 4.935 -4.285 1.00 0.00 C ATOM 538 CE3 TRP A 33 -0.502 5.863 -6.520 1.00 0.00 C ATOM 539 CZ2 TRP A 33 -1.932 5.159 -4.205 1.00 0.00 C ATOM 540 CZ3 TRP A 33 -1.886 6.091 -6.443 1.00 0.00 C ATOM 541 CH2 TRP A 33 -2.599 5.740 -5.288 1.00 0.00 C ATOM 0 H TRP A 33 5.102 5.256 -5.350 1.00 0.00 H new ATOM 0 HA TRP A 33 3.475 6.972 -6.911 1.00 0.00 H new ATOM 0 HB2 TRP A 33 2.412 5.000 -7.176 1.00 0.00 H new ATOM 0 HB3 TRP A 33 3.469 4.291 -5.971 1.00 0.00 H new ATOM 0 HD1 TRP A 33 2.536 4.015 -3.498 1.00 0.00 H new ATOM 0 HE1 TRP A 33 0.156 4.044 -2.490 1.00 0.00 H new ATOM 0 HE3 TRP A 33 0.038 6.138 -7.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.477 4.886 -3.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -2.404 6.539 -7.278 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -3.663 5.918 -5.235 1.00 0.00 H new ATOM 552 N PHE A 34 2.730 7.068 -3.700 1.00 0.00 N ATOM 553 CA PHE A 34 1.996 7.903 -2.707 1.00 0.00 C ATOM 554 C PHE A 34 2.299 9.384 -2.955 1.00 0.00 C ATOM 555 O PHE A 34 1.407 10.187 -3.144 1.00 0.00 O ATOM 556 CB PHE A 34 2.446 7.524 -1.294 1.00 0.00 C ATOM 557 CG PHE A 34 1.348 6.750 -0.602 1.00 0.00 C ATOM 558 CD1 PHE A 34 1.152 5.397 -0.902 1.00 0.00 C ATOM 559 CD2 PHE A 34 0.530 7.384 0.340 1.00 0.00 C ATOM 560 CE1 PHE A 34 0.137 4.677 -0.260 1.00 0.00 C ATOM 561 CE2 PHE A 34 -0.486 6.664 0.983 1.00 0.00 C ATOM 562 CZ PHE A 34 -0.682 5.311 0.682 1.00 0.00 C ATOM 0 H PHE A 34 3.258 6.289 -3.306 1.00 0.00 H new ATOM 0 HA PHE A 34 0.925 7.730 -2.811 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.355 6.924 -1.340 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.686 8.422 -0.725 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.784 4.908 -1.629 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.682 8.428 0.571 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.014 3.633 -0.491 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.117 7.153 1.710 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.465 4.756 1.177 1.00 0.00 H new ATOM 572 N THR A 35 3.551 9.752 -2.949 1.00 0.00 N ATOM 573 CA THR A 35 3.915 11.181 -3.177 1.00 0.00 C ATOM 574 C THR A 35 3.741 11.535 -4.658 1.00 0.00 C ATOM 575 O THR A 35 3.243 12.589 -4.999 1.00 0.00 O ATOM 576 CB THR A 35 5.375 11.401 -2.775 1.00 0.00 C ATOM 577 OG1 THR A 35 5.847 10.263 -2.068 1.00 0.00 O ATOM 578 CG2 THR A 35 5.482 12.639 -1.882 1.00 0.00 C ATOM 0 H THR A 35 4.340 9.124 -2.796 1.00 0.00 H new ATOM 0 HA THR A 35 3.264 11.817 -2.576 1.00 0.00 H new ATOM 0 HB THR A 35 5.979 11.550 -3.670 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.997 9.526 -2.697 1.00 0.00 H new ATOM 0 HG21 THR A 35 6.523 12.793 -1.597 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.121 13.512 -2.426 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.878 12.495 -0.986 1.00 0.00 H new ATOM 586 N ARG A 36 4.160 10.668 -5.537 1.00 0.00 N ATOM 587 CA ARG A 36 4.033 10.955 -6.995 1.00 0.00 C ATOM 588 C ARG A 36 2.601 11.381 -7.332 1.00 0.00 C ATOM 589 O ARG A 36 2.382 12.332 -8.056 1.00 0.00 O ATOM 590 CB ARG A 36 4.390 9.698 -7.791 1.00 0.00 C ATOM 591 CG ARG A 36 5.781 9.861 -8.407 1.00 0.00 C ATOM 592 CD ARG A 36 5.676 9.795 -9.931 1.00 0.00 C ATOM 593 NE ARG A 36 5.403 8.391 -10.347 1.00 0.00 N ATOM 594 CZ ARG A 36 6.056 7.869 -11.348 1.00 0.00 C ATOM 595 NH1 ARG A 36 6.547 8.640 -12.282 1.00 0.00 N ATOM 596 NH2 ARG A 36 6.222 6.576 -11.417 1.00 0.00 N ATOM 0 H ARG A 36 4.586 9.770 -5.309 1.00 0.00 H new ATOM 0 HA ARG A 36 4.713 11.766 -7.257 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.369 8.824 -7.140 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.651 9.529 -8.575 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.215 10.813 -8.103 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.445 9.077 -8.044 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.879 10.451 -10.281 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.602 10.148 -10.386 1.00 0.00 H new ATOM 0 HE ARG A 36 4.705 7.838 -9.849 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.420 9.651 -12.228 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.058 8.231 -13.065 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.841 5.973 -10.688 1.00 0.00 H new ATOM 0 HH22 ARG A 36 6.733 6.168 -12.200 1.00 0.00 H new ATOM 610 N MET A 37 1.622 10.679 -6.829 1.00 0.00 N ATOM 611 CA MET A 37 0.210 11.044 -7.142 1.00 0.00 C ATOM 612 C MET A 37 -0.273 12.154 -6.202 1.00 0.00 C ATOM 613 O MET A 37 -1.124 12.947 -6.555 1.00 0.00 O ATOM 614 CB MET A 37 -0.684 9.813 -6.974 1.00 0.00 C ATOM 615 CG MET A 37 -0.433 8.839 -8.129 1.00 0.00 C ATOM 616 SD MET A 37 -0.811 9.655 -9.700 1.00 0.00 S ATOM 617 CE MET A 37 -2.509 9.052 -9.869 1.00 0.00 C ATOM 0 H MET A 37 1.738 9.871 -6.217 1.00 0.00 H new ATOM 0 HA MET A 37 0.158 11.402 -8.170 1.00 0.00 H new ATOM 0 HB2 MET A 37 -0.475 9.326 -6.021 1.00 0.00 H new ATOM 0 HB3 MET A 37 -1.732 10.111 -6.957 1.00 0.00 H new ATOM 0 HG2 MET A 37 0.605 8.507 -8.120 1.00 0.00 H new ATOM 0 HG3 MET A 37 -1.053 7.950 -8.010 1.00 0.00 H new ATOM 0 HE1 MET A 37 -2.943 9.441 -10.790 1.00 0.00 H new ATOM 0 HE2 MET A 37 -2.507 7.962 -9.901 1.00 0.00 H new ATOM 0 HE3 MET A 37 -3.101 9.388 -9.018 1.00 0.00 H new ATOM 627 N PHE A 38 0.255 12.219 -5.010 1.00 0.00 N ATOM 628 CA PHE A 38 -0.192 13.282 -4.062 1.00 0.00 C ATOM 629 C PHE A 38 1.025 13.869 -3.336 1.00 0.00 C ATOM 630 O PHE A 38 1.619 13.215 -2.504 1.00 0.00 O ATOM 631 CB PHE A 38 -1.150 12.679 -3.032 1.00 0.00 C ATOM 632 CG PHE A 38 -1.934 11.556 -3.668 1.00 0.00 C ATOM 633 CD1 PHE A 38 -2.984 11.845 -4.548 1.00 0.00 C ATOM 634 CD2 PHE A 38 -1.608 10.226 -3.381 1.00 0.00 C ATOM 635 CE1 PHE A 38 -3.708 10.803 -5.140 1.00 0.00 C ATOM 636 CE2 PHE A 38 -2.332 9.184 -3.972 1.00 0.00 C ATOM 637 CZ PHE A 38 -3.382 9.473 -4.852 1.00 0.00 C ATOM 0 H PHE A 38 0.972 11.587 -4.652 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.700 14.069 -4.619 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.590 12.305 -2.174 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.830 13.446 -2.660 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.235 12.872 -4.770 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.797 10.003 -2.703 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.518 11.026 -5.819 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.081 8.157 -3.749 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.940 8.669 -5.309 1.00 0.00 H new ATOM 647 N PRO A 39 1.364 15.090 -3.674 1.00 0.00 N ATOM 648 CA PRO A 39 2.508 15.789 -3.067 1.00 0.00 C ATOM 649 C PRO A 39 2.135 16.331 -1.683 1.00 0.00 C ATOM 650 O PRO A 39 2.936 16.955 -1.016 1.00 0.00 O ATOM 651 CB PRO A 39 2.791 16.932 -4.045 1.00 0.00 C ATOM 652 CG PRO A 39 1.480 17.170 -4.830 1.00 0.00 C ATOM 653 CD PRO A 39 0.641 15.885 -4.689 1.00 0.00 C ATOM 0 HA PRO A 39 3.372 15.142 -2.914 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.093 17.833 -3.512 1.00 0.00 H new ATOM 0 HB3 PRO A 39 3.606 16.672 -4.720 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.941 18.030 -4.432 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.690 17.382 -5.878 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -0.377 16.107 -4.370 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.569 15.351 -5.636 1.00 0.00 H new ATOM 661 N TYR A 40 0.927 16.097 -1.243 1.00 0.00 N ATOM 662 CA TYR A 40 0.518 16.601 0.098 1.00 0.00 C ATOM 663 C TYR A 40 0.991 15.621 1.176 1.00 0.00 C ATOM 664 O TYR A 40 0.886 15.884 2.357 1.00 0.00 O ATOM 665 CB TYR A 40 -1.008 16.747 0.155 1.00 0.00 C ATOM 666 CG TYR A 40 -1.657 15.391 0.318 1.00 0.00 C ATOM 667 CD1 TYR A 40 -1.638 14.748 1.562 1.00 0.00 C ATOM 668 CD2 TYR A 40 -2.288 14.783 -0.774 1.00 0.00 C ATOM 669 CE1 TYR A 40 -2.246 13.497 1.713 1.00 0.00 C ATOM 670 CE2 TYR A 40 -2.898 13.532 -0.621 1.00 0.00 C ATOM 671 CZ TYR A 40 -2.877 12.889 0.622 1.00 0.00 C ATOM 672 OH TYR A 40 -3.479 11.656 0.771 1.00 0.00 O ATOM 0 H TYR A 40 0.210 15.581 -1.752 1.00 0.00 H new ATOM 0 HA TYR A 40 0.972 17.576 0.274 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.288 17.394 0.986 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.369 17.224 -0.756 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.154 15.218 2.405 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -2.304 15.278 -1.733 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -2.228 13.000 2.672 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.385 13.063 -1.463 1.00 0.00 H new ATOM 0 HH TYR A 40 -2.803 10.951 0.696 1.00 0.00 H new ATOM 682 N PHE A 41 1.513 14.493 0.777 1.00 0.00 N ATOM 683 CA PHE A 41 1.994 13.497 1.776 1.00 0.00 C ATOM 684 C PHE A 41 3.369 13.920 2.297 1.00 0.00 C ATOM 685 O PHE A 41 3.882 13.363 3.248 1.00 0.00 O ATOM 686 CB PHE A 41 2.106 12.123 1.110 1.00 0.00 C ATOM 687 CG PHE A 41 0.830 11.345 1.330 1.00 0.00 C ATOM 688 CD1 PHE A 41 0.516 10.859 2.604 1.00 0.00 C ATOM 689 CD2 PHE A 41 -0.038 11.109 0.257 1.00 0.00 C ATOM 690 CE1 PHE A 41 -0.666 10.137 2.806 1.00 0.00 C ATOM 691 CE2 PHE A 41 -1.220 10.386 0.460 1.00 0.00 C ATOM 692 CZ PHE A 41 -1.534 9.900 1.734 1.00 0.00 C ATOM 0 H PHE A 41 1.627 14.218 -0.199 1.00 0.00 H new ATOM 0 HA PHE A 41 1.289 13.446 2.606 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.293 12.240 0.042 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.953 11.576 1.524 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.186 11.041 3.432 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.204 11.484 -0.726 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.908 9.763 3.790 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.890 10.203 -0.367 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.446 9.342 1.890 1.00 0.00 H new ATOM 702 N ARG A 42 3.976 14.894 1.676 1.00 0.00 N ATOM 703 CA ARG A 42 5.323 15.346 2.128 1.00 0.00 C ATOM 704 C ARG A 42 5.185 16.297 3.323 1.00 0.00 C ATOM 705 O ARG A 42 5.800 17.344 3.368 1.00 0.00 O ATOM 706 CB ARG A 42 6.023 16.074 0.981 1.00 0.00 C ATOM 707 CG ARG A 42 7.440 16.457 1.410 1.00 0.00 C ATOM 708 CD ARG A 42 8.449 15.885 0.413 1.00 0.00 C ATOM 709 NE ARG A 42 8.404 14.396 0.460 1.00 0.00 N ATOM 710 CZ ARG A 42 9.429 13.727 0.912 1.00 0.00 C ATOM 711 NH1 ARG A 42 9.662 13.680 2.195 1.00 0.00 N ATOM 712 NH2 ARG A 42 10.221 13.107 0.082 1.00 0.00 N ATOM 0 H ARG A 42 3.597 15.397 0.874 1.00 0.00 H new ATOM 0 HA ARG A 42 5.909 14.477 2.428 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.059 15.435 0.099 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.461 16.967 0.706 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.536 17.542 1.458 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.644 16.074 2.410 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.220 16.235 -0.594 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.452 16.237 0.652 1.00 0.00 H new ATOM 0 HE ARG A 42 7.572 13.900 0.139 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.043 14.166 2.844 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.463 13.157 2.549 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.039 13.145 -0.921 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.022 12.584 0.436 1.00 0.00 H new ATOM 726 N ARG A 43 4.392 15.937 4.295 1.00 0.00 N ATOM 727 CA ARG A 43 4.226 16.818 5.486 1.00 0.00 C ATOM 728 C ARG A 43 4.093 15.944 6.733 1.00 0.00 C ATOM 729 O ARG A 43 4.879 16.034 7.656 1.00 0.00 O ATOM 730 CB ARG A 43 2.970 17.676 5.321 1.00 0.00 C ATOM 731 CG ARG A 43 3.127 18.966 6.127 1.00 0.00 C ATOM 732 CD ARG A 43 2.020 19.949 5.740 1.00 0.00 C ATOM 733 NE ARG A 43 2.586 21.325 5.657 1.00 0.00 N ATOM 734 CZ ARG A 43 3.150 21.734 4.553 1.00 0.00 C ATOM 735 NH1 ARG A 43 3.542 20.865 3.661 1.00 0.00 N ATOM 736 NH2 ARG A 43 3.321 23.009 4.341 1.00 0.00 N ATOM 0 H ARG A 43 3.852 15.072 4.316 1.00 0.00 H new ATOM 0 HA ARG A 43 5.092 17.472 5.585 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.811 17.909 4.268 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.093 17.126 5.662 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.078 18.749 7.194 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.104 19.409 5.937 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.585 19.665 4.782 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.217 19.918 6.477 1.00 0.00 H new ATOM 0 HE ARG A 43 2.533 21.948 6.463 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.407 19.868 3.827 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.983 21.183 2.798 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.014 23.688 5.038 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.762 23.328 3.478 1.00 0.00 H new ATOM 750 N ASN A 44 3.110 15.089 6.759 1.00 0.00 N ATOM 751 CA ASN A 44 2.925 14.193 7.934 1.00 0.00 C ATOM 752 C ASN A 44 3.203 12.754 7.496 1.00 0.00 C ATOM 753 O ASN A 44 2.372 11.879 7.638 1.00 0.00 O ATOM 754 CB ASN A 44 1.488 14.305 8.445 1.00 0.00 C ATOM 755 CG ASN A 44 1.286 15.668 9.110 1.00 0.00 C ATOM 756 OD1 ASN A 44 0.663 16.545 8.546 1.00 0.00 O ATOM 757 ND2 ASN A 44 1.790 15.882 10.294 1.00 0.00 N ATOM 0 H ASN A 44 2.424 14.972 6.014 1.00 0.00 H new ATOM 0 HA ASN A 44 3.608 14.480 8.733 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.787 14.184 7.619 1.00 0.00 H new ATOM 0 HB3 ASN A 44 1.281 13.507 9.158 1.00 0.00 H new ATOM 0 HD21 ASN A 44 1.661 16.787 10.747 1.00 0.00 H new ATOM 0 HD22 ASN A 44 2.313 15.145 10.767 1.00 0.00 H new ATOM 764 N ALA A 45 4.363 12.509 6.948 1.00 0.00 N ATOM 765 CA ALA A 45 4.693 11.134 6.480 1.00 0.00 C ATOM 766 C ALA A 45 5.020 10.231 7.675 1.00 0.00 C ATOM 767 O ALA A 45 5.392 9.085 7.510 1.00 0.00 O ATOM 768 CB ALA A 45 5.903 11.194 5.546 1.00 0.00 C ATOM 0 H ALA A 45 5.096 13.203 6.805 1.00 0.00 H new ATOM 0 HA ALA A 45 3.834 10.724 5.950 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.147 10.189 5.202 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.670 11.825 4.688 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.756 11.611 6.082 1.00 0.00 H new ATOM 774 N ALA A 46 4.891 10.730 8.873 1.00 0.00 N ATOM 775 CA ALA A 46 5.201 9.891 10.065 1.00 0.00 C ATOM 776 C ALA A 46 3.947 9.129 10.503 1.00 0.00 C ATOM 777 O ALA A 46 4.025 8.141 11.205 1.00 0.00 O ATOM 778 CB ALA A 46 5.676 10.788 11.208 1.00 0.00 C ATOM 0 H ALA A 46 4.585 11.681 9.078 1.00 0.00 H new ATOM 0 HA ALA A 46 5.984 9.178 9.809 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.903 10.176 12.081 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.572 11.327 10.900 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.892 11.502 11.460 1.00 0.00 H new ATOM 784 N THR A 47 2.792 9.585 10.104 1.00 0.00 N ATOM 785 CA THR A 47 1.538 8.888 10.512 1.00 0.00 C ATOM 786 C THR A 47 1.141 7.843 9.464 1.00 0.00 C ATOM 787 O THR A 47 0.678 6.769 9.792 1.00 0.00 O ATOM 788 CB THR A 47 0.410 9.913 10.650 1.00 0.00 C ATOM 789 OG1 THR A 47 0.891 11.051 11.352 1.00 0.00 O ATOM 790 CG2 THR A 47 -0.758 9.292 11.418 1.00 0.00 C ATOM 0 H THR A 47 2.661 10.407 9.515 1.00 0.00 H new ATOM 0 HA THR A 47 1.709 8.388 11.465 1.00 0.00 H new ATOM 0 HB THR A 47 0.069 10.214 9.659 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.171 11.710 11.440 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.560 10.024 11.515 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.126 8.420 10.878 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.421 8.989 12.410 1.00 0.00 H new ATOM 798 N TRP A 48 1.292 8.159 8.208 1.00 0.00 N ATOM 799 CA TRP A 48 0.895 7.193 7.140 1.00 0.00 C ATOM 800 C TRP A 48 1.975 6.116 6.950 1.00 0.00 C ATOM 801 O TRP A 48 1.676 4.945 6.833 1.00 0.00 O ATOM 802 CB TRP A 48 0.650 7.965 5.831 1.00 0.00 C ATOM 803 CG TRP A 48 1.912 8.103 5.040 1.00 0.00 C ATOM 804 CD1 TRP A 48 2.546 9.268 4.803 1.00 0.00 C ATOM 805 CD2 TRP A 48 2.683 7.070 4.362 1.00 0.00 C ATOM 806 NE1 TRP A 48 3.673 9.019 4.043 1.00 0.00 N ATOM 807 CE2 TRP A 48 3.798 7.678 3.740 1.00 0.00 C ATOM 808 CE3 TRP A 48 2.529 5.679 4.234 1.00 0.00 C ATOM 809 CZ2 TRP A 48 4.727 6.932 3.015 1.00 0.00 C ATOM 810 CZ3 TRP A 48 3.461 4.924 3.504 1.00 0.00 C ATOM 811 CH2 TRP A 48 4.558 5.549 2.895 1.00 0.00 C ATOM 0 H TRP A 48 1.673 9.044 7.873 1.00 0.00 H new ATOM 0 HA TRP A 48 -0.024 6.685 7.434 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.101 7.446 5.235 1.00 0.00 H new ATOM 0 HB3 TRP A 48 0.250 8.953 6.058 1.00 0.00 H new ATOM 0 HD1 TRP A 48 2.225 10.239 5.151 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.332 9.738 3.743 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.688 5.187 4.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.571 7.419 2.549 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 3.332 3.856 3.411 1.00 0.00 H new ATOM 0 HH2 TRP A 48 5.271 4.963 2.334 1.00 0.00 H new ATOM 822 N LYS A 49 3.222 6.498 6.908 1.00 0.00 N ATOM 823 CA LYS A 49 4.303 5.489 6.714 1.00 0.00 C ATOM 824 C LYS A 49 4.224 4.422 7.809 1.00 0.00 C ATOM 825 O LYS A 49 4.545 3.271 7.589 1.00 0.00 O ATOM 826 CB LYS A 49 5.667 6.184 6.771 1.00 0.00 C ATOM 827 CG LYS A 49 6.012 6.535 8.221 1.00 0.00 C ATOM 828 CD LYS A 49 7.282 7.390 8.251 1.00 0.00 C ATOM 829 CE LYS A 49 8.510 6.479 8.310 1.00 0.00 C ATOM 830 NZ LYS A 49 8.942 6.320 9.728 1.00 0.00 N ATOM 0 H LYS A 49 3.539 7.463 6.999 1.00 0.00 H new ATOM 0 HA LYS A 49 4.177 5.012 5.742 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.435 5.533 6.353 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.650 7.088 6.163 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.186 7.076 8.682 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.160 5.624 8.801 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.328 8.023 7.365 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.266 8.053 9.116 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.275 5.506 7.879 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.320 6.904 7.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.777 5.701 9.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.182 7.251 10.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.169 5.897 10.281 1.00 0.00 H new ATOM 844 N ASN A 50 3.800 4.790 8.987 1.00 0.00 N ATOM 845 CA ASN A 50 3.707 3.790 10.088 1.00 0.00 C ATOM 846 C ASN A 50 2.463 2.921 9.890 1.00 0.00 C ATOM 847 O ASN A 50 2.501 1.718 10.062 1.00 0.00 O ATOM 848 CB ASN A 50 3.614 4.517 11.431 1.00 0.00 C ATOM 849 CG ASN A 50 4.786 4.096 12.320 1.00 0.00 C ATOM 850 OD1 ASN A 50 4.607 3.812 13.488 1.00 0.00 O ATOM 851 ND2 ASN A 50 5.988 4.045 11.813 1.00 0.00 N ATOM 0 H ASN A 50 3.515 5.738 9.234 1.00 0.00 H new ATOM 0 HA ASN A 50 4.595 3.157 10.077 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.631 5.596 11.275 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.669 4.281 11.920 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.777 3.767 12.397 1.00 0.00 H new ATOM 0 HD22 ASN A 50 6.139 4.283 10.833 1.00 0.00 H new ATOM 858 N ALA A 51 1.359 3.517 9.531 1.00 0.00 N ATOM 859 CA ALA A 51 0.115 2.722 9.324 1.00 0.00 C ATOM 860 C ALA A 51 0.341 1.693 8.214 1.00 0.00 C ATOM 861 O ALA A 51 -0.043 0.546 8.330 1.00 0.00 O ATOM 862 CB ALA A 51 -1.027 3.658 8.926 1.00 0.00 C ATOM 0 H ALA A 51 1.264 4.520 9.372 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.142 2.205 10.249 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.937 3.078 8.774 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.191 4.389 9.717 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.768 4.175 8.002 1.00 0.00 H new ATOM 868 N VAL A 52 0.959 2.094 7.137 1.00 0.00 N ATOM 869 CA VAL A 52 1.206 1.140 6.019 1.00 0.00 C ATOM 870 C VAL A 52 2.112 0.004 6.501 1.00 0.00 C ATOM 871 O VAL A 52 1.791 -1.159 6.366 1.00 0.00 O ATOM 872 CB VAL A 52 1.886 1.878 4.863 1.00 0.00 C ATOM 873 CG1 VAL A 52 2.166 0.898 3.721 1.00 0.00 C ATOM 874 CG2 VAL A 52 0.965 2.993 4.362 1.00 0.00 C ATOM 0 H VAL A 52 1.304 3.042 6.983 1.00 0.00 H new ATOM 0 HA VAL A 52 0.256 0.725 5.681 1.00 0.00 H new ATOM 0 HB VAL A 52 2.826 2.307 5.210 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.650 1.426 2.899 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.820 0.102 4.077 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.227 0.467 3.373 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.447 3.520 3.539 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.026 2.561 4.016 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.766 3.693 5.174 1.00 0.00 H new ATOM 884 N ARG A 53 3.244 0.333 7.060 1.00 0.00 N ATOM 885 CA ARG A 53 4.171 -0.727 7.549 1.00 0.00 C ATOM 886 C ARG A 53 3.431 -1.650 8.519 1.00 0.00 C ATOM 887 O ARG A 53 3.390 -2.851 8.339 1.00 0.00 O ATOM 888 CB ARG A 53 5.354 -0.076 8.269 1.00 0.00 C ATOM 889 CG ARG A 53 6.661 -0.524 7.613 1.00 0.00 C ATOM 890 CD ARG A 53 6.785 -2.046 7.708 1.00 0.00 C ATOM 891 NE ARG A 53 8.175 -2.452 7.360 1.00 0.00 N ATOM 892 CZ ARG A 53 8.554 -3.690 7.522 1.00 0.00 C ATOM 893 NH1 ARG A 53 8.329 -4.569 6.584 1.00 0.00 N ATOM 894 NH2 ARG A 53 9.157 -4.049 8.622 1.00 0.00 N ATOM 0 H ARG A 53 3.567 1.290 7.199 1.00 0.00 H new ATOM 0 HA ARG A 53 4.534 -1.309 6.702 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.267 1.010 8.226 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.350 -0.354 9.323 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.682 -0.211 6.569 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.509 -0.048 8.105 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.539 -2.380 8.716 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.075 -2.523 7.032 1.00 0.00 H new ATOM 0 HE ARG A 53 8.831 -1.762 6.995 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.857 -4.288 5.724 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.625 -5.537 6.710 1.00 0.00 H new ATOM 0 HH21 ARG A 53 9.332 -3.362 9.355 1.00 0.00 H new ATOM 0 HH22 ARG A 53 9.453 -5.017 8.749 1.00 0.00 H new ATOM 908 N HIS A 54 2.849 -1.100 9.549 1.00 0.00 N ATOM 909 CA HIS A 54 2.117 -1.946 10.533 1.00 0.00 C ATOM 910 C HIS A 54 1.029 -2.748 9.813 1.00 0.00 C ATOM 911 O HIS A 54 0.991 -3.960 9.881 1.00 0.00 O ATOM 912 CB HIS A 54 1.471 -1.053 11.594 1.00 0.00 C ATOM 913 CG HIS A 54 0.762 -1.910 12.606 1.00 0.00 C ATOM 914 ND1 HIS A 54 1.412 -2.446 13.707 1.00 0.00 N ATOM 915 CD2 HIS A 54 -0.541 -2.334 12.698 1.00 0.00 C ATOM 916 CE1 HIS A 54 0.509 -3.155 14.408 1.00 0.00 C ATOM 917 NE2 HIS A 54 -0.699 -3.120 13.836 1.00 0.00 N ATOM 0 H HIS A 54 2.849 -0.100 9.752 1.00 0.00 H new ATOM 0 HA HIS A 54 2.817 -2.632 11.010 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.231 -0.445 12.085 1.00 0.00 H new ATOM 0 HB3 HIS A 54 0.766 -0.366 11.126 1.00 0.00 H new ATOM 0 HD1 HIS A 54 2.397 -2.325 13.943 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -1.324 -2.094 11.994 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.732 -3.687 15.321 1.00 0.00 H new ATOM 925 N ASN A 55 0.144 -2.080 9.126 1.00 0.00 N ATOM 926 CA ASN A 55 -0.944 -2.800 8.404 1.00 0.00 C ATOM 927 C ASN A 55 -0.336 -3.832 7.446 1.00 0.00 C ATOM 928 O ASN A 55 -0.879 -4.898 7.237 1.00 0.00 O ATOM 929 CB ASN A 55 -1.771 -1.793 7.603 1.00 0.00 C ATOM 930 CG ASN A 55 -2.901 -1.249 8.480 1.00 0.00 C ATOM 931 OD1 ASN A 55 -4.079 -1.047 7.955 1.00 0.00 O flip ATOM 932 ND2 ASN A 55 -2.710 -1.005 9.654 1.00 0.00 N flip ATOM 0 H ASN A 55 0.127 -1.064 9.033 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.581 -3.310 9.127 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.136 -0.976 7.260 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.184 -2.270 6.714 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.790 -1.163 10.065 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.470 -0.642 10.230 1.00 0.00 H new ATOM 939 N LEU A 56 0.780 -3.512 6.852 1.00 0.00 N ATOM 940 CA LEU A 56 1.424 -4.455 5.889 1.00 0.00 C ATOM 941 C LEU A 56 1.764 -5.785 6.571 1.00 0.00 C ATOM 942 O LEU A 56 1.446 -6.845 6.070 1.00 0.00 O ATOM 943 CB LEU A 56 2.712 -3.820 5.352 1.00 0.00 C ATOM 944 CG LEU A 56 2.582 -3.552 3.848 1.00 0.00 C ATOM 945 CD1 LEU A 56 1.209 -2.946 3.545 1.00 0.00 C ATOM 946 CD2 LEU A 56 3.674 -2.571 3.413 1.00 0.00 C ATOM 0 H LEU A 56 1.278 -2.633 6.992 1.00 0.00 H new ATOM 0 HA LEU A 56 0.728 -4.651 5.073 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.914 -2.887 5.879 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.558 -4.481 5.539 1.00 0.00 H new ATOM 0 HG LEU A 56 2.690 -4.491 3.305 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.123 -2.758 2.475 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.428 -3.640 3.856 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.097 -2.008 4.089 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.585 -2.378 2.344 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.562 -1.636 3.961 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.654 -3.000 3.624 1.00 0.00 H new ATOM 958 N SER A 57 2.431 -5.745 7.692 1.00 0.00 N ATOM 959 CA SER A 57 2.812 -7.016 8.376 1.00 0.00 C ATOM 960 C SER A 57 1.619 -7.606 9.134 1.00 0.00 C ATOM 961 O SER A 57 1.476 -8.809 9.239 1.00 0.00 O ATOM 962 CB SER A 57 3.947 -6.738 9.361 1.00 0.00 C ATOM 963 OG SER A 57 3.402 -6.514 10.655 1.00 0.00 O ATOM 0 H SER A 57 2.728 -4.891 8.164 1.00 0.00 H new ATOM 0 HA SER A 57 3.135 -7.734 7.622 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.637 -7.581 9.386 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.518 -5.868 9.039 1.00 0.00 H new ATOM 0 HG SER A 57 4.128 -6.337 11.289 1.00 0.00 H new ATOM 969 N LEU A 58 0.770 -6.780 9.677 1.00 0.00 N ATOM 970 CA LEU A 58 -0.398 -7.310 10.441 1.00 0.00 C ATOM 971 C LEU A 58 -1.572 -7.577 9.496 1.00 0.00 C ATOM 972 O LEU A 58 -2.714 -7.607 9.909 1.00 0.00 O ATOM 973 CB LEU A 58 -0.819 -6.287 11.496 1.00 0.00 C ATOM 974 CG LEU A 58 -1.651 -6.981 12.575 1.00 0.00 C ATOM 975 CD1 LEU A 58 -0.787 -8.016 13.297 1.00 0.00 C ATOM 976 CD2 LEU A 58 -2.149 -5.941 13.581 1.00 0.00 C ATOM 0 H LEU A 58 0.832 -5.763 9.626 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.112 -8.244 10.924 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.062 -5.825 11.942 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.398 -5.488 11.033 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.504 -7.478 12.114 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.379 -8.511 14.066 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.431 -8.756 12.580 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.066 -7.519 13.759 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.742 -6.434 14.351 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.296 -5.444 14.043 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.764 -5.203 13.067 1.00 0.00 H new ATOM 988 N HIS A 59 -1.307 -7.779 8.235 1.00 0.00 N ATOM 989 CA HIS A 59 -2.417 -8.050 7.282 1.00 0.00 C ATOM 990 C HIS A 59 -2.203 -9.419 6.631 1.00 0.00 C ATOM 991 O HIS A 59 -1.148 -9.708 6.104 1.00 0.00 O ATOM 992 CB HIS A 59 -2.443 -6.966 6.202 1.00 0.00 C ATOM 993 CG HIS A 59 -3.292 -5.806 6.659 1.00 0.00 C ATOM 994 ND1 HIS A 59 -3.245 -4.465 6.361 1.00 0.00 N flip ATOM 995 CD2 HIS A 59 -4.357 -5.959 7.536 1.00 0.00 C flip ATOM 996 CE1 HIS A 59 -4.260 -3.798 7.040 1.00 0.00 C flip ATOM 997 NE2 HIS A 59 -4.899 -4.743 7.732 1.00 0.00 N flip ATOM 0 H HIS A 59 -0.373 -7.768 7.825 1.00 0.00 H new ATOM 0 HA HIS A 59 -3.366 -8.046 7.818 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -1.429 -6.625 5.992 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -2.841 -7.375 5.273 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -4.690 -6.885 7.980 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -4.483 -2.742 7.013 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -5.701 -4.565 8.336 1.00 0.00 H new ATOM 1005 N LYS A 60 -3.196 -10.265 6.670 1.00 0.00 N ATOM 1006 CA LYS A 60 -3.048 -11.617 6.060 1.00 0.00 C ATOM 1007 C LYS A 60 -3.199 -11.517 4.541 1.00 0.00 C ATOM 1008 O LYS A 60 -2.659 -12.317 3.802 1.00 0.00 O ATOM 1009 CB LYS A 60 -4.123 -12.548 6.623 1.00 0.00 C ATOM 1010 CG LYS A 60 -3.986 -12.625 8.144 1.00 0.00 C ATOM 1011 CD LYS A 60 -3.028 -13.759 8.516 1.00 0.00 C ATOM 1012 CE LYS A 60 -3.157 -14.065 10.009 1.00 0.00 C ATOM 1013 NZ LYS A 60 -2.737 -15.472 10.266 1.00 0.00 N ATOM 0 H LYS A 60 -4.103 -10.079 7.098 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.061 -12.015 6.296 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.114 -12.181 6.355 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.023 -13.542 6.187 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.613 -11.678 8.534 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -4.962 -12.796 8.599 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.256 -14.649 7.930 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.002 -13.476 8.279 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.538 -13.378 10.587 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.187 -13.916 10.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.825 -15.681 11.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.345 -16.120 9.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.748 -15.598 9.971 1.00 0.00 H new ATOM 1027 N TYR A 61 -3.924 -10.542 4.062 1.00 0.00 N ATOM 1028 CA TYR A 61 -4.096 -10.404 2.587 1.00 0.00 C ATOM 1029 C TYR A 61 -2.846 -9.754 1.987 1.00 0.00 C ATOM 1030 O TYR A 61 -2.774 -9.499 0.801 1.00 0.00 O ATOM 1031 CB TYR A 61 -5.332 -9.554 2.282 1.00 0.00 C ATOM 1032 CG TYR A 61 -5.139 -8.148 2.799 1.00 0.00 C ATOM 1033 CD1 TYR A 61 -5.390 -7.854 4.145 1.00 0.00 C ATOM 1034 CD2 TYR A 61 -4.723 -7.136 1.928 1.00 0.00 C ATOM 1035 CE1 TYR A 61 -5.222 -6.547 4.619 1.00 0.00 C ATOM 1036 CE2 TYR A 61 -4.555 -5.830 2.402 1.00 0.00 C ATOM 1037 CZ TYR A 61 -4.805 -5.535 3.748 1.00 0.00 C ATOM 1038 OH TYR A 61 -4.641 -4.248 4.213 1.00 0.00 O ATOM 0 H TYR A 61 -4.402 -9.839 4.625 1.00 0.00 H new ATOM 0 HA TYR A 61 -4.234 -11.391 2.145 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.511 -9.533 1.207 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.213 -10.001 2.743 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -5.713 -8.635 4.817 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -4.531 -7.362 0.890 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -5.414 -6.320 5.657 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -4.232 -5.049 1.729 1.00 0.00 H new ATOM 0 HH TYR A 61 -3.783 -4.176 4.681 1.00 0.00 H new ATOM 1048 N PHE A 62 -1.852 -9.501 2.798 1.00 0.00 N ATOM 1049 CA PHE A 62 -0.594 -8.889 2.284 1.00 0.00 C ATOM 1050 C PHE A 62 0.528 -9.922 2.409 1.00 0.00 C ATOM 1051 O PHE A 62 0.767 -10.460 3.471 1.00 0.00 O ATOM 1052 CB PHE A 62 -0.249 -7.652 3.118 1.00 0.00 C ATOM 1053 CG PHE A 62 -0.891 -6.430 2.504 1.00 0.00 C ATOM 1054 CD1 PHE A 62 -0.784 -6.198 1.127 1.00 0.00 C ATOM 1055 CD2 PHE A 62 -1.590 -5.527 3.313 1.00 0.00 C ATOM 1056 CE1 PHE A 62 -1.376 -5.061 0.562 1.00 0.00 C ATOM 1057 CE2 PHE A 62 -2.182 -4.392 2.747 1.00 0.00 C ATOM 1058 CZ PHE A 62 -2.074 -4.159 1.372 1.00 0.00 C ATOM 0 H PHE A 62 -1.859 -9.694 3.800 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.717 -8.591 1.243 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.598 -7.783 4.142 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.832 -7.522 3.164 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.246 -6.895 0.502 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.673 -5.706 4.375 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -1.293 -4.881 -0.500 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.722 -3.696 3.372 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.530 -3.282 0.936 1.00 0.00 H new ATOM 1068 N VAL A 63 1.209 -10.222 1.336 1.00 0.00 N ATOM 1069 CA VAL A 63 2.295 -11.238 1.417 1.00 0.00 C ATOM 1070 C VAL A 63 3.606 -10.660 0.877 1.00 0.00 C ATOM 1071 O VAL A 63 3.614 -9.760 0.062 1.00 0.00 O ATOM 1072 CB VAL A 63 1.900 -12.466 0.591 1.00 0.00 C ATOM 1073 CG1 VAL A 63 3.114 -13.377 0.407 1.00 0.00 C ATOM 1074 CG2 VAL A 63 0.795 -13.233 1.321 1.00 0.00 C ATOM 0 H VAL A 63 1.061 -9.811 0.414 1.00 0.00 H new ATOM 0 HA VAL A 63 2.439 -11.522 2.459 1.00 0.00 H new ATOM 0 HB VAL A 63 1.540 -12.144 -0.386 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.829 -14.249 -0.181 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.903 -12.832 -0.112 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.478 -13.700 1.382 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.512 -14.108 0.736 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.158 -13.552 2.298 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.073 -12.586 1.450 1.00 0.00 H new ATOM 1084 N ARG A 64 4.714 -11.185 1.327 1.00 0.00 N ATOM 1085 CA ARG A 64 6.033 -10.686 0.847 1.00 0.00 C ATOM 1086 C ARG A 64 6.717 -11.789 0.036 1.00 0.00 C ATOM 1087 O ARG A 64 6.662 -12.951 0.386 1.00 0.00 O ATOM 1088 CB ARG A 64 6.908 -10.322 2.050 1.00 0.00 C ATOM 1089 CG ARG A 64 6.959 -11.507 3.017 1.00 0.00 C ATOM 1090 CD ARG A 64 8.113 -11.316 4.003 1.00 0.00 C ATOM 1091 NE ARG A 64 7.831 -12.077 5.254 1.00 0.00 N ATOM 1092 CZ ARG A 64 8.038 -13.366 5.294 1.00 0.00 C ATOM 1093 NH1 ARG A 64 9.225 -13.828 5.575 1.00 0.00 N ATOM 1094 NH2 ARG A 64 7.056 -14.192 5.057 1.00 0.00 N ATOM 0 H ARG A 64 4.761 -11.941 2.010 1.00 0.00 H new ATOM 0 HA ARG A 64 5.890 -9.803 0.224 1.00 0.00 H new ATOM 0 HB2 ARG A 64 7.914 -10.066 1.718 1.00 0.00 H new ATOM 0 HB3 ARG A 64 6.505 -9.444 2.554 1.00 0.00 H new ATOM 0 HG2 ARG A 64 6.016 -11.589 3.557 1.00 0.00 H new ATOM 0 HG3 ARG A 64 7.091 -12.436 2.463 1.00 0.00 H new ATOM 0 HD2 ARG A 64 9.046 -11.661 3.558 1.00 0.00 H new ATOM 0 HD3 ARG A 64 8.240 -10.257 4.230 1.00 0.00 H new ATOM 0 HE ARG A 64 7.477 -11.591 6.078 1.00 0.00 H new ATOM 0 HH11 ARG A 64 9.992 -13.183 5.764 1.00 0.00 H new ATOM 0 HH12 ARG A 64 9.386 -14.835 5.606 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.127 -13.831 4.841 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.218 -15.199 5.088 1.00 0.00 H new ATOM 1108 N VAL A 65 7.363 -11.439 -1.043 1.00 0.00 N ATOM 1109 CA VAL A 65 8.043 -12.471 -1.864 1.00 0.00 C ATOM 1110 C VAL A 65 9.520 -12.106 -2.027 1.00 0.00 C ATOM 1111 O VAL A 65 9.862 -11.115 -2.641 1.00 0.00 O ATOM 1112 CB VAL A 65 7.379 -12.554 -3.240 1.00 0.00 C ATOM 1113 CG1 VAL A 65 8.253 -13.383 -4.183 1.00 0.00 C ATOM 1114 CG2 VAL A 65 6.009 -13.223 -3.101 1.00 0.00 C ATOM 0 H VAL A 65 7.447 -10.483 -1.388 1.00 0.00 H new ATOM 0 HA VAL A 65 7.963 -13.438 -1.367 1.00 0.00 H new ATOM 0 HB VAL A 65 7.259 -11.550 -3.646 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.778 -13.441 -5.162 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.231 -12.912 -4.281 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.373 -14.388 -3.778 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.533 -13.284 -4.080 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.134 -14.227 -2.695 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.384 -12.635 -2.429 1.00 0.00 H new ATOM 1124 N GLU A 66 10.399 -12.899 -1.478 1.00 0.00 N ATOM 1125 CA GLU A 66 11.853 -12.600 -1.597 1.00 0.00 C ATOM 1126 C GLU A 66 12.245 -12.536 -3.074 1.00 0.00 C ATOM 1127 O GLU A 66 12.004 -13.456 -3.831 1.00 0.00 O ATOM 1128 CB GLU A 66 12.657 -13.700 -0.901 1.00 0.00 C ATOM 1129 CG GLU A 66 13.711 -13.067 0.009 1.00 0.00 C ATOM 1130 CD GLU A 66 13.145 -12.927 1.423 1.00 0.00 C ATOM 1131 OE1 GLU A 66 12.234 -13.668 1.752 1.00 0.00 O ATOM 1132 OE2 GLU A 66 13.633 -12.080 2.155 1.00 0.00 O ATOM 0 H GLU A 66 10.172 -13.742 -0.951 1.00 0.00 H new ATOM 0 HA GLU A 66 12.066 -11.640 -1.126 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.992 -14.336 -0.317 1.00 0.00 H new ATOM 0 HB3 GLU A 66 13.138 -14.338 -1.643 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.610 -13.683 0.025 1.00 0.00 H new ATOM 0 HG3 GLU A 66 14.001 -12.090 -0.377 1.00 0.00 H new ATOM 1139 N ASN A 67 12.851 -11.458 -3.490 1.00 0.00 N ATOM 1140 CA ASN A 67 13.261 -11.335 -4.910 1.00 0.00 C ATOM 1141 C ASN A 67 14.765 -11.062 -4.980 1.00 0.00 C ATOM 1142 O ASN A 67 15.405 -10.796 -3.983 1.00 0.00 O ATOM 1143 CB ASN A 67 12.499 -10.183 -5.568 1.00 0.00 C ATOM 1144 CG ASN A 67 12.132 -10.566 -7.003 1.00 0.00 C ATOM 1145 OD1 ASN A 67 12.590 -9.950 -7.944 1.00 0.00 O ATOM 1146 ND2 ASN A 67 11.318 -11.564 -7.211 1.00 0.00 N ATOM 0 H ASN A 67 13.079 -10.656 -2.902 1.00 0.00 H new ATOM 0 HA ASN A 67 13.033 -12.262 -5.436 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.597 -9.958 -4.999 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.111 -9.281 -5.566 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.066 -11.827 -8.164 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.933 -12.082 -6.421 1.00 0.00 H new ATOM 1153 N VAL A 68 15.334 -11.130 -6.150 1.00 0.00 N ATOM 1154 CA VAL A 68 16.794 -10.879 -6.284 1.00 0.00 C ATOM 1155 C VAL A 68 17.113 -9.447 -5.847 1.00 0.00 C ATOM 1156 O VAL A 68 18.119 -9.191 -5.214 1.00 0.00 O ATOM 1157 CB VAL A 68 17.210 -11.075 -7.742 1.00 0.00 C ATOM 1158 CG1 VAL A 68 18.729 -10.937 -7.863 1.00 0.00 C ATOM 1159 CG2 VAL A 68 16.788 -12.471 -8.206 1.00 0.00 C ATOM 0 H VAL A 68 14.850 -11.349 -7.021 1.00 0.00 H new ATOM 0 HA VAL A 68 17.342 -11.577 -5.652 1.00 0.00 H new ATOM 0 HB VAL A 68 16.726 -10.321 -8.363 1.00 0.00 H new ATOM 0 HG11 VAL A 68 19.025 -11.077 -8.903 1.00 0.00 H new ATOM 0 HG12 VAL A 68 19.032 -9.944 -7.530 1.00 0.00 H new ATOM 0 HG13 VAL A 68 19.213 -11.691 -7.243 1.00 0.00 H new ATOM 0 HG21 VAL A 68 17.083 -12.614 -9.245 1.00 0.00 H new ATOM 0 HG22 VAL A 68 17.273 -13.223 -7.584 1.00 0.00 H new ATOM 0 HG23 VAL A 68 15.706 -12.572 -8.119 1.00 0.00 H new ATOM 1169 N LYS A 69 16.269 -8.508 -6.179 1.00 0.00 N ATOM 1170 CA LYS A 69 16.530 -7.101 -5.785 1.00 0.00 C ATOM 1171 C LYS A 69 15.821 -6.793 -4.464 1.00 0.00 C ATOM 1172 O LYS A 69 15.511 -5.656 -4.167 1.00 0.00 O ATOM 1173 CB LYS A 69 16.012 -6.158 -6.873 1.00 0.00 C ATOM 1174 CG LYS A 69 17.118 -5.174 -7.263 1.00 0.00 C ATOM 1175 CD LYS A 69 17.367 -4.201 -6.109 1.00 0.00 C ATOM 1176 CE LYS A 69 18.172 -3.002 -6.615 1.00 0.00 C ATOM 1177 NZ LYS A 69 17.243 -1.885 -6.947 1.00 0.00 N ATOM 0 H LYS A 69 15.409 -8.658 -6.707 1.00 0.00 H new ATOM 0 HA LYS A 69 17.603 -6.958 -5.660 1.00 0.00 H new ATOM 0 HB2 LYS A 69 15.695 -6.730 -7.745 1.00 0.00 H new ATOM 0 HB3 LYS A 69 15.138 -5.615 -6.513 1.00 0.00 H new ATOM 0 HG2 LYS A 69 18.034 -5.715 -7.500 1.00 0.00 H new ATOM 0 HG3 LYS A 69 16.831 -4.625 -8.160 1.00 0.00 H new ATOM 0 HD2 LYS A 69 16.418 -3.865 -5.692 1.00 0.00 H new ATOM 0 HD3 LYS A 69 17.908 -4.703 -5.307 1.00 0.00 H new ATOM 0 HE2 LYS A 69 18.885 -2.682 -5.855 1.00 0.00 H new ATOM 0 HE3 LYS A 69 18.749 -3.283 -7.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 17.789 -1.070 -7.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 16.579 -2.194 -7.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 16.711 -1.611 -6.096 1.00 0.00 H new ATOM 1191 N GLY A 70 15.565 -7.793 -3.666 1.00 0.00 N ATOM 1192 CA GLY A 70 14.885 -7.553 -2.370 1.00 0.00 C ATOM 1193 C GLY A 70 13.448 -8.073 -2.439 1.00 0.00 C ATOM 1194 O GLY A 70 12.834 -8.094 -3.488 1.00 0.00 O ATOM 0 H GLY A 70 15.799 -8.767 -3.859 1.00 0.00 H new ATOM 0 HA2 GLY A 70 15.425 -8.054 -1.566 1.00 0.00 H new ATOM 0 HA3 GLY A 70 14.886 -6.488 -2.139 1.00 0.00 H new ATOM 1198 N ALA A 71 12.908 -8.498 -1.329 1.00 0.00 N ATOM 1199 CA ALA A 71 11.514 -9.020 -1.331 1.00 0.00 C ATOM 1200 C ALA A 71 10.544 -7.901 -1.713 1.00 0.00 C ATOM 1201 O ALA A 71 10.881 -6.735 -1.678 1.00 0.00 O ATOM 1202 CB ALA A 71 11.163 -9.541 0.065 1.00 0.00 C ATOM 0 H ALA A 71 13.373 -8.506 -0.421 1.00 0.00 H new ATOM 0 HA ALA A 71 11.434 -9.830 -2.056 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.142 -9.923 0.065 1.00 0.00 H new ATOM 0 HB2 ALA A 71 11.850 -10.342 0.338 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.246 -8.729 0.788 1.00 0.00 H new ATOM 1208 N VAL A 72 9.339 -8.248 -2.076 1.00 0.00 N ATOM 1209 CA VAL A 72 8.345 -7.204 -2.458 1.00 0.00 C ATOM 1210 C VAL A 72 7.090 -7.355 -1.599 1.00 0.00 C ATOM 1211 O VAL A 72 6.943 -8.302 -0.853 1.00 0.00 O ATOM 1212 CB VAL A 72 7.968 -7.364 -3.934 1.00 0.00 C ATOM 1213 CG1 VAL A 72 8.937 -6.558 -4.800 1.00 0.00 C ATOM 1214 CG2 VAL A 72 8.044 -8.841 -4.327 1.00 0.00 C ATOM 0 H VAL A 72 9.000 -9.209 -2.125 1.00 0.00 H new ATOM 0 HA VAL A 72 8.782 -6.218 -2.299 1.00 0.00 H new ATOM 0 HB VAL A 72 6.952 -6.999 -4.088 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.668 -6.672 -5.850 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.882 -5.505 -4.524 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.953 -6.921 -4.644 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.775 -8.952 -5.377 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.059 -9.207 -4.171 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.352 -9.417 -3.713 1.00 0.00 H new ATOM 1224 N TRP A 73 6.179 -6.431 -1.713 1.00 0.00 N ATOM 1225 CA TRP A 73 4.926 -6.515 -0.921 1.00 0.00 C ATOM 1226 C TRP A 73 3.771 -6.799 -1.879 1.00 0.00 C ATOM 1227 O TRP A 73 3.538 -6.057 -2.811 1.00 0.00 O ATOM 1228 CB TRP A 73 4.675 -5.193 -0.192 1.00 0.00 C ATOM 1229 CG TRP A 73 5.477 -5.155 1.069 1.00 0.00 C ATOM 1230 CD1 TRP A 73 6.394 -4.208 1.377 1.00 0.00 C ATOM 1231 CD2 TRP A 73 5.450 -6.080 2.194 1.00 0.00 C ATOM 1232 NE1 TRP A 73 6.931 -4.494 2.618 1.00 0.00 N ATOM 1233 CE2 TRP A 73 6.383 -5.638 3.162 1.00 0.00 C ATOM 1234 CE3 TRP A 73 4.717 -7.249 2.466 1.00 0.00 C ATOM 1235 CZ2 TRP A 73 6.580 -6.330 4.358 1.00 0.00 C ATOM 1236 CZ3 TRP A 73 4.912 -7.948 3.669 1.00 0.00 C ATOM 1237 CH2 TRP A 73 5.843 -7.490 4.612 1.00 0.00 C ATOM 0 H TRP A 73 6.251 -5.618 -2.324 1.00 0.00 H new ATOM 0 HA TRP A 73 5.009 -7.310 -0.180 1.00 0.00 H new ATOM 0 HB2 TRP A 73 4.948 -4.355 -0.834 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.614 -5.088 0.036 1.00 0.00 H new ATOM 0 HD1 TRP A 73 6.662 -3.367 0.755 1.00 0.00 H new ATOM 0 HE1 TRP A 73 7.645 -3.928 3.076 1.00 0.00 H new ATOM 0 HE3 TRP A 73 3.999 -7.612 1.745 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 7.297 -5.972 5.082 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 4.342 -8.843 3.868 1.00 0.00 H new ATOM 0 HH2 TRP A 73 5.990 -8.033 5.534 1.00 0.00 H new ATOM 1248 N THR A 74 3.055 -7.872 -1.682 1.00 0.00 N ATOM 1249 CA THR A 74 1.950 -8.180 -2.613 1.00 0.00 C ATOM 1250 C THR A 74 0.624 -8.308 -1.865 1.00 0.00 C ATOM 1251 O THR A 74 0.586 -8.446 -0.658 1.00 0.00 O ATOM 1252 CB THR A 74 2.260 -9.484 -3.345 1.00 0.00 C ATOM 1253 OG1 THR A 74 1.142 -9.858 -4.143 1.00 0.00 O ATOM 1254 CG2 THR A 74 2.562 -10.583 -2.322 1.00 0.00 C ATOM 0 H THR A 74 3.190 -8.539 -0.922 1.00 0.00 H new ATOM 0 HA THR A 74 1.857 -7.364 -3.330 1.00 0.00 H new ATOM 0 HB THR A 74 3.128 -9.345 -3.989 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.915 -9.125 -4.752 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.783 -11.514 -2.843 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.422 -10.292 -1.718 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.696 -10.726 -1.675 1.00 0.00 H new ATOM 1262 N VAL A 75 -0.467 -8.259 -2.583 1.00 0.00 N ATOM 1263 CA VAL A 75 -1.802 -8.373 -1.932 1.00 0.00 C ATOM 1264 C VAL A 75 -2.479 -9.670 -2.382 1.00 0.00 C ATOM 1265 O VAL A 75 -2.587 -9.951 -3.560 1.00 0.00 O ATOM 1266 CB VAL A 75 -2.670 -7.180 -2.338 1.00 0.00 C ATOM 1267 CG1 VAL A 75 -3.694 -6.894 -1.239 1.00 0.00 C ATOM 1268 CG2 VAL A 75 -1.785 -5.948 -2.539 1.00 0.00 C ATOM 0 H VAL A 75 -0.489 -8.144 -3.596 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.679 -8.383 -0.849 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.189 -7.412 -3.268 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.312 -6.044 -1.529 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.327 -7.770 -1.094 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -3.175 -6.664 -0.309 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.404 -5.099 -2.828 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.265 -5.718 -1.609 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -1.055 -6.149 -3.323 1.00 0.00 H new ATOM 1278 N ASP A 76 -2.937 -10.462 -1.454 1.00 0.00 N ATOM 1279 CA ASP A 76 -3.610 -11.739 -1.822 1.00 0.00 C ATOM 1280 C ASP A 76 -5.077 -11.460 -2.161 1.00 0.00 C ATOM 1281 O ASP A 76 -5.880 -11.174 -1.295 1.00 0.00 O ATOM 1282 CB ASP A 76 -3.533 -12.713 -0.642 1.00 0.00 C ATOM 1283 CG ASP A 76 -3.734 -14.144 -1.144 1.00 0.00 C ATOM 1284 OD1 ASP A 76 -4.198 -14.298 -2.262 1.00 0.00 O ATOM 1285 OD2 ASP A 76 -3.420 -15.060 -0.403 1.00 0.00 O ATOM 0 H ASP A 76 -2.874 -10.279 -0.452 1.00 0.00 H new ATOM 0 HA ASP A 76 -3.114 -12.178 -2.688 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.567 -12.623 -0.146 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.295 -12.466 0.097 1.00 0.00 H new ATOM 1290 N GLU A 77 -5.430 -11.538 -3.415 1.00 0.00 N ATOM 1291 CA GLU A 77 -6.842 -11.273 -3.813 1.00 0.00 C ATOM 1292 C GLU A 77 -7.776 -12.250 -3.096 1.00 0.00 C ATOM 1293 O GLU A 77 -8.915 -11.938 -2.811 1.00 0.00 O ATOM 1294 CB GLU A 77 -6.987 -11.451 -5.326 1.00 0.00 C ATOM 1295 CG GLU A 77 -6.150 -10.391 -6.045 1.00 0.00 C ATOM 1296 CD GLU A 77 -5.868 -10.847 -7.478 1.00 0.00 C ATOM 1297 OE1 GLU A 77 -6.771 -11.388 -8.095 1.00 0.00 O ATOM 1298 OE2 GLU A 77 -4.754 -10.647 -7.934 1.00 0.00 O ATOM 0 H GLU A 77 -4.801 -11.774 -4.182 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.107 -10.253 -3.536 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.660 -12.449 -5.619 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.034 -11.361 -5.615 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.680 -9.438 -6.053 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.213 -10.230 -5.512 1.00 0.00 H new ATOM 1305 N VAL A 78 -7.305 -13.432 -2.804 1.00 0.00 N ATOM 1306 CA VAL A 78 -8.168 -14.424 -2.111 1.00 0.00 C ATOM 1307 C VAL A 78 -8.450 -13.948 -0.686 1.00 0.00 C ATOM 1308 O VAL A 78 -9.584 -13.753 -0.298 1.00 0.00 O ATOM 1309 CB VAL A 78 -7.456 -15.777 -2.067 1.00 0.00 C ATOM 1310 CG1 VAL A 78 -8.195 -16.715 -1.111 1.00 0.00 C ATOM 1311 CG2 VAL A 78 -7.442 -16.389 -3.469 1.00 0.00 C ATOM 0 H VAL A 78 -6.360 -13.751 -3.016 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.109 -14.527 -2.651 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.433 -15.637 -1.718 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.686 -17.679 -1.081 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -8.208 -16.280 -0.112 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.219 -16.856 -1.458 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.935 -17.353 -3.440 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.466 -16.528 -3.816 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.915 -15.722 -4.152 1.00 0.00 H new ATOM 1321 N GLU A 79 -7.424 -13.764 0.097 1.00 0.00 N ATOM 1322 CA GLU A 79 -7.629 -13.304 1.496 1.00 0.00 C ATOM 1323 C GLU A 79 -8.140 -11.862 1.492 1.00 0.00 C ATOM 1324 O GLU A 79 -8.906 -11.462 2.345 1.00 0.00 O ATOM 1325 CB GLU A 79 -6.302 -13.374 2.253 1.00 0.00 C ATOM 1326 CG GLU A 79 -6.574 -13.457 3.756 1.00 0.00 C ATOM 1327 CD GLU A 79 -6.910 -14.900 4.136 1.00 0.00 C ATOM 1328 OE1 GLU A 79 -7.810 -15.457 3.529 1.00 0.00 O ATOM 1329 OE2 GLU A 79 -6.262 -15.424 5.026 1.00 0.00 O ATOM 0 H GLU A 79 -6.452 -13.913 -0.173 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.362 -13.945 1.986 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.731 -14.244 1.928 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.698 -12.495 2.030 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.701 -13.117 4.313 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -7.400 -12.798 4.024 1.00 0.00 H new ATOM 1336 N PHE A 80 -7.718 -11.076 0.539 1.00 0.00 N ATOM 1337 CA PHE A 80 -8.174 -9.662 0.479 1.00 0.00 C ATOM 1338 C PHE A 80 -9.672 -9.615 0.165 1.00 0.00 C ATOM 1339 O PHE A 80 -10.401 -8.798 0.690 1.00 0.00 O ATOM 1340 CB PHE A 80 -7.401 -8.923 -0.615 1.00 0.00 C ATOM 1341 CG PHE A 80 -8.005 -7.555 -0.824 1.00 0.00 C ATOM 1342 CD1 PHE A 80 -7.624 -6.488 -0.003 1.00 0.00 C ATOM 1343 CD2 PHE A 80 -8.947 -7.354 -1.842 1.00 0.00 C ATOM 1344 CE1 PHE A 80 -8.183 -5.220 -0.199 1.00 0.00 C ATOM 1345 CE2 PHE A 80 -9.506 -6.086 -2.037 1.00 0.00 C ATOM 1346 CZ PHE A 80 -9.124 -5.019 -1.215 1.00 0.00 C ATOM 0 H PHE A 80 -7.075 -11.355 -0.202 1.00 0.00 H new ATOM 0 HA PHE A 80 -7.992 -9.184 1.441 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.352 -8.830 -0.334 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -7.432 -9.492 -1.544 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -6.899 -6.643 0.782 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -9.241 -8.177 -2.476 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -7.888 -4.396 0.434 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -10.232 -5.931 -2.821 1.00 0.00 H new ATOM 0 HZ PHE A 80 -9.556 -4.040 -1.365 1.00 0.00 H new ATOM 1356 N GLN A 81 -10.136 -10.480 -0.694 1.00 0.00 N ATOM 1357 CA GLN A 81 -11.584 -10.478 -1.045 1.00 0.00 C ATOM 1358 C GLN A 81 -12.380 -11.196 0.048 1.00 0.00 C ATOM 1359 O GLN A 81 -13.575 -11.016 0.179 1.00 0.00 O ATOM 1360 CB GLN A 81 -11.786 -11.201 -2.379 1.00 0.00 C ATOM 1361 CG GLN A 81 -11.084 -10.423 -3.494 1.00 0.00 C ATOM 1362 CD GLN A 81 -12.126 -9.864 -4.463 1.00 0.00 C ATOM 1363 OE1 GLN A 81 -13.294 -9.779 -4.137 1.00 0.00 O ATOM 1364 NE2 GLN A 81 -11.751 -9.476 -5.651 1.00 0.00 N ATOM 0 H GLN A 81 -9.575 -11.188 -1.168 1.00 0.00 H new ATOM 0 HA GLN A 81 -11.933 -9.449 -1.130 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -11.386 -12.213 -2.320 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -12.850 -11.291 -2.598 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.495 -9.610 -3.069 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -10.391 -11.075 -4.026 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -10.771 -9.547 -5.925 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -12.438 -9.102 -6.306 1.00 0.00 H new ATOM 1373 N LYS A 82 -11.729 -12.013 0.831 1.00 0.00 N ATOM 1374 CA LYS A 82 -12.449 -12.746 1.908 1.00 0.00 C ATOM 1375 C LYS A 82 -12.967 -11.755 2.955 1.00 0.00 C ATOM 1376 O LYS A 82 -14.136 -11.746 3.288 1.00 0.00 O ATOM 1377 CB LYS A 82 -11.496 -13.740 2.576 1.00 0.00 C ATOM 1378 CG LYS A 82 -12.180 -15.106 2.683 1.00 0.00 C ATOM 1379 CD LYS A 82 -11.124 -16.191 2.902 1.00 0.00 C ATOM 1380 CE LYS A 82 -11.135 -16.631 4.366 1.00 0.00 C ATOM 1381 NZ LYS A 82 -9.952 -17.495 4.632 1.00 0.00 N ATOM 0 H LYS A 82 -10.729 -12.204 0.770 1.00 0.00 H new ATOM 0 HA LYS A 82 -13.292 -13.283 1.473 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.577 -13.825 1.996 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -11.216 -13.383 3.567 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.891 -15.104 3.509 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -12.746 -15.313 1.775 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.325 -17.044 2.254 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -10.138 -15.812 2.633 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.116 -15.759 5.019 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -12.053 -17.175 4.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -9.892 -17.698 5.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -10.048 -18.387 4.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -9.088 -17.004 4.325 1.00 0.00 H new ATOM 1395 N ARG A 83 -12.107 -10.928 3.484 1.00 0.00 N ATOM 1396 CA ARG A 83 -12.551 -9.949 4.511 1.00 0.00 C ATOM 1397 C ARG A 83 -13.116 -8.701 3.829 1.00 0.00 C ATOM 1398 O ARG A 83 -13.571 -7.780 4.480 1.00 0.00 O ATOM 1399 CB ARG A 83 -11.362 -9.557 5.389 1.00 0.00 C ATOM 1400 CG ARG A 83 -10.276 -8.919 4.521 1.00 0.00 C ATOM 1401 CD ARG A 83 -9.287 -8.168 5.412 1.00 0.00 C ATOM 1402 NE ARG A 83 -10.036 -7.309 6.373 1.00 0.00 N ATOM 1403 CZ ARG A 83 -10.040 -6.013 6.223 1.00 0.00 C ATOM 1404 NH1 ARG A 83 -10.706 -5.471 5.240 1.00 0.00 N ATOM 1405 NH2 ARG A 83 -9.380 -5.259 7.059 1.00 0.00 N ATOM 0 H ARG A 83 -11.115 -10.890 3.248 1.00 0.00 H new ATOM 0 HA ARG A 83 -13.327 -10.403 5.128 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -11.682 -8.858 6.162 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -10.966 -10.436 5.898 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -9.756 -9.687 3.948 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -10.726 -8.235 3.802 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.659 -8.876 5.953 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -8.624 -7.556 4.801 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.545 -7.734 7.148 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -11.224 -6.061 4.588 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.709 -4.458 5.123 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -8.862 -5.683 7.828 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -9.382 -4.246 6.943 1.00 0.00 H new