USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 562 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 36 SER OG : rot 110:sc= -0.617 USER MOD Set 1.2: A 38 GLN : amide:sc= 0.287 X(o=-0.33,f=-0.65) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.393 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 41 LYS NZ :NH3+ 172:sc=-0.00391 (180deg=-0.0799) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.291 X(o=0.29,f=-0.0015) USER MOD Single : A 51 HIS : no HD1:sc= -0.0801 K(o=-0.08,f=-0.81) USER MOD Single : A 53 SER OG : rot 93:sc= 0.0964 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= -0.0684 K(o=-0.068,f=-0.67) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.391 X(o=-0.39,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.362 K(o=-0.36,f=-4.8!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -19:sc= 0.111 USER MOD Single : A 74 ASN : amide:sc= 0.175 K(o=0.18,f=-7!) USER MOD Single : A 75 LYS NZ :NH3+ 136:sc= -1.62! (180deg=-4.65!) USER MOD Single : A 77 HIS : no HD1:sc= -0.0153 X(o=-0.015,f=-0.014) USER MOD Single : A 80 THR OG1 : rot 74:sc= 1.08 USER MOD Single : A 82 TYR OH : rot 60:sc= 0.0694 USER MOD Single : A 83 ASN : amide:sc= 0.202 X(o=0.2,f=-0.11) USER MOD Single : A 84 HIS : no HD1:sc=-0.00598 X(o=-0.006,f=0) USER MOD Single : A 88 THR OG1 : rot -66:sc= 0.875 USER MOD Single : A 89 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00739) USER MOD Single : A 92 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00248) USER MOD ----------------------------------------------------------------- ATOM 95 N ARG A 27 -5.463 4.046 1.958 1.00 0.00 N ATOM 96 CA ARG A 27 -4.744 4.371 0.725 1.00 0.00 C ATOM 97 C ARG A 27 -4.015 5.715 0.882 1.00 0.00 C ATOM 98 O ARG A 27 -4.620 6.746 1.200 1.00 0.00 O ATOM 99 CB ARG A 27 -5.647 4.388 -0.531 1.00 0.00 C ATOM 100 CG ARG A 27 -6.893 5.306 -0.501 1.00 0.00 C ATOM 101 CD ARG A 27 -8.104 4.666 0.193 1.00 0.00 C ATOM 102 NE ARG A 27 -9.330 5.471 0.025 1.00 0.00 N ATOM 103 CZ ARG A 27 -10.080 5.973 1.021 1.00 0.00 C ATOM 104 NH1 ARG A 27 -9.742 5.815 2.296 1.00 0.00 N ATOM 105 NH2 ARG A 27 -11.172 6.661 0.723 1.00 0.00 N ATOM 0 HA ARG A 27 -4.020 3.572 0.565 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.033 4.681 -1.383 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.984 3.368 -0.717 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.639 6.235 0.010 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.166 5.569 -1.523 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.268 3.668 -0.213 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.892 4.547 1.255 1.00 0.00 H new ATOM 0 HE ARG A 27 -9.634 5.663 -0.929 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.895 5.302 2.539 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.330 6.207 3.032 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -11.434 6.804 -0.252 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -11.751 7.048 1.469 1.00 0.00 H new ATOM 119 N ALA A 28 -2.710 5.661 0.675 1.00 0.00 N ATOM 120 CA ALA A 28 -1.803 6.798 0.893 1.00 0.00 C ATOM 121 C ALA A 28 -1.876 7.781 -0.284 1.00 0.00 C ATOM 122 O ALA A 28 -1.791 9.001 -0.107 1.00 0.00 O ATOM 123 CB ALA A 28 -0.363 6.292 1.103 1.00 0.00 C ATOM 0 H ALA A 28 -2.235 4.820 0.347 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.115 7.330 1.792 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.301 7.141 1.264 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.331 5.637 1.973 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.039 5.740 0.221 1.00 0.00 H new ATOM 129 N TRP A 29 -2.063 7.217 -1.488 1.00 0.00 N ATOM 130 CA TRP A 29 -2.005 7.963 -2.756 1.00 0.00 C ATOM 131 C TRP A 29 -3.368 7.968 -3.437 1.00 0.00 C ATOM 132 O TRP A 29 -4.121 6.998 -3.332 1.00 0.00 O ATOM 133 CB TRP A 29 -0.962 7.312 -3.702 1.00 0.00 C ATOM 134 CG TRP A 29 0.359 7.048 -3.035 1.00 0.00 C ATOM 135 CD1 TRP A 29 1.215 7.970 -2.501 1.00 0.00 C ATOM 136 CD2 TRP A 29 0.961 5.771 -2.819 1.00 0.00 C ATOM 137 NE1 TRP A 29 2.300 7.338 -1.958 1.00 0.00 N ATOM 138 CE2 TRP A 29 2.170 5.990 -2.148 1.00 0.00 C ATOM 139 CE3 TRP A 29 0.587 4.465 -3.132 1.00 0.00 C ATOM 140 CZ2 TRP A 29 3.009 4.951 -1.782 1.00 0.00 C ATOM 141 CZ3 TRP A 29 1.422 3.435 -2.770 1.00 0.00 C ATOM 142 CH2 TRP A 29 2.626 3.683 -2.103 1.00 0.00 C ATOM 0 H TRP A 29 -2.260 6.224 -1.610 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.714 8.991 -2.538 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -1.363 6.373 -4.083 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.804 7.964 -4.561 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.058 9.039 -2.507 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.080 7.798 -1.488 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.340 4.267 -3.649 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.936 5.139 -1.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.144 2.418 -3.004 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.265 2.854 -1.837 1.00 0.00 H new ATOM 153 N THR A 30 -3.674 9.074 -4.119 1.00 0.00 N ATOM 154 CA THR A 30 -4.819 9.176 -5.036 1.00 0.00 C ATOM 155 C THR A 30 -4.345 8.838 -6.466 1.00 0.00 C ATOM 156 O THR A 30 -3.141 8.666 -6.688 1.00 0.00 O ATOM 157 CB THR A 30 -5.442 10.607 -4.973 1.00 0.00 C ATOM 158 OG1 THR A 30 -4.429 11.590 -5.251 1.00 0.00 O ATOM 159 CG2 THR A 30 -6.074 10.885 -3.594 1.00 0.00 C ATOM 0 H THR A 30 -3.130 9.934 -4.052 1.00 0.00 H new ATOM 0 HA THR A 30 -5.593 8.468 -4.740 1.00 0.00 H new ATOM 0 HB THR A 30 -6.230 10.667 -5.724 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.824 12.486 -5.212 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.498 11.889 -3.584 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.861 10.156 -3.401 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.310 10.806 -2.821 1.00 0.00 H new ATOM 167 N VAL A 31 -5.286 8.770 -7.430 1.00 0.00 N ATOM 168 CA VAL A 31 -4.988 8.339 -8.819 1.00 0.00 C ATOM 169 C VAL A 31 -3.923 9.240 -9.496 1.00 0.00 C ATOM 170 O VAL A 31 -3.088 8.746 -10.269 1.00 0.00 O ATOM 171 CB VAL A 31 -6.299 8.258 -9.690 1.00 0.00 C ATOM 172 CG1 VAL A 31 -7.041 9.616 -9.743 1.00 0.00 C ATOM 173 CG2 VAL A 31 -6.013 7.699 -11.115 1.00 0.00 C ATOM 0 H VAL A 31 -6.265 9.009 -7.274 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.565 7.336 -8.753 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.965 7.550 -9.197 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.939 9.517 -10.353 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.320 9.918 -8.733 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.387 10.371 -10.180 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.942 7.659 -11.683 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.303 8.350 -11.625 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.593 6.696 -11.035 1.00 0.00 H new ATOM 183 N GLU A 32 -3.954 10.552 -9.185 1.00 0.00 N ATOM 184 CA GLU A 32 -2.969 11.537 -9.685 1.00 0.00 C ATOM 185 C GLU A 32 -1.560 11.256 -9.120 1.00 0.00 C ATOM 186 O GLU A 32 -0.572 11.336 -9.852 1.00 0.00 O ATOM 187 CB GLU A 32 -3.414 12.991 -9.344 1.00 0.00 C ATOM 188 CG GLU A 32 -3.659 13.242 -7.849 1.00 0.00 C ATOM 189 CD GLU A 32 -3.911 14.714 -7.510 1.00 0.00 C ATOM 190 OE1 GLU A 32 -5.069 15.172 -7.614 1.00 0.00 O ATOM 191 OE2 GLU A 32 -2.947 15.421 -7.145 1.00 0.00 O ATOM 0 H GLU A 32 -4.665 10.961 -8.578 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.924 11.437 -10.769 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.650 13.684 -9.697 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.328 13.217 -9.893 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.516 12.651 -7.525 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.796 12.890 -7.283 1.00 0.00 H new ATOM 198 N GLN A 33 -1.477 10.924 -7.820 1.00 0.00 N ATOM 199 CA GLN A 33 -0.201 10.591 -7.154 1.00 0.00 C ATOM 200 C GLN A 33 0.401 9.315 -7.772 1.00 0.00 C ATOM 201 O GLN A 33 1.602 9.258 -8.045 1.00 0.00 O ATOM 202 CB GLN A 33 -0.430 10.394 -5.637 1.00 0.00 C ATOM 203 CG GLN A 33 -1.114 11.568 -4.927 1.00 0.00 C ATOM 204 CD GLN A 33 -0.292 12.855 -4.923 1.00 0.00 C ATOM 205 OE1 GLN A 33 -0.417 13.692 -5.815 1.00 0.00 O ATOM 206 NE2 GLN A 33 0.562 13.013 -3.923 1.00 0.00 N ATOM 0 H GLN A 33 -2.287 10.878 -7.202 1.00 0.00 H new ATOM 0 HA GLN A 33 0.499 11.414 -7.299 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.033 9.498 -5.489 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.533 10.212 -5.160 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -2.072 11.762 -5.409 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.327 11.282 -3.897 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.639 12.297 -3.200 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.143 13.850 -3.876 1.00 0.00 H new ATOM 215 N LEU A 34 -0.483 8.331 -8.016 1.00 0.00 N ATOM 216 CA LEU A 34 -0.120 7.005 -8.542 1.00 0.00 C ATOM 217 C LEU A 34 0.484 7.113 -9.945 1.00 0.00 C ATOM 218 O LEU A 34 1.550 6.573 -10.197 1.00 0.00 O ATOM 219 CB LEU A 34 -1.365 6.094 -8.593 1.00 0.00 C ATOM 220 CG LEU A 34 -1.972 5.689 -7.222 1.00 0.00 C ATOM 221 CD1 LEU A 34 -3.375 5.100 -7.415 1.00 0.00 C ATOM 222 CD2 LEU A 34 -1.043 4.710 -6.465 1.00 0.00 C ATOM 0 H LEU A 34 -1.484 8.437 -7.851 1.00 0.00 H new ATOM 0 HA LEU A 34 0.625 6.574 -7.873 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.136 6.600 -9.174 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.103 5.185 -9.134 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.063 6.584 -6.607 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.789 4.820 -6.446 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.020 5.843 -7.884 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.315 4.218 -8.052 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.495 4.445 -5.509 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.901 3.809 -7.061 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.078 5.186 -6.290 1.00 0.00 H new ATOM 234 N ARG A 35 -0.219 7.856 -10.834 1.00 0.00 N ATOM 235 CA ARG A 35 0.155 7.987 -12.260 1.00 0.00 C ATOM 236 C ARG A 35 1.400 8.881 -12.442 1.00 0.00 C ATOM 237 O ARG A 35 2.027 8.861 -13.510 1.00 0.00 O ATOM 238 CB ARG A 35 -1.032 8.552 -13.094 1.00 0.00 C ATOM 239 CG ARG A 35 -1.372 10.037 -12.827 1.00 0.00 C ATOM 240 CD ARG A 35 -2.453 10.594 -13.772 1.00 0.00 C ATOM 241 NE ARG A 35 -3.767 9.952 -13.580 1.00 0.00 N ATOM 242 CZ ARG A 35 -4.530 9.438 -14.555 1.00 0.00 C ATOM 243 NH1 ARG A 35 -4.103 9.395 -15.812 1.00 0.00 N ATOM 244 NH2 ARG A 35 -5.724 8.964 -14.265 1.00 0.00 N ATOM 0 H ARG A 35 -1.058 8.379 -10.582 1.00 0.00 H new ATOM 0 HA ARG A 35 0.399 6.988 -12.623 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.801 8.433 -14.153 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.918 7.950 -12.891 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.709 10.146 -11.796 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.466 10.634 -12.930 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -2.551 11.668 -13.611 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.133 10.454 -14.805 1.00 0.00 H new ATOM 0 HE ARG A 35 -4.125 9.894 -12.627 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -3.179 9.757 -16.050 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.699 9.000 -16.540 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -6.063 8.989 -13.303 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -6.310 8.572 -15.002 1.00 0.00 H new ATOM 258 N SER A 36 1.737 9.667 -11.399 1.00 0.00 N ATOM 259 CA SER A 36 2.878 10.589 -11.429 1.00 0.00 C ATOM 260 C SER A 36 4.199 9.778 -11.436 1.00 0.00 C ATOM 261 O SER A 36 4.429 8.956 -10.537 1.00 0.00 O ATOM 262 CB SER A 36 2.804 11.547 -10.213 1.00 0.00 C ATOM 263 OG SER A 36 3.739 12.604 -10.322 1.00 0.00 O ATOM 0 H SER A 36 1.224 9.676 -10.517 1.00 0.00 H new ATOM 0 HA SER A 36 2.848 11.193 -12.336 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.798 11.958 -10.134 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.992 10.987 -9.297 1.00 0.00 H new ATOM 0 HG SER A 36 3.264 13.445 -10.487 1.00 0.00 H new ATOM 269 N GLU A 37 5.036 10.001 -12.471 1.00 0.00 N ATOM 270 CA GLU A 37 6.286 9.241 -12.701 1.00 0.00 C ATOM 271 C GLU A 37 7.323 9.433 -11.578 1.00 0.00 C ATOM 272 O GLU A 37 8.213 8.593 -11.414 1.00 0.00 O ATOM 273 CB GLU A 37 6.911 9.636 -14.067 1.00 0.00 C ATOM 274 CG GLU A 37 6.075 9.244 -15.303 1.00 0.00 C ATOM 275 CD GLU A 37 5.879 7.728 -15.445 1.00 0.00 C ATOM 276 OE1 GLU A 37 6.873 7.009 -15.676 1.00 0.00 O ATOM 277 OE2 GLU A 37 4.741 7.234 -15.306 1.00 0.00 O ATOM 0 H GLU A 37 4.864 10.718 -13.176 1.00 0.00 H new ATOM 0 HA GLU A 37 6.012 8.186 -12.707 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.067 10.715 -14.080 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.893 9.170 -14.149 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.099 9.726 -15.241 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.563 9.626 -16.200 1.00 0.00 H new ATOM 284 N GLN A 38 7.206 10.544 -10.822 1.00 0.00 N ATOM 285 CA GLN A 38 8.119 10.864 -9.700 1.00 0.00 C ATOM 286 C GLN A 38 7.940 9.880 -8.521 1.00 0.00 C ATOM 287 O GLN A 38 8.841 9.734 -7.688 1.00 0.00 O ATOM 288 CB GLN A 38 7.905 12.333 -9.240 1.00 0.00 C ATOM 289 CG GLN A 38 6.505 12.639 -8.663 1.00 0.00 C ATOM 290 CD GLN A 38 6.252 14.133 -8.396 1.00 0.00 C ATOM 291 OE1 GLN A 38 7.175 14.896 -8.103 1.00 0.00 O ATOM 292 NE2 GLN A 38 4.998 14.564 -8.511 1.00 0.00 N ATOM 0 H GLN A 38 6.479 11.244 -10.970 1.00 0.00 H new ATOM 0 HA GLN A 38 9.144 10.755 -10.055 1.00 0.00 H new ATOM 0 HB2 GLN A 38 8.653 12.574 -8.485 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.084 12.993 -10.089 1.00 0.00 H new ATOM 0 HG2 GLN A 38 5.749 12.271 -9.357 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.378 12.087 -7.732 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.254 13.910 -8.755 1.00 0.00 H new ATOM 0 HE22 GLN A 38 4.781 15.548 -8.355 1.00 0.00 H new ATOM 301 N LEU A 39 6.765 9.219 -8.458 1.00 0.00 N ATOM 302 CA LEU A 39 6.491 8.158 -7.471 1.00 0.00 C ATOM 303 C LEU A 39 7.129 6.852 -8.019 1.00 0.00 C ATOM 304 O LEU A 39 6.791 6.447 -9.142 1.00 0.00 O ATOM 305 CB LEU A 39 4.940 7.999 -7.252 1.00 0.00 C ATOM 306 CG LEU A 39 4.449 7.437 -5.859 1.00 0.00 C ATOM 307 CD1 LEU A 39 2.909 7.420 -5.772 1.00 0.00 C ATOM 308 CD2 LEU A 39 5.017 6.037 -5.517 1.00 0.00 C ATOM 0 H LEU A 39 5.984 9.406 -9.087 1.00 0.00 H new ATOM 0 HA LEU A 39 6.919 8.403 -6.499 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.478 8.975 -7.401 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.557 7.342 -8.033 1.00 0.00 H new ATOM 0 HG LEU A 39 4.845 8.127 -5.114 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.604 7.028 -4.802 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.527 8.434 -5.890 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.507 6.786 -6.562 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.636 5.717 -4.547 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.710 5.323 -6.281 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.105 6.085 -5.482 1.00 0.00 H new ATOM 320 N PRO A 40 8.081 6.196 -7.264 1.00 0.00 N ATOM 321 CA PRO A 40 8.636 4.873 -7.643 1.00 0.00 C ATOM 322 C PRO A 40 7.531 3.809 -7.807 1.00 0.00 C ATOM 323 O PRO A 40 6.720 3.609 -6.897 1.00 0.00 O ATOM 324 CB PRO A 40 9.588 4.518 -6.466 1.00 0.00 C ATOM 325 CG PRO A 40 9.943 5.841 -5.860 1.00 0.00 C ATOM 326 CD PRO A 40 8.706 6.700 -6.012 1.00 0.00 C ATOM 0 HA PRO A 40 9.144 4.901 -8.607 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.098 3.868 -5.741 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.475 3.991 -6.818 1.00 0.00 H new ATOM 0 HG2 PRO A 40 10.218 5.731 -4.811 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.797 6.289 -6.368 1.00 0.00 H new ATOM 0 HD2 PRO A 40 8.036 6.593 -5.159 1.00 0.00 H new ATOM 0 HD3 PRO A 40 8.959 7.757 -6.088 1.00 0.00 H new ATOM 334 N LYS A 41 7.508 3.144 -8.978 1.00 0.00 N ATOM 335 CA LYS A 41 6.516 2.093 -9.295 1.00 0.00 C ATOM 336 C LYS A 41 6.582 0.933 -8.270 1.00 0.00 C ATOM 337 O LYS A 41 5.562 0.361 -7.890 1.00 0.00 O ATOM 338 CB LYS A 41 6.743 1.566 -10.740 1.00 0.00 C ATOM 339 CG LYS A 41 8.060 0.781 -10.953 1.00 0.00 C ATOM 340 CD LYS A 41 8.209 0.245 -12.395 1.00 0.00 C ATOM 341 CE LYS A 41 8.336 1.364 -13.432 1.00 0.00 C ATOM 342 NZ LYS A 41 9.555 2.192 -13.228 1.00 0.00 N ATOM 0 H LYS A 41 8.174 3.318 -9.731 1.00 0.00 H new ATOM 0 HA LYS A 41 5.520 2.531 -9.233 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.906 0.922 -11.011 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.728 2.413 -11.426 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.906 1.429 -10.721 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.097 -0.054 -10.254 1.00 0.00 H new ATOM 0 HD2 LYS A 41 9.088 -0.397 -12.450 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.346 -0.374 -12.639 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.359 0.929 -14.431 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.454 2.003 -13.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.668 2.846 -14.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.461 2.736 -12.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 10.389 1.573 -13.166 1.00 0.00 H new ATOM 356 N LYS A 42 7.804 0.661 -7.795 1.00 0.00 N ATOM 357 CA LYS A 42 8.092 -0.392 -6.807 1.00 0.00 C ATOM 358 C LYS A 42 7.464 -0.078 -5.434 1.00 0.00 C ATOM 359 O LYS A 42 7.042 -0.984 -4.713 1.00 0.00 O ATOM 360 CB LYS A 42 9.627 -0.566 -6.688 1.00 0.00 C ATOM 361 CG LYS A 42 10.392 0.715 -6.286 1.00 0.00 C ATOM 362 CD LYS A 42 11.917 0.499 -6.212 1.00 0.00 C ATOM 363 CE LYS A 42 12.326 -0.558 -5.168 1.00 0.00 C ATOM 364 NZ LYS A 42 13.796 -0.720 -5.100 1.00 0.00 N ATOM 0 H LYS A 42 8.635 1.173 -8.090 1.00 0.00 H new ATOM 0 HA LYS A 42 7.643 -1.325 -7.149 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.835 -1.343 -5.953 1.00 0.00 H new ATOM 0 HB3 LYS A 42 10.014 -0.920 -7.644 1.00 0.00 H new ATOM 0 HG2 LYS A 42 10.175 1.504 -7.006 1.00 0.00 H new ATOM 0 HG3 LYS A 42 10.031 1.060 -5.317 1.00 0.00 H new ATOM 0 HD2 LYS A 42 12.283 0.194 -7.192 1.00 0.00 H new ATOM 0 HD3 LYS A 42 12.401 1.445 -5.971 1.00 0.00 H new ATOM 0 HE2 LYS A 42 11.946 -0.268 -4.188 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.866 -1.514 -5.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 14.033 -1.439 -4.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 14.155 -1.021 -6.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 14.233 0.186 -4.837 1.00 0.00 H new ATOM 378 N ASP A 43 7.399 1.221 -5.106 1.00 0.00 N ATOM 379 CA ASP A 43 6.871 1.713 -3.818 1.00 0.00 C ATOM 380 C ASP A 43 5.349 1.456 -3.728 1.00 0.00 C ATOM 381 O ASP A 43 4.816 1.172 -2.646 1.00 0.00 O ATOM 382 CB ASP A 43 7.207 3.222 -3.660 1.00 0.00 C ATOM 383 CG ASP A 43 6.869 3.795 -2.272 1.00 0.00 C ATOM 384 OD1 ASP A 43 7.277 3.191 -1.250 1.00 0.00 O ATOM 385 OD2 ASP A 43 6.222 4.862 -2.192 1.00 0.00 O ATOM 0 H ASP A 43 7.712 1.966 -5.728 1.00 0.00 H new ATOM 0 HA ASP A 43 7.343 1.171 -2.999 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.269 3.370 -3.854 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.663 3.786 -4.417 1.00 0.00 H new ATOM 390 N ILE A 44 4.674 1.528 -4.895 1.00 0.00 N ATOM 391 CA ILE A 44 3.233 1.213 -5.023 1.00 0.00 C ATOM 392 C ILE A 44 3.009 -0.301 -4.846 1.00 0.00 C ATOM 393 O ILE A 44 2.120 -0.717 -4.111 1.00 0.00 O ATOM 394 CB ILE A 44 2.632 1.684 -6.402 1.00 0.00 C ATOM 395 CG1 ILE A 44 2.941 3.195 -6.655 1.00 0.00 C ATOM 396 CG2 ILE A 44 1.100 1.411 -6.474 1.00 0.00 C ATOM 397 CD1 ILE A 44 2.482 3.733 -8.009 1.00 0.00 C ATOM 0 H ILE A 44 5.111 1.805 -5.774 1.00 0.00 H new ATOM 0 HA ILE A 44 2.713 1.762 -4.238 1.00 0.00 H new ATOM 0 HB ILE A 44 3.110 1.102 -7.190 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.468 3.783 -5.869 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.016 3.350 -6.566 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.715 1.747 -7.437 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.915 0.343 -6.362 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.596 1.952 -5.673 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.742 4.789 -8.088 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.974 3.177 -8.807 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.402 3.617 -8.099 1.00 0.00 H new ATOM 409 N ILE A 45 3.838 -1.102 -5.536 1.00 0.00 N ATOM 410 CA ILE A 45 3.810 -2.587 -5.433 1.00 0.00 C ATOM 411 C ILE A 45 4.032 -3.041 -3.976 1.00 0.00 C ATOM 412 O ILE A 45 3.436 -4.023 -3.522 1.00 0.00 O ATOM 413 CB ILE A 45 4.917 -3.225 -6.354 1.00 0.00 C ATOM 414 CG1 ILE A 45 4.706 -2.786 -7.831 1.00 0.00 C ATOM 415 CG2 ILE A 45 4.956 -4.775 -6.232 1.00 0.00 C ATOM 416 CD1 ILE A 45 5.852 -3.111 -8.773 1.00 0.00 C ATOM 0 H ILE A 45 4.546 -0.750 -6.180 1.00 0.00 H new ATOM 0 HA ILE A 45 2.828 -2.925 -5.763 1.00 0.00 H new ATOM 0 HB ILE A 45 5.885 -2.857 -6.013 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.801 -3.261 -8.209 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.534 -1.710 -7.852 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.734 -5.172 -6.884 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.171 -5.053 -5.200 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.991 -5.187 -6.526 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.607 -2.765 -9.777 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.758 -2.613 -8.429 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.014 -4.189 -8.790 1.00 0.00 H new ATOM 428 N LYS A 46 4.887 -2.298 -3.254 1.00 0.00 N ATOM 429 CA LYS A 46 5.197 -2.567 -1.846 1.00 0.00 C ATOM 430 C LYS A 46 3.954 -2.348 -0.954 1.00 0.00 C ATOM 431 O LYS A 46 3.694 -3.138 -0.052 1.00 0.00 O ATOM 432 CB LYS A 46 6.369 -1.685 -1.372 1.00 0.00 C ATOM 433 CG LYS A 46 6.854 -2.002 0.060 1.00 0.00 C ATOM 434 CD LYS A 46 8.073 -1.162 0.478 1.00 0.00 C ATOM 435 CE LYS A 46 8.564 -1.509 1.890 1.00 0.00 C ATOM 436 NZ LYS A 46 9.792 -0.763 2.250 1.00 0.00 N ATOM 0 H LYS A 46 5.383 -1.492 -3.635 1.00 0.00 H new ATOM 0 HA LYS A 46 5.494 -3.612 -1.758 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.204 -1.806 -2.062 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.065 -0.639 -1.419 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.039 -1.825 0.762 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.108 -3.060 0.127 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.882 -1.321 -0.235 1.00 0.00 H new ATOM 0 HD3 LYS A 46 7.814 -0.104 0.436 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.779 -1.285 2.612 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.759 -2.580 1.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.089 -1.027 3.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.550 -0.996 1.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.600 0.259 2.215 1.00 0.00 H new ATOM 450 N PHE A 47 3.202 -1.263 -1.237 1.00 0.00 N ATOM 451 CA PHE A 47 1.893 -0.983 -0.584 1.00 0.00 C ATOM 452 C PHE A 47 0.930 -2.161 -0.805 1.00 0.00 C ATOM 453 O PHE A 47 0.315 -2.678 0.141 1.00 0.00 O ATOM 454 CB PHE A 47 1.282 0.336 -1.157 1.00 0.00 C ATOM 455 CG PHE A 47 -0.202 0.580 -0.831 1.00 0.00 C ATOM 456 CD1 PHE A 47 -0.618 0.735 0.482 1.00 0.00 C ATOM 457 CD2 PHE A 47 -1.176 0.625 -1.832 1.00 0.00 C ATOM 458 CE1 PHE A 47 -1.952 0.929 0.798 1.00 0.00 C ATOM 459 CE2 PHE A 47 -2.513 0.814 -1.520 1.00 0.00 C ATOM 460 CZ PHE A 47 -2.901 0.969 -0.200 1.00 0.00 C ATOM 0 H PHE A 47 3.478 -0.557 -1.919 1.00 0.00 H new ATOM 0 HA PHE A 47 2.049 -0.859 0.488 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.862 1.178 -0.778 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.401 0.329 -2.240 1.00 0.00 H new ATOM 0 HD1 PHE A 47 0.114 0.704 1.275 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.882 0.511 -2.865 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.249 1.049 1.829 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -3.252 0.840 -2.307 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.942 1.120 0.046 1.00 0.00 H new ATOM 470 N LEU A 48 0.858 -2.579 -2.066 1.00 0.00 N ATOM 471 CA LEU A 48 -0.080 -3.600 -2.536 1.00 0.00 C ATOM 472 C LEU A 48 0.227 -4.987 -1.943 1.00 0.00 C ATOM 473 O LEU A 48 -0.701 -5.733 -1.644 1.00 0.00 O ATOM 474 CB LEU A 48 -0.075 -3.626 -4.083 1.00 0.00 C ATOM 475 CG LEU A 48 -0.568 -2.311 -4.773 1.00 0.00 C ATOM 476 CD1 LEU A 48 -0.414 -2.384 -6.308 1.00 0.00 C ATOM 477 CD2 LEU A 48 -2.021 -1.969 -4.359 1.00 0.00 C ATOM 0 H LEU A 48 1.459 -2.213 -2.804 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.079 -3.339 -2.188 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.938 -3.838 -4.424 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.703 -4.451 -4.419 1.00 0.00 H new ATOM 0 HG LEU A 48 0.070 -1.498 -4.425 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.766 -1.454 -6.754 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.635 -2.533 -6.562 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.002 -3.217 -6.694 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.334 -1.050 -4.855 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.684 -2.783 -4.651 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.069 -1.832 -3.279 1.00 0.00 H new ATOM 489 N GLN A 49 1.525 -5.318 -1.744 1.00 0.00 N ATOM 490 CA GLN A 49 1.915 -6.624 -1.163 1.00 0.00 C ATOM 491 C GLN A 49 1.831 -6.598 0.371 1.00 0.00 C ATOM 492 O GLN A 49 1.458 -7.601 0.997 1.00 0.00 O ATOM 493 CB GLN A 49 3.311 -7.110 -1.654 1.00 0.00 C ATOM 494 CG GLN A 49 4.528 -6.331 -1.114 1.00 0.00 C ATOM 495 CD GLN A 49 5.887 -6.936 -1.501 1.00 0.00 C ATOM 496 OE1 GLN A 49 6.852 -6.838 -0.747 1.00 0.00 O ATOM 497 NE2 GLN A 49 5.990 -7.542 -2.681 1.00 0.00 N ATOM 0 H GLN A 49 2.310 -4.708 -1.974 1.00 0.00 H new ATOM 0 HA GLN A 49 1.193 -7.356 -1.526 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.425 -8.159 -1.380 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.328 -7.062 -2.743 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.481 -5.306 -1.482 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.461 -6.283 -0.027 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.176 -7.612 -3.291 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.883 -7.937 -2.975 1.00 0.00 H new ATOM 506 N GLU A 50 2.151 -5.438 0.964 1.00 0.00 N ATOM 507 CA GLU A 50 2.171 -5.260 2.430 1.00 0.00 C ATOM 508 C GLU A 50 0.752 -5.352 3.023 1.00 0.00 C ATOM 509 O GLU A 50 0.551 -5.917 4.099 1.00 0.00 O ATOM 510 CB GLU A 50 2.811 -3.891 2.774 1.00 0.00 C ATOM 511 CG GLU A 50 2.890 -3.539 4.273 1.00 0.00 C ATOM 512 CD GLU A 50 3.603 -2.195 4.531 1.00 0.00 C ATOM 513 OE1 GLU A 50 2.977 -1.135 4.338 1.00 0.00 O ATOM 514 OE2 GLU A 50 4.797 -2.186 4.898 1.00 0.00 O ATOM 0 H GLU A 50 2.403 -4.597 0.445 1.00 0.00 H new ATOM 0 HA GLU A 50 2.765 -6.061 2.870 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.820 -3.871 2.363 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.244 -3.110 2.267 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.882 -3.496 4.686 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.418 -4.333 4.801 1.00 0.00 H new ATOM 521 N HIS A 51 -0.224 -4.807 2.282 1.00 0.00 N ATOM 522 CA HIS A 51 -1.612 -4.644 2.768 1.00 0.00 C ATOM 523 C HIS A 51 -2.577 -5.623 2.080 1.00 0.00 C ATOM 524 O HIS A 51 -3.470 -6.181 2.736 1.00 0.00 O ATOM 525 CB HIS A 51 -2.051 -3.181 2.561 1.00 0.00 C ATOM 526 CG HIS A 51 -1.264 -2.213 3.405 1.00 0.00 C ATOM 527 ND1 HIS A 51 -1.533 -2.003 4.737 1.00 0.00 N ATOM 528 CD2 HIS A 51 -0.192 -1.441 3.117 1.00 0.00 C ATOM 529 CE1 HIS A 51 -0.663 -1.150 5.230 1.00 0.00 C ATOM 530 NE2 HIS A 51 0.161 -0.791 4.269 1.00 0.00 N ATOM 0 H HIS A 51 -0.079 -4.466 1.332 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.642 -4.880 3.832 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -1.936 -2.917 1.510 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.110 -3.087 2.799 1.00 0.00 H new ATOM 0 HD2 HIS A 51 0.295 -1.353 2.157 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -0.630 -0.802 6.252 1.00 0.00 H new ATOM 0 HE2 HIS A 51 0.936 -0.135 4.366 1.00 0.00 H new ATOM 539 N GLY A 52 -2.389 -5.818 0.763 1.00 0.00 N ATOM 540 CA GLY A 52 -3.160 -6.796 -0.007 1.00 0.00 C ATOM 541 C GLY A 52 -2.920 -8.233 0.444 1.00 0.00 C ATOM 542 O GLY A 52 -1.771 -8.623 0.684 1.00 0.00 O ATOM 0 H GLY A 52 -1.703 -5.304 0.211 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.222 -6.565 0.083 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.902 -6.704 -1.062 1.00 0.00 H new ATOM 546 N SER A 53 -4.013 -9.011 0.551 1.00 0.00 N ATOM 547 CA SER A 53 -3.975 -10.412 1.014 1.00 0.00 C ATOM 548 C SER A 53 -3.368 -11.320 -0.076 1.00 0.00 C ATOM 549 O SER A 53 -3.147 -10.875 -1.207 1.00 0.00 O ATOM 550 CB SER A 53 -5.411 -10.874 1.382 1.00 0.00 C ATOM 551 OG SER A 53 -5.413 -12.087 2.104 1.00 0.00 O ATOM 0 H SER A 53 -4.951 -8.685 0.318 1.00 0.00 H new ATOM 0 HA SER A 53 -3.344 -10.484 1.900 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.899 -10.100 1.974 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.997 -10.995 0.471 1.00 0.00 H new ATOM 0 HG SER A 53 -5.408 -11.896 3.065 1.00 0.00 H new ATOM 557 N ASP A 54 -3.134 -12.599 0.276 1.00 0.00 N ATOM 558 CA ASP A 54 -2.507 -13.605 -0.624 1.00 0.00 C ATOM 559 C ASP A 54 -3.274 -13.721 -1.958 1.00 0.00 C ATOM 560 O ASP A 54 -2.670 -13.849 -3.035 1.00 0.00 O ATOM 561 CB ASP A 54 -2.484 -14.997 0.063 1.00 0.00 C ATOM 562 CG ASP A 54 -1.687 -15.035 1.378 1.00 0.00 C ATOM 563 OD1 ASP A 54 -2.202 -14.541 2.410 1.00 0.00 O ATOM 564 OD2 ASP A 54 -0.545 -15.548 1.391 1.00 0.00 O ATOM 0 H ASP A 54 -3.373 -12.972 1.195 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.490 -13.272 -0.830 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.509 -15.309 0.263 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.059 -15.725 -0.628 1.00 0.00 H new ATOM 569 N SER A 55 -4.614 -13.661 -1.849 1.00 0.00 N ATOM 570 CA SER A 55 -5.548 -13.766 -2.991 1.00 0.00 C ATOM 571 C SER A 55 -5.374 -12.592 -3.982 1.00 0.00 C ATOM 572 O SER A 55 -5.598 -12.743 -5.184 1.00 0.00 O ATOM 573 CB SER A 55 -6.999 -13.798 -2.459 1.00 0.00 C ATOM 574 OG SER A 55 -7.936 -14.049 -3.490 1.00 0.00 O ATOM 0 H SER A 55 -5.087 -13.537 -0.954 1.00 0.00 H new ATOM 0 HA SER A 55 -5.327 -14.686 -3.531 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.087 -14.569 -1.693 1.00 0.00 H new ATOM 0 HB3 SER A 55 -7.231 -12.846 -1.982 1.00 0.00 H new ATOM 0 HG SER A 55 -8.841 -14.063 -3.114 1.00 0.00 H new ATOM 580 N PHE A 56 -4.977 -11.428 -3.456 1.00 0.00 N ATOM 581 CA PHE A 56 -4.691 -10.234 -4.269 1.00 0.00 C ATOM 582 C PHE A 56 -3.336 -10.371 -4.992 1.00 0.00 C ATOM 583 O PHE A 56 -3.204 -10.017 -6.173 1.00 0.00 O ATOM 584 CB PHE A 56 -4.684 -8.981 -3.357 1.00 0.00 C ATOM 585 CG PHE A 56 -4.433 -7.660 -4.085 1.00 0.00 C ATOM 586 CD1 PHE A 56 -5.285 -7.236 -5.101 1.00 0.00 C ATOM 587 CD2 PHE A 56 -3.345 -6.852 -3.760 1.00 0.00 C ATOM 588 CE1 PHE A 56 -5.060 -6.046 -5.761 1.00 0.00 C ATOM 589 CE2 PHE A 56 -3.129 -5.663 -4.418 1.00 0.00 C ATOM 590 CZ PHE A 56 -3.978 -5.265 -5.424 1.00 0.00 C ATOM 0 H PHE A 56 -4.844 -11.284 -2.455 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.468 -10.131 -5.026 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.642 -8.919 -2.841 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.918 -9.110 -2.592 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -6.133 -7.846 -5.376 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.663 -7.163 -2.982 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.733 -5.727 -6.543 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.290 -5.040 -4.144 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.796 -4.339 -5.950 1.00 0.00 H new ATOM 600 N LEU A 57 -2.345 -10.896 -4.251 1.00 0.00 N ATOM 601 CA LEU A 57 -0.935 -10.882 -4.672 1.00 0.00 C ATOM 602 C LEU A 57 -0.656 -11.898 -5.782 1.00 0.00 C ATOM 603 O LEU A 57 -0.039 -11.553 -6.784 1.00 0.00 O ATOM 604 CB LEU A 57 0.003 -11.126 -3.464 1.00 0.00 C ATOM 605 CG LEU A 57 -0.199 -10.183 -2.245 1.00 0.00 C ATOM 606 CD1 LEU A 57 0.948 -10.311 -1.225 1.00 0.00 C ATOM 607 CD2 LEU A 57 -0.426 -8.728 -2.699 1.00 0.00 C ATOM 0 H LEU A 57 -2.499 -11.341 -3.346 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.732 -9.891 -5.078 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.129 -12.155 -3.129 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.034 -11.032 -3.805 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.104 -10.500 -1.727 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.768 -9.635 -0.389 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.997 -11.337 -0.859 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.892 -10.052 -1.704 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.564 -8.092 -1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.440 -8.384 -3.265 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.314 -8.678 -3.329 1.00 0.00 H new ATOM 619 N ALA A 58 -1.107 -13.143 -5.583 1.00 0.00 N ATOM 620 CA ALA A 58 -0.872 -14.254 -6.529 1.00 0.00 C ATOM 621 C ALA A 58 -1.502 -13.960 -7.908 1.00 0.00 C ATOM 622 O ALA A 58 -0.837 -14.101 -8.943 1.00 0.00 O ATOM 623 CB ALA A 58 -1.423 -15.566 -5.941 1.00 0.00 C ATOM 0 H ALA A 58 -1.647 -13.414 -4.761 1.00 0.00 H new ATOM 0 HA ALA A 58 0.203 -14.359 -6.679 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.247 -16.381 -6.643 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.919 -15.783 -4.999 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.494 -15.464 -5.764 1.00 0.00 H new ATOM 629 N GLU A 59 -2.776 -13.526 -7.899 1.00 0.00 N ATOM 630 CA GLU A 59 -3.545 -13.216 -9.130 1.00 0.00 C ATOM 631 C GLU A 59 -2.896 -12.092 -9.975 1.00 0.00 C ATOM 632 O GLU A 59 -3.031 -12.085 -11.200 1.00 0.00 O ATOM 633 CB GLU A 59 -5.008 -12.838 -8.773 1.00 0.00 C ATOM 634 CG GLU A 59 -5.791 -13.944 -8.034 1.00 0.00 C ATOM 635 CD GLU A 59 -5.873 -15.284 -8.797 1.00 0.00 C ATOM 636 OE1 GLU A 59 -6.810 -15.462 -9.611 1.00 0.00 O ATOM 637 OE2 GLU A 59 -5.015 -16.174 -8.576 1.00 0.00 O ATOM 0 H GLU A 59 -3.306 -13.379 -7.040 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.539 -14.119 -9.740 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.998 -11.941 -8.153 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.539 -12.585 -9.691 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.322 -14.119 -7.066 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.803 -13.588 -7.839 1.00 0.00 H new ATOM 644 N HIS A 60 -2.191 -11.151 -9.315 1.00 0.00 N ATOM 645 CA HIS A 60 -1.593 -9.968 -9.990 1.00 0.00 C ATOM 646 C HIS A 60 -0.051 -10.002 -9.975 1.00 0.00 C ATOM 647 O HIS A 60 0.591 -9.074 -10.482 1.00 0.00 O ATOM 648 CB HIS A 60 -2.113 -8.669 -9.325 1.00 0.00 C ATOM 649 CG HIS A 60 -3.613 -8.546 -9.356 1.00 0.00 C ATOM 650 ND1 HIS A 60 -4.376 -8.346 -8.229 1.00 0.00 N ATOM 651 CD2 HIS A 60 -4.486 -8.610 -10.388 1.00 0.00 C ATOM 652 CE1 HIS A 60 -5.648 -8.293 -8.566 1.00 0.00 C ATOM 653 NE2 HIS A 60 -5.739 -8.452 -9.869 1.00 0.00 N ATOM 0 H HIS A 60 -2.018 -11.183 -8.310 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.900 -9.993 -11.036 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.774 -8.638 -8.290 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.674 -7.809 -9.830 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -4.013 -8.253 -7.280 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -4.238 -8.758 -11.429 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -6.476 -8.144 -7.888 1.00 0.00 H new ATOM 662 N LYS A 61 0.513 -11.082 -9.384 1.00 0.00 N ATOM 663 CA LYS A 61 1.976 -11.322 -9.286 1.00 0.00 C ATOM 664 C LYS A 61 2.706 -10.140 -8.605 1.00 0.00 C ATOM 665 O LYS A 61 3.769 -9.702 -9.052 1.00 0.00 O ATOM 666 CB LYS A 61 2.569 -11.651 -10.687 1.00 0.00 C ATOM 667 CG LYS A 61 1.973 -12.914 -11.347 1.00 0.00 C ATOM 668 CD LYS A 61 2.254 -14.207 -10.546 1.00 0.00 C ATOM 669 CE LYS A 61 1.641 -15.447 -11.206 1.00 0.00 C ATOM 670 NZ LYS A 61 1.971 -16.684 -10.464 1.00 0.00 N ATOM 0 H LYS A 61 -0.042 -11.823 -8.955 1.00 0.00 H new ATOM 0 HA LYS A 61 2.136 -12.190 -8.647 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.406 -10.799 -11.347 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.647 -11.779 -10.592 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.896 -12.787 -11.454 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.383 -13.020 -12.351 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.331 -14.345 -10.450 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.855 -14.101 -9.537 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.558 -15.333 -11.259 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.003 -15.530 -12.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.539 -17.501 -10.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.003 -16.806 -10.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.603 -16.615 -9.494 1.00 0.00 H new ATOM 684 N LEU A 62 2.112 -9.656 -7.498 1.00 0.00 N ATOM 685 CA LEU A 62 2.649 -8.535 -6.693 1.00 0.00 C ATOM 686 C LEU A 62 3.485 -9.045 -5.504 1.00 0.00 C ATOM 687 O LEU A 62 4.172 -8.258 -4.854 1.00 0.00 O ATOM 688 CB LEU A 62 1.479 -7.636 -6.204 1.00 0.00 C ATOM 689 CG LEU A 62 0.663 -6.937 -7.338 1.00 0.00 C ATOM 690 CD1 LEU A 62 -0.607 -6.260 -6.791 1.00 0.00 C ATOM 691 CD2 LEU A 62 1.540 -5.933 -8.131 1.00 0.00 C ATOM 0 H LEU A 62 1.238 -10.033 -7.131 1.00 0.00 H new ATOM 0 HA LEU A 62 3.313 -7.944 -7.323 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.798 -8.244 -5.609 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.882 -6.870 -5.542 1.00 0.00 H new ATOM 0 HG LEU A 62 0.343 -7.715 -8.031 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.147 -5.785 -7.610 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.245 -7.009 -6.321 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.329 -5.506 -6.054 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.941 -5.465 -8.912 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.918 -5.166 -7.454 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.378 -6.462 -8.585 1.00 0.00 H new ATOM 703 N LEU A 63 3.417 -10.371 -5.227 1.00 0.00 N ATOM 704 CA LEU A 63 4.218 -11.019 -4.162 1.00 0.00 C ATOM 705 C LEU A 63 5.658 -11.291 -4.629 1.00 0.00 C ATOM 706 O LEU A 63 5.991 -11.139 -5.819 1.00 0.00 O ATOM 707 CB LEU A 63 3.520 -12.323 -3.625 1.00 0.00 C ATOM 708 CG LEU A 63 2.855 -13.302 -4.666 1.00 0.00 C ATOM 709 CD1 LEU A 63 3.856 -13.930 -5.661 1.00 0.00 C ATOM 710 CD2 LEU A 63 2.037 -14.394 -3.931 1.00 0.00 C ATOM 0 H LEU A 63 2.810 -11.016 -5.732 1.00 0.00 H new ATOM 0 HA LEU A 63 4.277 -10.322 -3.326 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.263 -12.890 -3.064 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.750 -12.019 -2.916 1.00 0.00 H new ATOM 0 HG LEU A 63 2.184 -12.695 -5.274 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.323 -14.591 -6.345 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.348 -13.141 -6.229 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.604 -14.502 -5.112 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.583 -15.063 -4.662 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.697 -14.965 -3.277 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.255 -13.923 -3.335 1.00 0.00 H new ATOM 722 N GLY A 64 6.488 -11.720 -3.668 1.00 0.00 N ATOM 723 CA GLY A 64 7.881 -12.063 -3.920 1.00 0.00 C ATOM 724 C GLY A 64 8.801 -10.851 -3.857 1.00 0.00 C ATOM 725 O GLY A 64 8.507 -9.874 -3.146 1.00 0.00 O ATOM 0 H GLY A 64 6.205 -11.837 -2.695 1.00 0.00 H new ATOM 0 HA2 GLY A 64 8.208 -12.802 -3.188 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.965 -12.528 -4.902 1.00 0.00 H new ATOM 729 N ASN A 65 9.932 -10.927 -4.582 1.00 0.00 N ATOM 730 CA ASN A 65 10.879 -9.812 -4.712 1.00 0.00 C ATOM 731 C ASN A 65 10.235 -8.708 -5.559 1.00 0.00 C ATOM 732 O ASN A 65 9.887 -8.944 -6.723 1.00 0.00 O ATOM 733 CB ASN A 65 12.212 -10.285 -5.350 1.00 0.00 C ATOM 734 CG ASN A 65 12.939 -11.394 -4.571 1.00 0.00 C ATOM 735 OD1 ASN A 65 13.643 -12.220 -5.162 1.00 0.00 O ATOM 736 ND2 ASN A 65 12.808 -11.424 -3.244 1.00 0.00 N ATOM 0 H ASN A 65 10.212 -11.764 -5.093 1.00 0.00 H new ATOM 0 HA ASN A 65 11.112 -9.422 -3.721 1.00 0.00 H new ATOM 0 HB2 ASN A 65 12.009 -10.642 -6.360 1.00 0.00 H new ATOM 0 HB3 ASN A 65 12.879 -9.428 -5.443 1.00 0.00 H new ATOM 0 HD21 ASN A 65 13.293 -12.137 -2.700 1.00 0.00 H new ATOM 0 HD22 ASN A 65 12.223 -10.734 -2.774 1.00 0.00 H new ATOM 743 N ILE A 66 10.066 -7.522 -4.947 1.00 0.00 N ATOM 744 CA ILE A 66 9.423 -6.349 -5.581 1.00 0.00 C ATOM 745 C ILE A 66 10.126 -5.988 -6.906 1.00 0.00 C ATOM 746 O ILE A 66 9.466 -5.635 -7.871 1.00 0.00 O ATOM 747 CB ILE A 66 9.435 -5.097 -4.620 1.00 0.00 C ATOM 748 CG1 ILE A 66 8.803 -5.454 -3.238 1.00 0.00 C ATOM 749 CG2 ILE A 66 8.717 -3.877 -5.256 1.00 0.00 C ATOM 750 CD1 ILE A 66 8.899 -4.359 -2.188 1.00 0.00 C ATOM 0 H ILE A 66 10.373 -7.346 -3.990 1.00 0.00 H new ATOM 0 HA ILE A 66 8.387 -6.620 -5.787 1.00 0.00 H new ATOM 0 HB ILE A 66 10.476 -4.816 -4.461 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.752 -5.702 -3.389 1.00 0.00 H new ATOM 0 HG13 ILE A 66 9.290 -6.350 -2.853 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.747 -3.036 -4.564 1.00 0.00 H new ATOM 0 HG22 ILE A 66 9.220 -3.602 -6.183 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.680 -4.135 -5.469 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.433 -4.700 -1.263 1.00 0.00 H new ATOM 0 HD12 ILE A 66 9.947 -4.125 -2.001 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.386 -3.466 -2.545 1.00 0.00 H new ATOM 762 N LYS A 67 11.470 -6.093 -6.923 1.00 0.00 N ATOM 763 CA LYS A 67 12.312 -5.826 -8.117 1.00 0.00 C ATOM 764 C LYS A 67 11.861 -6.648 -9.359 1.00 0.00 C ATOM 765 O LYS A 67 11.815 -6.111 -10.478 1.00 0.00 O ATOM 766 CB LYS A 67 13.807 -6.119 -7.783 1.00 0.00 C ATOM 767 CG LYS A 67 14.070 -7.537 -7.224 1.00 0.00 C ATOM 768 CD LYS A 67 15.558 -7.826 -6.943 1.00 0.00 C ATOM 769 CE LYS A 67 15.769 -9.216 -6.315 1.00 0.00 C ATOM 770 NZ LYS A 67 17.194 -9.479 -6.009 1.00 0.00 N ATOM 0 H LYS A 67 12.011 -6.368 -6.103 1.00 0.00 H new ATOM 0 HA LYS A 67 12.192 -4.774 -8.375 1.00 0.00 H new ATOM 0 HB2 LYS A 67 14.402 -5.981 -8.686 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.155 -5.385 -7.056 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.504 -7.665 -6.302 1.00 0.00 H new ATOM 0 HG3 LYS A 67 13.694 -8.273 -7.934 1.00 0.00 H new ATOM 0 HD2 LYS A 67 16.122 -7.760 -7.873 1.00 0.00 H new ATOM 0 HD3 LYS A 67 15.955 -7.062 -6.274 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.182 -9.293 -5.400 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.398 -9.981 -6.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.290 -10.425 -5.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 17.752 -9.432 -6.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 17.543 -8.765 -5.338 1.00 0.00 H new ATOM 784 N ASN A 68 11.541 -7.948 -9.141 1.00 0.00 N ATOM 785 CA ASN A 68 11.075 -8.880 -10.204 1.00 0.00 C ATOM 786 C ASN A 68 9.788 -8.355 -10.848 1.00 0.00 C ATOM 787 O ASN A 68 9.604 -8.400 -12.072 1.00 0.00 O ATOM 788 CB ASN A 68 10.811 -10.306 -9.628 1.00 0.00 C ATOM 789 CG ASN A 68 12.064 -11.038 -9.144 1.00 0.00 C ATOM 790 OD1 ASN A 68 13.046 -10.429 -8.713 1.00 0.00 O ATOM 791 ND2 ASN A 68 12.019 -12.362 -9.192 1.00 0.00 N ATOM 0 H ASN A 68 11.598 -8.383 -8.220 1.00 0.00 H new ATOM 0 HA ASN A 68 11.863 -8.942 -10.954 1.00 0.00 H new ATOM 0 HB2 ASN A 68 10.110 -10.224 -8.797 1.00 0.00 H new ATOM 0 HB3 ASN A 68 10.327 -10.910 -10.395 1.00 0.00 H new ATOM 0 HD21 ASN A 68 12.814 -12.911 -8.866 1.00 0.00 H new ATOM 0 HD22 ASN A 68 11.189 -12.831 -9.555 1.00 0.00 H new ATOM 798 N VAL A 69 8.914 -7.849 -9.975 1.00 0.00 N ATOM 799 CA VAL A 69 7.625 -7.277 -10.358 1.00 0.00 C ATOM 800 C VAL A 69 7.840 -5.918 -11.078 1.00 0.00 C ATOM 801 O VAL A 69 7.319 -5.695 -12.161 1.00 0.00 O ATOM 802 CB VAL A 69 6.709 -7.075 -9.085 1.00 0.00 C ATOM 803 CG1 VAL A 69 5.274 -6.664 -9.479 1.00 0.00 C ATOM 804 CG2 VAL A 69 6.703 -8.335 -8.178 1.00 0.00 C ATOM 0 H VAL A 69 9.086 -7.826 -8.970 1.00 0.00 H new ATOM 0 HA VAL A 69 7.127 -7.967 -11.039 1.00 0.00 H new ATOM 0 HB VAL A 69 7.139 -6.257 -8.507 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.673 -6.534 -8.579 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.304 -5.727 -10.034 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.831 -7.441 -10.102 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.063 -8.158 -7.314 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.324 -9.187 -8.742 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.718 -8.545 -7.841 1.00 0.00 H new ATOM 814 N ALA A 70 8.727 -5.087 -10.502 1.00 0.00 N ATOM 815 CA ALA A 70 8.907 -3.658 -10.865 1.00 0.00 C ATOM 816 C ALA A 70 9.800 -3.448 -12.101 1.00 0.00 C ATOM 817 O ALA A 70 10.157 -2.309 -12.416 1.00 0.00 O ATOM 818 CB ALA A 70 9.481 -2.893 -9.650 1.00 0.00 C ATOM 0 H ALA A 70 9.354 -5.390 -9.756 1.00 0.00 H new ATOM 0 HA ALA A 70 7.926 -3.267 -11.134 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.615 -1.843 -9.911 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.790 -2.973 -8.811 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.443 -3.323 -9.371 1.00 0.00 H new ATOM 824 N LYS A 71 10.189 -4.528 -12.791 1.00 0.00 N ATOM 825 CA LYS A 71 10.902 -4.415 -14.085 1.00 0.00 C ATOM 826 C LYS A 71 9.919 -4.514 -15.271 1.00 0.00 C ATOM 827 O LYS A 71 10.260 -4.112 -16.388 1.00 0.00 O ATOM 828 CB LYS A 71 12.029 -5.476 -14.202 1.00 0.00 C ATOM 829 CG LYS A 71 11.556 -6.943 -14.233 1.00 0.00 C ATOM 830 CD LYS A 71 12.729 -7.949 -14.333 1.00 0.00 C ATOM 831 CE LYS A 71 13.591 -7.754 -15.595 1.00 0.00 C ATOM 832 NZ LYS A 71 14.770 -8.652 -15.625 1.00 0.00 N ATOM 0 H LYS A 71 10.027 -5.487 -12.484 1.00 0.00 H new ATOM 0 HA LYS A 71 11.370 -3.431 -14.120 1.00 0.00 H new ATOM 0 HB2 LYS A 71 12.599 -5.277 -15.109 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.712 -5.350 -13.362 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.979 -7.153 -13.333 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.887 -7.086 -15.081 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.361 -7.849 -13.450 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.330 -8.964 -14.326 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.980 -7.934 -16.479 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.927 -6.718 -15.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 15.315 -8.480 -16.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 15.370 -8.465 -14.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.453 -9.642 -15.606 1.00 0.00 H new ATOM 846 N THR A 72 8.705 -5.059 -15.018 1.00 0.00 N ATOM 847 CA THR A 72 7.709 -5.346 -16.073 1.00 0.00 C ATOM 848 C THR A 72 6.286 -4.849 -15.699 1.00 0.00 C ATOM 849 O THR A 72 5.407 -4.763 -16.571 1.00 0.00 O ATOM 850 CB THR A 72 7.688 -6.885 -16.388 1.00 0.00 C ATOM 851 OG1 THR A 72 6.828 -7.162 -17.507 1.00 0.00 O ATOM 852 CG2 THR A 72 7.240 -7.724 -15.171 1.00 0.00 C ATOM 0 H THR A 72 8.392 -5.310 -14.080 1.00 0.00 H new ATOM 0 HA THR A 72 8.012 -4.796 -16.964 1.00 0.00 H new ATOM 0 HB THR A 72 8.711 -7.170 -16.634 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.218 -6.408 -17.645 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.241 -8.781 -15.437 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.928 -7.558 -14.342 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.235 -7.426 -14.874 1.00 0.00 H new ATOM 860 N ALA A 73 6.056 -4.508 -14.417 1.00 0.00 N ATOM 861 CA ALA A 73 4.769 -3.959 -13.954 1.00 0.00 C ATOM 862 C ALA A 73 4.760 -2.452 -14.207 1.00 0.00 C ATOM 863 O ALA A 73 5.403 -1.685 -13.468 1.00 0.00 O ATOM 864 CB ALA A 73 4.530 -4.276 -12.467 1.00 0.00 C ATOM 0 H ALA A 73 6.752 -4.605 -13.678 1.00 0.00 H new ATOM 0 HA ALA A 73 3.955 -4.425 -14.510 1.00 0.00 H new ATOM 0 HB1 ALA A 73 3.573 -3.858 -12.155 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.518 -5.356 -12.323 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.329 -3.838 -11.869 1.00 0.00 H new ATOM 870 N ASN A 74 4.098 -2.046 -15.306 1.00 0.00 N ATOM 871 CA ASN A 74 3.973 -0.633 -15.678 1.00 0.00 C ATOM 872 C ASN A 74 3.071 0.102 -14.671 1.00 0.00 C ATOM 873 O ASN A 74 2.328 -0.529 -13.917 1.00 0.00 O ATOM 874 CB ASN A 74 3.476 -0.470 -17.156 1.00 0.00 C ATOM 875 CG ASN A 74 2.103 -1.091 -17.482 1.00 0.00 C ATOM 876 OD1 ASN A 74 1.222 -1.150 -16.659 1.00 0.00 O ATOM 877 ND2 ASN A 74 1.912 -1.549 -18.707 1.00 0.00 N ATOM 0 H ASN A 74 3.639 -2.686 -15.954 1.00 0.00 H new ATOM 0 HA ASN A 74 4.960 -0.172 -15.636 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.435 0.594 -17.389 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.219 -0.913 -17.819 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.013 -1.957 -18.965 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.663 -1.494 -19.395 1.00 0.00 H new ATOM 884 N LYS A 75 3.136 1.434 -14.675 1.00 0.00 N ATOM 885 CA LYS A 75 2.441 2.275 -13.686 1.00 0.00 C ATOM 886 C LYS A 75 0.906 2.190 -13.867 1.00 0.00 C ATOM 887 O LYS A 75 0.140 2.340 -12.909 1.00 0.00 O ATOM 888 CB LYS A 75 2.972 3.719 -13.799 1.00 0.00 C ATOM 889 CG LYS A 75 2.574 4.640 -12.630 1.00 0.00 C ATOM 890 CD LYS A 75 3.424 5.938 -12.536 1.00 0.00 C ATOM 891 CE LYS A 75 4.887 5.709 -12.113 1.00 0.00 C ATOM 892 NZ LYS A 75 5.704 5.142 -13.213 1.00 0.00 N ATOM 0 H LYS A 75 3.671 1.965 -15.362 1.00 0.00 H new ATOM 0 HA LYS A 75 2.646 1.913 -12.679 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.059 3.688 -13.867 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.607 4.155 -14.729 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.524 4.912 -12.735 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.668 4.087 -11.696 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.412 6.437 -13.505 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.954 6.615 -11.823 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.322 6.654 -11.789 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.915 5.035 -11.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.619 5.635 -13.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.864 4.129 -13.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.203 5.264 -14.116 1.00 0.00 H new ATOM 906 N ASP A 76 0.490 1.895 -15.107 1.00 0.00 N ATOM 907 CA ASP A 76 -0.912 1.635 -15.476 1.00 0.00 C ATOM 908 C ASP A 76 -1.462 0.392 -14.727 1.00 0.00 C ATOM 909 O ASP A 76 -2.586 0.409 -14.214 1.00 0.00 O ATOM 910 CB ASP A 76 -0.997 1.426 -17.013 1.00 0.00 C ATOM 911 CG ASP A 76 -2.399 1.028 -17.503 1.00 0.00 C ATOM 912 OD1 ASP A 76 -3.254 1.919 -17.670 1.00 0.00 O ATOM 913 OD2 ASP A 76 -2.658 -0.177 -17.712 1.00 0.00 O ATOM 0 H ASP A 76 1.130 1.829 -15.898 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.523 2.490 -15.187 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.694 2.345 -17.514 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.286 0.654 -17.306 1.00 0.00 H new ATOM 918 N HIS A 77 -0.615 -0.654 -14.635 1.00 0.00 N ATOM 919 CA HIS A 77 -0.923 -1.952 -13.985 1.00 0.00 C ATOM 920 C HIS A 77 -1.193 -1.730 -12.493 1.00 0.00 C ATOM 921 O HIS A 77 -2.052 -2.382 -11.895 1.00 0.00 O ATOM 922 CB HIS A 77 0.295 -2.918 -14.185 1.00 0.00 C ATOM 923 CG HIS A 77 0.178 -4.297 -13.586 1.00 0.00 C ATOM 924 ND1 HIS A 77 -0.038 -5.420 -14.351 1.00 0.00 N ATOM 925 CD2 HIS A 77 0.317 -4.738 -12.310 1.00 0.00 C ATOM 926 CE1 HIS A 77 -0.038 -6.483 -13.579 1.00 0.00 C ATOM 927 NE2 HIS A 77 0.176 -6.104 -12.335 1.00 0.00 N ATOM 0 H HIS A 77 0.329 -0.622 -15.020 1.00 0.00 H new ATOM 0 HA HIS A 77 -1.812 -2.395 -14.434 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.469 -3.027 -15.255 1.00 0.00 H new ATOM 0 HB3 HIS A 77 1.180 -2.440 -13.765 1.00 0.00 H new ATOM 0 HD2 HIS A 77 0.504 -4.129 -11.438 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -0.189 -7.500 -13.909 1.00 0.00 H new ATOM 0 HE2 HIS A 77 0.228 -6.722 -11.525 1.00 0.00 H new ATOM 936 N LEU A 78 -0.430 -0.790 -11.923 1.00 0.00 N ATOM 937 CA LEU A 78 -0.406 -0.512 -10.480 1.00 0.00 C ATOM 938 C LEU A 78 -1.650 0.246 -10.025 1.00 0.00 C ATOM 939 O LEU A 78 -2.135 0.019 -8.920 1.00 0.00 O ATOM 940 CB LEU A 78 0.866 0.280 -10.131 1.00 0.00 C ATOM 941 CG LEU A 78 2.183 -0.350 -10.654 1.00 0.00 C ATOM 942 CD1 LEU A 78 3.390 0.485 -10.243 1.00 0.00 C ATOM 943 CD2 LEU A 78 2.321 -1.828 -10.222 1.00 0.00 C ATOM 0 H LEU A 78 0.198 -0.191 -12.459 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.401 -1.465 -9.951 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.774 1.287 -10.538 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.931 0.378 -9.047 1.00 0.00 H new ATOM 0 HG LEU A 78 2.144 -0.348 -11.743 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.300 0.021 -10.623 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.295 1.489 -10.656 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.439 0.543 -9.156 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.256 -2.234 -10.608 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.320 -1.891 -9.134 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.485 -2.403 -10.620 1.00 0.00 H new ATOM 955 N VAL A 79 -2.136 1.164 -10.883 1.00 0.00 N ATOM 956 CA VAL A 79 -3.409 1.875 -10.660 1.00 0.00 C ATOM 957 C VAL A 79 -4.589 0.878 -10.765 1.00 0.00 C ATOM 958 O VAL A 79 -5.514 0.907 -9.946 1.00 0.00 O ATOM 959 CB VAL A 79 -3.612 3.066 -11.672 1.00 0.00 C ATOM 960 CG1 VAL A 79 -4.940 3.825 -11.399 1.00 0.00 C ATOM 961 CG2 VAL A 79 -2.399 4.036 -11.642 1.00 0.00 C ATOM 0 H VAL A 79 -1.660 1.432 -11.745 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.377 2.305 -9.659 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.678 2.639 -12.673 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.047 4.640 -12.115 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.780 3.138 -11.502 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.926 4.231 -10.387 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.565 4.848 -12.349 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -2.286 4.446 -10.638 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.494 3.495 -11.917 1.00 0.00 H new ATOM 971 N THR A 80 -4.514 -0.023 -11.768 1.00 0.00 N ATOM 972 CA THR A 80 -5.522 -1.088 -11.980 1.00 0.00 C ATOM 973 C THR A 80 -5.608 -2.018 -10.752 1.00 0.00 C ATOM 974 O THR A 80 -6.702 -2.336 -10.287 1.00 0.00 O ATOM 975 CB THR A 80 -5.192 -1.933 -13.259 1.00 0.00 C ATOM 976 OG1 THR A 80 -4.959 -1.058 -14.374 1.00 0.00 O ATOM 977 CG2 THR A 80 -6.330 -2.910 -13.628 1.00 0.00 C ATOM 0 H THR A 80 -3.757 -0.034 -12.452 1.00 0.00 H new ATOM 0 HA THR A 80 -6.486 -0.600 -12.122 1.00 0.00 H new ATOM 0 HB THR A 80 -4.301 -2.518 -13.033 1.00 0.00 H new ATOM 0 HG1 THR A 80 -4.084 -0.628 -14.275 1.00 0.00 H new ATOM 0 HG21 THR A 80 -6.053 -3.471 -14.520 1.00 0.00 H new ATOM 0 HG22 THR A 80 -6.498 -3.601 -12.802 1.00 0.00 H new ATOM 0 HG23 THR A 80 -7.243 -2.348 -13.822 1.00 0.00 H new ATOM 985 N ALA A 81 -4.441 -2.396 -10.206 1.00 0.00 N ATOM 986 CA ALA A 81 -4.341 -3.264 -9.020 1.00 0.00 C ATOM 987 C ALA A 81 -4.821 -2.529 -7.756 1.00 0.00 C ATOM 988 O ALA A 81 -5.576 -3.093 -6.958 1.00 0.00 O ATOM 989 CB ALA A 81 -2.896 -3.758 -8.844 1.00 0.00 C ATOM 0 H ALA A 81 -3.536 -2.107 -10.576 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.989 -4.127 -9.171 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.835 -4.399 -7.964 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.595 -4.323 -9.726 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.232 -2.903 -8.717 1.00 0.00 H new ATOM 995 N TYR A 82 -4.385 -1.259 -7.621 1.00 0.00 N ATOM 996 CA TYR A 82 -4.749 -0.370 -6.496 1.00 0.00 C ATOM 997 C TYR A 82 -6.277 -0.289 -6.343 1.00 0.00 C ATOM 998 O TYR A 82 -6.814 -0.620 -5.295 1.00 0.00 O ATOM 999 CB TYR A 82 -4.125 1.045 -6.718 1.00 0.00 C ATOM 1000 CG TYR A 82 -4.725 2.192 -5.877 1.00 0.00 C ATOM 1001 CD1 TYR A 82 -4.229 2.512 -4.611 1.00 0.00 C ATOM 1002 CD2 TYR A 82 -5.804 2.949 -6.361 1.00 0.00 C ATOM 1003 CE1 TYR A 82 -4.786 3.546 -3.873 1.00 0.00 C ATOM 1004 CE2 TYR A 82 -6.357 3.972 -5.632 1.00 0.00 C ATOM 1005 CZ TYR A 82 -5.854 4.265 -4.390 1.00 0.00 C ATOM 1006 OH TYR A 82 -6.416 5.289 -3.667 1.00 0.00 O ATOM 0 H TYR A 82 -3.763 -0.816 -8.298 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.348 -0.782 -5.570 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -3.057 0.986 -6.506 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.227 1.303 -7.772 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.403 1.948 -4.203 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -6.210 2.720 -7.335 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.389 3.791 -2.899 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -7.182 4.542 -6.033 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.737 5.973 -3.486 1.00 0.00 H new ATOM 1016 N ASN A 83 -6.965 0.101 -7.426 1.00 0.00 N ATOM 1017 CA ASN A 83 -8.426 0.310 -7.408 1.00 0.00 C ATOM 1018 C ASN A 83 -9.164 -1.016 -7.179 1.00 0.00 C ATOM 1019 O ASN A 83 -10.110 -1.065 -6.392 1.00 0.00 O ATOM 1020 CB ASN A 83 -8.906 1.006 -8.712 1.00 0.00 C ATOM 1021 CG ASN A 83 -8.636 2.516 -8.717 1.00 0.00 C ATOM 1022 OD1 ASN A 83 -9.469 3.301 -8.270 1.00 0.00 O ATOM 1023 ND2 ASN A 83 -7.486 2.941 -9.220 1.00 0.00 N ATOM 0 H ASN A 83 -6.532 0.280 -8.332 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.663 0.972 -6.575 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -8.406 0.550 -9.566 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -9.975 0.833 -8.838 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.277 3.939 -9.242 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.810 2.270 -9.585 1.00 0.00 H new ATOM 1030 N HIS A 84 -8.689 -2.093 -7.841 1.00 0.00 N ATOM 1031 CA HIS A 84 -9.271 -3.446 -7.708 1.00 0.00 C ATOM 1032 C HIS A 84 -9.111 -4.002 -6.276 1.00 0.00 C ATOM 1033 O HIS A 84 -9.932 -4.819 -5.842 1.00 0.00 O ATOM 1034 CB HIS A 84 -8.664 -4.427 -8.752 1.00 0.00 C ATOM 1035 CG HIS A 84 -9.168 -4.236 -10.159 1.00 0.00 C ATOM 1036 ND1 HIS A 84 -8.684 -4.959 -11.221 1.00 0.00 N ATOM 1037 CD2 HIS A 84 -10.115 -3.412 -10.673 1.00 0.00 C ATOM 1038 CE1 HIS A 84 -9.303 -4.599 -12.325 1.00 0.00 C ATOM 1039 NE2 HIS A 84 -10.177 -3.659 -12.021 1.00 0.00 N ATOM 0 H HIS A 84 -7.895 -2.050 -8.480 1.00 0.00 H new ATOM 0 HA HIS A 84 -10.339 -3.355 -7.908 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -7.580 -4.314 -8.750 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -8.879 -5.449 -8.439 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -10.709 -2.696 -10.124 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -9.126 -5.004 -13.311 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -10.798 -3.192 -12.681 1.00 0.00 H new ATOM 1048 N LEU A 85 -8.074 -3.539 -5.549 1.00 0.00 N ATOM 1049 CA LEU A 85 -7.826 -3.947 -4.148 1.00 0.00 C ATOM 1050 C LEU A 85 -9.044 -3.605 -3.272 1.00 0.00 C ATOM 1051 O LEU A 85 -9.616 -4.459 -2.600 1.00 0.00 O ATOM 1052 CB LEU A 85 -6.569 -3.202 -3.610 1.00 0.00 C ATOM 1053 CG LEU A 85 -6.142 -3.487 -2.140 1.00 0.00 C ATOM 1054 CD1 LEU A 85 -5.851 -4.978 -1.931 1.00 0.00 C ATOM 1055 CD2 LEU A 85 -4.940 -2.604 -1.714 1.00 0.00 C ATOM 0 H LEU A 85 -7.388 -2.876 -5.912 1.00 0.00 H new ATOM 0 HA LEU A 85 -7.659 -5.024 -4.113 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.728 -3.448 -4.259 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.745 -2.131 -3.708 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.979 -3.220 -1.494 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.555 -5.149 -0.896 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.747 -5.558 -2.153 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.044 -5.288 -2.595 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.670 -2.830 -0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.090 -2.808 -2.365 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.215 -1.552 -1.795 1.00 0.00 H new ATOM 1067 N PHE A 86 -9.422 -2.330 -3.334 1.00 0.00 N ATOM 1068 CA PHE A 86 -10.563 -1.771 -2.585 1.00 0.00 C ATOM 1069 C PHE A 86 -11.910 -2.183 -3.223 1.00 0.00 C ATOM 1070 O PHE A 86 -12.930 -2.279 -2.538 1.00 0.00 O ATOM 1071 CB PHE A 86 -10.420 -0.232 -2.513 1.00 0.00 C ATOM 1072 CG PHE A 86 -9.011 0.234 -2.122 1.00 0.00 C ATOM 1073 CD1 PHE A 86 -8.518 0.099 -0.821 1.00 0.00 C ATOM 1074 CD2 PHE A 86 -8.174 0.787 -3.073 1.00 0.00 C ATOM 1075 CE1 PHE A 86 -7.229 0.514 -0.505 1.00 0.00 C ATOM 1076 CE2 PHE A 86 -6.904 1.187 -2.750 1.00 0.00 C ATOM 1077 CZ PHE A 86 -6.432 1.053 -1.473 1.00 0.00 C ATOM 0 H PHE A 86 -8.942 -1.640 -3.912 1.00 0.00 H new ATOM 0 HA PHE A 86 -10.557 -2.175 -1.573 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -10.680 0.195 -3.482 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -11.137 0.158 -1.790 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -9.144 -0.332 -0.054 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -8.527 0.906 -4.087 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -6.859 0.410 0.504 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -6.268 1.613 -3.512 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.429 1.373 -1.231 1.00 0.00 H new ATOM 1087 N GLU A 87 -11.882 -2.452 -4.541 1.00 0.00 N ATOM 1088 CA GLU A 87 -13.080 -2.791 -5.349 1.00 0.00 C ATOM 1089 C GLU A 87 -13.640 -4.175 -4.984 1.00 0.00 C ATOM 1090 O GLU A 87 -14.832 -4.443 -5.157 1.00 0.00 O ATOM 1091 CB GLU A 87 -12.707 -2.747 -6.858 1.00 0.00 C ATOM 1092 CG GLU A 87 -13.871 -2.934 -7.842 1.00 0.00 C ATOM 1093 CD GLU A 87 -14.939 -1.838 -7.724 1.00 0.00 C ATOM 1094 OE1 GLU A 87 -14.636 -0.667 -8.052 1.00 0.00 O ATOM 1095 OE2 GLU A 87 -16.084 -2.136 -7.313 1.00 0.00 O ATOM 0 H GLU A 87 -11.020 -2.441 -5.086 1.00 0.00 H new ATOM 0 HA GLU A 87 -13.857 -2.058 -5.134 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.230 -1.789 -7.067 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -11.965 -3.521 -7.052 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -13.481 -2.945 -8.860 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -14.334 -3.905 -7.668 1.00 0.00 H new ATOM 1102 N THR A 88 -12.774 -5.053 -4.467 1.00 0.00 N ATOM 1103 CA THR A 88 -13.152 -6.415 -4.049 1.00 0.00 C ATOM 1104 C THR A 88 -12.779 -6.659 -2.574 1.00 0.00 C ATOM 1105 O THR A 88 -13.029 -7.750 -2.046 1.00 0.00 O ATOM 1106 CB THR A 88 -12.469 -7.480 -4.965 1.00 0.00 C ATOM 1107 OG1 THR A 88 -11.056 -7.240 -4.993 1.00 0.00 O ATOM 1108 CG2 THR A 88 -13.020 -7.452 -6.410 1.00 0.00 C ATOM 0 H THR A 88 -11.786 -4.842 -4.325 1.00 0.00 H new ATOM 0 HA THR A 88 -14.233 -6.512 -4.150 1.00 0.00 H new ATOM 0 HB THR A 88 -12.687 -8.463 -4.549 1.00 0.00 H new ATOM 0 HG1 THR A 88 -10.878 -6.387 -5.441 1.00 0.00 H new ATOM 0 HG21 THR A 88 -12.514 -8.210 -7.007 1.00 0.00 H new ATOM 0 HG22 THR A 88 -14.090 -7.657 -6.395 1.00 0.00 H new ATOM 0 HG23 THR A 88 -12.845 -6.469 -6.847 1.00 0.00 H new ATOM 1116 N LYS A 89 -12.203 -5.616 -1.919 1.00 0.00 N ATOM 1117 CA LYS A 89 -11.720 -5.679 -0.518 1.00 0.00 C ATOM 1118 C LYS A 89 -10.720 -6.857 -0.336 1.00 0.00 C ATOM 1119 O LYS A 89 -10.704 -7.541 0.683 1.00 0.00 O ATOM 1120 CB LYS A 89 -12.929 -5.746 0.472 1.00 0.00 C ATOM 1121 CG LYS A 89 -13.965 -4.595 0.302 1.00 0.00 C ATOM 1122 CD LYS A 89 -13.371 -3.193 0.587 1.00 0.00 C ATOM 1123 CE LYS A 89 -14.367 -2.040 0.344 1.00 0.00 C ATOM 1124 NZ LYS A 89 -15.576 -2.143 1.199 1.00 0.00 N ATOM 0 H LYS A 89 -12.061 -4.704 -2.353 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.171 -4.767 -0.284 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -13.439 -6.700 0.339 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.548 -5.728 1.493 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.359 -4.616 -0.714 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -14.806 -4.770 0.973 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -13.030 -3.155 1.622 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -12.494 -3.044 -0.043 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -13.870 -1.089 0.536 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -14.666 -2.038 -0.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -16.197 -1.328 1.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -16.086 -3.021 0.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -15.294 -2.152 2.200 1.00 0.00 H new ATOM 1138 N ARG A 90 -9.859 -7.030 -1.359 1.00 0.00 N ATOM 1139 CA ARG A 90 -8.886 -8.147 -1.484 1.00 0.00 C ATOM 1140 C ARG A 90 -7.693 -8.026 -0.523 1.00 0.00 C ATOM 1141 O ARG A 90 -6.849 -8.917 -0.478 1.00 0.00 O ATOM 1142 CB ARG A 90 -8.380 -8.239 -2.957 1.00 0.00 C ATOM 1143 CG ARG A 90 -9.000 -9.380 -3.777 1.00 0.00 C ATOM 1144 CD ARG A 90 -8.434 -9.430 -5.194 1.00 0.00 C ATOM 1145 NE ARG A 90 -8.919 -10.612 -5.927 1.00 0.00 N ATOM 1146 CZ ARG A 90 -8.831 -10.809 -7.247 1.00 0.00 C ATOM 1147 NH1 ARG A 90 -8.411 -9.848 -8.048 1.00 0.00 N ATOM 1148 NH2 ARG A 90 -9.204 -11.971 -7.762 1.00 0.00 N ATOM 0 H ARG A 90 -9.816 -6.382 -2.145 1.00 0.00 H new ATOM 0 HA ARG A 90 -9.414 -9.059 -1.206 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.589 -7.294 -3.458 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -7.297 -8.363 -2.948 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.813 -10.330 -3.277 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.081 -9.250 -3.822 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.717 -8.525 -5.732 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.345 -9.448 -5.152 1.00 0.00 H new ATOM 0 HE ARG A 90 -9.363 -11.348 -5.377 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.148 -8.941 -7.662 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.349 -10.012 -9.053 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -9.556 -12.709 -7.153 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.139 -12.127 -8.768 1.00 0.00 H new ATOM 1162 N PHE A 91 -7.595 -6.894 0.165 1.00 0.00 N ATOM 1163 CA PHE A 91 -6.668 -6.710 1.299 1.00 0.00 C ATOM 1164 C PHE A 91 -7.091 -7.557 2.511 1.00 0.00 C ATOM 1165 O PHE A 91 -8.217 -8.076 2.540 1.00 0.00 O ATOM 1166 CB PHE A 91 -6.547 -5.209 1.687 1.00 0.00 C ATOM 1167 CG PHE A 91 -7.874 -4.460 1.835 1.00 0.00 C ATOM 1168 CD1 PHE A 91 -8.793 -4.784 2.838 1.00 0.00 C ATOM 1169 CD2 PHE A 91 -8.197 -3.426 0.966 1.00 0.00 C ATOM 1170 CE1 PHE A 91 -9.982 -4.098 2.960 1.00 0.00 C ATOM 1171 CE2 PHE A 91 -9.386 -2.741 1.092 1.00 0.00 C ATOM 1172 CZ PHE A 91 -10.274 -3.078 2.087 1.00 0.00 C ATOM 0 H PHE A 91 -8.156 -6.067 -0.042 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.685 -7.055 0.978 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -6.002 -5.137 2.628 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.946 -4.703 0.931 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.568 -5.584 3.528 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -7.507 -3.155 0.181 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -10.682 -4.361 3.739 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -9.621 -1.938 0.409 1.00 0.00 H new ATOM 0 HZ PHE A 91 -11.205 -2.539 2.182 1.00 0.00 H new ATOM 1182 N LYS A 92 -6.153 -7.710 3.468 1.00 0.00 N ATOM 1183 CA LYS A 92 -6.406 -8.335 4.781 1.00 0.00 C ATOM 1184 C LYS A 92 -6.493 -9.882 4.639 1.00 0.00 C ATOM 1185 O LYS A 92 -7.568 -10.415 4.289 1.00 0.00 O ATOM 1186 CB LYS A 92 -7.663 -7.698 5.464 1.00 0.00 C ATOM 1187 CG LYS A 92 -8.055 -8.269 6.840 1.00 0.00 C ATOM 1188 CD LYS A 92 -9.253 -7.521 7.478 1.00 0.00 C ATOM 1189 CE LYS A 92 -10.489 -7.419 6.565 1.00 0.00 C ATOM 1190 NZ LYS A 92 -10.973 -8.746 6.120 1.00 0.00 N ATOM 1191 OXT LYS A 92 -5.456 -10.556 4.847 1.00 0.00 O ATOM 0 H LYS A 92 -5.189 -7.400 3.349 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.566 -8.135 5.447 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -7.487 -6.628 5.575 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -8.513 -7.813 4.791 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -8.306 -9.324 6.733 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -7.197 -8.212 7.510 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -9.536 -8.030 8.399 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.935 -6.516 7.754 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -11.289 -6.903 7.097 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -10.244 -6.813 5.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -11.816 -8.626 5.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -10.227 -9.223 5.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -11.217 -9.323 6.950 1.00 0.00 H new