USER MOD reduce.3.24.130724 H: found=0, std=0, add=957, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 954 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 104 SER OG : rot -126:sc= 1.27 USER MOD Set 1.2: A 106 HIS : no HE2:sc= -3.45! C(o=-2.2!,f=-4.3!) USER MOD Set 1.3: A 115 LYS NZ :NH3+ 180:sc= -0.0369 (180deg=0) USER MOD Set 2.1: A 79 CYS SG : rot 13:sc= -0.0929 USER MOD Set 2.2: A 88 MET CE :methyl -175:sc= -1.64 (180deg=-1.39) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.953 K(o=-0.95,f=-2.2!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.144 X(o=-0.14,f=0) USER MOD Single : A 56 ASN : amide:sc= -0.0021 K(o=-0.0021,f=-0.86) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot -62:sc= 1.23 USER MOD Single : A 68 MET CE :methyl 177:sc= 0 (180deg=-0.0126) USER MOD Single : A 72 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 173:sc= -1.05 (180deg=-1.28) USER MOD Single : A 78 SER OG : rot 82:sc= 1.29 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HE2:sc= -2.54 K(o=-2.5,f=-4.1!) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -128:sc= -0.0123 (180deg=-0.871) USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 HIS : no HD1:sc= -0.276 X(o=-0.28,f=0) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 134 HIS : no HD1:sc= -0.0809 X(o=-0.081,f=-0.021) USER MOD ----------------------------------------------------------------- ATOM 122 N GLY A 10 20.421 -21.342 14.860 1.00 0.00 N ATOM 123 CA GLY A 10 19.817 -22.495 14.201 1.00 0.00 C ATOM 124 C GLY A 10 18.312 -22.539 14.413 1.00 0.00 C ATOM 125 O GLY A 10 17.675 -23.575 14.241 1.00 0.00 O ATOM 0 HA2 GLY A 10 20.033 -22.459 13.133 1.00 0.00 H new ATOM 0 HA3 GLY A 10 20.266 -23.411 14.586 1.00 0.00 H new ATOM 129 N VAL A 11 17.741 -21.418 14.829 1.00 0.00 N ATOM 130 CA VAL A 11 16.323 -21.227 15.080 1.00 0.00 C ATOM 131 C VAL A 11 16.014 -19.747 14.815 1.00 0.00 C ATOM 132 O VAL A 11 16.945 -18.949 14.664 1.00 0.00 O ATOM 133 CB VAL A 11 15.998 -21.720 16.510 1.00 0.00 C ATOM 134 CG1 VAL A 11 16.507 -20.778 17.615 1.00 0.00 C ATOM 135 CG2 VAL A 11 14.503 -22.000 16.690 1.00 0.00 C ATOM 0 H VAL A 11 18.284 -20.574 15.009 1.00 0.00 H new ATOM 0 HA VAL A 11 15.681 -21.812 14.422 1.00 0.00 H new ATOM 0 HB VAL A 11 16.543 -22.657 16.621 1.00 0.00 H new ATOM 0 HG11 VAL A 11 16.244 -21.186 18.591 1.00 0.00 H new ATOM 0 HG12 VAL A 11 17.590 -20.683 17.542 1.00 0.00 H new ATOM 0 HG13 VAL A 11 16.048 -19.797 17.497 1.00 0.00 H new ATOM 0 HG21 VAL A 11 14.317 -22.344 17.707 1.00 0.00 H new ATOM 0 HG22 VAL A 11 13.937 -21.087 16.507 1.00 0.00 H new ATOM 0 HG23 VAL A 11 14.189 -22.769 15.984 1.00 0.00 H new ATOM 145 N SER A 12 14.740 -19.355 14.806 1.00 0.00 N ATOM 146 CA SER A 12 14.286 -17.987 14.584 1.00 0.00 C ATOM 147 C SER A 12 13.703 -17.353 15.842 1.00 0.00 C ATOM 148 O SER A 12 13.378 -16.173 15.859 1.00 0.00 O ATOM 149 CB SER A 12 13.267 -17.999 13.433 1.00 0.00 C ATOM 150 OG SER A 12 12.228 -18.924 13.740 1.00 0.00 O ATOM 0 H SER A 12 13.970 -20.007 14.959 1.00 0.00 H new ATOM 0 HA SER A 12 15.143 -17.368 14.317 1.00 0.00 H new ATOM 0 HB2 SER A 12 12.852 -17.002 13.288 1.00 0.00 H new ATOM 0 HB3 SER A 12 13.757 -18.279 12.500 1.00 0.00 H new ATOM 0 HG SER A 12 11.574 -18.935 13.010 1.00 0.00 H new ATOM 156 N GLN A 13 13.649 -18.128 16.914 1.00 0.00 N ATOM 157 CA GLN A 13 13.119 -17.783 18.224 1.00 0.00 C ATOM 158 C GLN A 13 13.701 -16.472 18.750 1.00 0.00 C ATOM 159 O GLN A 13 12.991 -15.482 18.939 1.00 0.00 O ATOM 160 CB GLN A 13 13.379 -18.956 19.185 1.00 0.00 C ATOM 161 CG GLN A 13 12.725 -18.752 20.556 1.00 0.00 C ATOM 162 CD GLN A 13 12.993 -19.928 21.487 1.00 0.00 C ATOM 163 OE1 GLN A 13 14.135 -20.200 21.847 1.00 0.00 O ATOM 164 NE2 GLN A 13 11.972 -20.677 21.876 1.00 0.00 N ATOM 0 H GLN A 13 14.000 -19.085 16.889 1.00 0.00 H new ATOM 0 HA GLN A 13 12.045 -17.617 18.144 1.00 0.00 H new ATOM 0 HB2 GLN A 13 13.001 -19.876 18.740 1.00 0.00 H new ATOM 0 HB3 GLN A 13 14.454 -19.083 19.315 1.00 0.00 H new ATOM 0 HG2 GLN A 13 13.105 -17.836 21.008 1.00 0.00 H new ATOM 0 HG3 GLN A 13 11.650 -18.624 20.431 1.00 0.00 H new ATOM 0 HE21 GLN A 13 11.026 -20.446 21.574 1.00 0.00 H new ATOM 0 HE22 GLN A 13 12.132 -21.485 22.478 1.00 0.00 H new ATOM 173 N ALA A 14 15.019 -16.484 18.955 1.00 0.00 N ATOM 174 CA ALA A 14 15.781 -15.362 19.479 1.00 0.00 C ATOM 175 C ALA A 14 15.850 -14.171 18.526 1.00 0.00 C ATOM 176 O ALA A 14 16.370 -13.124 18.905 1.00 0.00 O ATOM 177 CB ALA A 14 17.201 -15.841 19.784 1.00 0.00 C ATOM 0 H ALA A 14 15.597 -17.300 18.754 1.00 0.00 H new ATOM 0 HA ALA A 14 15.268 -15.014 20.375 1.00 0.00 H new ATOM 0 HB1 ALA A 14 17.788 -15.012 20.178 1.00 0.00 H new ATOM 0 HB2 ALA A 14 17.164 -16.643 20.522 1.00 0.00 H new ATOM 0 HB3 ALA A 14 17.665 -16.211 18.869 1.00 0.00 H new ATOM 183 N LEU A 15 15.426 -14.342 17.276 1.00 0.00 N ATOM 184 CA LEU A 15 15.436 -13.308 16.258 1.00 0.00 C ATOM 185 C LEU A 15 14.072 -12.627 16.254 1.00 0.00 C ATOM 186 O LEU A 15 13.986 -11.406 16.358 1.00 0.00 O ATOM 187 CB LEU A 15 15.844 -13.921 14.904 1.00 0.00 C ATOM 188 CG LEU A 15 17.353 -14.235 14.757 1.00 0.00 C ATOM 189 CD1 LEU A 15 18.233 -12.991 14.937 1.00 0.00 C ATOM 190 CD2 LEU A 15 17.866 -15.353 15.671 1.00 0.00 C ATOM 0 H LEU A 15 15.056 -15.231 16.939 1.00 0.00 H new ATOM 0 HA LEU A 15 16.177 -12.536 16.467 1.00 0.00 H new ATOM 0 HB2 LEU A 15 15.280 -14.842 14.754 1.00 0.00 H new ATOM 0 HB3 LEU A 15 15.552 -13.235 14.109 1.00 0.00 H new ATOM 0 HG LEU A 15 17.437 -14.595 13.732 1.00 0.00 H new ATOM 0 HD11 LEU A 15 19.281 -13.267 14.824 1.00 0.00 H new ATOM 0 HD12 LEU A 15 17.971 -12.248 14.184 1.00 0.00 H new ATOM 0 HD13 LEU A 15 18.073 -12.573 15.931 1.00 0.00 H new ATOM 0 HD21 LEU A 15 18.932 -15.503 15.499 1.00 0.00 H new ATOM 0 HD22 LEU A 15 17.702 -15.076 16.712 1.00 0.00 H new ATOM 0 HD23 LEU A 15 17.330 -16.276 15.453 1.00 0.00 H new ATOM 202 N LEU A 16 12.997 -13.416 16.192 1.00 0.00 N ATOM 203 CA LEU A 16 11.618 -12.947 16.192 1.00 0.00 C ATOM 204 C LEU A 16 11.300 -12.189 17.477 1.00 0.00 C ATOM 205 O LEU A 16 10.473 -11.281 17.435 1.00 0.00 O ATOM 206 CB LEU A 16 10.657 -14.137 16.022 1.00 0.00 C ATOM 207 CG LEU A 16 10.557 -14.647 14.572 1.00 0.00 C ATOM 208 CD1 LEU A 16 9.902 -16.029 14.547 1.00 0.00 C ATOM 209 CD2 LEU A 16 9.741 -13.683 13.698 1.00 0.00 C ATOM 0 H LEU A 16 13.070 -14.432 16.139 1.00 0.00 H new ATOM 0 HA LEU A 16 11.488 -12.262 15.354 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.987 -14.954 16.664 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.665 -13.844 16.364 1.00 0.00 H new ATOM 0 HG LEU A 16 11.568 -14.709 14.170 1.00 0.00 H new ATOM 0 HD11 LEU A 16 9.835 -16.382 13.518 1.00 0.00 H new ATOM 0 HD12 LEU A 16 10.502 -16.727 15.131 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.901 -15.965 14.974 1.00 0.00 H new ATOM 0 HD21 LEU A 16 9.688 -14.070 12.681 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.733 -13.589 14.103 1.00 0.00 H new ATOM 0 HD23 LEU A 16 10.221 -12.705 13.689 1.00 0.00 H new ATOM 221 N GLU A 17 11.942 -12.507 18.607 1.00 0.00 N ATOM 222 CA GLU A 17 11.672 -11.795 19.855 1.00 0.00 C ATOM 223 C GLU A 17 12.202 -10.352 19.831 1.00 0.00 C ATOM 224 O GLU A 17 11.738 -9.502 20.591 1.00 0.00 O ATOM 225 CB GLU A 17 12.217 -12.580 21.066 1.00 0.00 C ATOM 226 CG GLU A 17 13.713 -12.388 21.397 1.00 0.00 C ATOM 227 CD GLU A 17 14.138 -12.893 22.785 1.00 0.00 C ATOM 228 OE1 GLU A 17 13.285 -13.110 23.679 1.00 0.00 O ATOM 229 OE2 GLU A 17 15.364 -12.962 23.040 1.00 0.00 O ATOM 0 H GLU A 17 12.643 -13.244 18.680 1.00 0.00 H new ATOM 0 HA GLU A 17 10.589 -11.725 19.958 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.635 -12.300 21.944 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.040 -13.641 20.892 1.00 0.00 H new ATOM 0 HG2 GLU A 17 14.306 -12.903 20.642 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.953 -11.327 21.323 1.00 0.00 H new ATOM 236 N ARG A 18 13.181 -10.061 18.970 1.00 0.00 N ATOM 237 CA ARG A 18 13.793 -8.736 18.860 1.00 0.00 C ATOM 238 C ARG A 18 12.893 -7.719 18.184 1.00 0.00 C ATOM 239 O ARG A 18 13.008 -6.541 18.510 1.00 0.00 O ATOM 240 CB ARG A 18 15.095 -8.783 18.040 1.00 0.00 C ATOM 241 CG ARG A 18 16.139 -9.781 18.554 1.00 0.00 C ATOM 242 CD ARG A 18 17.355 -9.843 17.616 1.00 0.00 C ATOM 243 NE ARG A 18 18.203 -8.638 17.695 1.00 0.00 N ATOM 244 CZ ARG A 18 19.186 -8.427 18.582 1.00 0.00 C ATOM 245 NH1 ARG A 18 19.466 -9.309 19.529 1.00 0.00 N ATOM 246 NH2 ARG A 18 19.924 -7.328 18.538 1.00 0.00 N ATOM 0 H ARG A 18 13.574 -10.746 18.324 1.00 0.00 H new ATOM 0 HA ARG A 18 13.982 -8.433 19.890 1.00 0.00 H new ATOM 0 HB2 ARG A 18 14.850 -9.034 17.008 1.00 0.00 H new ATOM 0 HB3 ARG A 18 15.538 -7.787 18.030 1.00 0.00 H new ATOM 0 HG2 ARG A 18 16.462 -9.491 19.554 1.00 0.00 H new ATOM 0 HG3 ARG A 18 15.690 -10.771 18.638 1.00 0.00 H new ATOM 0 HD2 ARG A 18 17.954 -10.719 17.863 1.00 0.00 H new ATOM 0 HD3 ARG A 18 17.010 -9.972 16.590 1.00 0.00 H new ATOM 0 HE ARG A 18 18.025 -7.900 17.014 1.00 0.00 H new ATOM 0 HH11 ARG A 18 18.929 -10.173 19.596 1.00 0.00 H new ATOM 0 HH12 ARG A 18 20.219 -9.124 20.192 1.00 0.00 H new ATOM 0 HH21 ARG A 18 19.749 -6.624 17.821 1.00 0.00 H new ATOM 0 HH22 ARG A 18 20.667 -7.185 19.222 1.00 0.00 H new ATOM 260 N ILE A 19 12.022 -8.143 17.266 1.00 0.00 N ATOM 261 CA ILE A 19 11.133 -7.274 16.498 1.00 0.00 C ATOM 262 C ILE A 19 10.408 -6.239 17.370 1.00 0.00 C ATOM 263 O ILE A 19 10.386 -5.063 17.010 1.00 0.00 O ATOM 264 CB ILE A 19 10.172 -8.124 15.635 1.00 0.00 C ATOM 265 CG1 ILE A 19 10.896 -9.184 14.771 1.00 0.00 C ATOM 266 CG2 ILE A 19 9.288 -7.232 14.744 1.00 0.00 C ATOM 267 CD1 ILE A 19 11.928 -8.635 13.783 1.00 0.00 C ATOM 0 H ILE A 19 11.914 -9.130 17.031 1.00 0.00 H new ATOM 0 HA ILE A 19 11.747 -6.679 15.821 1.00 0.00 H new ATOM 0 HB ILE A 19 9.543 -8.666 16.341 1.00 0.00 H new ATOM 0 HG12 ILE A 19 11.394 -9.890 15.435 1.00 0.00 H new ATOM 0 HG13 ILE A 19 10.147 -9.746 14.213 1.00 0.00 H new ATOM 0 HG21 ILE A 19 8.623 -7.858 14.149 1.00 0.00 H new ATOM 0 HG22 ILE A 19 8.695 -6.566 15.371 1.00 0.00 H new ATOM 0 HG23 ILE A 19 9.919 -6.640 14.081 1.00 0.00 H new ATOM 0 HD11 ILE A 19 12.376 -9.460 13.229 1.00 0.00 H new ATOM 0 HD12 ILE A 19 11.439 -7.953 13.087 1.00 0.00 H new ATOM 0 HD13 ILE A 19 12.705 -8.100 14.329 1.00 0.00 H new ATOM 279 N ARG A 20 9.881 -6.609 18.544 1.00 0.00 N ATOM 280 CA ARG A 20 9.195 -5.652 19.423 1.00 0.00 C ATOM 281 C ARG A 20 10.099 -4.459 19.749 1.00 0.00 C ATOM 282 O ARG A 20 9.633 -3.322 19.858 1.00 0.00 O ATOM 283 CB ARG A 20 8.705 -6.406 20.667 1.00 0.00 C ATOM 284 CG ARG A 20 7.998 -5.545 21.713 1.00 0.00 C ATOM 285 CD ARG A 20 8.931 -4.996 22.794 1.00 0.00 C ATOM 286 NE ARG A 20 8.160 -4.255 23.794 1.00 0.00 N ATOM 287 CZ ARG A 20 8.579 -3.873 25.002 1.00 0.00 C ATOM 288 NH1 ARG A 20 9.820 -4.113 25.414 1.00 0.00 N ATOM 289 NH2 ARG A 20 7.732 -3.231 25.792 1.00 0.00 N ATOM 0 H ARG A 20 9.916 -7.562 18.907 1.00 0.00 H new ATOM 0 HA ARG A 20 8.326 -5.224 18.923 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.024 -7.195 20.349 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.559 -6.892 21.137 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.507 -4.711 21.212 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.215 -6.136 22.188 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.469 -5.815 23.272 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.679 -4.344 22.343 1.00 0.00 H new ATOM 0 HE ARG A 20 7.204 -4.005 23.541 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.475 -4.599 24.802 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.117 -3.811 26.342 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.783 -3.039 25.473 1.00 0.00 H new ATOM 0 HH22 ARG A 20 8.029 -2.929 26.720 1.00 0.00 H new ATOM 303 N ALA A 21 11.392 -4.710 19.954 1.00 0.00 N ATOM 304 CA ALA A 21 12.377 -3.684 20.246 1.00 0.00 C ATOM 305 C ALA A 21 12.799 -2.962 18.956 1.00 0.00 C ATOM 306 O ALA A 21 13.158 -1.786 19.012 1.00 0.00 O ATOM 307 CB ALA A 21 13.577 -4.330 20.944 1.00 0.00 C ATOM 0 H ALA A 21 11.785 -5.651 19.920 1.00 0.00 H new ATOM 0 HA ALA A 21 11.945 -2.935 20.910 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.322 -3.567 21.167 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.249 -4.799 21.872 1.00 0.00 H new ATOM 0 HB3 ALA A 21 14.015 -5.085 20.291 1.00 0.00 H new ATOM 313 N LYS A 22 12.761 -3.633 17.796 1.00 0.00 N ATOM 314 CA LYS A 22 13.130 -3.059 16.495 1.00 0.00 C ATOM 315 C LYS A 22 12.196 -1.916 16.114 1.00 0.00 C ATOM 316 O LYS A 22 12.616 -1.003 15.409 1.00 0.00 O ATOM 317 CB LYS A 22 13.101 -4.111 15.386 1.00 0.00 C ATOM 318 CG LYS A 22 14.089 -5.260 15.614 1.00 0.00 C ATOM 319 CD LYS A 22 15.503 -4.997 15.112 1.00 0.00 C ATOM 320 CE LYS A 22 16.458 -4.559 16.235 1.00 0.00 C ATOM 321 NZ LYS A 22 17.861 -4.439 15.784 1.00 0.00 N ATOM 0 H LYS A 22 12.467 -4.608 17.735 1.00 0.00 H new ATOM 0 HA LYS A 22 14.147 -2.680 16.598 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.093 -4.518 15.307 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.326 -3.631 14.434 1.00 0.00 H new ATOM 0 HG2 LYS A 22 14.132 -5.477 16.681 1.00 0.00 H new ATOM 0 HG3 LYS A 22 13.705 -6.154 15.123 1.00 0.00 H new ATOM 0 HD2 LYS A 22 15.891 -5.900 14.642 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.474 -4.225 14.343 1.00 0.00 H new ATOM 0 HE2 LYS A 22 16.127 -3.600 16.633 1.00 0.00 H new ATOM 0 HE3 LYS A 22 16.405 -5.279 17.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.458 -4.141 16.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 18.191 -5.359 15.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 17.922 -3.732 15.024 1.00 0.00 H new ATOM 335 N GLU A 23 10.954 -1.937 16.592 1.00 0.00 N ATOM 336 CA GLU A 23 10.013 -0.865 16.302 1.00 0.00 C ATOM 337 C GLU A 23 10.121 0.224 17.378 1.00 0.00 C ATOM 338 O GLU A 23 9.933 1.402 17.074 1.00 0.00 O ATOM 339 CB GLU A 23 8.580 -1.401 16.175 1.00 0.00 C ATOM 340 CG GLU A 23 8.440 -2.332 14.957 1.00 0.00 C ATOM 341 CD GLU A 23 6.985 -2.594 14.547 1.00 0.00 C ATOM 342 OE1 GLU A 23 6.080 -2.534 15.413 1.00 0.00 O ATOM 343 OE2 GLU A 23 6.736 -2.890 13.356 1.00 0.00 O ATOM 0 H GLU A 23 10.580 -2.682 17.179 1.00 0.00 H new ATOM 0 HA GLU A 23 10.268 -0.422 15.339 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.309 -1.941 17.082 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.884 -0.567 16.081 1.00 0.00 H new ATOM 0 HG2 GLU A 23 8.973 -1.895 14.113 1.00 0.00 H new ATOM 0 HG3 GLU A 23 8.923 -3.284 15.180 1.00 0.00 H new ATOM 350 N VAL A 24 10.471 -0.115 18.627 1.00 0.00 N ATOM 351 CA VAL A 24 10.571 0.882 19.695 1.00 0.00 C ATOM 352 C VAL A 24 11.759 1.826 19.495 1.00 0.00 C ATOM 353 O VAL A 24 11.669 3.021 19.773 1.00 0.00 O ATOM 354 CB VAL A 24 10.507 0.197 21.083 1.00 0.00 C ATOM 355 CG1 VAL A 24 11.861 -0.076 21.756 1.00 0.00 C ATOM 356 CG2 VAL A 24 9.637 1.010 22.041 1.00 0.00 C ATOM 0 H VAL A 24 10.688 -1.068 18.919 1.00 0.00 H new ATOM 0 HA VAL A 24 9.704 1.541 19.648 1.00 0.00 H new ATOM 0 HB VAL A 24 10.073 -0.781 20.876 1.00 0.00 H new ATOM 0 HG11 VAL A 24 11.698 -0.557 22.720 1.00 0.00 H new ATOM 0 HG12 VAL A 24 12.458 -0.730 21.121 1.00 0.00 H new ATOM 0 HG13 VAL A 24 12.390 0.866 21.905 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.603 0.514 23.011 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.059 2.008 22.158 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.627 1.088 21.638 1.00 0.00 H new ATOM 366 N GLN A 25 12.864 1.320 18.944 1.00 0.00 N ATOM 367 CA GLN A 25 14.069 2.103 18.681 1.00 0.00 C ATOM 368 C GLN A 25 13.833 3.272 17.711 1.00 0.00 C ATOM 369 O GLN A 25 14.711 4.134 17.611 1.00 0.00 O ATOM 370 CB GLN A 25 15.201 1.189 18.193 1.00 0.00 C ATOM 371 CG GLN A 25 14.776 0.410 16.948 1.00 0.00 C ATOM 372 CD GLN A 25 15.837 -0.575 16.473 1.00 0.00 C ATOM 373 OE1 GLN A 25 16.323 -1.398 17.246 1.00 0.00 O ATOM 374 NE2 GLN A 25 16.197 -0.557 15.203 1.00 0.00 N ATOM 0 H GLN A 25 12.946 0.342 18.665 1.00 0.00 H new ATOM 0 HA GLN A 25 14.365 2.559 19.626 1.00 0.00 H new ATOM 0 HB2 GLN A 25 16.085 1.786 17.969 1.00 0.00 H new ATOM 0 HB3 GLN A 25 15.479 0.493 18.985 1.00 0.00 H new ATOM 0 HG2 GLN A 25 13.855 -0.132 17.162 1.00 0.00 H new ATOM 0 HG3 GLN A 25 14.554 1.112 16.145 1.00 0.00 H new ATOM 0 HE21 GLN A 25 15.790 0.129 14.567 1.00 0.00 H new ATOM 0 HE22 GLN A 25 16.882 -1.229 14.858 1.00 0.00 H new ATOM 383 N LYS A 26 12.696 3.320 16.991 1.00 0.00 N ATOM 384 CA LYS A 26 12.373 4.418 16.073 1.00 0.00 C ATOM 385 C LYS A 26 12.376 5.729 16.858 1.00 0.00 C ATOM 386 O LYS A 26 12.756 6.757 16.319 1.00 0.00 O ATOM 387 CB LYS A 26 11.011 4.164 15.383 1.00 0.00 C ATOM 388 CG LYS A 26 10.526 5.313 14.465 1.00 0.00 C ATOM 389 CD LYS A 26 9.500 6.268 15.118 1.00 0.00 C ATOM 390 CE LYS A 26 8.066 5.718 15.013 1.00 0.00 C ATOM 391 NZ LYS A 26 7.101 6.406 15.904 1.00 0.00 N ATOM 0 H LYS A 26 11.978 2.596 17.033 1.00 0.00 H new ATOM 0 HA LYS A 26 13.122 4.480 15.283 1.00 0.00 H new ATOM 0 HB2 LYS A 26 11.083 3.251 14.792 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.257 3.988 16.151 1.00 0.00 H new ATOM 0 HG2 LYS A 26 11.391 5.894 14.144 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.082 4.881 13.568 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.757 6.417 16.167 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.552 7.244 14.635 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.725 5.810 13.982 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.075 4.655 15.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.157 5.987 15.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.404 6.298 16.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.065 7.417 15.662 1.00 0.00 H new ATOM 405 N GLN A 27 12.016 5.684 18.142 1.00 0.00 N ATOM 406 CA GLN A 27 11.971 6.832 19.033 1.00 0.00 C ATOM 407 C GLN A 27 13.325 7.536 19.163 1.00 0.00 C ATOM 408 O GLN A 27 13.364 8.721 19.499 1.00 0.00 O ATOM 409 CB GLN A 27 11.506 6.344 20.409 1.00 0.00 C ATOM 410 CG GLN A 27 10.069 5.807 20.353 1.00 0.00 C ATOM 411 CD GLN A 27 9.538 5.357 21.707 1.00 0.00 C ATOM 412 OE1 GLN A 27 8.368 5.568 22.010 1.00 0.00 O ATOM 413 NE2 GLN A 27 10.327 4.686 22.526 1.00 0.00 N ATOM 0 H GLN A 27 11.740 4.816 18.600 1.00 0.00 H new ATOM 0 HA GLN A 27 11.280 7.564 18.615 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.176 5.561 20.765 1.00 0.00 H new ATOM 0 HB3 GLN A 27 11.563 7.163 21.126 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.415 6.582 19.954 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.029 4.968 19.658 1.00 0.00 H new ATOM 0 HE21 GLN A 27 11.299 4.513 22.270 1.00 0.00 H new ATOM 0 HE22 GLN A 27 9.964 4.341 23.415 1.00 0.00 H new ATOM 422 N LEU A 28 14.441 6.837 18.930 1.00 0.00 N ATOM 423 CA LEU A 28 15.771 7.431 19.026 1.00 0.00 C ATOM 424 C LEU A 28 16.227 8.009 17.684 1.00 0.00 C ATOM 425 O LEU A 28 17.232 8.720 17.680 1.00 0.00 O ATOM 426 CB LEU A 28 16.813 6.408 19.516 1.00 0.00 C ATOM 427 CG LEU A 28 16.666 5.966 20.985 1.00 0.00 C ATOM 428 CD1 LEU A 28 15.687 4.793 21.149 1.00 0.00 C ATOM 429 CD2 LEU A 28 18.039 5.534 21.510 1.00 0.00 C ATOM 0 H LEU A 28 14.444 5.850 18.671 1.00 0.00 H new ATOM 0 HA LEU A 28 15.697 8.239 19.754 1.00 0.00 H new ATOM 0 HB2 LEU A 28 16.756 5.524 18.881 1.00 0.00 H new ATOM 0 HB3 LEU A 28 17.807 6.834 19.380 1.00 0.00 H new ATOM 0 HG LEU A 28 16.271 6.812 21.547 1.00 0.00 H new ATOM 0 HD11 LEU A 28 15.619 4.520 22.202 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.702 5.088 20.786 1.00 0.00 H new ATOM 0 HD13 LEU A 28 16.044 3.938 20.575 1.00 0.00 H new ATOM 0 HD21 LEU A 28 17.948 5.219 22.549 1.00 0.00 H new ATOM 0 HD22 LEU A 28 18.413 4.704 20.910 1.00 0.00 H new ATOM 0 HD23 LEU A 28 18.734 6.371 21.444 1.00 0.00 H new ATOM 441 N ALA A 29 15.538 7.715 16.570 1.00 0.00 N ATOM 442 CA ALA A 29 15.871 8.189 15.228 1.00 0.00 C ATOM 443 C ALA A 29 15.971 9.710 15.252 1.00 0.00 C ATOM 444 O ALA A 29 14.952 10.394 15.337 1.00 0.00 O ATOM 445 CB ALA A 29 14.838 7.693 14.207 1.00 0.00 C ATOM 0 H ALA A 29 14.708 7.122 16.585 1.00 0.00 H new ATOM 0 HA ALA A 29 16.835 7.785 14.918 1.00 0.00 H new ATOM 0 HB1 ALA A 29 15.104 8.057 13.214 1.00 0.00 H new ATOM 0 HB2 ALA A 29 14.825 6.603 14.203 1.00 0.00 H new ATOM 0 HB3 ALA A 29 13.850 8.067 14.478 1.00 0.00 H new ATOM 451 N ARG A 30 17.187 10.243 15.138 1.00 0.00 N ATOM 452 CA ARG A 30 17.465 11.672 15.177 1.00 0.00 C ATOM 453 C ARG A 30 18.297 12.049 13.963 1.00 0.00 C ATOM 454 O ARG A 30 19.332 11.431 13.728 1.00 0.00 O ATOM 455 CB ARG A 30 18.210 11.941 16.493 1.00 0.00 C ATOM 456 CG ARG A 30 18.233 13.413 16.894 1.00 0.00 C ATOM 457 CD ARG A 30 19.160 13.625 18.093 1.00 0.00 C ATOM 458 NE ARG A 30 18.915 14.934 18.714 1.00 0.00 N ATOM 459 CZ ARG A 30 19.008 15.219 20.015 1.00 0.00 C ATOM 460 NH1 ARG A 30 19.588 14.357 20.840 1.00 0.00 N ATOM 461 NH2 ARG A 30 18.521 16.359 20.483 1.00 0.00 N ATOM 0 H ARG A 30 18.025 9.675 15.013 1.00 0.00 H new ATOM 0 HA ARG A 30 16.557 12.274 15.144 1.00 0.00 H new ATOM 0 HB2 ARG A 30 17.742 11.364 17.290 1.00 0.00 H new ATOM 0 HB3 ARG A 30 19.235 11.583 16.400 1.00 0.00 H new ATOM 0 HG2 ARG A 30 18.570 14.020 16.054 1.00 0.00 H new ATOM 0 HG3 ARG A 30 17.225 13.745 17.143 1.00 0.00 H new ATOM 0 HD2 ARG A 30 19.001 12.834 18.826 1.00 0.00 H new ATOM 0 HD3 ARG A 30 20.199 13.558 17.772 1.00 0.00 H new ATOM 0 HE ARG A 30 18.649 15.697 18.092 1.00 0.00 H new ATOM 0 HH11 ARG A 30 19.962 13.479 20.480 1.00 0.00 H new ATOM 0 HH12 ARG A 30 19.660 14.572 21.834 1.00 0.00 H new ATOM 0 HH21 ARG A 30 18.074 17.021 19.849 1.00 0.00 H new ATOM 0 HH22 ARG A 30 18.593 16.574 21.477 1.00 0.00 H new ATOM 724 N GLU A 45 2.072 2.665 -4.967 1.00 0.00 N ATOM 725 CA GLU A 45 1.794 2.083 -6.269 1.00 0.00 C ATOM 726 C GLU A 45 0.824 0.899 -6.186 1.00 0.00 C ATOM 727 O GLU A 45 0.200 0.554 -7.188 1.00 0.00 O ATOM 728 CB GLU A 45 3.131 1.758 -6.965 1.00 0.00 C ATOM 729 CG GLU A 45 3.593 0.286 -6.974 1.00 0.00 C ATOM 730 CD GLU A 45 2.926 -0.535 -8.084 1.00 0.00 C ATOM 731 OE1 GLU A 45 2.902 -0.069 -9.251 1.00 0.00 O ATOM 732 OE2 GLU A 45 2.397 -1.639 -7.808 1.00 0.00 O ATOM 0 HA GLU A 45 1.265 2.807 -6.889 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.062 2.095 -7.999 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.911 2.352 -6.488 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.675 0.250 -7.101 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.370 -0.167 -6.008 1.00 0.00 H new ATOM 739 N ARG A 46 0.667 0.286 -5.007 1.00 0.00 N ATOM 740 CA ARG A 46 -0.232 -0.840 -4.793 1.00 0.00 C ATOM 741 C ARG A 46 -1.679 -0.401 -4.585 1.00 0.00 C ATOM 742 O ARG A 46 -2.517 -1.259 -4.343 1.00 0.00 O ATOM 743 CB ARG A 46 0.310 -1.743 -3.676 1.00 0.00 C ATOM 744 CG ARG A 46 1.538 -2.498 -4.202 1.00 0.00 C ATOM 745 CD ARG A 46 2.548 -2.796 -3.102 1.00 0.00 C ATOM 746 NE ARG A 46 3.750 -3.375 -3.708 1.00 0.00 N ATOM 747 CZ ARG A 46 4.049 -4.666 -3.848 1.00 0.00 C ATOM 748 NH1 ARG A 46 3.245 -5.626 -3.391 1.00 0.00 N ATOM 749 NH2 ARG A 46 5.182 -4.958 -4.471 1.00 0.00 N ATOM 0 H ARG A 46 1.171 0.567 -4.166 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.260 -1.440 -5.703 1.00 0.00 H new ATOM 0 HB2 ARG A 46 0.579 -1.146 -2.805 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.457 -2.448 -3.355 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.218 -3.433 -4.661 1.00 0.00 H new ATOM 0 HG3 ARG A 46 2.018 -1.908 -4.983 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.800 -1.882 -2.563 1.00 0.00 H new ATOM 0 HD3 ARG A 46 2.121 -3.487 -2.375 1.00 0.00 H new ATOM 0 HE ARG A 46 4.438 -2.712 -4.064 1.00 0.00 H new ATOM 0 HH11 ARG A 46 2.374 -5.381 -2.920 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.500 -6.606 -3.513 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.781 -4.209 -4.818 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.455 -5.932 -4.603 1.00 0.00 H new ATOM 763 N LEU A 47 -2.001 0.893 -4.670 1.00 0.00 N ATOM 764 CA LEU A 47 -3.365 1.415 -4.536 1.00 0.00 C ATOM 765 C LEU A 47 -4.318 0.598 -5.437 1.00 0.00 C ATOM 766 O LEU A 47 -5.266 -0.006 -4.927 1.00 0.00 O ATOM 767 CB LEU A 47 -3.377 2.920 -4.877 1.00 0.00 C ATOM 768 CG LEU A 47 -3.012 3.817 -3.681 1.00 0.00 C ATOM 769 CD1 LEU A 47 -2.591 5.211 -4.154 1.00 0.00 C ATOM 770 CD2 LEU A 47 -4.217 3.994 -2.772 1.00 0.00 C ATOM 0 H LEU A 47 -1.307 1.622 -4.837 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.715 1.311 -3.509 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.676 3.107 -5.690 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.367 3.195 -5.240 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.191 3.334 -3.151 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.338 5.827 -3.291 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.722 5.127 -4.807 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.413 5.673 -4.701 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.947 4.630 -1.929 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.030 4.458 -3.331 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.540 3.021 -2.403 1.00 0.00 H new ATOM 782 N PRO A 48 -4.094 0.514 -6.768 1.00 0.00 N ATOM 783 CA PRO A 48 -4.968 -0.278 -7.631 1.00 0.00 C ATOM 784 C PRO A 48 -4.858 -1.783 -7.324 1.00 0.00 C ATOM 785 O PRO A 48 -5.813 -2.524 -7.555 1.00 0.00 O ATOM 786 CB PRO A 48 -4.525 0.041 -9.062 1.00 0.00 C ATOM 787 CG PRO A 48 -3.057 0.444 -8.909 1.00 0.00 C ATOM 788 CD PRO A 48 -3.045 1.157 -7.560 1.00 0.00 C ATOM 0 HA PRO A 48 -6.017 -0.029 -7.473 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -4.636 -0.823 -9.717 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -5.118 0.847 -9.494 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.396 -0.423 -8.915 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -2.730 1.099 -9.717 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -2.073 1.062 -7.075 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -3.240 2.223 -7.678 1.00 0.00 H new ATOM 796 N GLU A 49 -3.698 -2.244 -6.843 1.00 0.00 N ATOM 797 CA GLU A 49 -3.410 -3.629 -6.492 1.00 0.00 C ATOM 798 C GLU A 49 -4.369 -4.107 -5.399 1.00 0.00 C ATOM 799 O GLU A 49 -5.114 -5.061 -5.636 1.00 0.00 O ATOM 800 CB GLU A 49 -1.924 -3.761 -6.094 1.00 0.00 C ATOM 801 CG GLU A 49 -1.285 -5.119 -6.382 1.00 0.00 C ATOM 802 CD GLU A 49 -1.726 -6.262 -5.482 1.00 0.00 C ATOM 803 OE1 GLU A 49 -1.480 -6.217 -4.258 1.00 0.00 O ATOM 804 OE2 GLU A 49 -2.223 -7.258 -6.058 1.00 0.00 O ATOM 0 H GLU A 49 -2.901 -1.628 -6.682 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.573 -4.279 -7.352 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.356 -2.993 -6.618 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.831 -3.554 -5.028 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.503 -5.390 -7.415 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.203 -5.015 -6.301 1.00 0.00 H new ATOM 811 N LEU A 50 -4.365 -3.438 -4.239 1.00 0.00 N ATOM 812 CA LEU A 50 -5.213 -3.753 -3.096 1.00 0.00 C ATOM 813 C LEU A 50 -6.677 -3.677 -3.524 1.00 0.00 C ATOM 814 O LEU A 50 -7.412 -4.636 -3.283 1.00 0.00 O ATOM 815 CB LEU A 50 -4.953 -2.796 -1.916 1.00 0.00 C ATOM 816 CG LEU A 50 -3.841 -3.099 -0.892 1.00 0.00 C ATOM 817 CD1 LEU A 50 -3.894 -4.540 -0.383 1.00 0.00 C ATOM 818 CD2 LEU A 50 -2.444 -2.831 -1.454 1.00 0.00 C ATOM 0 H LEU A 50 -3.752 -2.640 -4.071 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.976 -4.761 -2.756 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.742 -1.814 -2.339 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.887 -2.709 -1.360 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.028 -2.420 -0.060 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.090 -4.702 0.335 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.854 -4.720 0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.775 -5.227 -1.221 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.696 -3.060 -0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.277 -3.460 -2.329 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.362 -1.782 -1.740 1.00 0.00 H new ATOM 830 N ALA A 51 -7.103 -2.582 -4.180 1.00 0.00 N ATOM 831 CA ALA A 51 -8.479 -2.427 -4.646 1.00 0.00 C ATOM 832 C ALA A 51 -8.922 -3.654 -5.456 1.00 0.00 C ATOM 833 O ALA A 51 -9.966 -4.258 -5.180 1.00 0.00 O ATOM 834 CB ALA A 51 -8.588 -1.143 -5.472 1.00 0.00 C ATOM 0 H ALA A 51 -6.501 -1.788 -4.397 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.147 -2.351 -3.788 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -9.613 -1.022 -5.823 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -8.312 -0.288 -4.854 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -7.916 -1.203 -6.328 1.00 0.00 H new ATOM 840 N ARG A 52 -8.123 -4.047 -6.456 1.00 0.00 N ATOM 841 CA ARG A 52 -8.423 -5.209 -7.292 1.00 0.00 C ATOM 842 C ARG A 52 -8.572 -6.472 -6.453 1.00 0.00 C ATOM 843 O ARG A 52 -9.499 -7.237 -6.713 1.00 0.00 O ATOM 844 CB ARG A 52 -7.305 -5.464 -8.305 1.00 0.00 C ATOM 845 CG ARG A 52 -7.346 -4.589 -9.559 1.00 0.00 C ATOM 846 CD ARG A 52 -6.044 -4.793 -10.342 1.00 0.00 C ATOM 847 NE ARG A 52 -5.868 -6.190 -10.806 1.00 0.00 N ATOM 848 CZ ARG A 52 -5.534 -6.572 -12.045 1.00 0.00 C ATOM 849 NH1 ARG A 52 -5.424 -5.687 -13.024 1.00 0.00 N ATOM 850 NH2 ARG A 52 -5.304 -7.844 -12.339 1.00 0.00 N ATOM 0 H ARG A 52 -7.257 -3.570 -6.705 1.00 0.00 H new ATOM 0 HA ARG A 52 -9.358 -4.985 -7.805 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -6.346 -5.314 -7.809 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.345 -6.510 -8.610 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.204 -4.854 -10.177 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.462 -3.540 -9.285 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.034 -4.125 -11.203 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.199 -4.514 -9.713 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.015 -6.928 -10.118 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.595 -4.698 -12.839 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.169 -5.994 -13.963 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.380 -8.557 -11.614 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.051 -8.110 -13.291 1.00 0.00 H new ATOM 864 N VAL A 53 -7.672 -6.735 -5.508 1.00 0.00 N ATOM 865 CA VAL A 53 -7.766 -7.937 -4.691 1.00 0.00 C ATOM 866 C VAL A 53 -9.040 -7.902 -3.851 1.00 0.00 C ATOM 867 O VAL A 53 -9.774 -8.882 -3.845 1.00 0.00 O ATOM 868 CB VAL A 53 -6.498 -8.128 -3.840 1.00 0.00 C ATOM 869 CG1 VAL A 53 -6.669 -9.347 -2.920 1.00 0.00 C ATOM 870 CG2 VAL A 53 -5.274 -8.346 -4.743 1.00 0.00 C ATOM 0 H VAL A 53 -6.876 -6.135 -5.292 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.831 -8.808 -5.343 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.345 -7.231 -3.240 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.769 -9.479 -2.319 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.524 -9.190 -2.263 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -6.835 -10.239 -3.525 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.386 -8.479 -4.126 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.427 -9.235 -5.355 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.140 -7.479 -5.389 1.00 0.00 H new ATOM 880 N LEU A 54 -9.364 -6.786 -3.201 1.00 0.00 N ATOM 881 CA LEU A 54 -10.547 -6.634 -2.363 1.00 0.00 C ATOM 882 C LEU A 54 -11.794 -7.152 -3.073 1.00 0.00 C ATOM 883 O LEU A 54 -12.496 -8.049 -2.598 1.00 0.00 O ATOM 884 CB LEU A 54 -10.688 -5.154 -1.973 1.00 0.00 C ATOM 885 CG LEU A 54 -11.961 -4.936 -1.144 1.00 0.00 C ATOM 886 CD1 LEU A 54 -11.664 -3.989 0.020 1.00 0.00 C ATOM 887 CD2 LEU A 54 -13.146 -4.367 -1.931 1.00 0.00 C ATOM 0 H LEU A 54 -8.794 -5.941 -3.245 1.00 0.00 H new ATOM 0 HA LEU A 54 -10.435 -7.231 -1.458 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.816 -4.838 -1.401 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -10.721 -4.537 -2.871 1.00 0.00 H new ATOM 0 HG LEU A 54 -12.254 -5.928 -0.801 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.571 -3.837 0.606 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -10.891 -4.423 0.654 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -11.319 -3.031 -0.369 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -14.001 -4.246 -1.265 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -12.873 -3.399 -2.350 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.409 -5.051 -2.738 1.00 0.00 H new ATOM 899 N ARG A 55 -12.056 -6.583 -4.246 1.00 0.00 N ATOM 900 CA ARG A 55 -13.214 -6.980 -5.049 1.00 0.00 C ATOM 901 C ARG A 55 -13.156 -8.458 -5.425 1.00 0.00 C ATOM 902 O ARG A 55 -14.201 -9.109 -5.421 1.00 0.00 O ATOM 903 CB ARG A 55 -13.445 -6.090 -6.260 1.00 0.00 C ATOM 904 CG ARG A 55 -12.272 -5.825 -7.195 1.00 0.00 C ATOM 905 CD ARG A 55 -12.726 -5.256 -8.535 1.00 0.00 C ATOM 906 NE ARG A 55 -13.202 -6.328 -9.413 1.00 0.00 N ATOM 907 CZ ARG A 55 -13.846 -6.196 -10.569 1.00 0.00 C ATOM 908 NH1 ARG A 55 -14.244 -4.999 -10.983 1.00 0.00 N ATOM 909 NH2 ARG A 55 -14.092 -7.287 -11.275 1.00 0.00 N ATOM 0 H ARG A 55 -11.485 -5.847 -4.663 1.00 0.00 H new ATOM 0 HA ARG A 55 -14.087 -6.836 -4.412 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -14.247 -6.533 -6.850 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.808 -5.127 -5.901 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.581 -5.128 -6.721 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.725 -6.753 -7.362 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.521 -4.528 -8.377 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -11.900 -4.728 -9.011 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.019 -7.282 -9.103 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -14.056 -4.174 -10.413 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -14.737 -4.904 -11.871 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -13.790 -8.198 -10.929 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.584 -7.218 -12.166 1.00 0.00 H new ATOM 923 N ASN A 56 -11.967 -8.987 -5.743 1.00 0.00 N ATOM 924 CA ASN A 56 -11.786 -10.393 -6.101 1.00 0.00 C ATOM 925 C ASN A 56 -12.227 -11.273 -4.938 1.00 0.00 C ATOM 926 O ASN A 56 -12.932 -12.258 -5.140 1.00 0.00 O ATOM 927 CB ASN A 56 -10.325 -10.729 -6.452 1.00 0.00 C ATOM 928 CG ASN A 56 -9.832 -10.140 -7.760 1.00 0.00 C ATOM 929 OD1 ASN A 56 -10.618 -9.734 -8.614 1.00 0.00 O ATOM 930 ND2 ASN A 56 -8.523 -10.039 -7.928 1.00 0.00 N ATOM 0 H ASN A 56 -11.102 -8.446 -5.758 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.394 -10.581 -6.986 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -9.682 -10.376 -5.646 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.217 -11.813 -6.494 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.149 -9.618 -8.778 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -7.888 -10.382 -7.207 1.00 0.00 H new ATOM 937 N VAL A 57 -11.847 -10.924 -3.711 1.00 0.00 N ATOM 938 CA VAL A 57 -12.233 -11.704 -2.547 1.00 0.00 C ATOM 939 C VAL A 57 -13.751 -11.617 -2.355 1.00 0.00 C ATOM 940 O VAL A 57 -14.390 -12.647 -2.158 1.00 0.00 O ATOM 941 CB VAL A 57 -11.432 -11.260 -1.309 1.00 0.00 C ATOM 942 CG1 VAL A 57 -11.762 -12.151 -0.103 1.00 0.00 C ATOM 943 CG2 VAL A 57 -9.920 -11.333 -1.587 1.00 0.00 C ATOM 0 H VAL A 57 -11.273 -10.107 -3.502 1.00 0.00 H new ATOM 0 HA VAL A 57 -11.989 -12.755 -2.700 1.00 0.00 H new ATOM 0 HB VAL A 57 -11.710 -10.230 -1.085 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -11.186 -11.821 0.762 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -12.826 -12.080 0.121 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.508 -13.185 -0.335 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.371 -11.015 -0.700 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.645 -12.358 -1.836 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -9.671 -10.677 -2.422 1.00 0.00 H new ATOM 953 N PHE A 58 -14.360 -10.431 -2.479 1.00 0.00 N ATOM 954 CA PHE A 58 -15.804 -10.268 -2.297 1.00 0.00 C ATOM 955 C PHE A 58 -16.584 -11.104 -3.306 1.00 0.00 C ATOM 956 O PHE A 58 -17.528 -11.807 -2.941 1.00 0.00 O ATOM 957 CB PHE A 58 -16.195 -8.781 -2.351 1.00 0.00 C ATOM 958 CG PHE A 58 -16.178 -8.127 -0.982 1.00 0.00 C ATOM 959 CD1 PHE A 58 -15.021 -8.197 -0.183 1.00 0.00 C ATOM 960 CD2 PHE A 58 -17.347 -7.533 -0.463 1.00 0.00 C ATOM 961 CE1 PHE A 58 -15.054 -7.752 1.144 1.00 0.00 C ATOM 962 CE2 PHE A 58 -17.365 -7.045 0.856 1.00 0.00 C ATOM 963 CZ PHE A 58 -16.231 -7.203 1.671 1.00 0.00 C ATOM 0 H PHE A 58 -13.869 -9.566 -2.706 1.00 0.00 H new ATOM 0 HA PHE A 58 -16.070 -10.638 -1.307 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -15.509 -8.252 -3.012 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -17.191 -8.686 -2.784 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -14.105 -8.595 -0.595 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -18.230 -7.453 -1.080 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -14.172 -7.832 1.762 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -18.245 -6.552 1.240 1.00 0.00 H new ATOM 0 HZ PHE A 58 -16.267 -6.900 2.707 1.00 0.00 H new ATOM 973 N VAL A 59 -16.193 -11.052 -4.580 1.00 0.00 N ATOM 974 CA VAL A 59 -16.873 -11.829 -5.611 1.00 0.00 C ATOM 975 C VAL A 59 -16.674 -13.341 -5.387 1.00 0.00 C ATOM 976 O VAL A 59 -17.539 -14.131 -5.785 1.00 0.00 O ATOM 977 CB VAL A 59 -16.468 -11.302 -7.000 1.00 0.00 C ATOM 978 CG1 VAL A 59 -15.079 -11.703 -7.460 1.00 0.00 C ATOM 979 CG2 VAL A 59 -17.454 -11.750 -8.077 1.00 0.00 C ATOM 0 H VAL A 59 -15.416 -10.485 -4.918 1.00 0.00 H new ATOM 0 HA VAL A 59 -17.953 -11.695 -5.548 1.00 0.00 H new ATOM 0 HB VAL A 59 -16.476 -10.220 -6.872 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -14.888 -11.284 -8.448 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -14.339 -11.324 -6.755 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -15.011 -12.790 -7.508 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -17.138 -11.360 -9.045 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -17.481 -12.839 -8.115 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -18.448 -11.371 -7.841 1.00 0.00 H new ATOM 989 N SER A 60 -15.571 -13.749 -4.749 1.00 0.00 N ATOM 990 CA SER A 60 -15.250 -15.136 -4.439 1.00 0.00 C ATOM 991 C SER A 60 -16.120 -15.603 -3.268 1.00 0.00 C ATOM 992 O SER A 60 -16.650 -16.711 -3.307 1.00 0.00 O ATOM 993 CB SER A 60 -13.752 -15.257 -4.116 1.00 0.00 C ATOM 994 OG SER A 60 -13.277 -16.592 -4.199 1.00 0.00 O ATOM 0 H SER A 60 -14.857 -13.096 -4.426 1.00 0.00 H new ATOM 0 HA SER A 60 -15.460 -15.776 -5.296 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.185 -14.631 -4.805 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.569 -14.873 -3.112 1.00 0.00 H new ATOM 0 HG SER A 60 -12.321 -16.613 -3.986 1.00 0.00 H new ATOM 1000 N GLU A 61 -16.305 -14.743 -2.264 1.00 0.00 N ATOM 1001 CA GLU A 61 -17.077 -14.989 -1.046 1.00 0.00 C ATOM 1002 C GLU A 61 -18.564 -15.220 -1.328 1.00 0.00 C ATOM 1003 O GLU A 61 -19.274 -15.779 -0.493 1.00 0.00 O ATOM 1004 CB GLU A 61 -16.916 -13.779 -0.105 1.00 0.00 C ATOM 1005 CG GLU A 61 -17.137 -14.093 1.379 1.00 0.00 C ATOM 1006 CD GLU A 61 -15.988 -14.881 2.012 1.00 0.00 C ATOM 1007 OE1 GLU A 61 -15.011 -14.270 2.498 1.00 0.00 O ATOM 1008 OE2 GLU A 61 -16.107 -16.128 2.084 1.00 0.00 O ATOM 0 H GLU A 61 -15.899 -13.808 -2.281 1.00 0.00 H new ATOM 0 HA GLU A 61 -16.692 -15.899 -0.585 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -15.914 -13.368 -0.231 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -17.619 -13.003 -0.408 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -17.270 -13.159 1.924 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -18.061 -14.661 1.489 1.00 0.00 H new ATOM 1015 N ARG A 62 -19.056 -14.795 -2.500 1.00 0.00 N ATOM 1016 CA ARG A 62 -20.452 -14.929 -2.923 1.00 0.00 C ATOM 1017 C ARG A 62 -21.404 -14.069 -2.077 1.00 0.00 C ATOM 1018 O ARG A 62 -22.621 -14.236 -2.176 1.00 0.00 O ATOM 1019 CB ARG A 62 -20.837 -16.418 -3.003 1.00 0.00 C ATOM 1020 CG ARG A 62 -22.064 -16.700 -3.876 1.00 0.00 C ATOM 1021 CD ARG A 62 -22.185 -18.209 -4.041 1.00 0.00 C ATOM 1022 NE ARG A 62 -23.427 -18.567 -4.728 1.00 0.00 N ATOM 1023 CZ ARG A 62 -23.790 -19.792 -5.106 1.00 0.00 C ATOM 1024 NH1 ARG A 62 -22.973 -20.826 -4.927 1.00 0.00 N ATOM 1025 NH2 ARG A 62 -24.977 -19.961 -5.668 1.00 0.00 N ATOM 0 H ARG A 62 -18.473 -14.335 -3.199 1.00 0.00 H new ATOM 0 HA ARG A 62 -20.559 -14.525 -3.930 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -19.989 -16.981 -3.393 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -21.028 -16.788 -1.996 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -22.963 -16.294 -3.413 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -21.960 -16.217 -4.848 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -21.332 -18.586 -4.606 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -22.156 -18.688 -3.062 1.00 0.00 H new ATOM 0 HE ARG A 62 -24.075 -17.808 -4.937 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -22.059 -20.685 -4.497 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -23.260 -21.760 -5.220 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -25.595 -19.161 -5.805 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -25.273 -20.891 -5.964 1.00 0.00 H new ATOM 1039 N LYS A 63 -20.908 -13.167 -1.224 1.00 0.00 N ATOM 1040 CA LYS A 63 -21.732 -12.294 -0.391 1.00 0.00 C ATOM 1041 C LYS A 63 -21.154 -10.885 -0.452 1.00 0.00 C ATOM 1042 O LYS A 63 -19.963 -10.718 -0.202 1.00 0.00 O ATOM 1043 CB LYS A 63 -21.927 -12.837 1.038 1.00 0.00 C ATOM 1044 CG LYS A 63 -20.646 -13.286 1.761 1.00 0.00 C ATOM 1045 CD LYS A 63 -20.883 -13.844 3.174 1.00 0.00 C ATOM 1046 CE LYS A 63 -21.811 -15.063 3.115 1.00 0.00 C ATOM 1047 NZ LYS A 63 -21.916 -15.808 4.385 1.00 0.00 N ATOM 0 H LYS A 63 -19.907 -13.023 -1.093 1.00 0.00 H new ATOM 0 HA LYS A 63 -22.748 -12.262 -0.785 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -22.409 -12.065 1.638 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -22.614 -13.683 0.995 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -20.151 -14.048 1.160 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -19.963 -12.439 1.827 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -19.932 -14.124 3.626 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -21.323 -13.074 3.808 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -22.806 -14.733 2.817 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -21.454 -15.740 2.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -22.560 -16.615 4.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -20.976 -16.155 4.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -22.286 -15.180 5.126 1.00 0.00 H new ATOM 1061 N PRO A 64 -21.958 -9.862 -0.794 1.00 0.00 N ATOM 1062 CA PRO A 64 -21.484 -8.486 -0.881 1.00 0.00 C ATOM 1063 C PRO A 64 -21.317 -7.831 0.495 1.00 0.00 C ATOM 1064 O PRO A 64 -20.793 -6.720 0.568 1.00 0.00 O ATOM 1065 CB PRO A 64 -22.554 -7.765 -1.705 1.00 0.00 C ATOM 1066 CG PRO A 64 -23.839 -8.479 -1.298 1.00 0.00 C ATOM 1067 CD PRO A 64 -23.380 -9.925 -1.118 1.00 0.00 C ATOM 0 HA PRO A 64 -20.494 -8.437 -1.334 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -22.593 -6.701 -1.473 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -22.366 -7.851 -2.775 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -24.255 -8.069 -0.378 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -24.610 -8.392 -2.063 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -23.940 -10.415 -0.321 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -23.547 -10.503 -2.027 1.00 0.00 H new ATOM 1075 N ALA A 65 -21.782 -8.480 1.571 1.00 0.00 N ATOM 1076 CA ALA A 65 -21.705 -7.991 2.939 1.00 0.00 C ATOM 1077 C ALA A 65 -20.902 -8.984 3.764 1.00 0.00 C ATOM 1078 O ALA A 65 -21.206 -10.181 3.744 1.00 0.00 O ATOM 1079 CB ALA A 65 -23.113 -7.805 3.509 1.00 0.00 C ATOM 0 H ALA A 65 -22.236 -9.391 1.502 1.00 0.00 H new ATOM 0 HA ALA A 65 -21.208 -7.021 2.967 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -23.045 -7.439 4.533 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -23.659 -7.084 2.901 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -23.639 -8.760 3.499 1.00 0.00 H new ATOM 1085 N LEU A 66 -19.891 -8.484 4.473 1.00 0.00 N ATOM 1086 CA LEU A 66 -18.984 -9.255 5.319 1.00 0.00 C ATOM 1087 C LEU A 66 -18.883 -8.590 6.685 1.00 0.00 C ATOM 1088 O LEU A 66 -19.011 -7.366 6.773 1.00 0.00 O ATOM 1089 CB LEU A 66 -17.565 -9.204 4.707 1.00 0.00 C ATOM 1090 CG LEU A 66 -17.179 -10.287 3.690 1.00 0.00 C ATOM 1091 CD1 LEU A 66 -17.279 -11.669 4.329 1.00 0.00 C ATOM 1092 CD2 LEU A 66 -17.988 -10.248 2.393 1.00 0.00 C ATOM 0 H LEU A 66 -19.673 -7.488 4.473 1.00 0.00 H new ATOM 0 HA LEU A 66 -19.356 -10.277 5.399 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -17.444 -8.234 4.224 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -16.847 -9.244 5.526 1.00 0.00 H new ATOM 0 HG LEU A 66 -16.148 -10.074 3.406 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -17.003 -12.429 3.598 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -16.604 -11.725 5.183 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -18.302 -11.842 4.663 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -17.652 -11.046 1.730 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -19.045 -10.385 2.619 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -17.844 -9.285 1.903 1.00 0.00 H new ATOM 1104 N THR A 67 -18.644 -9.365 7.740 1.00 0.00 N ATOM 1105 CA THR A 67 -18.479 -8.799 9.071 1.00 0.00 C ATOM 1106 C THR A 67 -17.077 -8.165 9.104 1.00 0.00 C ATOM 1107 O THR A 67 -16.197 -8.589 8.346 1.00 0.00 O ATOM 1108 CB THR A 67 -18.651 -9.876 10.152 1.00 0.00 C ATOM 1109 OG1 THR A 67 -19.628 -10.851 9.823 1.00 0.00 O ATOM 1110 CG2 THR A 67 -19.069 -9.197 11.450 1.00 0.00 C ATOM 0 H THR A 67 -18.561 -10.381 7.697 1.00 0.00 H new ATOM 0 HA THR A 67 -19.239 -8.047 9.281 1.00 0.00 H new ATOM 0 HB THR A 67 -17.696 -10.392 10.246 1.00 0.00 H new ATOM 0 HG1 THR A 67 -20.505 -10.421 9.740 1.00 0.00 H new ATOM 0 HG21 THR A 67 -19.196 -9.948 12.229 1.00 0.00 H new ATOM 0 HG22 THR A 67 -18.300 -8.486 11.753 1.00 0.00 H new ATOM 0 HG23 THR A 67 -20.011 -8.670 11.298 1.00 0.00 H new ATOM 1118 N MET A 68 -16.851 -7.166 9.963 1.00 0.00 N ATOM 1119 CA MET A 68 -15.561 -6.481 10.085 1.00 0.00 C ATOM 1120 C MET A 68 -14.445 -7.495 10.370 1.00 0.00 C ATOM 1121 O MET A 68 -13.422 -7.500 9.691 1.00 0.00 O ATOM 1122 CB MET A 68 -15.636 -5.363 11.146 1.00 0.00 C ATOM 1123 CG MET A 68 -14.342 -4.541 11.212 1.00 0.00 C ATOM 1124 SD MET A 68 -13.860 -3.745 9.648 1.00 0.00 S ATOM 1125 CE MET A 68 -15.144 -2.467 9.515 1.00 0.00 C ATOM 0 H MET A 68 -17.564 -6.807 10.598 1.00 0.00 H new ATOM 0 HA MET A 68 -15.320 -5.997 9.138 1.00 0.00 H new ATOM 0 HB2 MET A 68 -16.473 -4.703 10.918 1.00 0.00 H new ATOM 0 HB3 MET A 68 -15.835 -5.804 12.123 1.00 0.00 H new ATOM 0 HG2 MET A 68 -14.456 -3.771 11.975 1.00 0.00 H new ATOM 0 HG3 MET A 68 -13.531 -5.193 11.536 1.00 0.00 H new ATOM 0 HE1 MET A 68 -14.958 -1.855 8.632 1.00 0.00 H new ATOM 0 HE2 MET A 68 -16.122 -2.941 9.428 1.00 0.00 H new ATOM 0 HE3 MET A 68 -15.124 -1.837 10.404 1.00 0.00 H new ATOM 1135 N GLU A 69 -14.684 -8.427 11.288 1.00 0.00 N ATOM 1136 CA GLU A 69 -13.738 -9.468 11.686 1.00 0.00 C ATOM 1137 C GLU A 69 -13.371 -10.368 10.501 1.00 0.00 C ATOM 1138 O GLU A 69 -12.193 -10.667 10.280 1.00 0.00 O ATOM 1139 CB GLU A 69 -14.382 -10.230 12.853 1.00 0.00 C ATOM 1140 CG GLU A 69 -13.636 -11.487 13.319 1.00 0.00 C ATOM 1141 CD GLU A 69 -14.096 -11.952 14.709 1.00 0.00 C ATOM 1142 OE1 GLU A 69 -14.226 -11.084 15.612 1.00 0.00 O ATOM 1143 OE2 GLU A 69 -14.184 -13.175 14.954 1.00 0.00 O ATOM 0 H GLU A 69 -15.569 -8.481 11.792 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.790 -9.042 12.013 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -14.475 -9.550 13.700 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -15.393 -10.516 12.562 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.794 -12.289 12.598 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.565 -11.285 13.341 1.00 0.00 H new ATOM 1150 N VAL A 70 -14.373 -10.770 9.715 1.00 0.00 N ATOM 1151 CA VAL A 70 -14.153 -11.624 8.556 1.00 0.00 C ATOM 1152 C VAL A 70 -13.289 -10.883 7.533 1.00 0.00 C ATOM 1153 O VAL A 70 -12.264 -11.427 7.117 1.00 0.00 O ATOM 1154 CB VAL A 70 -15.484 -12.125 7.958 1.00 0.00 C ATOM 1155 CG1 VAL A 70 -15.212 -13.113 6.812 1.00 0.00 C ATOM 1156 CG2 VAL A 70 -16.324 -12.861 9.009 1.00 0.00 C ATOM 0 H VAL A 70 -15.349 -10.513 9.866 1.00 0.00 H new ATOM 0 HA VAL A 70 -13.614 -12.519 8.868 1.00 0.00 H new ATOM 0 HB VAL A 70 -16.024 -11.249 7.598 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -16.159 -13.460 6.398 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -14.635 -12.616 6.032 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -14.649 -13.965 7.192 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -17.255 -13.202 8.557 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -15.767 -13.720 9.384 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -16.547 -12.185 9.835 1.00 0.00 H new ATOM 1166 N VAL A 71 -13.681 -9.669 7.115 1.00 0.00 N ATOM 1167 CA VAL A 71 -12.908 -8.905 6.132 1.00 0.00 C ATOM 1168 C VAL A 71 -11.507 -8.577 6.677 1.00 0.00 C ATOM 1169 O VAL A 71 -10.566 -8.408 5.895 1.00 0.00 O ATOM 1170 CB VAL A 71 -13.708 -7.689 5.610 1.00 0.00 C ATOM 1171 CG1 VAL A 71 -13.934 -6.572 6.630 1.00 0.00 C ATOM 1172 CG2 VAL A 71 -13.065 -7.076 4.361 1.00 0.00 C ATOM 0 H VAL A 71 -14.525 -9.200 7.443 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.735 -9.520 5.249 1.00 0.00 H new ATOM 0 HB VAL A 71 -14.684 -8.114 5.376 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -14.504 -5.766 6.167 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -14.488 -6.965 7.483 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.972 -6.188 6.968 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.658 -6.225 4.027 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -12.054 -6.743 4.598 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.024 -7.823 3.569 1.00 0.00 H new ATOM 1182 N CYS A 72 -11.352 -8.516 8.003 1.00 0.00 N ATOM 1183 CA CYS A 72 -10.099 -8.236 8.683 1.00 0.00 C ATOM 1184 C CYS A 72 -9.114 -9.332 8.285 1.00 0.00 C ATOM 1185 O CYS A 72 -8.212 -9.082 7.483 1.00 0.00 O ATOM 1186 CB CYS A 72 -10.275 -8.092 10.206 1.00 0.00 C ATOM 1187 SG CYS A 72 -8.741 -7.455 10.934 1.00 0.00 S ATOM 0 H CYS A 72 -12.127 -8.667 8.649 1.00 0.00 H new ATOM 0 HA CYS A 72 -9.706 -7.267 8.374 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -11.102 -7.417 10.425 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -10.526 -9.057 10.647 1.00 0.00 H new ATOM 0 HG CYS A 72 -8.890 -7.331 12.220 1.00 0.00 H new ATOM 1193 N ALA A 73 -9.323 -10.553 8.787 1.00 0.00 N ATOM 1194 CA ALA A 73 -8.462 -11.706 8.521 1.00 0.00 C ATOM 1195 C ALA A 73 -8.282 -12.000 7.023 1.00 0.00 C ATOM 1196 O ALA A 73 -7.244 -12.504 6.589 1.00 0.00 O ATOM 1197 CB ALA A 73 -9.078 -12.921 9.224 1.00 0.00 C ATOM 0 H ALA A 73 -10.109 -10.770 9.400 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.466 -11.482 8.902 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.457 -13.799 9.044 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.135 -12.731 10.296 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.080 -13.099 8.833 1.00 0.00 H new ATOM 1203 N ARG A 74 -9.306 -11.695 6.230 1.00 0.00 N ATOM 1204 CA ARG A 74 -9.343 -11.910 4.783 1.00 0.00 C ATOM 1205 C ARG A 74 -8.421 -10.958 4.033 1.00 0.00 C ATOM 1206 O ARG A 74 -7.922 -11.334 2.971 1.00 0.00 O ATOM 1207 CB ARG A 74 -10.786 -11.704 4.288 1.00 0.00 C ATOM 1208 CG ARG A 74 -11.707 -12.916 4.514 1.00 0.00 C ATOM 1209 CD ARG A 74 -11.684 -13.919 3.351 1.00 0.00 C ATOM 1210 NE ARG A 74 -12.509 -15.105 3.650 1.00 0.00 N ATOM 1211 CZ ARG A 74 -12.091 -16.208 4.289 1.00 0.00 C ATOM 1212 NH1 ARG A 74 -10.796 -16.401 4.510 1.00 0.00 N ATOM 1213 NH2 ARG A 74 -12.951 -17.115 4.728 1.00 0.00 N ATOM 0 H ARG A 74 -10.164 -11.276 6.589 1.00 0.00 H new ATOM 0 HA ARG A 74 -8.999 -12.926 4.587 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -11.212 -10.838 4.794 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -10.764 -11.472 3.223 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -11.408 -13.425 5.430 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -12.728 -12.565 4.663 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -12.051 -13.437 2.445 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.657 -14.228 3.154 1.00 0.00 H new ATOM 0 HE ARG A 74 -13.482 -15.085 3.344 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -10.116 -15.710 4.194 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -10.481 -17.241 4.996 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -13.952 -16.982 4.582 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -12.612 -17.947 5.212 1.00 0.00 H new ATOM 1227 N MET A 75 -8.211 -9.738 4.520 1.00 0.00 N ATOM 1228 CA MET A 75 -7.361 -8.759 3.845 1.00 0.00 C ATOM 1229 C MET A 75 -5.920 -8.927 4.300 1.00 0.00 C ATOM 1230 O MET A 75 -5.009 -8.713 3.511 1.00 0.00 O ATOM 1231 CB MET A 75 -7.868 -7.340 4.117 1.00 0.00 C ATOM 1232 CG MET A 75 -7.645 -6.345 2.971 1.00 0.00 C ATOM 1233 SD MET A 75 -8.704 -6.465 1.500 1.00 0.00 S ATOM 1234 CE MET A 75 -10.355 -6.444 2.255 1.00 0.00 C ATOM 0 H MET A 75 -8.623 -9.400 5.390 1.00 0.00 H new ATOM 0 HA MET A 75 -7.401 -8.927 2.769 1.00 0.00 H new ATOM 0 HB2 MET A 75 -8.935 -7.387 4.336 1.00 0.00 H new ATOM 0 HB3 MET A 75 -7.375 -6.959 5.011 1.00 0.00 H new ATOM 0 HG2 MET A 75 -7.756 -5.340 3.378 1.00 0.00 H new ATOM 0 HG3 MET A 75 -6.610 -6.443 2.643 1.00 0.00 H new ATOM 0 HE1 MET A 75 -11.112 -6.386 1.473 1.00 0.00 H new ATOM 0 HE2 MET A 75 -10.502 -7.355 2.835 1.00 0.00 H new ATOM 0 HE3 MET A 75 -10.444 -5.578 2.911 1.00 0.00 H new ATOM 1244 N VAL A 76 -5.705 -9.324 5.555 1.00 0.00 N ATOM 1245 CA VAL A 76 -4.367 -9.537 6.087 1.00 0.00 C ATOM 1246 C VAL A 76 -3.724 -10.672 5.289 1.00 0.00 C ATOM 1247 O VAL A 76 -2.617 -10.525 4.772 1.00 0.00 O ATOM 1248 CB VAL A 76 -4.462 -9.877 7.590 1.00 0.00 C ATOM 1249 CG1 VAL A 76 -3.098 -10.208 8.204 1.00 0.00 C ATOM 1250 CG2 VAL A 76 -5.077 -8.719 8.385 1.00 0.00 C ATOM 0 H VAL A 76 -6.452 -9.505 6.225 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.752 -8.642 5.992 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.101 -10.758 7.653 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.222 -10.440 9.262 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.668 -11.069 7.692 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.433 -9.351 8.095 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.130 -8.989 9.440 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.458 -7.829 8.269 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -6.080 -8.514 8.012 1.00 0.00 H new ATOM 1260 N ASP A 77 -4.446 -11.787 5.141 1.00 0.00 N ATOM 1261 CA ASP A 77 -3.908 -12.948 4.415 1.00 0.00 C ATOM 1262 C ASP A 77 -3.810 -12.710 2.907 1.00 0.00 C ATOM 1263 O ASP A 77 -3.113 -13.450 2.216 1.00 0.00 O ATOM 1264 CB ASP A 77 -4.748 -14.175 4.728 1.00 0.00 C ATOM 1265 CG ASP A 77 -4.175 -15.488 4.179 1.00 0.00 C ATOM 1266 OD1 ASP A 77 -3.185 -16.030 4.719 1.00 0.00 O ATOM 1267 OD2 ASP A 77 -4.808 -16.081 3.273 1.00 0.00 O ATOM 0 H ASP A 77 -5.390 -11.913 5.507 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.886 -13.112 4.757 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.854 -14.262 5.809 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.748 -14.030 4.320 1.00 0.00 H new ATOM 1272 N SER A 78 -4.505 -11.690 2.384 1.00 0.00 N ATOM 1273 CA SER A 78 -4.449 -11.351 0.964 1.00 0.00 C ATOM 1274 C SER A 78 -3.057 -10.822 0.605 1.00 0.00 C ATOM 1275 O SER A 78 -2.712 -10.764 -0.577 1.00 0.00 O ATOM 1276 CB SER A 78 -5.468 -10.254 0.625 1.00 0.00 C ATOM 1277 OG SER A 78 -6.794 -10.764 0.625 1.00 0.00 O ATOM 0 H SER A 78 -5.116 -11.084 2.932 1.00 0.00 H new ATOM 0 HA SER A 78 -4.675 -12.256 0.399 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.388 -9.444 1.349 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.239 -9.831 -0.353 1.00 0.00 H new ATOM 0 HG SER A 78 -7.133 -10.794 1.544 1.00 0.00 H new ATOM 1283 N CYS A 79 -2.279 -10.410 1.608 1.00 0.00 N ATOM 1284 CA CYS A 79 -0.947 -9.868 1.456 1.00 0.00 C ATOM 1285 C CYS A 79 0.021 -10.551 2.404 1.00 0.00 C ATOM 1286 O CYS A 79 0.705 -9.916 3.208 1.00 0.00 O ATOM 1287 CB CYS A 79 -0.970 -8.363 1.617 1.00 0.00 C ATOM 1288 SG CYS A 79 -1.705 -7.548 0.175 1.00 0.00 S ATOM 0 H CYS A 79 -2.580 -10.451 2.582 1.00 0.00 H new ATOM 0 HA CYS A 79 -0.587 -10.072 0.448 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.536 -8.101 2.511 1.00 0.00 H new ATOM 0 HB3 CYS A 79 0.046 -7.997 1.764 1.00 0.00 H new ATOM 0 HG CYS A 79 -2.303 -8.433 -0.566 1.00 0.00 H new ATOM 1294 N GLN A 80 0.108 -11.861 2.237 1.00 0.00 N ATOM 1295 CA GLN A 80 0.980 -12.785 2.943 1.00 0.00 C ATOM 1296 C GLN A 80 2.394 -12.599 2.338 1.00 0.00 C ATOM 1297 O GLN A 80 3.014 -13.549 1.855 1.00 0.00 O ATOM 1298 CB GLN A 80 0.392 -14.203 2.758 1.00 0.00 C ATOM 1299 CG GLN A 80 0.026 -14.586 1.304 1.00 0.00 C ATOM 1300 CD GLN A 80 -0.404 -16.044 1.150 1.00 0.00 C ATOM 1301 OE1 GLN A 80 -0.740 -16.736 2.111 1.00 0.00 O ATOM 1302 NE2 GLN A 80 -0.402 -16.565 -0.065 1.00 0.00 N ATOM 0 H GLN A 80 -0.474 -12.342 1.552 1.00 0.00 H new ATOM 0 HA GLN A 80 1.053 -12.611 4.017 1.00 0.00 H new ATOM 0 HB2 GLN A 80 1.112 -14.929 3.136 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -0.503 -14.290 3.375 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -0.780 -13.939 0.958 1.00 0.00 H new ATOM 0 HG3 GLN A 80 0.885 -14.398 0.660 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -0.124 -15.995 -0.864 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -0.678 -17.537 -0.204 1.00 0.00 H new ATOM 1311 N THR A 81 2.878 -11.352 2.294 1.00 0.00 N ATOM 1312 CA THR A 81 4.138 -10.908 1.741 1.00 0.00 C ATOM 1313 C THR A 81 5.058 -10.503 2.889 1.00 0.00 C ATOM 1314 O THR A 81 5.768 -11.366 3.405 1.00 0.00 O ATOM 1315 CB THR A 81 3.839 -9.856 0.635 1.00 0.00 C ATOM 1316 OG1 THR A 81 5.019 -9.410 -0.004 1.00 0.00 O ATOM 1317 CG2 THR A 81 3.063 -8.584 0.997 1.00 0.00 C ATOM 0 H THR A 81 2.345 -10.572 2.679 1.00 0.00 H new ATOM 0 HA THR A 81 4.701 -11.684 1.223 1.00 0.00 H new ATOM 0 HB THR A 81 3.177 -10.451 0.006 1.00 0.00 H new ATOM 0 HG1 THR A 81 4.789 -8.752 -0.693 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.945 -7.964 0.108 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.081 -8.855 1.384 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.611 -8.027 1.757 1.00 0.00 H new ATOM 1325 N ALA A 82 5.046 -9.234 3.310 1.00 0.00 N ATOM 1326 CA ALA A 82 5.865 -8.693 4.384 1.00 0.00 C ATOM 1327 C ALA A 82 5.394 -7.279 4.758 1.00 0.00 C ATOM 1328 O ALA A 82 6.192 -6.337 4.775 1.00 0.00 O ATOM 1329 CB ALA A 82 7.331 -8.700 3.932 1.00 0.00 C ATOM 0 H ALA A 82 4.437 -8.532 2.890 1.00 0.00 H new ATOM 0 HA ALA A 82 5.767 -9.309 5.278 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.959 -8.297 4.727 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.638 -9.722 3.710 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.439 -8.086 3.038 1.00 0.00 H new ATOM 1335 N LEU A 83 4.092 -7.109 5.005 1.00 0.00 N ATOM 1336 CA LEU A 83 3.485 -5.828 5.381 1.00 0.00 C ATOM 1337 C LEU A 83 2.783 -5.935 6.738 1.00 0.00 C ATOM 1338 O LEU A 83 2.592 -7.041 7.258 1.00 0.00 O ATOM 1339 CB LEU A 83 2.581 -5.281 4.259 1.00 0.00 C ATOM 1340 CG LEU A 83 1.566 -6.230 3.577 1.00 0.00 C ATOM 1341 CD1 LEU A 83 0.607 -6.928 4.543 1.00 0.00 C ATOM 1342 CD2 LEU A 83 0.793 -5.391 2.551 1.00 0.00 C ATOM 0 H LEU A 83 3.417 -7.872 4.948 1.00 0.00 H new ATOM 0 HA LEU A 83 4.277 -5.089 5.504 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.020 -4.441 4.669 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.230 -4.881 3.480 1.00 0.00 H new ATOM 0 HG LEU A 83 2.117 -7.046 3.109 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.069 -7.573 3.982 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.177 -7.529 5.251 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.028 -6.180 5.085 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.062 -6.020 2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.278 -4.577 3.061 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.488 -4.979 1.820 1.00 0.00 H new ATOM 1354 N SER A 84 2.427 -4.795 7.333 1.00 0.00 N ATOM 1355 CA SER A 84 1.753 -4.722 8.619 1.00 0.00 C ATOM 1356 C SER A 84 0.235 -4.579 8.412 1.00 0.00 C ATOM 1357 O SER A 84 -0.194 -3.990 7.417 1.00 0.00 O ATOM 1358 CB SER A 84 2.360 -3.555 9.405 1.00 0.00 C ATOM 1359 OG SER A 84 3.726 -3.841 9.676 1.00 0.00 O ATOM 0 H SER A 84 2.606 -3.880 6.920 1.00 0.00 H new ATOM 0 HA SER A 84 1.897 -5.636 9.194 1.00 0.00 H new ATOM 0 HB2 SER A 84 2.275 -2.631 8.833 1.00 0.00 H new ATOM 0 HB3 SER A 84 1.815 -3.404 10.337 1.00 0.00 H new ATOM 0 HG SER A 84 4.123 -3.098 10.177 1.00 0.00 H new ATOM 1365 N PRO A 85 -0.600 -5.051 9.358 1.00 0.00 N ATOM 1366 CA PRO A 85 -2.055 -4.980 9.237 1.00 0.00 C ATOM 1367 C PRO A 85 -2.600 -3.550 9.215 1.00 0.00 C ATOM 1368 O PRO A 85 -3.671 -3.326 8.640 1.00 0.00 O ATOM 1369 CB PRO A 85 -2.609 -5.774 10.424 1.00 0.00 C ATOM 1370 CG PRO A 85 -1.482 -5.730 11.451 1.00 0.00 C ATOM 1371 CD PRO A 85 -0.229 -5.752 10.579 1.00 0.00 C ATOM 0 HA PRO A 85 -2.370 -5.397 8.280 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -3.523 -5.325 10.814 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -2.852 -6.798 10.141 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.531 -4.832 12.067 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -1.518 -6.583 12.128 1.00 0.00 H new ATOM 0 HD2 PRO A 85 0.606 -5.260 11.077 1.00 0.00 H new ATOM 0 HD3 PRO A 85 0.085 -6.774 10.366 1.00 0.00 H new ATOM 1379 N GLY A 86 -1.892 -2.584 9.806 1.00 0.00 N ATOM 1380 CA GLY A 86 -2.335 -1.199 9.824 1.00 0.00 C ATOM 1381 C GLY A 86 -2.360 -0.612 8.420 1.00 0.00 C ATOM 1382 O GLY A 86 -3.286 0.127 8.100 1.00 0.00 O ATOM 0 H GLY A 86 -1.003 -2.744 10.280 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.330 -1.138 10.264 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.670 -0.610 10.456 1.00 0.00 H new ATOM 1386 N GLU A 87 -1.389 -0.949 7.561 1.00 0.00 N ATOM 1387 CA GLU A 87 -1.361 -0.429 6.194 1.00 0.00 C ATOM 1388 C GLU A 87 -2.601 -0.923 5.424 1.00 0.00 C ATOM 1389 O GLU A 87 -3.158 -0.206 4.589 1.00 0.00 O ATOM 1390 CB GLU A 87 0.001 -0.745 5.524 1.00 0.00 C ATOM 1391 CG GLU A 87 0.138 -2.006 4.648 1.00 0.00 C ATOM 1392 CD GLU A 87 0.747 -1.680 3.279 1.00 0.00 C ATOM 1393 OE1 GLU A 87 0.060 -1.017 2.472 1.00 0.00 O ATOM 1394 OE2 GLU A 87 1.912 -2.055 3.009 1.00 0.00 O ATOM 0 H GLU A 87 -0.618 -1.576 7.790 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.429 0.659 6.191 1.00 0.00 H new ATOM 0 HB2 GLU A 87 0.269 0.113 4.907 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.747 -0.814 6.316 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.762 -2.739 5.159 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.842 -2.463 4.511 1.00 0.00 H new ATOM 1401 N MET A 88 -3.061 -2.133 5.756 1.00 0.00 N ATOM 1402 CA MET A 88 -4.221 -2.771 5.161 1.00 0.00 C ATOM 1403 C MET A 88 -5.474 -1.984 5.541 1.00 0.00 C ATOM 1404 O MET A 88 -6.259 -1.587 4.676 1.00 0.00 O ATOM 1405 CB MET A 88 -4.295 -4.231 5.657 1.00 0.00 C ATOM 1406 CG MET A 88 -4.991 -5.164 4.669 1.00 0.00 C ATOM 1407 SD MET A 88 -4.258 -5.168 3.022 1.00 0.00 S ATOM 1408 CE MET A 88 -2.670 -5.928 3.415 1.00 0.00 C ATOM 0 H MET A 88 -2.615 -2.708 6.471 1.00 0.00 H new ATOM 0 HA MET A 88 -4.145 -2.781 4.074 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.285 -4.597 5.844 1.00 0.00 H new ATOM 0 HB3 MET A 88 -4.825 -4.259 6.609 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.970 -6.179 5.067 1.00 0.00 H new ATOM 0 HG3 MET A 88 -6.039 -4.875 4.588 1.00 0.00 H new ATOM 0 HE1 MET A 88 -2.039 -5.933 2.526 1.00 0.00 H new ATOM 0 HE2 MET A 88 -2.180 -5.359 4.205 1.00 0.00 H new ATOM 0 HE3 MET A 88 -2.830 -6.952 3.752 1.00 0.00 H new ATOM 1418 N GLU A 89 -5.638 -1.752 6.844 1.00 0.00 N ATOM 1419 CA GLU A 89 -6.751 -1.026 7.433 1.00 0.00 C ATOM 1420 C GLU A 89 -6.812 0.368 6.815 1.00 0.00 C ATOM 1421 O GLU A 89 -7.861 0.777 6.312 1.00 0.00 O ATOM 1422 CB GLU A 89 -6.537 -0.997 8.948 1.00 0.00 C ATOM 1423 CG GLU A 89 -7.754 -0.500 9.738 1.00 0.00 C ATOM 1424 CD GLU A 89 -7.462 -0.478 11.238 1.00 0.00 C ATOM 1425 OE1 GLU A 89 -6.463 0.160 11.650 1.00 0.00 O ATOM 1426 OE2 GLU A 89 -8.205 -1.093 12.032 1.00 0.00 O ATOM 0 H GLU A 89 -4.969 -2.080 7.541 1.00 0.00 H new ATOM 0 HA GLU A 89 -7.709 -1.505 7.234 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.280 -2.000 9.288 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -5.684 -0.356 9.172 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.026 0.501 9.402 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.609 -1.146 9.540 1.00 0.00 H new ATOM 1433 N LYS A 90 -5.676 1.071 6.818 1.00 0.00 N ATOM 1434 CA LYS A 90 -5.498 2.408 6.267 1.00 0.00 C ATOM 1435 C LYS A 90 -5.949 2.475 4.815 1.00 0.00 C ATOM 1436 O LYS A 90 -6.502 3.490 4.398 1.00 0.00 O ATOM 1437 CB LYS A 90 -4.004 2.774 6.346 1.00 0.00 C ATOM 1438 CG LYS A 90 -3.555 3.253 7.733 1.00 0.00 C ATOM 1439 CD LYS A 90 -4.035 4.685 7.937 1.00 0.00 C ATOM 1440 CE LYS A 90 -3.493 5.294 9.226 1.00 0.00 C ATOM 1441 NZ LYS A 90 -3.867 6.717 9.298 1.00 0.00 N ATOM 0 H LYS A 90 -4.817 0.701 7.225 1.00 0.00 H new ATOM 0 HA LYS A 90 -6.104 3.107 6.843 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.411 1.904 6.063 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.792 3.555 5.616 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -3.964 2.604 8.507 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.469 3.203 7.816 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -3.724 5.295 7.089 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -5.125 4.702 7.959 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -3.892 4.759 10.088 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.408 5.191 9.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -3.496 7.129 10.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.466 7.223 8.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -4.903 6.805 9.285 1.00 0.00 H new ATOM 1455 N HIS A 91 -5.700 1.418 4.045 1.00 0.00 N ATOM 1456 CA HIS A 91 -6.079 1.387 2.645 1.00 0.00 C ATOM 1457 C HIS A 91 -7.597 1.352 2.543 1.00 0.00 C ATOM 1458 O HIS A 91 -8.169 2.041 1.700 1.00 0.00 O ATOM 1459 CB HIS A 91 -5.371 0.236 1.939 1.00 0.00 C ATOM 1460 CG HIS A 91 -5.615 0.219 0.459 1.00 0.00 C ATOM 1461 ND1 HIS A 91 -6.677 -0.369 -0.191 1.00 0.00 N ATOM 1462 CD2 HIS A 91 -4.830 0.831 -0.479 1.00 0.00 C ATOM 1463 CE1 HIS A 91 -6.543 -0.096 -1.497 1.00 0.00 C ATOM 1464 NE2 HIS A 91 -5.432 0.625 -1.719 1.00 0.00 N ATOM 0 H HIS A 91 -5.235 0.572 4.374 1.00 0.00 H new ATOM 0 HA HIS A 91 -5.755 2.289 2.126 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -4.299 0.307 2.124 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -5.707 -0.708 2.368 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -7.426 -0.911 0.240 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -3.914 1.373 -0.293 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -7.234 -0.412 -2.265 1.00 0.00 H new ATOM 1472 N LEU A 92 -8.265 0.586 3.415 1.00 0.00 N ATOM 1473 CA LEU A 92 -9.723 0.537 3.392 1.00 0.00 C ATOM 1474 C LEU A 92 -10.298 1.924 3.705 1.00 0.00 C ATOM 1475 O LEU A 92 -11.354 2.269 3.164 1.00 0.00 O ATOM 1476 CB LEU A 92 -10.283 -0.511 4.364 1.00 0.00 C ATOM 1477 CG LEU A 92 -9.729 -1.934 4.198 1.00 0.00 C ATOM 1478 CD1 LEU A 92 -10.371 -2.869 5.221 1.00 0.00 C ATOM 1479 CD2 LEU A 92 -9.942 -2.468 2.783 1.00 0.00 C ATOM 0 H LEU A 92 -7.826 0.005 4.129 1.00 0.00 H new ATOM 0 HA LEU A 92 -10.028 0.237 2.389 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -10.083 -0.179 5.383 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -11.366 -0.546 4.247 1.00 0.00 H new ATOM 0 HG LEU A 92 -8.654 -1.893 4.372 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -9.972 -3.875 5.095 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -10.150 -2.514 6.228 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -11.451 -2.886 5.071 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.535 -3.477 2.710 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -11.008 -2.489 2.559 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -9.434 -1.819 2.069 1.00 0.00 H new ATOM 1491 N VAL A 93 -9.630 2.712 4.561 1.00 0.00 N ATOM 1492 CA VAL A 93 -10.076 4.060 4.909 1.00 0.00 C ATOM 1493 C VAL A 93 -9.992 4.935 3.659 1.00 0.00 C ATOM 1494 O VAL A 93 -10.996 5.498 3.223 1.00 0.00 O ATOM 1495 CB VAL A 93 -9.225 4.702 6.035 1.00 0.00 C ATOM 1496 CG1 VAL A 93 -9.901 5.980 6.547 1.00 0.00 C ATOM 1497 CG2 VAL A 93 -8.972 3.768 7.220 1.00 0.00 C ATOM 0 H VAL A 93 -8.768 2.429 5.028 1.00 0.00 H new ATOM 0 HA VAL A 93 -11.098 3.987 5.280 1.00 0.00 H new ATOM 0 HB VAL A 93 -8.257 4.927 5.586 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -9.294 6.421 7.337 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -10.003 6.691 5.727 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -10.888 5.737 6.941 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.371 4.284 7.968 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -9.924 3.473 7.660 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -8.440 2.880 6.877 1.00 0.00 H new ATOM 1507 N LEU A 94 -8.790 5.017 3.081 1.00 0.00 N ATOM 1508 CA LEU A 94 -8.493 5.826 1.912 1.00 0.00 C ATOM 1509 C LEU A 94 -9.414 5.525 0.728 1.00 0.00 C ATOM 1510 O LEU A 94 -9.961 6.453 0.131 1.00 0.00 O ATOM 1511 CB LEU A 94 -6.971 5.749 1.618 1.00 0.00 C ATOM 1512 CG LEU A 94 -6.504 4.907 0.429 1.00 0.00 C ATOM 1513 CD1 LEU A 94 -6.627 5.697 -0.884 1.00 0.00 C ATOM 1514 CD2 LEU A 94 -5.041 4.484 0.614 1.00 0.00 C ATOM 0 H LEU A 94 -7.979 4.505 3.429 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.720 6.872 2.118 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.610 6.766 1.467 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.479 5.365 2.511 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.141 4.024 0.380 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.289 5.077 -1.715 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.668 5.980 -1.042 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.012 6.595 -0.827 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.724 3.886 -0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.412 5.371 0.689 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.945 3.894 1.525 1.00 0.00 H new ATOM 1526 N LEU A 95 -9.618 4.248 0.395 1.00 0.00 N ATOM 1527 CA LEU A 95 -10.468 3.865 -0.725 1.00 0.00 C ATOM 1528 C LEU A 95 -11.901 4.306 -0.473 1.00 0.00 C ATOM 1529 O LEU A 95 -12.520 4.839 -1.387 1.00 0.00 O ATOM 1530 CB LEU A 95 -10.397 2.347 -0.977 1.00 0.00 C ATOM 1531 CG LEU A 95 -9.399 1.889 -2.066 1.00 0.00 C ATOM 1532 CD1 LEU A 95 -9.961 2.019 -3.480 1.00 0.00 C ATOM 1533 CD2 LEU A 95 -8.046 2.594 -2.052 1.00 0.00 C ATOM 0 H LEU A 95 -9.201 3.460 0.891 1.00 0.00 H new ATOM 0 HA LEU A 95 -10.104 4.368 -1.621 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -10.134 1.855 -0.041 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -11.392 1.997 -1.253 1.00 0.00 H new ATOM 0 HG LEU A 95 -9.242 0.843 -1.802 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -9.215 1.683 -4.200 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -10.858 1.406 -3.573 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -10.212 3.061 -3.677 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.422 2.200 -2.854 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.192 3.664 -2.198 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.556 2.422 -1.094 1.00 0.00 H new ATOM 1545 N ALA A 96 -12.440 4.086 0.728 1.00 0.00 N ATOM 1546 CA ALA A 96 -13.808 4.492 1.026 1.00 0.00 C ATOM 1547 C ALA A 96 -13.983 6.012 1.011 1.00 0.00 C ATOM 1548 O ALA A 96 -15.094 6.484 0.773 1.00 0.00 O ATOM 1549 CB ALA A 96 -14.202 3.959 2.397 1.00 0.00 C ATOM 0 H ALA A 96 -11.953 3.633 1.501 1.00 0.00 H new ATOM 0 HA ALA A 96 -14.449 4.078 0.248 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -15.225 4.260 2.624 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -14.136 2.871 2.397 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -13.528 4.364 3.152 1.00 0.00 H new ATOM 1555 N GLU A 97 -12.929 6.788 1.278 1.00 0.00 N ATOM 1556 CA GLU A 97 -13.045 8.242 1.283 1.00 0.00 C ATOM 1557 C GLU A 97 -13.184 8.778 -0.140 1.00 0.00 C ATOM 1558 O GLU A 97 -13.965 9.698 -0.389 1.00 0.00 O ATOM 1559 CB GLU A 97 -11.845 8.863 2.017 1.00 0.00 C ATOM 1560 CG GLU A 97 -11.932 10.389 2.218 1.00 0.00 C ATOM 1561 CD GLU A 97 -13.032 10.814 3.199 1.00 0.00 C ATOM 1562 OE1 GLU A 97 -14.225 10.530 2.949 1.00 0.00 O ATOM 1563 OE2 GLU A 97 -12.731 11.400 4.262 1.00 0.00 O ATOM 0 H GLU A 97 -11.996 6.435 1.491 1.00 0.00 H new ATOM 0 HA GLU A 97 -13.949 8.526 1.821 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -11.747 8.387 2.993 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -10.937 8.635 1.458 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -10.971 10.755 2.580 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -12.112 10.865 1.254 1.00 0.00 H new ATOM 1570 N LEU A 98 -12.445 8.205 -1.094 1.00 0.00 N ATOM 1571 CA LEU A 98 -12.502 8.648 -2.481 1.00 0.00 C ATOM 1572 C LEU A 98 -13.604 7.911 -3.241 1.00 0.00 C ATOM 1573 O LEU A 98 -14.008 8.381 -4.308 1.00 0.00 O ATOM 1574 CB LEU A 98 -11.137 8.433 -3.162 1.00 0.00 C ATOM 1575 CG LEU A 98 -10.115 9.556 -2.883 1.00 0.00 C ATOM 1576 CD1 LEU A 98 -9.693 9.674 -1.414 1.00 0.00 C ATOM 1577 CD2 LEU A 98 -8.853 9.299 -3.712 1.00 0.00 C ATOM 0 H LEU A 98 -11.801 7.432 -0.926 1.00 0.00 H new ATOM 0 HA LEU A 98 -12.737 9.712 -2.495 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -10.720 7.484 -2.826 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -11.288 8.352 -4.238 1.00 0.00 H new ATOM 0 HG LEU A 98 -10.613 10.488 -3.152 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.974 10.486 -1.306 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -10.569 9.881 -0.799 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -9.235 8.739 -1.091 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.125 10.088 -3.521 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -8.425 8.336 -3.434 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -9.109 9.290 -4.771 1.00 0.00 H new ATOM 1589 N LEU A 99 -14.101 6.783 -2.720 1.00 0.00 N ATOM 1590 CA LEU A 99 -15.136 5.948 -3.326 1.00 0.00 C ATOM 1591 C LEU A 99 -16.257 5.635 -2.307 1.00 0.00 C ATOM 1592 O LEU A 99 -16.480 4.458 -1.989 1.00 0.00 O ATOM 1593 CB LEU A 99 -14.509 4.645 -3.883 1.00 0.00 C ATOM 1594 CG LEU A 99 -13.164 4.716 -4.634 1.00 0.00 C ATOM 1595 CD1 LEU A 99 -12.760 3.291 -5.021 1.00 0.00 C ATOM 1596 CD2 LEU A 99 -13.188 5.613 -5.871 1.00 0.00 C ATOM 0 H LEU A 99 -13.777 6.414 -1.826 1.00 0.00 H new ATOM 0 HA LEU A 99 -15.586 6.495 -4.154 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -14.381 3.959 -3.046 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -15.237 4.193 -4.557 1.00 0.00 H new ATOM 0 HG LEU A 99 -12.436 5.171 -3.963 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -11.810 3.314 -5.555 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -12.656 2.685 -4.121 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -13.526 2.857 -5.664 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -12.205 5.609 -6.342 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -13.930 5.240 -6.577 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -13.446 6.631 -5.578 1.00 0.00 H new ATOM 1608 N PRO A 100 -16.997 6.638 -1.794 1.00 0.00 N ATOM 1609 CA PRO A 100 -18.063 6.411 -0.816 1.00 0.00 C ATOM 1610 C PRO A 100 -19.251 5.618 -1.376 1.00 0.00 C ATOM 1611 O PRO A 100 -20.064 5.117 -0.601 1.00 0.00 O ATOM 1612 CB PRO A 100 -18.490 7.806 -0.342 1.00 0.00 C ATOM 1613 CG PRO A 100 -18.136 8.708 -1.522 1.00 0.00 C ATOM 1614 CD PRO A 100 -16.867 8.061 -2.072 1.00 0.00 C ATOM 0 HA PRO A 100 -17.696 5.792 0.003 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -19.555 7.844 -0.114 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -17.959 8.102 0.563 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -18.933 8.733 -2.266 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -17.962 9.737 -1.207 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -16.767 8.243 -3.142 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -15.979 8.474 -1.594 1.00 0.00 H new ATOM 1622 N ASP A 101 -19.367 5.484 -2.701 1.00 0.00 N ATOM 1623 CA ASP A 101 -20.452 4.746 -3.352 1.00 0.00 C ATOM 1624 C ASP A 101 -19.993 3.327 -3.711 1.00 0.00 C ATOM 1625 O ASP A 101 -20.714 2.606 -4.409 1.00 0.00 O ATOM 1626 CB ASP A 101 -20.925 5.454 -4.628 1.00 0.00 C ATOM 1627 CG ASP A 101 -21.291 6.921 -4.441 1.00 0.00 C ATOM 1628 OD1 ASP A 101 -22.461 7.201 -4.103 1.00 0.00 O ATOM 1629 OD2 ASP A 101 -20.428 7.772 -4.787 1.00 0.00 O ATOM 0 H ASP A 101 -18.702 5.890 -3.359 1.00 0.00 H new ATOM 0 HA ASP A 101 -21.282 4.700 -2.647 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -20.139 5.382 -5.380 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -21.792 4.924 -5.022 1.00 0.00 H new ATOM 1634 N TRP A 102 -18.779 2.927 -3.319 1.00 0.00 N ATOM 1635 CA TRP A 102 -18.219 1.615 -3.577 1.00 0.00 C ATOM 1636 C TRP A 102 -18.161 0.829 -2.271 1.00 0.00 C ATOM 1637 O TRP A 102 -18.738 -0.254 -2.218 1.00 0.00 O ATOM 1638 CB TRP A 102 -16.850 1.745 -4.258 1.00 0.00 C ATOM 1639 CG TRP A 102 -16.304 0.478 -4.840 1.00 0.00 C ATOM 1640 CD1 TRP A 102 -16.968 -0.311 -5.713 1.00 0.00 C ATOM 1641 CD2 TRP A 102 -15.013 -0.169 -4.617 1.00 0.00 C ATOM 1642 NE1 TRP A 102 -16.151 -1.354 -6.105 1.00 0.00 N ATOM 1643 CE2 TRP A 102 -14.951 -1.342 -5.427 1.00 0.00 C ATOM 1644 CE3 TRP A 102 -13.900 0.091 -3.788 1.00 0.00 C ATOM 1645 CZ2 TRP A 102 -13.846 -2.206 -5.414 1.00 0.00 C ATOM 1646 CZ3 TRP A 102 -12.783 -0.767 -3.768 1.00 0.00 C ATOM 1647 CH2 TRP A 102 -12.750 -1.905 -4.590 1.00 0.00 C ATOM 0 H TRP A 102 -18.146 3.534 -2.797 1.00 0.00 H new ATOM 0 HA TRP A 102 -18.855 1.060 -4.267 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -16.926 2.487 -5.052 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -16.135 2.129 -3.530 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -17.981 -0.151 -6.052 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -16.405 -2.047 -6.809 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -13.905 0.967 -3.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -13.838 -3.093 -6.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -11.949 -0.549 -3.118 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -11.882 -2.548 -4.588 1.00 0.00 H new ATOM 1658 N LEU A 103 -17.446 1.325 -1.252 1.00 0.00 N ATOM 1659 CA LEU A 103 -17.321 0.664 0.049 1.00 0.00 C ATOM 1660 C LEU A 103 -18.201 1.385 1.063 1.00 0.00 C ATOM 1661 O LEU A 103 -18.318 2.607 1.017 1.00 0.00 O ATOM 1662 CB LEU A 103 -15.852 0.687 0.526 1.00 0.00 C ATOM 1663 CG LEU A 103 -15.556 -0.213 1.745 1.00 0.00 C ATOM 1664 CD1 LEU A 103 -15.528 -1.685 1.326 1.00 0.00 C ATOM 1665 CD2 LEU A 103 -14.202 0.126 2.386 1.00 0.00 C ATOM 0 H LEU A 103 -16.934 2.205 -1.311 1.00 0.00 H new ATOM 0 HA LEU A 103 -17.640 -0.374 -0.046 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -15.211 0.379 -0.300 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -15.581 1.713 0.775 1.00 0.00 H new ATOM 0 HG LEU A 103 -16.351 -0.036 2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -15.318 -2.307 2.196 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -16.495 -1.962 0.906 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -14.751 -1.835 0.577 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -14.030 -0.529 3.240 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -13.407 -0.016 1.654 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -14.207 1.164 2.719 1.00 0.00 H new ATOM 1677 N SER A 104 -18.777 0.637 2.002 1.00 0.00 N ATOM 1678 CA SER A 104 -19.627 1.188 3.047 1.00 0.00 C ATOM 1679 C SER A 104 -19.402 0.455 4.364 1.00 0.00 C ATOM 1680 O SER A 104 -18.824 -0.638 4.407 1.00 0.00 O ATOM 1681 CB SER A 104 -21.080 1.111 2.596 1.00 0.00 C ATOM 1682 OG SER A 104 -21.946 1.821 3.452 1.00 0.00 O ATOM 0 H SER A 104 -18.664 -0.375 2.057 1.00 0.00 H new ATOM 0 HA SER A 104 -19.372 2.234 3.219 1.00 0.00 H new ATOM 0 HB2 SER A 104 -21.166 1.509 1.585 1.00 0.00 H new ATOM 0 HB3 SER A 104 -21.390 0.067 2.554 1.00 0.00 H new ATOM 0 HG SER A 104 -22.665 1.228 3.755 1.00 0.00 H new ATOM 1688 N LEU A 105 -19.902 1.069 5.435 1.00 0.00 N ATOM 1689 CA LEU A 105 -19.822 0.615 6.820 1.00 0.00 C ATOM 1690 C LEU A 105 -21.209 0.627 7.439 1.00 0.00 C ATOM 1691 O LEU A 105 -21.988 1.565 7.248 1.00 0.00 O ATOM 1692 CB LEU A 105 -18.928 1.535 7.666 1.00 0.00 C ATOM 1693 CG LEU A 105 -17.470 1.622 7.191 1.00 0.00 C ATOM 1694 CD1 LEU A 105 -16.761 2.840 7.796 1.00 0.00 C ATOM 1695 CD2 LEU A 105 -16.689 0.353 7.533 1.00 0.00 C ATOM 0 H LEU A 105 -20.405 1.952 5.352 1.00 0.00 H new ATOM 0 HA LEU A 105 -19.399 -0.390 6.810 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -19.357 2.537 7.666 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -18.940 1.183 8.698 1.00 0.00 H new ATOM 0 HG LEU A 105 -17.498 1.730 6.107 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -15.731 2.875 7.441 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -17.280 3.750 7.494 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -16.768 2.762 8.883 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -15.662 0.452 7.181 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -16.690 0.205 8.613 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -17.157 -0.504 7.049 1.00 0.00 H new ATOM 1707 N HIS A 106 -21.506 -0.413 8.215 1.00 0.00 N ATOM 1708 CA HIS A 106 -22.791 -0.591 8.872 1.00 0.00 C ATOM 1709 C HIS A 106 -22.617 -1.278 10.225 1.00 0.00 C ATOM 1710 O HIS A 106 -22.321 -2.472 10.286 1.00 0.00 O ATOM 1711 CB HIS A 106 -23.705 -1.428 7.962 1.00 0.00 C ATOM 1712 CG HIS A 106 -23.878 -0.870 6.571 1.00 0.00 C ATOM 1713 ND1 HIS A 106 -24.941 -0.123 6.120 1.00 0.00 N ATOM 1714 CD2 HIS A 106 -22.987 -0.986 5.537 1.00 0.00 C ATOM 1715 CE1 HIS A 106 -24.703 0.193 4.839 1.00 0.00 C ATOM 1716 NE2 HIS A 106 -23.527 -0.322 4.439 1.00 0.00 N ATOM 0 H HIS A 106 -20.846 -1.167 8.406 1.00 0.00 H new ATOM 0 HA HIS A 106 -23.242 0.385 9.049 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -23.299 -2.437 7.888 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -24.685 -1.513 8.431 1.00 0.00 H new ATOM 0 HD1 HIS A 106 -25.763 0.143 6.663 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -22.037 -1.500 5.568 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -25.363 0.779 4.216 1.00 0.00 H new ATOM 1724 N ARG A 107 -22.735 -0.533 11.323 1.00 0.00 N ATOM 1725 CA ARG A 107 -22.616 -1.087 12.668 1.00 0.00 C ATOM 1726 C ARG A 107 -23.984 -1.632 13.049 1.00 0.00 C ATOM 1727 O ARG A 107 -24.976 -0.913 12.916 1.00 0.00 O ATOM 1728 CB ARG A 107 -22.094 -0.017 13.622 1.00 0.00 C ATOM 1729 CG ARG A 107 -21.907 -0.561 15.044 1.00 0.00 C ATOM 1730 CD ARG A 107 -20.819 0.264 15.727 1.00 0.00 C ATOM 1731 NE ARG A 107 -20.835 0.114 17.186 1.00 0.00 N ATOM 1732 CZ ARG A 107 -20.673 1.101 18.072 1.00 0.00 C ATOM 1733 NH1 ARG A 107 -20.451 2.348 17.673 1.00 0.00 N ATOM 1734 NH2 ARG A 107 -20.765 0.840 19.367 1.00 0.00 N ATOM 0 H ARG A 107 -22.916 0.471 11.304 1.00 0.00 H new ATOM 0 HA ARG A 107 -21.895 -1.903 12.720 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -21.143 0.367 13.252 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -22.790 0.822 13.643 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -22.841 -0.496 15.602 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -21.625 -1.614 15.015 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -19.844 -0.038 15.344 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -20.950 1.315 15.471 1.00 0.00 H new ATOM 0 HE ARG A 107 -20.983 -0.825 17.556 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -20.402 2.564 16.677 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -20.329 3.090 18.362 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -20.959 -0.110 19.683 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -20.642 1.589 20.048 1.00 0.00 H new ATOM 1748 N ILE A 108 -24.058 -2.878 13.510 1.00 0.00 N ATOM 1749 CA ILE A 108 -25.298 -3.543 13.885 1.00 0.00 C ATOM 1750 C ILE A 108 -25.156 -4.061 15.316 1.00 0.00 C ATOM 1751 O ILE A 108 -24.053 -4.396 15.750 1.00 0.00 O ATOM 1752 CB ILE A 108 -25.586 -4.716 12.907 1.00 0.00 C ATOM 1753 CG1 ILE A 108 -25.128 -4.538 11.438 1.00 0.00 C ATOM 1754 CG2 ILE A 108 -27.077 -5.090 12.941 1.00 0.00 C ATOM 1755 CD1 ILE A 108 -25.895 -3.498 10.612 1.00 0.00 C ATOM 0 H ILE A 108 -23.234 -3.466 13.635 1.00 0.00 H new ATOM 0 HA ILE A 108 -26.132 -2.843 13.831 1.00 0.00 H new ATOM 0 HB ILE A 108 -24.958 -5.521 13.289 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -24.073 -4.265 11.439 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -25.207 -5.502 10.935 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -27.262 -5.913 12.250 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -27.353 -5.395 13.951 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -27.675 -4.228 12.646 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -25.486 -3.462 9.602 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -26.949 -3.774 10.567 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -25.796 -2.518 11.079 1.00 0.00 H new ATOM 1767 N ARG A 109 -26.281 -4.234 16.021 1.00 0.00 N ATOM 1768 CA ARG A 109 -26.342 -4.730 17.401 1.00 0.00 C ATOM 1769 C ARG A 109 -25.486 -5.980 17.608 1.00 0.00 C ATOM 1770 O ARG A 109 -24.885 -6.146 18.667 1.00 0.00 O ATOM 1771 CB ARG A 109 -27.806 -4.944 17.845 1.00 0.00 C ATOM 1772 CG ARG A 109 -28.675 -5.807 16.910 1.00 0.00 C ATOM 1773 CD ARG A 109 -30.082 -6.037 17.483 1.00 0.00 C ATOM 1774 NE ARG A 109 -30.101 -7.070 18.537 1.00 0.00 N ATOM 1775 CZ ARG A 109 -30.968 -8.084 18.658 1.00 0.00 C ATOM 1776 NH1 ARG A 109 -31.992 -8.232 17.826 1.00 0.00 N ATOM 1777 NH2 ARG A 109 -30.811 -8.961 19.635 1.00 0.00 N ATOM 0 H ARG A 109 -27.202 -4.026 15.635 1.00 0.00 H new ATOM 0 HA ARG A 109 -25.912 -3.962 18.044 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -27.802 -5.405 18.833 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -28.279 -3.968 17.951 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -28.754 -5.321 15.938 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -28.188 -6.768 16.747 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -30.463 -5.100 17.890 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -30.755 -6.332 16.678 1.00 0.00 H new ATOM 0 HE ARG A 109 -29.375 -7.005 19.251 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -32.135 -7.563 17.069 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -32.636 -9.015 17.943 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -30.035 -8.862 20.289 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -31.466 -9.736 19.735 1.00 0.00 H new ATOM 1791 N THR A 110 -25.408 -6.851 16.606 1.00 0.00 N ATOM 1792 CA THR A 110 -24.614 -8.055 16.698 1.00 0.00 C ATOM 1793 C THR A 110 -23.117 -7.757 16.522 1.00 0.00 C ATOM 1794 O THR A 110 -22.327 -8.332 17.268 1.00 0.00 O ATOM 1795 CB THR A 110 -25.185 -9.102 15.730 1.00 0.00 C ATOM 1796 OG1 THR A 110 -24.504 -10.326 15.865 1.00 0.00 O ATOM 1797 CG2 THR A 110 -25.148 -8.713 14.252 1.00 0.00 C ATOM 0 H THR A 110 -25.893 -6.736 15.716 1.00 0.00 H new ATOM 0 HA THR A 110 -24.680 -8.483 17.699 1.00 0.00 H new ATOM 0 HB THR A 110 -26.234 -9.181 16.017 1.00 0.00 H new ATOM 0 HG1 THR A 110 -24.882 -10.981 15.242 1.00 0.00 H new ATOM 0 HG21 THR A 110 -25.573 -9.518 13.653 1.00 0.00 H new ATOM 0 HG22 THR A 110 -25.728 -7.803 14.101 1.00 0.00 H new ATOM 0 HG23 THR A 110 -24.116 -8.540 13.947 1.00 0.00 H new ATOM 1805 N ASP A 111 -22.719 -6.917 15.554 1.00 0.00 N ATOM 1806 CA ASP A 111 -21.329 -6.544 15.240 1.00 0.00 C ATOM 1807 C ASP A 111 -21.324 -5.552 14.060 1.00 0.00 C ATOM 1808 O ASP A 111 -22.385 -5.218 13.526 1.00 0.00 O ATOM 1809 CB ASP A 111 -20.468 -7.781 14.862 1.00 0.00 C ATOM 1810 CG ASP A 111 -18.981 -7.603 15.202 1.00 0.00 C ATOM 1811 OD1 ASP A 111 -18.535 -6.455 15.424 1.00 0.00 O ATOM 1812 OD2 ASP A 111 -18.246 -8.612 15.317 1.00 0.00 O ATOM 0 H ASP A 111 -23.390 -6.457 14.939 1.00 0.00 H new ATOM 0 HA ASP A 111 -20.896 -6.089 16.131 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -20.852 -8.657 15.384 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -20.570 -7.976 13.794 1.00 0.00 H new ATOM 1817 N THR A 112 -20.160 -5.054 13.649 1.00 0.00 N ATOM 1818 CA THR A 112 -19.972 -4.127 12.540 1.00 0.00 C ATOM 1819 C THR A 112 -19.757 -4.937 11.258 1.00 0.00 C ATOM 1820 O THR A 112 -19.149 -6.006 11.284 1.00 0.00 O ATOM 1821 CB THR A 112 -18.802 -3.178 12.861 1.00 0.00 C ATOM 1822 OG1 THR A 112 -19.068 -2.527 14.092 1.00 0.00 O ATOM 1823 CG2 THR A 112 -18.598 -2.090 11.803 1.00 0.00 C ATOM 0 H THR A 112 -19.281 -5.299 14.104 1.00 0.00 H new ATOM 0 HA THR A 112 -20.852 -3.501 12.389 1.00 0.00 H new ATOM 0 HB THR A 112 -17.901 -3.791 12.895 1.00 0.00 H new ATOM 0 HG1 THR A 112 -18.329 -1.921 14.308 1.00 0.00 H new ATOM 0 HG21 THR A 112 -17.759 -1.456 12.090 1.00 0.00 H new ATOM 0 HG22 THR A 112 -18.389 -2.554 10.839 1.00 0.00 H new ATOM 0 HG23 THR A 112 -19.501 -1.484 11.726 1.00 0.00 H new ATOM 1831 N TYR A 113 -20.264 -4.436 10.130 1.00 0.00 N ATOM 1832 CA TYR A 113 -20.174 -5.076 8.827 1.00 0.00 C ATOM 1833 C TYR A 113 -19.772 -4.040 7.786 1.00 0.00 C ATOM 1834 O TYR A 113 -19.991 -2.837 7.955 1.00 0.00 O ATOM 1835 CB TYR A 113 -21.529 -5.713 8.441 1.00 0.00 C ATOM 1836 CG TYR A 113 -21.979 -6.891 9.294 1.00 0.00 C ATOM 1837 CD1 TYR A 113 -22.391 -6.679 10.620 1.00 0.00 C ATOM 1838 CD2 TYR A 113 -21.990 -8.201 8.777 1.00 0.00 C ATOM 1839 CE1 TYR A 113 -22.715 -7.757 11.456 1.00 0.00 C ATOM 1840 CE2 TYR A 113 -22.352 -9.286 9.598 1.00 0.00 C ATOM 1841 CZ TYR A 113 -22.670 -9.077 10.959 1.00 0.00 C ATOM 1842 OH TYR A 113 -22.987 -10.126 11.768 1.00 0.00 O ATOM 0 H TYR A 113 -20.763 -3.547 10.103 1.00 0.00 H new ATOM 0 HA TYR A 113 -19.423 -5.865 8.869 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -22.297 -4.941 8.488 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -21.471 -6.042 7.404 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -22.459 -5.671 11.001 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -21.719 -8.374 7.746 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -23.000 -7.577 12.482 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -22.387 -10.283 9.185 1.00 0.00 H new ATOM 0 HH TYR A 113 -22.905 -10.963 11.265 1.00 0.00 H new ATOM 1852 N VAL A 114 -19.225 -4.533 6.685 1.00 0.00 N ATOM 1853 CA VAL A 114 -18.763 -3.792 5.528 1.00 0.00 C ATOM 1854 C VAL A 114 -19.595 -4.287 4.346 1.00 0.00 C ATOM 1855 O VAL A 114 -20.073 -5.427 4.338 1.00 0.00 O ATOM 1856 CB VAL A 114 -17.237 -4.039 5.348 1.00 0.00 C ATOM 1857 CG1 VAL A 114 -16.798 -4.367 3.916 1.00 0.00 C ATOM 1858 CG2 VAL A 114 -16.409 -2.835 5.805 1.00 0.00 C ATOM 0 H VAL A 114 -19.083 -5.537 6.572 1.00 0.00 H new ATOM 0 HA VAL A 114 -18.890 -2.714 5.627 1.00 0.00 H new ATOM 0 HB VAL A 114 -17.053 -4.915 5.971 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -15.719 -4.522 3.893 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -17.302 -5.273 3.579 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -17.060 -3.539 3.257 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -15.349 -3.047 5.663 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -16.685 -1.959 5.218 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -16.602 -2.640 6.860 1.00 0.00 H new ATOM 1868 N LYS A 115 -19.780 -3.428 3.347 1.00 0.00 N ATOM 1869 CA LYS A 115 -20.500 -3.718 2.116 1.00 0.00 C ATOM 1870 C LYS A 115 -19.692 -3.171 0.957 1.00 0.00 C ATOM 1871 O LYS A 115 -18.948 -2.206 1.147 1.00 0.00 O ATOM 1872 CB LYS A 115 -21.932 -3.175 2.169 1.00 0.00 C ATOM 1873 CG LYS A 115 -22.859 -4.374 2.380 1.00 0.00 C ATOM 1874 CD LYS A 115 -24.148 -4.026 3.110 1.00 0.00 C ATOM 1875 CE LYS A 115 -23.784 -3.924 4.589 1.00 0.00 C ATOM 1876 NZ LYS A 115 -24.960 -3.655 5.435 1.00 0.00 N ATOM 0 H LYS A 115 -19.418 -2.475 3.377 1.00 0.00 H new ATOM 0 HA LYS A 115 -20.610 -4.794 1.980 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -22.042 -2.456 2.981 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -22.181 -2.653 1.245 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -23.106 -4.807 1.411 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -22.327 -5.139 2.945 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -24.561 -3.086 2.745 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -24.907 -4.792 2.947 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -23.313 -4.853 4.910 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -23.050 -3.130 4.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -24.665 -3.594 6.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -25.396 -2.756 5.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -25.650 -4.425 5.325 1.00 0.00 H new ATOM 1890 N LEU A 116 -19.790 -3.827 -0.198 1.00 0.00 N ATOM 1891 CA LEU A 116 -19.085 -3.451 -1.413 1.00 0.00 C ATOM 1892 C LEU A 116 -20.023 -3.579 -2.595 1.00 0.00 C ATOM 1893 O LEU A 116 -21.042 -4.275 -2.519 1.00 0.00 O ATOM 1894 CB LEU A 116 -17.849 -4.332 -1.598 1.00 0.00 C ATOM 1895 CG LEU A 116 -16.783 -3.835 -2.592 1.00 0.00 C ATOM 1896 CD1 LEU A 116 -16.904 -4.251 -4.062 1.00 0.00 C ATOM 1897 CD2 LEU A 116 -16.382 -2.371 -2.428 1.00 0.00 C ATOM 0 H LEU A 116 -20.377 -4.653 -0.313 1.00 0.00 H new ATOM 0 HA LEU A 116 -18.752 -2.416 -1.339 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -17.374 -4.458 -0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -18.181 -5.319 -1.921 1.00 0.00 H new ATOM 0 HG LEU A 116 -15.942 -4.438 -2.251 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -16.080 -3.821 -4.631 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -16.869 -5.338 -4.137 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -17.850 -3.890 -4.466 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -15.627 -2.115 -3.172 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -17.257 -1.736 -2.566 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -15.974 -2.215 -1.429 1.00 0.00 H new ATOM 1909 N ASP A 117 -19.637 -2.963 -3.705 1.00 0.00 N ATOM 1910 CA ASP A 117 -20.429 -2.952 -4.932 1.00 0.00 C ATOM 1911 C ASP A 117 -19.680 -3.524 -6.126 1.00 0.00 C ATOM 1912 O ASP A 117 -18.939 -2.847 -6.843 1.00 0.00 O ATOM 1913 CB ASP A 117 -21.027 -1.566 -5.210 1.00 0.00 C ATOM 1914 CG ASP A 117 -22.530 -1.595 -4.952 1.00 0.00 C ATOM 1915 OD1 ASP A 117 -23.215 -2.451 -5.550 1.00 0.00 O ATOM 1916 OD2 ASP A 117 -23.003 -0.815 -4.090 1.00 0.00 O ATOM 0 H ASP A 117 -18.758 -2.452 -3.781 1.00 0.00 H new ATOM 0 HA ASP A 117 -21.268 -3.628 -4.768 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -20.553 -0.820 -4.572 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -20.831 -1.275 -6.242 1.00 0.00 H new ATOM 1921 N LYS A 118 -19.903 -4.813 -6.362 1.00 0.00 N ATOM 1922 CA LYS A 118 -19.304 -5.578 -7.451 1.00 0.00 C ATOM 1923 C LYS A 118 -19.858 -5.185 -8.822 1.00 0.00 C ATOM 1924 O LYS A 118 -19.293 -5.612 -9.825 1.00 0.00 O ATOM 1925 CB LYS A 118 -19.566 -7.071 -7.201 1.00 0.00 C ATOM 1926 CG LYS A 118 -18.865 -7.579 -5.931 1.00 0.00 C ATOM 1927 CD LYS A 118 -19.222 -9.026 -5.576 1.00 0.00 C ATOM 1928 CE LYS A 118 -20.628 -9.205 -4.979 1.00 0.00 C ATOM 1929 NZ LYS A 118 -21.696 -9.430 -5.981 1.00 0.00 N ATOM 0 H LYS A 118 -20.527 -5.373 -5.781 1.00 0.00 H new ATOM 0 HA LYS A 118 -18.236 -5.362 -7.466 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -20.639 -7.240 -7.114 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -19.221 -7.647 -8.059 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -17.786 -7.501 -6.065 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -19.130 -6.932 -5.095 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -19.141 -9.638 -6.474 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -18.488 -9.405 -4.865 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -20.611 -10.048 -4.289 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -20.876 -8.319 -4.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -22.471 -8.756 -5.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -21.310 -9.291 -6.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -22.057 -10.401 -5.891 1.00 0.00 H new ATOM 1943 N ALA A 119 -20.937 -4.402 -8.889 1.00 0.00 N ATOM 1944 CA ALA A 119 -21.544 -4.005 -10.160 1.00 0.00 C ATOM 1945 C ALA A 119 -20.900 -2.767 -10.791 1.00 0.00 C ATOM 1946 O ALA A 119 -21.009 -2.569 -12.004 1.00 0.00 O ATOM 1947 CB ALA A 119 -23.038 -3.746 -9.926 1.00 0.00 C ATOM 0 H ALA A 119 -21.412 -4.027 -8.068 1.00 0.00 H new ATOM 0 HA ALA A 119 -21.384 -4.821 -10.864 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -23.507 -3.449 -10.864 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -23.511 -4.655 -9.556 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -23.159 -2.950 -9.192 1.00 0.00 H new ATOM 1953 N VAL A 120 -20.212 -1.955 -9.993 1.00 0.00 N ATOM 1954 CA VAL A 120 -19.566 -0.728 -10.433 1.00 0.00 C ATOM 1955 C VAL A 120 -18.369 -1.059 -11.333 1.00 0.00 C ATOM 1956 O VAL A 120 -17.682 -2.060 -11.095 1.00 0.00 O ATOM 1957 CB VAL A 120 -19.184 0.045 -9.155 1.00 0.00 C ATOM 1958 CG1 VAL A 120 -18.371 1.305 -9.438 1.00 0.00 C ATOM 1959 CG2 VAL A 120 -20.438 0.452 -8.362 1.00 0.00 C ATOM 0 H VAL A 120 -20.087 -2.139 -8.998 1.00 0.00 H new ATOM 0 HA VAL A 120 -20.220 -0.104 -11.042 1.00 0.00 H new ATOM 0 HB VAL A 120 -18.567 -0.640 -8.574 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -18.134 1.804 -8.498 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -17.447 1.035 -9.949 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -18.951 1.978 -10.070 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -20.141 0.996 -7.465 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -21.069 1.090 -8.981 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -20.994 -0.441 -8.077 1.00 0.00 H new ATOM 1969 N ASP A 121 -18.114 -0.247 -12.363 1.00 0.00 N ATOM 1970 CA ASP A 121 -16.990 -0.455 -13.277 1.00 0.00 C ATOM 1971 C ASP A 121 -15.714 0.042 -12.588 1.00 0.00 C ATOM 1972 O ASP A 121 -15.664 1.175 -12.105 1.00 0.00 O ATOM 1973 CB ASP A 121 -17.217 0.238 -14.627 1.00 0.00 C ATOM 1974 CG ASP A 121 -16.278 -0.357 -15.679 1.00 0.00 C ATOM 1975 OD1 ASP A 121 -15.077 -0.547 -15.399 1.00 0.00 O ATOM 1976 OD2 ASP A 121 -16.749 -0.732 -16.779 1.00 0.00 O ATOM 0 H ASP A 121 -18.681 0.571 -12.585 1.00 0.00 H new ATOM 0 HA ASP A 121 -16.893 -1.517 -13.502 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -18.254 0.114 -14.940 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -17.039 1.309 -14.531 1.00 0.00 H new ATOM 1981 N LEU A 122 -14.710 -0.827 -12.463 1.00 0.00 N ATOM 1982 CA LEU A 122 -13.432 -0.532 -11.817 1.00 0.00 C ATOM 1983 C LEU A 122 -12.616 0.517 -12.573 1.00 0.00 C ATOM 1984 O LEU A 122 -11.811 1.195 -11.942 1.00 0.00 O ATOM 1985 CB LEU A 122 -12.629 -1.840 -11.696 1.00 0.00 C ATOM 1986 CG LEU A 122 -11.709 -2.009 -10.471 1.00 0.00 C ATOM 1987 CD1 LEU A 122 -10.471 -1.119 -10.469 1.00 0.00 C ATOM 1988 CD2 LEU A 122 -12.442 -1.861 -9.132 1.00 0.00 C ATOM 0 H LEU A 122 -14.766 -1.781 -12.818 1.00 0.00 H new ATOM 0 HA LEU A 122 -13.640 -0.113 -10.833 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -13.337 -2.669 -11.700 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -12.016 -1.940 -12.592 1.00 0.00 H new ATOM 0 HG LEU A 122 -11.366 -3.039 -10.575 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -9.887 -1.310 -9.569 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -9.864 -1.338 -11.348 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -10.775 -0.073 -10.489 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -11.734 -1.992 -8.313 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -12.889 -0.869 -9.070 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -13.224 -2.617 -9.060 1.00 0.00 H new ATOM 2000 N ALA A 123 -12.819 0.670 -13.887 1.00 0.00 N ATOM 2001 CA ALA A 123 -12.088 1.635 -14.707 1.00 0.00 C ATOM 2002 C ALA A 123 -12.157 3.026 -14.071 1.00 0.00 C ATOM 2003 O ALA A 123 -11.134 3.597 -13.685 1.00 0.00 O ATOM 2004 CB ALA A 123 -12.638 1.633 -16.140 1.00 0.00 C ATOM 0 H ALA A 123 -13.501 0.122 -14.412 1.00 0.00 H new ATOM 0 HA ALA A 123 -11.038 1.348 -14.757 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -12.087 2.355 -16.742 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -12.525 0.639 -16.572 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -13.694 1.904 -16.125 1.00 0.00 H new ATOM 2010 N GLY A 124 -13.381 3.520 -13.886 1.00 0.00 N ATOM 2011 CA GLY A 124 -13.633 4.825 -13.301 1.00 0.00 C ATOM 2012 C GLY A 124 -13.099 4.927 -11.882 1.00 0.00 C ATOM 2013 O GLY A 124 -12.621 5.989 -11.490 1.00 0.00 O ATOM 0 H GLY A 124 -14.230 3.016 -14.142 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -13.170 5.594 -13.919 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -14.705 5.020 -13.299 1.00 0.00 H new ATOM 2017 N LEU A 125 -13.163 3.836 -11.110 1.00 0.00 N ATOM 2018 CA LEU A 125 -12.680 3.810 -9.735 1.00 0.00 C ATOM 2019 C LEU A 125 -11.169 4.017 -9.716 1.00 0.00 C ATOM 2020 O LEU A 125 -10.703 4.915 -9.020 1.00 0.00 O ATOM 2021 CB LEU A 125 -13.090 2.524 -9.004 1.00 0.00 C ATOM 2022 CG LEU A 125 -14.614 2.344 -8.875 1.00 0.00 C ATOM 2023 CD1 LEU A 125 -14.907 1.041 -8.131 1.00 0.00 C ATOM 2024 CD2 LEU A 125 -15.299 3.506 -8.144 1.00 0.00 C ATOM 0 H LEU A 125 -13.553 2.948 -11.427 1.00 0.00 H new ATOM 0 HA LEU A 125 -13.150 4.629 -9.191 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -12.676 1.667 -9.535 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -12.648 2.526 -8.008 1.00 0.00 H new ATOM 0 HG LEU A 125 -15.018 2.319 -9.887 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -15.985 0.910 -8.038 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -14.486 0.203 -8.686 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -14.459 1.080 -7.138 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -16.371 3.318 -8.086 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -14.891 3.593 -7.137 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -15.122 4.433 -8.689 1.00 0.00 H new ATOM 2036 N THR A 126 -10.397 3.222 -10.464 1.00 0.00 N ATOM 2037 CA THR A 126 -8.944 3.376 -10.514 1.00 0.00 C ATOM 2038 C THR A 126 -8.584 4.787 -11.009 1.00 0.00 C ATOM 2039 O THR A 126 -7.635 5.386 -10.495 1.00 0.00 O ATOM 2040 CB THR A 126 -8.347 2.253 -11.390 1.00 0.00 C ATOM 2041 OG1 THR A 126 -8.263 1.063 -10.625 1.00 0.00 O ATOM 2042 CG2 THR A 126 -6.933 2.538 -11.908 1.00 0.00 C ATOM 0 H THR A 126 -10.758 2.464 -11.044 1.00 0.00 H new ATOM 0 HA THR A 126 -8.510 3.277 -9.519 1.00 0.00 H new ATOM 0 HB THR A 126 -9.012 2.171 -12.250 1.00 0.00 H new ATOM 0 HG1 THR A 126 -7.886 0.346 -11.176 1.00 0.00 H new ATOM 0 HG21 THR A 126 -6.591 1.698 -12.513 1.00 0.00 H new ATOM 0 HG22 THR A 126 -6.944 3.443 -12.515 1.00 0.00 H new ATOM 0 HG23 THR A 126 -6.257 2.676 -11.064 1.00 0.00 H new ATOM 2050 N ALA A 127 -9.336 5.328 -11.974 1.00 0.00 N ATOM 2051 CA ALA A 127 -9.086 6.651 -12.521 1.00 0.00 C ATOM 2052 C ALA A 127 -9.301 7.720 -11.443 1.00 0.00 C ATOM 2053 O ALA A 127 -8.352 8.417 -11.079 1.00 0.00 O ATOM 2054 CB ALA A 127 -9.960 6.882 -13.759 1.00 0.00 C ATOM 0 H ALA A 127 -10.135 4.853 -12.394 1.00 0.00 H new ATOM 0 HA ALA A 127 -8.047 6.725 -12.841 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -9.765 7.876 -14.161 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -9.726 6.132 -14.515 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -11.011 6.802 -13.482 1.00 0.00 H new ATOM 2060 N ARG A 128 -10.511 7.842 -10.878 1.00 0.00 N ATOM 2061 CA ARG A 128 -10.783 8.855 -9.854 1.00 0.00 C ATOM 2062 C ARG A 128 -9.840 8.723 -8.662 1.00 0.00 C ATOM 2063 O ARG A 128 -9.437 9.745 -8.103 1.00 0.00 O ATOM 2064 CB ARG A 128 -12.271 8.894 -9.450 1.00 0.00 C ATOM 2065 CG ARG A 128 -12.750 7.690 -8.634 1.00 0.00 C ATOM 2066 CD ARG A 128 -14.269 7.733 -8.415 1.00 0.00 C ATOM 2067 NE ARG A 128 -14.660 8.485 -7.204 1.00 0.00 N ATOM 2068 CZ ARG A 128 -15.846 9.071 -6.985 1.00 0.00 C ATOM 2069 NH1 ARG A 128 -16.703 9.289 -7.975 1.00 0.00 N ATOM 2070 NH2 ARG A 128 -16.168 9.409 -5.745 1.00 0.00 N ATOM 0 H ARG A 128 -11.311 7.254 -11.113 1.00 0.00 H new ATOM 0 HA ARG A 128 -10.575 9.828 -10.300 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -12.452 9.801 -8.873 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -12.876 8.966 -10.354 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -12.481 6.768 -9.150 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -12.242 7.676 -7.670 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -14.743 8.187 -9.286 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -14.648 6.714 -8.341 1.00 0.00 H new ATOM 0 HE ARG A 128 -13.962 8.566 -6.465 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -16.465 9.009 -8.927 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -17.600 9.736 -7.784 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -15.519 9.222 -4.981 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -17.065 9.856 -5.555 1.00 0.00 H new ATOM 2084 N LEU A 129 -9.480 7.493 -8.290 1.00 0.00 N ATOM 2085 CA LEU A 129 -8.581 7.181 -7.190 1.00 0.00 C ATOM 2086 C LEU A 129 -7.226 7.844 -7.440 1.00 0.00 C ATOM 2087 O LEU A 129 -6.809 8.695 -6.658 1.00 0.00 O ATOM 2088 CB LEU A 129 -8.478 5.645 -7.064 1.00 0.00 C ATOM 2089 CG LEU A 129 -7.472 5.096 -6.038 1.00 0.00 C ATOM 2090 CD1 LEU A 129 -7.830 5.547 -4.623 1.00 0.00 C ATOM 2091 CD2 LEU A 129 -7.472 3.559 -6.105 1.00 0.00 C ATOM 0 H LEU A 129 -9.822 6.659 -8.768 1.00 0.00 H new ATOM 0 HA LEU A 129 -8.958 7.571 -6.245 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -9.465 5.259 -6.811 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -8.219 5.241 -8.043 1.00 0.00 H new ATOM 0 HG LEU A 129 -6.482 5.483 -6.278 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -7.103 5.145 -3.918 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -7.819 6.636 -4.574 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -8.825 5.183 -4.366 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -6.761 3.163 -5.380 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -8.470 3.185 -5.876 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -7.185 3.238 -7.107 1.00 0.00 H new ATOM 2103 N ALA A 130 -6.562 7.479 -8.540 1.00 0.00 N ATOM 2104 CA ALA A 130 -5.244 7.986 -8.916 1.00 0.00 C ATOM 2105 C ALA A 130 -5.190 9.483 -9.234 1.00 0.00 C ATOM 2106 O ALA A 130 -4.140 10.099 -9.066 1.00 0.00 O ATOM 2107 CB ALA A 130 -4.756 7.196 -10.134 1.00 0.00 C ATOM 0 H ALA A 130 -6.937 6.806 -9.209 1.00 0.00 H new ATOM 0 HA ALA A 130 -4.603 7.852 -8.044 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -3.772 7.558 -10.432 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -4.691 6.138 -9.879 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -5.457 7.329 -10.958 1.00 0.00 H new ATOM 2113 N HIS A 131 -6.297 10.094 -9.656 1.00 0.00 N ATOM 2114 CA HIS A 131 -6.329 11.511 -10.010 1.00 0.00 C ATOM 2115 C HIS A 131 -6.055 12.497 -8.853 1.00 0.00 C ATOM 2116 O HIS A 131 -5.908 13.678 -9.158 1.00 0.00 O ATOM 2117 CB HIS A 131 -7.682 11.838 -10.669 1.00 0.00 C ATOM 2118 CG HIS A 131 -7.830 11.508 -12.134 1.00 0.00 C ATOM 2119 ND1 HIS A 131 -8.604 12.218 -13.030 1.00 0.00 N ATOM 2120 CD2 HIS A 131 -7.221 10.497 -12.827 1.00 0.00 C ATOM 2121 CE1 HIS A 131 -8.457 11.653 -14.239 1.00 0.00 C ATOM 2122 NE2 HIS A 131 -7.643 10.591 -14.156 1.00 0.00 N ATOM 0 H HIS A 131 -7.194 9.621 -9.762 1.00 0.00 H new ATOM 0 HA HIS A 131 -5.498 11.657 -10.700 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -8.462 11.308 -10.122 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -7.872 12.904 -10.541 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -6.540 9.763 -12.422 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -8.926 12.003 -15.147 1.00 0.00 H new ATOM 0 HE2 HIS A 131 -7.381 9.968 -14.920 1.00 0.00 H new ATOM 2130 N HIS A 132 -6.068 12.086 -7.570 1.00 0.00 N ATOM 2131 CA HIS A 132 -5.835 12.884 -6.342 1.00 0.00 C ATOM 2132 C HIS A 132 -6.340 14.352 -6.291 1.00 0.00 C ATOM 2133 O HIS A 132 -5.918 15.103 -5.414 1.00 0.00 O ATOM 2134 CB HIS A 132 -4.335 12.849 -6.015 1.00 0.00 C ATOM 2135 CG HIS A 132 -3.753 11.501 -5.698 1.00 0.00 C ATOM 2136 ND1 HIS A 132 -2.408 11.247 -5.697 1.00 0.00 N ATOM 2137 CD2 HIS A 132 -4.398 10.368 -5.272 1.00 0.00 C ATOM 2138 CE1 HIS A 132 -2.245 9.975 -5.316 1.00 0.00 C ATOM 2139 NE2 HIS A 132 -3.426 9.386 -5.051 1.00 0.00 N ATOM 0 H HIS A 132 -6.256 11.110 -7.343 1.00 0.00 H new ATOM 0 HA HIS A 132 -6.465 12.394 -5.600 1.00 0.00 H new ATOM 0 HB2 HIS A 132 -3.791 13.266 -6.862 1.00 0.00 H new ATOM 0 HB3 HIS A 132 -4.155 13.508 -5.165 1.00 0.00 H new ATOM 0 HD2 HIS A 132 -5.463 10.254 -5.132 1.00 0.00 H new ATOM 0 HE1 HIS A 132 -1.287 9.483 -5.232 1.00 0.00 H new ATOM 0 HE2 HIS A 132 -3.580 8.423 -4.751 1.00 0.00 H new ATOM 2147 N VAL A 133 -7.309 14.746 -7.118 1.00 0.00 N ATOM 2148 CA VAL A 133 -7.898 16.070 -7.285 1.00 0.00 C ATOM 2149 C VAL A 133 -8.081 16.803 -5.957 1.00 0.00 C ATOM 2150 O VAL A 133 -7.680 17.959 -5.835 1.00 0.00 O ATOM 2151 CB VAL A 133 -9.192 15.956 -8.129 1.00 0.00 C ATOM 2152 CG1 VAL A 133 -9.585 17.299 -8.738 1.00 0.00 C ATOM 2153 CG2 VAL A 133 -9.088 14.965 -9.298 1.00 0.00 C ATOM 0 H VAL A 133 -7.743 14.075 -7.751 1.00 0.00 H new ATOM 0 HA VAL A 133 -7.203 16.702 -7.838 1.00 0.00 H new ATOM 0 HB VAL A 133 -9.938 15.600 -7.418 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -10.497 17.180 -9.323 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -9.756 18.023 -7.942 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -8.783 17.654 -9.385 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -10.033 14.942 -9.840 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -8.291 15.279 -9.972 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -8.866 13.970 -8.913 1.00 0.00 H new ATOM 2163 N HIS A 134 -8.804 16.181 -5.025 1.00 0.00 N ATOM 2164 CA HIS A 134 -9.071 16.693 -3.686 1.00 0.00 C ATOM 2165 C HIS A 134 -8.464 15.808 -2.578 1.00 0.00 C ATOM 2166 O HIS A 134 -8.884 15.891 -1.423 1.00 0.00 O ATOM 2167 CB HIS A 134 -10.582 16.930 -3.531 1.00 0.00 C ATOM 2168 CG HIS A 134 -11.381 15.708 -3.904 1.00 0.00 C ATOM 2169 ND1 HIS A 134 -11.629 14.622 -3.097 1.00 0.00 N ATOM 2170 CD2 HIS A 134 -11.875 15.423 -5.147 1.00 0.00 C ATOM 2171 CE1 HIS A 134 -12.260 13.700 -3.835 1.00 0.00 C ATOM 2172 NE2 HIS A 134 -12.402 14.132 -5.102 1.00 0.00 N ATOM 0 H HIS A 134 -9.235 15.272 -5.191 1.00 0.00 H new ATOM 0 HA HIS A 134 -8.566 17.651 -3.563 1.00 0.00 H new ATOM 0 HB2 HIS A 134 -10.803 17.208 -2.500 1.00 0.00 H new ATOM 0 HB3 HIS A 134 -10.885 17.768 -4.159 1.00 0.00 H new ATOM 0 HD2 HIS A 134 -11.860 16.077 -6.006 1.00 0.00 H new ATOM 0 HE1 HIS A 134 -12.606 12.746 -3.466 1.00 0.00 H new ATOM 0 HE2 HIS A 134 -12.815 13.616 -5.879 1.00 0.00 H new ATOM 2180 N ALA A 135 -7.594 14.858 -2.932 1.00 0.00 N ATOM 2181 CA ALA A 135 -6.981 13.940 -1.976 1.00 0.00 C ATOM 2182 C ALA A 135 -5.853 14.598 -1.172 1.00 0.00 C ATOM 2183 O ALA A 135 -5.533 15.772 -1.352 1.00 0.00 O ATOM 2184 CB ALA A 135 -6.462 12.708 -2.729 1.00 0.00 C ATOM 0 H ALA A 135 -7.296 14.706 -3.895 1.00 0.00 H new ATOM 0 HA ALA A 135 -7.742 13.644 -1.254 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -6.002 12.017 -2.023 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -7.292 12.213 -3.233 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -5.722 13.018 -3.467 1.00 0.00 H new ATOM 2190 N GLU A 136 -5.272 13.815 -0.269 1.00 0.00 N ATOM 2191 CA GLU A 136 -4.160 14.165 0.606 1.00 0.00 C ATOM 2192 C GLU A 136 -3.244 12.946 0.616 1.00 0.00 C ATOM 2193 O GLU A 136 -2.070 13.023 0.256 1.00 0.00 O ATOM 2194 CB GLU A 136 -4.630 14.621 2.007 1.00 0.00 C ATOM 2195 CG GLU A 136 -5.135 13.570 3.019 1.00 0.00 C ATOM 2196 CD GLU A 136 -4.068 13.040 3.998 1.00 0.00 C ATOM 2197 OE1 GLU A 136 -2.872 12.932 3.645 1.00 0.00 O ATOM 2198 OE2 GLU A 136 -4.441 12.766 5.168 1.00 0.00 O ATOM 0 H GLU A 136 -5.587 12.856 -0.120 1.00 0.00 H new ATOM 0 HA GLU A 136 -3.615 15.036 0.241 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -3.800 15.151 2.474 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -5.431 15.347 1.863 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -5.951 14.006 3.596 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -5.550 12.727 2.467 1.00 0.00 H new ATOM 2205 N GLY A 137 -3.829 11.781 0.892 1.00 0.00 N ATOM 2206 CA GLY A 137 -3.163 10.502 0.965 1.00 0.00 C ATOM 2207 C GLY A 137 -3.542 9.826 2.271 1.00 0.00 C ATOM 2208 O GLY A 137 -2.689 9.664 3.145 1.00 0.00 O ATOM 0 H GLY A 137 -4.829 11.711 1.078 1.00 0.00 H new ATOM 0 HA2 GLY A 137 -3.451 9.878 0.119 1.00 0.00 H new ATOM 0 HA3 GLY A 137 -2.083 10.635 0.909 1.00 0.00 H new ATOM 2212 N LEU A 138 -4.837 9.526 2.435 1.00 0.00 N ATOM 2213 CA LEU A 138 -5.331 8.852 3.632 1.00 0.00 C ATOM 2214 C LEU A 138 -4.639 7.502 3.713 1.00 0.00 C ATOM 2215 O LEU A 138 -4.576 6.957 4.834 1.00 0.00 O ATOM 2216 CB LEU A 138 -6.859 8.647 3.613 1.00 0.00 C ATOM 2217 CG LEU A 138 -7.694 9.867 4.021 1.00 0.00 C ATOM 2218 CD1 LEU A 138 -7.956 10.781 2.818 1.00 0.00 C ATOM 2219 CD2 LEU A 138 -9.029 9.386 4.588 1.00 0.00 C ATOM 0 H LEU A 138 -5.560 9.742 1.749 1.00 0.00 H new ATOM 0 HA LEU A 138 -5.112 9.475 4.499 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -7.155 8.345 2.608 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -7.105 7.820 4.280 1.00 0.00 H new ATOM 0 HG LEU A 138 -7.142 10.434 4.771 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -8.550 11.638 3.135 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -7.006 11.128 2.411 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -8.498 10.227 2.052 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -9.631 10.246 4.881 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -9.561 8.813 3.829 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -8.849 8.756 5.459 1.00 0.00 H new