USER MOD reduce.3.24.130724 H: found=0, std=0, add=989, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 990 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 27 TYR OH : rot -95:sc= 0.0332 USER MOD Set 1.2: A 130 CYS SG : rot 80:sc= 0.601 USER MOD Set 2.1: A 51 GLN : amide:sc= 0.0646 K(o=0.022,f=-1.5) USER MOD Set 2.2: A 106 GLN : amide:sc= -0.0424 K(o=0.022,f=-1.5) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= -0.0927 USER MOD Single : A 20 GLN : amide:sc= -1.24! K(o=-1.2!,f=-0.031) USER MOD Single : A 29 THR OG1 : rot 82:sc= 1.27 USER MOD Single : A 33 LYS NZ :NH3+ -170:sc= 0.559! (180deg=0.292!) USER MOD Single : A 34 LYS NZ :NH3+ -117:sc= 0.992 (180deg=-1.08) USER MOD Single : A 37 SER OG : rot -41:sc= 0.607 USER MOD Single : A 40 ASN : amide:sc= -4.89! C(o=-4.9!,f=-4.4!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -166:sc= -1.01 (180deg=-1.49) USER MOD Single : A 47 CYS SG : rot 67:sc= 0.66 USER MOD Single : A 52 GLN : amide:sc= -0.25 K(o=-0.25,f=-3.9!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc=-0.00525 K(o=-0.0052,f=-0.85) USER MOD Single : A 60 GLN : amide:sc= -0.95 K(o=-0.95,f=-4.9!) USER MOD Single : A 63 GLN : amide:sc= -4.05! K(o=-4.1!,f=-0.38) USER MOD Single : A 67 ASN : amide:sc= -1.05 X(o=-1,f=-0.83) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.625 K(o=-0.63,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0.329 USER MOD Single : A 75 SER OG : rot 180:sc= 0.0177 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot 85:sc= 0.699 USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 101 MET CE :methyl -165:sc= -0.384 (180deg=-0.55) USER MOD Single : A 105 GLN : amide:sc= -2.13 K(o=-2.1,f=-3.8!) USER MOD Single : A 108 GLN : amide:sc= -0.0311 X(o=-0.031,f=-0.48) USER MOD Single : A 111 ASN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 113 MET CE :methyl 165:sc= -0.958 (180deg=-1.43) USER MOD Single : A 114 LYS NZ :NH3+ -167:sc= -0.0189 (180deg=-0.205) USER MOD Single : A 117 SER OG : rot 176:sc= -2.36! USER MOD Single : A 118 TYR OH : rot 14:sc= 1.2 USER MOD Single : A 123 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.129) USER MOD Single : A 124 SER OG : rot 68:sc= 0.929 USER MOD Single : A 127 TYR OH : rot 56:sc= 0.64 USER MOD ----------------------------------------------------------------- ATOM 106 N VAL A 8 -14.051 -2.769 -4.943 1.00 0.00 N ATOM 107 CA VAL A 8 -13.190 -1.671 -4.500 1.00 0.00 C ATOM 108 C VAL A 8 -13.414 -1.358 -3.011 1.00 0.00 C ATOM 109 O VAL A 8 -12.592 -0.702 -2.371 1.00 0.00 O ATOM 110 CB VAL A 8 -13.422 -0.394 -5.341 1.00 0.00 C ATOM 111 CG1 VAL A 8 -13.106 -0.649 -6.813 1.00 0.00 C ATOM 112 CG2 VAL A 8 -14.849 0.116 -5.171 1.00 0.00 C ATOM 0 HA VAL A 8 -12.159 -1.997 -4.642 1.00 0.00 H new ATOM 0 HB VAL A 8 -12.743 0.378 -4.979 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.276 0.263 -7.385 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -12.064 -0.951 -6.914 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -13.752 -1.441 -7.192 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -14.988 1.015 -5.772 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -15.551 -0.651 -5.498 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -15.029 0.350 -4.122 1.00 0.00 H new ATOM 122 N ALA A 9 -14.527 -1.849 -2.464 1.00 0.00 N ATOM 123 CA ALA A 9 -14.856 -1.665 -1.049 1.00 0.00 C ATOM 124 C ALA A 9 -13.757 -2.230 -0.142 1.00 0.00 C ATOM 125 O ALA A 9 -13.558 -1.753 0.975 1.00 0.00 O ATOM 126 CB ALA A 9 -16.194 -2.323 -0.732 1.00 0.00 C ATOM 0 H ALA A 9 -15.223 -2.383 -2.986 1.00 0.00 H new ATOM 0 HA ALA A 9 -14.930 -0.595 -0.856 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -16.429 -2.180 0.323 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -16.976 -1.871 -1.342 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -16.136 -3.389 -0.949 1.00 0.00 H new ATOM 132 N SER A 10 -13.034 -3.232 -0.644 1.00 0.00 N ATOM 133 CA SER A 10 -11.978 -3.888 0.125 1.00 0.00 C ATOM 134 C SER A 10 -10.898 -2.898 0.572 1.00 0.00 C ATOM 135 O SER A 10 -10.193 -3.146 1.553 1.00 0.00 O ATOM 136 CB SER A 10 -11.353 -5.019 -0.695 1.00 0.00 C ATOM 137 OG SER A 10 -12.316 -5.998 -1.028 1.00 0.00 O ATOM 0 H SER A 10 -13.162 -3.608 -1.584 1.00 0.00 H new ATOM 0 HA SER A 10 -12.434 -4.303 1.023 1.00 0.00 H new ATOM 0 HB2 SER A 10 -10.914 -4.612 -1.606 1.00 0.00 H new ATOM 0 HB3 SER A 10 -10.543 -5.479 -0.128 1.00 0.00 H new ATOM 0 HG SER A 10 -11.892 -6.709 -1.553 1.00 0.00 H new ATOM 143 N TRP A 11 -10.774 -1.775 -0.140 1.00 0.00 N ATOM 144 CA TRP A 11 -9.797 -0.749 0.224 1.00 0.00 C ATOM 145 C TRP A 11 -10.070 -0.242 1.643 1.00 0.00 C ATOM 146 O TRP A 11 -9.162 -0.150 2.468 1.00 0.00 O ATOM 147 CB TRP A 11 -9.842 0.440 -0.746 1.00 0.00 C ATOM 148 CG TRP A 11 -9.624 0.101 -2.196 1.00 0.00 C ATOM 149 CD1 TRP A 11 -8.944 -0.961 -2.722 1.00 0.00 C ATOM 150 CD2 TRP A 11 -10.081 0.872 -3.308 1.00 0.00 C ATOM 151 NE1 TRP A 11 -8.968 -0.895 -4.099 1.00 0.00 N ATOM 152 CE2 TRP A 11 -9.663 0.223 -4.477 1.00 0.00 C ATOM 153 CE3 TRP A 11 -10.816 2.050 -3.418 1.00 0.00 C ATOM 154 CZ2 TRP A 11 -9.953 0.720 -5.748 1.00 0.00 C ATOM 155 CZ3 TRP A 11 -11.105 2.546 -4.668 1.00 0.00 C ATOM 156 CH2 TRP A 11 -10.678 1.882 -5.825 1.00 0.00 C ATOM 0 H TRP A 11 -11.333 -1.555 -0.964 1.00 0.00 H new ATOM 0 HA TRP A 11 -8.808 -1.205 0.172 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -10.810 0.931 -0.647 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -9.085 1.163 -0.442 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -8.460 -1.736 -2.146 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -8.538 -1.569 -4.733 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -11.155 2.568 -2.533 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -9.619 0.209 -6.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -11.670 3.462 -4.759 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -10.924 2.292 -6.794 1.00 0.00 H new ATOM 167 N ALA A 12 -11.340 0.059 1.920 1.00 0.00 N ATOM 168 CA ALA A 12 -11.752 0.609 3.213 1.00 0.00 C ATOM 169 C ALA A 12 -11.752 -0.460 4.306 1.00 0.00 C ATOM 170 O ALA A 12 -12.016 -0.166 5.476 1.00 0.00 O ATOM 171 CB ALA A 12 -13.133 1.248 3.096 1.00 0.00 C ATOM 0 H ALA A 12 -12.107 -0.070 1.260 1.00 0.00 H new ATOM 0 HA ALA A 12 -11.027 1.372 3.498 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -13.429 1.654 4.063 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -13.101 2.051 2.360 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -13.856 0.496 2.781 1.00 0.00 H new ATOM 177 N LEU A 13 -11.473 -1.700 3.918 1.00 0.00 N ATOM 178 CA LEU A 13 -11.378 -2.805 4.871 1.00 0.00 C ATOM 179 C LEU A 13 -9.944 -2.951 5.374 1.00 0.00 C ATOM 180 O LEU A 13 -9.714 -3.235 6.554 1.00 0.00 O ATOM 181 CB LEU A 13 -11.853 -4.120 4.228 1.00 0.00 C ATOM 182 CG LEU A 13 -13.321 -4.137 3.765 1.00 0.00 C ATOM 183 CD1 LEU A 13 -13.681 -5.489 3.150 1.00 0.00 C ATOM 184 CD2 LEU A 13 -14.261 -3.804 4.924 1.00 0.00 C ATOM 0 H LEU A 13 -11.308 -1.968 2.948 1.00 0.00 H new ATOM 0 HA LEU A 13 -12.026 -2.582 5.719 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -11.217 -4.335 3.370 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -11.706 -4.928 4.944 1.00 0.00 H new ATOM 0 HG LEU A 13 -13.442 -3.371 2.999 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -14.723 -5.477 2.830 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -13.039 -5.680 2.290 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -13.538 -6.275 3.891 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -15.293 -3.822 4.573 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -14.135 -4.540 5.718 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -14.026 -2.812 5.309 1.00 0.00 H new ATOM 196 N SER A 14 -8.983 -2.756 4.476 1.00 0.00 N ATOM 197 CA SER A 14 -7.568 -2.860 4.821 1.00 0.00 C ATOM 198 C SER A 14 -6.723 -1.969 3.907 1.00 0.00 C ATOM 199 O SER A 14 -6.911 -1.961 2.688 1.00 0.00 O ATOM 200 CB SER A 14 -7.103 -4.319 4.705 1.00 0.00 C ATOM 201 OG SER A 14 -7.947 -5.188 5.444 1.00 0.00 O ATOM 0 H SER A 14 -9.159 -2.524 3.499 1.00 0.00 H new ATOM 0 HA SER A 14 -7.439 -2.524 5.850 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.096 -4.619 3.657 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.079 -4.407 5.068 1.00 0.00 H new ATOM 0 HG SER A 14 -7.629 -6.110 5.351 1.00 0.00 H new ATOM 207 N PHE A 15 -5.791 -1.231 4.506 1.00 0.00 N ATOM 208 CA PHE A 15 -4.889 -0.363 3.752 1.00 0.00 C ATOM 209 C PHE A 15 -3.979 -1.211 2.872 1.00 0.00 C ATOM 210 O PHE A 15 -3.725 -0.874 1.719 1.00 0.00 O ATOM 211 CB PHE A 15 -4.058 0.505 4.708 1.00 0.00 C ATOM 212 CG PHE A 15 -3.015 1.351 4.016 1.00 0.00 C ATOM 213 CD1 PHE A 15 -3.367 2.196 2.972 1.00 0.00 C ATOM 214 CD2 PHE A 15 -1.685 1.301 4.409 1.00 0.00 C ATOM 215 CE1 PHE A 15 -2.418 2.972 2.337 1.00 0.00 C ATOM 216 CE2 PHE A 15 -0.732 2.074 3.775 1.00 0.00 C ATOM 217 CZ PHE A 15 -1.099 2.910 2.739 1.00 0.00 C ATOM 0 H PHE A 15 -5.640 -1.217 5.515 1.00 0.00 H new ATOM 0 HA PHE A 15 -5.478 0.299 3.118 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -4.729 1.158 5.267 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -3.564 -0.141 5.434 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -4.397 2.247 2.652 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.392 0.650 5.220 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -2.707 3.626 1.528 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.300 2.025 4.089 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.354 3.515 2.243 1.00 0.00 H new ATOM 227 N GLU A 16 -3.496 -2.309 3.442 1.00 0.00 N ATOM 228 CA GLU A 16 -2.728 -3.311 2.713 1.00 0.00 C ATOM 229 C GLU A 16 -3.403 -3.640 1.376 1.00 0.00 C ATOM 230 O GLU A 16 -2.763 -3.602 0.330 1.00 0.00 O ATOM 231 CB GLU A 16 -2.577 -4.566 3.599 1.00 0.00 C ATOM 232 CG GLU A 16 -1.901 -5.768 2.933 1.00 0.00 C ATOM 233 CD GLU A 16 -2.864 -6.616 2.109 1.00 0.00 C ATOM 234 OE1 GLU A 16 -3.875 -7.086 2.675 1.00 0.00 O ATOM 235 OE2 GLU A 16 -2.615 -6.816 0.902 1.00 0.00 O ATOM 0 H GLU A 16 -3.627 -2.530 4.429 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.736 -2.923 2.482 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.005 -4.296 4.487 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.567 -4.871 3.938 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.096 -5.414 2.289 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.443 -6.391 3.701 1.00 0.00 H new ATOM 242 N ARG A 17 -4.709 -3.925 1.421 1.00 0.00 N ATOM 243 CA ARG A 17 -5.471 -4.268 0.216 1.00 0.00 C ATOM 244 C ARG A 17 -5.452 -3.093 -0.766 1.00 0.00 C ATOM 245 O ARG A 17 -5.169 -3.270 -1.951 1.00 0.00 O ATOM 246 CB ARG A 17 -6.922 -4.650 0.589 1.00 0.00 C ATOM 247 CG ARG A 17 -7.665 -5.501 -0.454 1.00 0.00 C ATOM 248 CD ARG A 17 -7.958 -4.742 -1.749 1.00 0.00 C ATOM 249 NE ARG A 17 -8.774 -5.527 -2.684 1.00 0.00 N ATOM 250 CZ ARG A 17 -9.272 -5.052 -3.829 1.00 0.00 C ATOM 251 NH1 ARG A 17 -9.027 -3.801 -4.200 1.00 0.00 N ATOM 252 NH2 ARG A 17 -10.014 -5.833 -4.603 1.00 0.00 N ATOM 0 H ARG A 17 -5.260 -3.925 2.279 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.007 -5.129 -0.265 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -6.906 -5.194 1.533 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.489 -3.735 0.758 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -7.069 -6.384 -0.684 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.604 -5.852 -0.026 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.474 -3.811 -1.513 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.018 -4.472 -2.230 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.974 -6.498 -2.444 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.456 -3.197 -3.610 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -9.410 -3.444 -5.075 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -10.204 -6.795 -4.324 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -10.395 -5.471 -5.477 1.00 0.00 H new ATOM 266 N LEU A 18 -5.751 -1.895 -0.262 1.00 0.00 N ATOM 267 CA LEU A 18 -5.712 -0.674 -1.075 1.00 0.00 C ATOM 268 C LEU A 18 -4.349 -0.518 -1.742 1.00 0.00 C ATOM 269 O LEU A 18 -4.243 -0.156 -2.914 1.00 0.00 O ATOM 270 CB LEU A 18 -5.976 0.564 -0.198 1.00 0.00 C ATOM 271 CG LEU A 18 -5.758 1.923 -0.895 1.00 0.00 C ATOM 272 CD1 LEU A 18 -6.864 2.206 -1.902 1.00 0.00 C ATOM 273 CD2 LEU A 18 -5.644 3.054 0.123 1.00 0.00 C ATOM 0 H LEU A 18 -6.024 -1.742 0.709 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.486 -0.756 -1.838 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.003 0.520 0.164 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.327 0.514 0.677 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.815 1.868 -1.439 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.685 3.170 -2.378 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.875 1.423 -2.660 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.826 2.228 -1.390 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.491 3.999 -0.398 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.560 3.108 0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.799 2.864 0.785 1.00 0.00 H new ATOM 285 N LEU A 19 -3.320 -0.817 -0.970 1.00 0.00 N ATOM 286 CA LEU A 19 -1.943 -0.570 -1.359 1.00 0.00 C ATOM 287 C LEU A 19 -1.394 -1.721 -2.208 1.00 0.00 C ATOM 288 O LEU A 19 -0.377 -1.580 -2.889 1.00 0.00 O ATOM 289 CB LEU A 19 -1.110 -0.376 -0.084 1.00 0.00 C ATOM 290 CG LEU A 19 0.308 0.161 -0.286 1.00 0.00 C ATOM 291 CD1 LEU A 19 0.286 1.492 -1.036 1.00 0.00 C ATOM 292 CD2 LEU A 19 1.016 0.317 1.051 1.00 0.00 C ATOM 0 H LEU A 19 -3.417 -1.242 -0.048 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.889 0.328 -1.974 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.645 0.307 0.576 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.045 -1.333 0.433 1.00 0.00 H new ATOM 0 HG LEU A 19 0.859 -0.560 -0.889 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.306 1.853 -1.167 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.177 1.352 -2.013 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.287 2.222 -0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.023 0.700 0.887 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.460 1.014 1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.073 -0.651 1.548 1.00 0.00 H new ATOM 304 N GLN A 20 -2.079 -2.858 -2.155 1.00 0.00 N ATOM 305 CA GLN A 20 -1.689 -4.043 -2.923 1.00 0.00 C ATOM 306 C GLN A 20 -2.437 -4.077 -4.260 1.00 0.00 C ATOM 307 O GLN A 20 -1.975 -4.682 -5.232 1.00 0.00 O ATOM 308 CB GLN A 20 -2.002 -5.317 -2.118 1.00 0.00 C ATOM 309 CG GLN A 20 -1.279 -6.567 -2.618 1.00 0.00 C ATOM 310 CD GLN A 20 0.219 -6.535 -2.343 1.00 0.00 C ATOM 311 OE1 GLN A 20 1.019 -7.080 -3.110 1.00 0.00 O ATOM 312 NE2 GLN A 20 0.610 -5.926 -1.230 1.00 0.00 N ATOM 0 H GLN A 20 -2.914 -2.988 -1.584 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.618 -3.997 -3.118 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -1.735 -5.149 -1.075 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.077 -5.497 -2.147 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -1.712 -7.446 -2.141 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.444 -6.672 -3.690 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.079 -5.486 -0.620 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.600 -5.898 -0.985 1.00 0.00 H new ATOM 321 N ASP A 21 -3.597 -3.424 -4.292 1.00 0.00 N ATOM 322 CA ASP A 21 -4.461 -3.411 -5.474 1.00 0.00 C ATOM 323 C ASP A 21 -4.097 -2.246 -6.399 1.00 0.00 C ATOM 324 O ASP A 21 -4.070 -1.093 -5.967 1.00 0.00 O ATOM 325 CB ASP A 21 -5.933 -3.315 -5.046 1.00 0.00 C ATOM 326 CG ASP A 21 -6.894 -3.184 -6.221 1.00 0.00 C ATOM 327 OD1 ASP A 21 -6.983 -4.126 -7.036 1.00 0.00 O ATOM 328 OD2 ASP A 21 -7.578 -2.143 -6.316 1.00 0.00 O ATOM 0 H ASP A 21 -3.965 -2.891 -3.504 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.312 -4.340 -6.024 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.195 -4.201 -4.468 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.057 -2.456 -4.386 1.00 0.00 H new ATOM 333 N PRO A 22 -3.814 -2.539 -7.689 1.00 0.00 N ATOM 334 CA PRO A 22 -3.401 -1.523 -8.670 1.00 0.00 C ATOM 335 C PRO A 22 -4.379 -0.350 -8.759 1.00 0.00 C ATOM 336 O PRO A 22 -3.966 0.811 -8.736 1.00 0.00 O ATOM 337 CB PRO A 22 -3.359 -2.299 -9.995 1.00 0.00 C ATOM 338 CG PRO A 22 -3.136 -3.716 -9.593 1.00 0.00 C ATOM 339 CD PRO A 22 -3.869 -3.889 -8.290 1.00 0.00 C ATOM 0 HA PRO A 22 -2.449 -1.066 -8.399 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.290 -2.186 -10.550 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -2.558 -1.939 -10.640 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -3.516 -4.402 -10.350 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -2.073 -3.927 -9.476 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -4.896 -4.218 -8.447 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -3.389 -4.633 -7.654 1.00 0.00 H new ATOM 347 N LEU A 23 -5.673 -0.660 -8.852 1.00 0.00 N ATOM 348 CA LEU A 23 -6.704 0.373 -8.946 1.00 0.00 C ATOM 349 C LEU A 23 -6.673 1.267 -7.714 1.00 0.00 C ATOM 350 O LEU A 23 -6.636 2.496 -7.824 1.00 0.00 O ATOM 351 CB LEU A 23 -8.096 -0.259 -9.107 1.00 0.00 C ATOM 352 CG LEU A 23 -8.380 -0.890 -10.480 1.00 0.00 C ATOM 353 CD1 LEU A 23 -9.744 -1.577 -10.485 1.00 0.00 C ATOM 354 CD2 LEU A 23 -8.303 0.170 -11.580 1.00 0.00 C ATOM 0 H LEU A 23 -6.031 -1.615 -8.864 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.497 0.981 -9.827 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -8.219 -1.025 -8.342 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -8.848 0.506 -8.915 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.619 -1.645 -10.677 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.926 -2.017 -11.465 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.760 -2.360 -9.727 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.521 -0.845 -10.266 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.506 -0.292 -12.546 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.042 0.948 -11.388 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.306 0.611 -11.591 1.00 0.00 H new ATOM 366 N GLY A 24 -6.669 0.638 -6.545 1.00 0.00 N ATOM 367 CA GLY A 24 -6.643 1.371 -5.294 1.00 0.00 C ATOM 368 C GLY A 24 -5.479 2.329 -5.215 1.00 0.00 C ATOM 369 O GLY A 24 -5.661 3.528 -4.985 1.00 0.00 O ATOM 0 H GLY A 24 -6.683 -0.377 -6.441 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.575 1.925 -5.181 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.588 0.667 -4.464 1.00 0.00 H new ATOM 373 N LEU A 25 -4.283 1.797 -5.429 1.00 0.00 N ATOM 374 CA LEU A 25 -3.066 2.590 -5.367 1.00 0.00 C ATOM 375 C LEU A 25 -3.099 3.706 -6.414 1.00 0.00 C ATOM 376 O LEU A 25 -2.657 4.823 -6.150 1.00 0.00 O ATOM 377 CB LEU A 25 -1.828 1.692 -5.570 1.00 0.00 C ATOM 378 CG LEU A 25 -0.724 1.841 -4.509 1.00 0.00 C ATOM 379 CD1 LEU A 25 0.452 0.919 -4.822 1.00 0.00 C ATOM 380 CD2 LEU A 25 -0.260 3.295 -4.398 1.00 0.00 C ATOM 0 H LEU A 25 -4.131 0.813 -5.648 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.001 3.048 -4.380 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.154 0.652 -5.588 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.400 1.909 -6.549 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.141 1.549 -3.545 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.222 1.040 -4.060 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.110 -0.116 -4.832 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.865 1.174 -5.798 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.520 3.371 -3.641 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.133 3.626 -5.359 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.103 3.925 -4.115 1.00 0.00 H new ATOM 392 N ALA A 26 -3.649 3.402 -7.589 1.00 0.00 N ATOM 393 CA ALA A 26 -3.698 4.361 -8.693 1.00 0.00 C ATOM 394 C ALA A 26 -4.514 5.598 -8.322 1.00 0.00 C ATOM 395 O ALA A 26 -4.007 6.720 -8.378 1.00 0.00 O ATOM 396 CB ALA A 26 -4.263 3.712 -9.949 1.00 0.00 C ATOM 0 H ALA A 26 -4.068 2.497 -7.802 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.676 4.680 -8.895 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.290 4.444 -10.756 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.631 2.873 -10.241 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.273 3.354 -9.750 1.00 0.00 H new ATOM 402 N TYR A 27 -5.774 5.389 -7.937 1.00 0.00 N ATOM 403 CA TYR A 27 -6.656 6.497 -7.558 1.00 0.00 C ATOM 404 C TYR A 27 -6.085 7.238 -6.352 1.00 0.00 C ATOM 405 O TYR A 27 -6.120 8.471 -6.285 1.00 0.00 O ATOM 406 CB TYR A 27 -8.073 5.995 -7.244 1.00 0.00 C ATOM 407 CG TYR A 27 -8.786 5.374 -8.434 1.00 0.00 C ATOM 408 CD1 TYR A 27 -9.223 6.159 -9.497 1.00 0.00 C ATOM 409 CD2 TYR A 27 -9.023 4.005 -8.492 1.00 0.00 C ATOM 410 CE1 TYR A 27 -9.872 5.596 -10.580 1.00 0.00 C ATOM 411 CE2 TYR A 27 -9.671 3.438 -9.571 1.00 0.00 C ATOM 412 CZ TYR A 27 -10.093 4.235 -10.611 1.00 0.00 C ATOM 413 OH TYR A 27 -10.742 3.669 -11.685 1.00 0.00 O ATOM 0 H TYR A 27 -6.207 4.467 -7.879 1.00 0.00 H new ATOM 0 HA TYR A 27 -6.717 7.183 -8.403 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.017 5.259 -6.442 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.668 6.828 -6.871 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -9.052 7.225 -9.475 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -8.694 3.375 -7.679 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -10.204 6.219 -11.398 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -9.846 2.373 -9.599 1.00 0.00 H new ATOM 0 HH TYR A 27 -11.697 3.581 -11.481 1.00 0.00 H new ATOM 423 N PHE A 28 -5.546 6.470 -5.412 1.00 0.00 N ATOM 424 CA PHE A 28 -4.912 7.022 -4.220 1.00 0.00 C ATOM 425 C PHE A 28 -3.745 7.931 -4.614 1.00 0.00 C ATOM 426 O PHE A 28 -3.564 9.014 -4.053 1.00 0.00 O ATOM 427 CB PHE A 28 -4.439 5.870 -3.318 1.00 0.00 C ATOM 428 CG PHE A 28 -3.755 6.297 -2.043 1.00 0.00 C ATOM 429 CD1 PHE A 28 -4.227 7.374 -1.305 1.00 0.00 C ATOM 430 CD2 PHE A 28 -2.646 5.606 -1.577 1.00 0.00 C ATOM 431 CE1 PHE A 28 -3.604 7.751 -0.132 1.00 0.00 C ATOM 432 CE2 PHE A 28 -2.021 5.981 -0.405 1.00 0.00 C ATOM 433 CZ PHE A 28 -2.500 7.053 0.317 1.00 0.00 C ATOM 0 H PHE A 28 -5.536 5.451 -5.454 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.631 7.626 -3.667 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.300 5.253 -3.061 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.754 5.241 -3.887 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.090 7.922 -1.652 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.267 4.765 -2.138 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.980 8.591 0.434 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.158 5.435 -0.054 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.012 7.347 1.234 1.00 0.00 H new ATOM 443 N THR A 29 -2.982 7.492 -5.607 1.00 0.00 N ATOM 444 CA THR A 29 -1.835 8.244 -6.097 1.00 0.00 C ATOM 445 C THR A 29 -2.282 9.377 -7.032 1.00 0.00 C ATOM 446 O THR A 29 -1.545 10.334 -7.250 1.00 0.00 O ATOM 447 CB THR A 29 -0.836 7.305 -6.819 1.00 0.00 C ATOM 448 OG1 THR A 29 -0.398 6.283 -5.913 1.00 0.00 O ATOM 449 CG2 THR A 29 0.381 8.057 -7.349 1.00 0.00 C ATOM 0 H THR A 29 -3.140 6.609 -6.093 1.00 0.00 H new ATOM 0 HA THR A 29 -1.331 8.690 -5.240 1.00 0.00 H new ATOM 0 HB THR A 29 -1.356 6.866 -7.671 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.067 5.568 -5.879 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.053 7.358 -7.847 1.00 0.00 H new ATOM 0 HG22 THR A 29 0.058 8.818 -8.059 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.904 8.534 -6.520 1.00 0.00 H new ATOM 457 N GLU A 30 -3.495 9.271 -7.579 1.00 0.00 N ATOM 458 CA GLU A 30 -4.042 10.327 -8.435 1.00 0.00 C ATOM 459 C GLU A 30 -4.291 11.598 -7.633 1.00 0.00 C ATOM 460 O GLU A 30 -4.078 12.709 -8.130 1.00 0.00 O ATOM 461 CB GLU A 30 -5.327 9.869 -9.140 1.00 0.00 C ATOM 462 CG GLU A 30 -5.069 9.024 -10.382 1.00 0.00 C ATOM 463 CD GLU A 30 -4.280 9.784 -11.441 1.00 0.00 C ATOM 464 OE1 GLU A 30 -3.030 9.737 -11.414 1.00 0.00 O ATOM 465 OE2 GLU A 30 -4.904 10.444 -12.297 1.00 0.00 O ATOM 0 H GLU A 30 -4.114 8.471 -7.446 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.301 10.545 -9.205 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.932 9.295 -8.439 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.910 10.746 -9.421 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.522 8.124 -10.100 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.021 8.700 -10.803 1.00 0.00 H new ATOM 472 N PHE A 31 -4.753 11.436 -6.400 1.00 0.00 N ATOM 473 CA PHE A 31 -4.842 12.560 -5.475 1.00 0.00 C ATOM 474 C PHE A 31 -3.442 12.947 -5.021 1.00 0.00 C ATOM 475 O PHE A 31 -3.026 14.105 -5.135 1.00 0.00 O ATOM 476 CB PHE A 31 -5.698 12.206 -4.250 1.00 0.00 C ATOM 477 CG PHE A 31 -7.167 12.049 -4.547 1.00 0.00 C ATOM 478 CD1 PHE A 31 -7.942 13.159 -4.853 1.00 0.00 C ATOM 479 CD2 PHE A 31 -7.772 10.803 -4.508 1.00 0.00 C ATOM 480 CE1 PHE A 31 -9.291 13.027 -5.116 1.00 0.00 C ATOM 481 CE2 PHE A 31 -9.120 10.667 -4.771 1.00 0.00 C ATOM 482 CZ PHE A 31 -9.880 11.781 -5.074 1.00 0.00 C ATOM 0 H PHE A 31 -5.070 10.545 -6.019 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.316 13.395 -5.991 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -5.325 11.278 -3.816 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -5.572 12.983 -3.496 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.485 14.137 -4.886 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -7.183 9.930 -4.269 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -9.884 13.898 -5.354 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -9.581 9.691 -4.740 1.00 0.00 H new ATOM 0 HZ PHE A 31 -10.935 11.675 -5.278 1.00 0.00 H new ATOM 492 N LEU A 32 -2.713 11.948 -4.538 1.00 0.00 N ATOM 493 CA LEU A 32 -1.384 12.150 -3.982 1.00 0.00 C ATOM 494 C LEU A 32 -0.353 12.317 -5.105 1.00 0.00 C ATOM 495 O LEU A 32 0.372 11.384 -5.446 1.00 0.00 O ATOM 496 CB LEU A 32 -1.021 10.963 -3.070 1.00 0.00 C ATOM 497 CG LEU A 32 0.005 11.260 -1.965 1.00 0.00 C ATOM 498 CD1 LEU A 32 -0.541 12.299 -0.989 1.00 0.00 C ATOM 499 CD2 LEU A 32 0.388 9.979 -1.228 1.00 0.00 C ATOM 0 H LEU A 32 -3.027 10.978 -4.521 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.378 13.063 -3.386 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.934 10.595 -2.603 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.634 10.156 -3.692 1.00 0.00 H new ATOM 0 HG LEU A 32 0.902 11.667 -2.432 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.200 12.495 -0.214 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.759 13.223 -1.525 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.455 11.922 -0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.115 10.211 -0.450 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.501 9.540 -0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.824 9.270 -1.932 1.00 0.00 H new ATOM 511 N LYS A 33 -0.335 13.513 -5.691 1.00 0.00 N ATOM 512 CA LYS A 33 0.610 13.881 -6.754 1.00 0.00 C ATOM 513 C LYS A 33 0.398 15.338 -7.163 1.00 0.00 C ATOM 514 O LYS A 33 1.354 16.061 -7.454 1.00 0.00 O ATOM 515 CB LYS A 33 0.478 12.979 -8.002 1.00 0.00 C ATOM 516 CG LYS A 33 -0.921 12.955 -8.627 1.00 0.00 C ATOM 517 CD LYS A 33 -0.892 12.584 -10.115 1.00 0.00 C ATOM 518 CE LYS A 33 -0.094 11.313 -10.401 1.00 0.00 C ATOM 519 NZ LYS A 33 -0.722 10.098 -9.819 1.00 0.00 N ATOM 0 H LYS A 33 -0.980 14.263 -5.442 1.00 0.00 H new ATOM 0 HA LYS A 33 1.612 13.743 -6.348 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.192 13.315 -8.754 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.757 11.961 -7.730 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.544 12.240 -8.089 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.385 13.934 -8.509 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.914 12.452 -10.470 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.462 13.411 -10.681 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.004 11.185 -11.479 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.914 11.424 -10.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.063 9.297 -9.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.947 10.269 -8.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.596 9.877 -10.338 1.00 0.00 H new ATOM 533 N LYS A 34 -0.865 15.767 -7.164 1.00 0.00 N ATOM 534 CA LYS A 34 -1.233 17.113 -7.611 1.00 0.00 C ATOM 535 C LYS A 34 -0.763 18.172 -6.614 1.00 0.00 C ATOM 536 O LYS A 34 -0.494 19.317 -6.985 1.00 0.00 O ATOM 537 CB LYS A 34 -2.752 17.205 -7.814 1.00 0.00 C ATOM 538 CG LYS A 34 -3.278 16.270 -8.900 1.00 0.00 C ATOM 539 CD LYS A 34 -4.783 16.421 -9.104 1.00 0.00 C ATOM 540 CE LYS A 34 -5.287 15.568 -10.264 1.00 0.00 C ATOM 541 NZ LYS A 34 -5.119 14.113 -10.011 1.00 0.00 N ATOM 0 H LYS A 34 -1.655 15.199 -6.859 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.736 17.304 -8.562 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.251 16.974 -6.873 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.015 18.231 -8.070 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.762 16.477 -9.838 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.050 15.238 -8.632 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.304 16.136 -8.190 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.021 17.468 -9.293 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.341 15.784 -10.440 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.750 15.841 -11.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.466 13.711 -10.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.731 13.969 -9.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.042 13.639 -10.085 1.00 0.00 H new ATOM 555 N GLU A 35 -0.679 17.780 -5.351 1.00 0.00 N ATOM 556 CA GLU A 35 -0.165 18.646 -4.286 1.00 0.00 C ATOM 557 C GLU A 35 1.282 18.266 -3.951 1.00 0.00 C ATOM 558 O GLU A 35 1.992 18.997 -3.254 1.00 0.00 O ATOM 559 CB GLU A 35 -1.072 18.556 -3.041 1.00 0.00 C ATOM 560 CG GLU A 35 -1.757 17.198 -2.851 1.00 0.00 C ATOM 561 CD GLU A 35 -0.779 16.039 -2.734 1.00 0.00 C ATOM 562 OE1 GLU A 35 -0.361 15.725 -1.605 1.00 0.00 O ATOM 563 OE2 GLU A 35 -0.418 15.450 -3.775 1.00 0.00 O ATOM 0 H GLU A 35 -0.964 16.855 -5.030 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.171 19.680 -4.630 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.475 18.775 -2.156 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.838 19.329 -3.108 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.375 17.234 -1.954 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.426 17.016 -3.692 1.00 0.00 H new ATOM 570 N PHE A 36 1.685 17.105 -4.461 1.00 0.00 N ATOM 571 CA PHE A 36 3.046 16.592 -4.343 1.00 0.00 C ATOM 572 C PHE A 36 3.384 16.206 -2.899 1.00 0.00 C ATOM 573 O PHE A 36 4.219 16.832 -2.244 1.00 0.00 O ATOM 574 CB PHE A 36 4.075 17.589 -4.911 1.00 0.00 C ATOM 575 CG PHE A 36 5.476 17.028 -5.003 1.00 0.00 C ATOM 576 CD1 PHE A 36 5.789 16.064 -5.954 1.00 0.00 C ATOM 577 CD2 PHE A 36 6.477 17.459 -4.141 1.00 0.00 C ATOM 578 CE1 PHE A 36 7.067 15.544 -6.041 1.00 0.00 C ATOM 579 CE2 PHE A 36 7.755 16.941 -4.227 1.00 0.00 C ATOM 580 CZ PHE A 36 8.050 15.983 -5.177 1.00 0.00 C ATOM 0 H PHE A 36 1.063 16.483 -4.977 1.00 0.00 H new ATOM 0 HA PHE A 36 3.100 15.683 -4.943 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.753 17.904 -5.904 1.00 0.00 H new ATOM 0 HB3 PHE A 36 4.090 18.480 -4.283 1.00 0.00 H new ATOM 0 HD1 PHE A 36 5.025 15.717 -6.633 1.00 0.00 H new ATOM 0 HD2 PHE A 36 6.253 18.207 -3.395 1.00 0.00 H new ATOM 0 HE1 PHE A 36 7.296 14.795 -6.784 1.00 0.00 H new ATOM 0 HE2 PHE A 36 8.524 17.285 -3.551 1.00 0.00 H new ATOM 0 HZ PHE A 36 9.049 15.578 -5.244 1.00 0.00 H new ATOM 590 N SER A 37 2.693 15.192 -2.396 1.00 0.00 N ATOM 591 CA SER A 37 3.083 14.525 -1.156 1.00 0.00 C ATOM 592 C SER A 37 3.154 13.024 -1.411 1.00 0.00 C ATOM 593 O SER A 37 3.086 12.215 -0.491 1.00 0.00 O ATOM 594 CB SER A 37 2.095 14.843 -0.022 1.00 0.00 C ATOM 595 OG SER A 37 2.524 14.291 1.217 1.00 0.00 O ATOM 0 H SER A 37 1.853 14.809 -2.830 1.00 0.00 H new ATOM 0 HA SER A 37 4.061 14.889 -0.841 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.990 15.923 0.077 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.111 14.449 -0.275 1.00 0.00 H new ATOM 0 HG SER A 37 2.881 13.391 1.068 1.00 0.00 H new ATOM 601 N ALA A 38 3.313 12.668 -2.686 1.00 0.00 N ATOM 602 CA ALA A 38 3.396 11.271 -3.108 1.00 0.00 C ATOM 603 C ALA A 38 4.687 10.615 -2.628 1.00 0.00 C ATOM 604 O ALA A 38 4.851 9.402 -2.750 1.00 0.00 O ATOM 605 CB ALA A 38 3.294 11.176 -4.626 1.00 0.00 C ATOM 0 H ALA A 38 3.388 13.337 -3.452 1.00 0.00 H new ATOM 0 HA ALA A 38 2.562 10.736 -2.655 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.357 10.131 -4.930 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.341 11.593 -4.953 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.111 11.736 -5.081 1.00 0.00 H new ATOM 611 N GLU A 39 5.589 11.424 -2.074 1.00 0.00 N ATOM 612 CA GLU A 39 6.909 10.957 -1.659 1.00 0.00 C ATOM 613 C GLU A 39 6.836 9.695 -0.799 1.00 0.00 C ATOM 614 O GLU A 39 7.648 8.786 -0.958 1.00 0.00 O ATOM 615 CB GLU A 39 7.681 12.084 -0.946 1.00 0.00 C ATOM 616 CG GLU A 39 6.842 12.992 -0.043 1.00 0.00 C ATOM 617 CD GLU A 39 6.401 12.330 1.251 1.00 0.00 C ATOM 618 OE1 GLU A 39 7.259 12.096 2.124 1.00 0.00 O ATOM 619 OE2 GLU A 39 5.193 12.063 1.407 1.00 0.00 O ATOM 0 H GLU A 39 5.426 12.416 -1.901 1.00 0.00 H new ATOM 0 HA GLU A 39 7.457 10.682 -2.560 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.472 11.635 -0.345 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.167 12.702 -1.701 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.419 13.886 0.195 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.959 13.320 -0.592 1.00 0.00 H new ATOM 626 N ASN A 40 5.848 9.631 0.082 1.00 0.00 N ATOM 627 CA ASN A 40 5.680 8.470 0.958 1.00 0.00 C ATOM 628 C ASN A 40 5.326 7.209 0.151 1.00 0.00 C ATOM 629 O ASN A 40 6.064 6.222 0.189 1.00 0.00 O ATOM 630 CB ASN A 40 4.635 8.744 2.061 1.00 0.00 C ATOM 631 CG ASN A 40 3.238 9.030 1.531 1.00 0.00 C ATOM 632 OD1 ASN A 40 2.423 8.128 1.374 1.00 0.00 O ATOM 633 ND2 ASN A 40 2.951 10.290 1.257 1.00 0.00 N ATOM 0 H ASN A 40 5.151 10.364 0.212 1.00 0.00 H new ATOM 0 HA ASN A 40 6.635 8.288 1.451 1.00 0.00 H new ATOM 0 HB2 ASN A 40 4.591 7.883 2.727 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.967 9.593 2.659 1.00 0.00 H new ATOM 0 HD21 ASN A 40 2.027 10.537 0.903 1.00 0.00 H new ATOM 0 HD22 ASN A 40 3.653 11.016 1.400 1.00 0.00 H new ATOM 640 N VAL A 41 4.227 7.248 -0.609 1.00 0.00 N ATOM 641 CA VAL A 41 3.778 6.076 -1.362 1.00 0.00 C ATOM 642 C VAL A 41 4.807 5.654 -2.408 1.00 0.00 C ATOM 643 O VAL A 41 5.032 4.462 -2.610 1.00 0.00 O ATOM 644 CB VAL A 41 2.406 6.298 -2.058 1.00 0.00 C ATOM 645 CG1 VAL A 41 1.308 6.531 -1.027 1.00 0.00 C ATOM 646 CG2 VAL A 41 2.467 7.454 -3.056 1.00 0.00 C ATOM 0 H VAL A 41 3.637 8.073 -0.718 1.00 0.00 H new ATOM 0 HA VAL A 41 3.661 5.281 -0.625 1.00 0.00 H new ATOM 0 HB VAL A 41 2.167 5.392 -2.615 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.357 6.684 -1.537 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.233 5.663 -0.372 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.548 7.413 -0.433 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.491 7.582 -3.525 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.742 8.371 -2.535 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.211 7.235 -3.822 1.00 0.00 H new ATOM 656 N THR A 42 5.444 6.625 -3.060 1.00 0.00 N ATOM 657 CA THR A 42 6.415 6.320 -4.104 1.00 0.00 C ATOM 658 C THR A 42 7.741 5.859 -3.489 1.00 0.00 C ATOM 659 O THR A 42 8.531 5.185 -4.151 1.00 0.00 O ATOM 660 CB THR A 42 6.644 7.516 -5.065 1.00 0.00 C ATOM 661 OG1 THR A 42 7.436 7.104 -6.189 1.00 0.00 O ATOM 662 CG2 THR A 42 7.334 8.678 -4.363 1.00 0.00 C ATOM 0 H THR A 42 5.306 7.620 -2.885 1.00 0.00 H new ATOM 0 HA THR A 42 6.000 5.507 -4.700 1.00 0.00 H new ATOM 0 HB THR A 42 5.665 7.853 -5.405 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.573 7.866 -6.790 1.00 0.00 H new ATOM 0 HG21 THR A 42 7.477 9.496 -5.069 1.00 0.00 H new ATOM 0 HG22 THR A 42 6.717 9.019 -3.532 1.00 0.00 H new ATOM 0 HG23 THR A 42 8.303 8.351 -3.985 1.00 0.00 H new ATOM 670 N PHE A 43 7.982 6.218 -2.224 1.00 0.00 N ATOM 671 CA PHE A 43 9.128 5.685 -1.485 1.00 0.00 C ATOM 672 C PHE A 43 8.868 4.228 -1.136 1.00 0.00 C ATOM 673 O PHE A 43 9.744 3.375 -1.284 1.00 0.00 O ATOM 674 CB PHE A 43 9.397 6.492 -0.207 1.00 0.00 C ATOM 675 CG PHE A 43 10.508 5.922 0.647 1.00 0.00 C ATOM 676 CD1 PHE A 43 11.836 6.062 0.267 1.00 0.00 C ATOM 677 CD2 PHE A 43 10.223 5.248 1.828 1.00 0.00 C ATOM 678 CE1 PHE A 43 12.852 5.542 1.045 1.00 0.00 C ATOM 679 CE2 PHE A 43 11.239 4.727 2.608 1.00 0.00 C ATOM 680 CZ PHE A 43 12.554 4.875 2.216 1.00 0.00 C ATOM 0 H PHE A 43 7.403 6.870 -1.695 1.00 0.00 H new ATOM 0 HA PHE A 43 10.012 5.763 -2.118 1.00 0.00 H new ATOM 0 HB2 PHE A 43 9.650 7.516 -0.481 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.482 6.536 0.384 1.00 0.00 H new ATOM 0 HD1 PHE A 43 12.077 6.583 -0.647 1.00 0.00 H new ATOM 0 HD2 PHE A 43 9.196 5.130 2.140 1.00 0.00 H new ATOM 0 HE1 PHE A 43 13.881 5.657 0.737 1.00 0.00 H new ATOM 0 HE2 PHE A 43 11.004 4.205 3.523 1.00 0.00 H new ATOM 0 HZ PHE A 43 13.349 4.469 2.825 1.00 0.00 H new ATOM 690 N TRP A 44 7.651 3.953 -0.677 1.00 0.00 N ATOM 691 CA TRP A 44 7.225 2.587 -0.394 1.00 0.00 C ATOM 692 C TRP A 44 7.295 1.764 -1.683 1.00 0.00 C ATOM 693 O TRP A 44 7.747 0.620 -1.682 1.00 0.00 O ATOM 694 CB TRP A 44 5.801 2.585 0.187 1.00 0.00 C ATOM 695 CG TRP A 44 5.348 1.241 0.680 1.00 0.00 C ATOM 696 CD1 TRP A 44 5.522 0.724 1.932 1.00 0.00 C ATOM 697 CD2 TRP A 44 4.643 0.246 -0.070 1.00 0.00 C ATOM 698 NE1 TRP A 44 4.979 -0.536 2.005 1.00 0.00 N ATOM 699 CE2 TRP A 44 4.431 -0.852 0.786 1.00 0.00 C ATOM 700 CE3 TRP A 44 4.175 0.178 -1.386 1.00 0.00 C ATOM 701 CZ2 TRP A 44 3.768 -2.004 0.368 1.00 0.00 C ATOM 702 CZ3 TRP A 44 3.516 -0.965 -1.800 1.00 0.00 C ATOM 703 CH2 TRP A 44 3.319 -2.044 -0.925 1.00 0.00 C ATOM 0 H TRP A 44 6.940 4.661 -0.493 1.00 0.00 H new ATOM 0 HA TRP A 44 7.887 2.139 0.347 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.754 3.298 1.010 1.00 0.00 H new ATOM 0 HB3 TRP A 44 5.107 2.934 -0.577 1.00 0.00 H new ATOM 0 HD1 TRP A 44 6.015 1.232 2.747 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.982 -1.138 2.829 1.00 0.00 H new ATOM 0 HE3 TRP A 44 4.325 1.003 -2.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 3.614 -2.836 1.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 3.147 -1.028 -2.813 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.803 -2.924 -1.279 1.00 0.00 H new ATOM 714 N LYS A 45 6.860 2.381 -2.783 1.00 0.00 N ATOM 715 CA LYS A 45 6.957 1.783 -4.114 1.00 0.00 C ATOM 716 C LYS A 45 8.413 1.551 -4.498 1.00 0.00 C ATOM 717 O LYS A 45 8.739 0.556 -5.141 1.00 0.00 O ATOM 718 CB LYS A 45 6.298 2.690 -5.165 1.00 0.00 C ATOM 719 CG LYS A 45 4.776 2.651 -5.167 1.00 0.00 C ATOM 720 CD LYS A 45 4.195 3.673 -6.141 1.00 0.00 C ATOM 721 CE LYS A 45 2.739 3.377 -6.468 1.00 0.00 C ATOM 722 NZ LYS A 45 2.594 2.097 -7.211 1.00 0.00 N ATOM 0 H LYS A 45 6.432 3.307 -2.776 1.00 0.00 H new ATOM 0 HA LYS A 45 6.436 0.826 -4.085 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.622 3.717 -4.995 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.658 2.401 -6.153 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.436 1.652 -5.440 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.404 2.851 -4.162 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.275 4.671 -5.711 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.781 3.674 -7.060 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.161 3.330 -5.545 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.326 4.192 -7.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.640 2.040 -7.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.302 2.055 -7.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.739 1.299 -6.560 1.00 0.00 H new ATOM 736 N ALA A 46 9.276 2.485 -4.113 1.00 0.00 N ATOM 737 CA ALA A 46 10.700 2.399 -4.419 1.00 0.00 C ATOM 738 C ALA A 46 11.346 1.240 -3.664 1.00 0.00 C ATOM 739 O ALA A 46 12.143 0.488 -4.224 1.00 0.00 O ATOM 740 CB ALA A 46 11.394 3.715 -4.082 1.00 0.00 C ATOM 0 H ALA A 46 9.012 3.316 -3.584 1.00 0.00 H new ATOM 0 HA ALA A 46 10.813 2.212 -5.487 1.00 0.00 H new ATOM 0 HB1 ALA A 46 12.456 3.637 -4.315 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.952 4.520 -4.669 1.00 0.00 H new ATOM 0 HB3 ALA A 46 11.271 3.930 -3.021 1.00 0.00 H new ATOM 746 N CYS A 47 10.987 1.096 -2.394 1.00 0.00 N ATOM 747 CA CYS A 47 11.501 0.009 -1.570 1.00 0.00 C ATOM 748 C CYS A 47 10.926 -1.328 -2.043 1.00 0.00 C ATOM 749 O CYS A 47 11.616 -2.349 -2.049 1.00 0.00 O ATOM 750 CB CYS A 47 11.161 0.261 -0.100 1.00 0.00 C ATOM 751 SG CYS A 47 11.775 1.840 0.536 1.00 0.00 S ATOM 0 H CYS A 47 10.340 1.720 -1.912 1.00 0.00 H new ATOM 0 HA CYS A 47 12.586 -0.033 -1.669 1.00 0.00 H new ATOM 0 HB2 CYS A 47 10.078 0.228 0.023 1.00 0.00 H new ATOM 0 HB3 CYS A 47 11.575 -0.548 0.502 1.00 0.00 H new ATOM 0 HG CYS A 47 11.142 2.817 -0.043 1.00 0.00 H new ATOM 757 N GLU A 48 9.659 -1.300 -2.460 1.00 0.00 N ATOM 758 CA GLU A 48 9.007 -2.461 -3.060 1.00 0.00 C ATOM 759 C GLU A 48 9.702 -2.816 -4.377 1.00 0.00 C ATOM 760 O GLU A 48 9.928 -3.987 -4.685 1.00 0.00 O ATOM 761 CB GLU A 48 7.508 -2.162 -3.262 1.00 0.00 C ATOM 762 CG GLU A 48 6.730 -3.218 -4.053 1.00 0.00 C ATOM 763 CD GLU A 48 6.463 -2.798 -5.493 1.00 0.00 C ATOM 764 OE1 GLU A 48 5.443 -2.118 -5.741 1.00 0.00 O ATOM 765 OE2 GLU A 48 7.274 -3.131 -6.383 1.00 0.00 O ATOM 0 H GLU A 48 9.061 -0.477 -2.391 1.00 0.00 H new ATOM 0 HA GLU A 48 9.089 -3.324 -2.399 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.042 -2.049 -2.283 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.411 -1.204 -3.774 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.290 -4.153 -4.050 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.781 -3.413 -3.554 1.00 0.00 H new ATOM 772 N ARG A 49 10.073 -1.778 -5.121 1.00 0.00 N ATOM 773 CA ARG A 49 10.825 -1.920 -6.367 1.00 0.00 C ATOM 774 C ARG A 49 12.195 -2.529 -6.078 1.00 0.00 C ATOM 775 O ARG A 49 12.735 -3.302 -6.873 1.00 0.00 O ATOM 776 CB ARG A 49 10.993 -0.538 -7.021 1.00 0.00 C ATOM 777 CG ARG A 49 11.792 -0.536 -8.320 1.00 0.00 C ATOM 778 CD ARG A 49 11.010 -1.124 -9.487 1.00 0.00 C ATOM 779 NE ARG A 49 11.784 -1.071 -10.730 1.00 0.00 N ATOM 780 CZ ARG A 49 11.934 0.026 -11.480 1.00 0.00 C ATOM 781 NH1 ARG A 49 11.343 1.166 -11.131 1.00 0.00 N ATOM 782 NH2 ARG A 49 12.678 -0.019 -12.576 1.00 0.00 N ATOM 0 H ARG A 49 9.860 -0.811 -4.877 1.00 0.00 H new ATOM 0 HA ARG A 49 10.283 -2.578 -7.046 1.00 0.00 H new ATOM 0 HB2 ARG A 49 10.005 -0.123 -7.219 1.00 0.00 H new ATOM 0 HB3 ARG A 49 11.482 0.128 -6.310 1.00 0.00 H new ATOM 0 HG2 ARG A 49 12.085 0.486 -8.561 1.00 0.00 H new ATOM 0 HG3 ARG A 49 12.711 -1.106 -8.179 1.00 0.00 H new ATOM 0 HD2 ARG A 49 10.745 -2.158 -9.265 1.00 0.00 H new ATOM 0 HD3 ARG A 49 10.076 -0.576 -9.614 1.00 0.00 H new ATOM 0 HE ARG A 49 12.239 -1.928 -11.044 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.772 1.207 -10.287 1.00 0.00 H new ATOM 0 HH12 ARG A 49 11.461 1.999 -11.707 1.00 0.00 H new ATOM 0 HH21 ARG A 49 13.135 -0.890 -12.847 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.793 0.817 -13.149 1.00 0.00 H new ATOM 796 N PHE A 50 12.738 -2.172 -4.922 1.00 0.00 N ATOM 797 CA PHE A 50 14.061 -2.615 -4.507 1.00 0.00 C ATOM 798 C PHE A 50 14.029 -4.093 -4.112 1.00 0.00 C ATOM 799 O PHE A 50 14.886 -4.874 -4.528 1.00 0.00 O ATOM 800 CB PHE A 50 14.546 -1.745 -3.338 1.00 0.00 C ATOM 801 CG PHE A 50 16.027 -1.829 -3.071 1.00 0.00 C ATOM 802 CD1 PHE A 50 16.932 -1.288 -3.971 1.00 0.00 C ATOM 803 CD2 PHE A 50 16.516 -2.434 -1.922 1.00 0.00 C ATOM 804 CE1 PHE A 50 18.290 -1.351 -3.733 1.00 0.00 C ATOM 805 CE2 PHE A 50 17.875 -2.496 -1.681 1.00 0.00 C ATOM 806 CZ PHE A 50 18.763 -1.954 -2.588 1.00 0.00 C ATOM 0 H PHE A 50 12.273 -1.567 -4.245 1.00 0.00 H new ATOM 0 HA PHE A 50 14.757 -2.507 -5.339 1.00 0.00 H new ATOM 0 HB2 PHE A 50 14.284 -0.707 -3.541 1.00 0.00 H new ATOM 0 HB3 PHE A 50 14.009 -2.038 -2.436 1.00 0.00 H new ATOM 0 HD1 PHE A 50 16.570 -0.811 -4.870 1.00 0.00 H new ATOM 0 HD2 PHE A 50 15.827 -2.861 -1.208 1.00 0.00 H new ATOM 0 HE1 PHE A 50 18.983 -0.927 -4.445 1.00 0.00 H new ATOM 0 HE2 PHE A 50 18.243 -2.969 -0.782 1.00 0.00 H new ATOM 0 HZ PHE A 50 19.826 -2.002 -2.401 1.00 0.00 H new ATOM 816 N GLN A 51 13.024 -4.478 -3.320 1.00 0.00 N ATOM 817 CA GLN A 51 12.882 -5.870 -2.882 1.00 0.00 C ATOM 818 C GLN A 51 12.392 -6.752 -4.031 1.00 0.00 C ATOM 819 O GLN A 51 12.447 -7.983 -3.948 1.00 0.00 O ATOM 820 CB GLN A 51 11.928 -5.985 -1.682 1.00 0.00 C ATOM 821 CG GLN A 51 10.496 -5.545 -1.972 1.00 0.00 C ATOM 822 CD GLN A 51 9.552 -5.815 -0.811 1.00 0.00 C ATOM 823 OE1 GLN A 51 9.382 -4.983 0.079 1.00 0.00 O ATOM 824 NE2 GLN A 51 8.925 -6.982 -0.811 1.00 0.00 N ATOM 0 H GLN A 51 12.300 -3.850 -2.971 1.00 0.00 H new ATOM 0 HA GLN A 51 13.866 -6.217 -2.568 1.00 0.00 H new ATOM 0 HB2 GLN A 51 11.915 -7.020 -1.341 1.00 0.00 H new ATOM 0 HB3 GLN A 51 12.321 -5.384 -0.862 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.487 -4.480 -2.202 1.00 0.00 H new ATOM 0 HG3 GLN A 51 10.133 -6.065 -2.858 1.00 0.00 H new ATOM 0 HE21 GLN A 51 9.089 -7.649 -1.565 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.278 -7.213 -0.057 1.00 0.00 H new ATOM 833 N GLN A 52 11.898 -6.113 -5.093 1.00 0.00 N ATOM 834 CA GLN A 52 11.486 -6.822 -6.302 1.00 0.00 C ATOM 835 C GLN A 52 12.716 -7.397 -7.001 1.00 0.00 C ATOM 836 O GLN A 52 12.656 -8.466 -7.617 1.00 0.00 O ATOM 837 CB GLN A 52 10.710 -5.874 -7.239 1.00 0.00 C ATOM 838 CG GLN A 52 10.086 -6.547 -8.472 1.00 0.00 C ATOM 839 CD GLN A 52 10.924 -6.424 -9.742 1.00 0.00 C ATOM 840 OE1 GLN A 52 12.154 -6.356 -9.699 1.00 0.00 O ATOM 841 NE2 GLN A 52 10.259 -6.391 -10.889 1.00 0.00 N ATOM 0 H GLN A 52 11.774 -5.102 -5.138 1.00 0.00 H new ATOM 0 HA GLN A 52 10.822 -7.644 -6.032 1.00 0.00 H new ATOM 0 HB2 GLN A 52 9.918 -5.391 -6.667 1.00 0.00 H new ATOM 0 HB3 GLN A 52 11.385 -5.087 -7.576 1.00 0.00 H new ATOM 0 HG2 GLN A 52 9.928 -7.603 -8.255 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.105 -6.109 -8.654 1.00 0.00 H new ATOM 0 HE21 GLN A 52 9.241 -6.449 -10.890 1.00 0.00 H new ATOM 0 HE22 GLN A 52 10.766 -6.307 -11.770 1.00 0.00 H new ATOM 850 N ILE A 53 13.836 -6.688 -6.875 1.00 0.00 N ATOM 851 CA ILE A 53 15.093 -7.099 -7.491 1.00 0.00 C ATOM 852 C ILE A 53 15.668 -8.319 -6.767 1.00 0.00 C ATOM 853 O ILE A 53 15.757 -8.326 -5.537 1.00 0.00 O ATOM 854 CB ILE A 53 16.143 -5.959 -7.447 1.00 0.00 C ATOM 855 CG1 ILE A 53 15.571 -4.665 -8.045 1.00 0.00 C ATOM 856 CG2 ILE A 53 17.422 -6.370 -8.181 1.00 0.00 C ATOM 857 CD1 ILE A 53 16.500 -3.474 -7.917 1.00 0.00 C ATOM 0 H ILE A 53 13.897 -5.818 -6.346 1.00 0.00 H new ATOM 0 HA ILE A 53 14.878 -7.347 -8.530 1.00 0.00 H new ATOM 0 HB ILE A 53 16.392 -5.771 -6.403 1.00 0.00 H new ATOM 0 HG12 ILE A 53 15.348 -4.830 -9.099 1.00 0.00 H new ATOM 0 HG13 ILE A 53 14.627 -4.433 -7.552 1.00 0.00 H new ATOM 0 HG21 ILE A 53 18.144 -5.555 -8.137 1.00 0.00 H new ATOM 0 HG22 ILE A 53 17.845 -7.256 -7.707 1.00 0.00 H new ATOM 0 HG23 ILE A 53 17.188 -6.592 -9.222 1.00 0.00 H new ATOM 0 HD11 ILE A 53 16.030 -2.596 -8.361 1.00 0.00 H new ATOM 0 HD12 ILE A 53 16.703 -3.283 -6.863 1.00 0.00 H new ATOM 0 HD13 ILE A 53 17.436 -3.685 -8.435 1.00 0.00 H new ATOM 869 N PRO A 54 16.047 -9.377 -7.510 1.00 0.00 N ATOM 870 CA PRO A 54 16.708 -10.550 -6.926 1.00 0.00 C ATOM 871 C PRO A 54 18.061 -10.179 -6.319 1.00 0.00 C ATOM 872 O PRO A 54 18.862 -9.491 -6.956 1.00 0.00 O ATOM 873 CB PRO A 54 16.890 -11.508 -8.121 1.00 0.00 C ATOM 874 CG PRO A 54 15.952 -11.008 -9.171 1.00 0.00 C ATOM 875 CD PRO A 54 15.858 -9.522 -8.964 1.00 0.00 C ATOM 0 HA PRO A 54 16.129 -10.991 -6.114 1.00 0.00 H new ATOM 0 HB2 PRO A 54 17.920 -11.501 -8.478 1.00 0.00 H new ATOM 0 HB3 PRO A 54 16.656 -12.535 -7.841 1.00 0.00 H new ATOM 0 HG2 PRO A 54 16.323 -11.241 -10.169 1.00 0.00 H new ATOM 0 HG3 PRO A 54 14.973 -11.478 -9.077 1.00 0.00 H new ATOM 0 HD2 PRO A 54 16.624 -8.987 -9.526 1.00 0.00 H new ATOM 0 HD3 PRO A 54 14.894 -9.130 -9.287 1.00 0.00 H new ATOM 883 N ALA A 55 18.316 -10.646 -5.098 1.00 0.00 N ATOM 884 CA ALA A 55 19.570 -10.357 -4.398 1.00 0.00 C ATOM 885 C ALA A 55 20.778 -10.775 -5.237 1.00 0.00 C ATOM 886 O ALA A 55 21.889 -10.266 -5.055 1.00 0.00 O ATOM 887 CB ALA A 55 19.591 -11.068 -3.051 1.00 0.00 C ATOM 0 H ALA A 55 17.668 -11.230 -4.569 1.00 0.00 H new ATOM 0 HA ALA A 55 19.630 -9.281 -4.235 1.00 0.00 H new ATOM 0 HB1 ALA A 55 20.527 -10.847 -2.538 1.00 0.00 H new ATOM 0 HB2 ALA A 55 18.754 -10.722 -2.444 1.00 0.00 H new ATOM 0 HB3 ALA A 55 19.507 -12.144 -3.206 1.00 0.00 H new ATOM 893 N SER A 56 20.543 -11.711 -6.150 1.00 0.00 N ATOM 894 CA SER A 56 21.575 -12.214 -7.042 1.00 0.00 C ATOM 895 C SER A 56 22.156 -11.088 -7.899 1.00 0.00 C ATOM 896 O SER A 56 23.376 -10.985 -8.059 1.00 0.00 O ATOM 897 CB SER A 56 20.983 -13.314 -7.928 1.00 0.00 C ATOM 898 OG SER A 56 20.298 -14.272 -7.138 1.00 0.00 O ATOM 0 H SER A 56 19.629 -12.141 -6.291 1.00 0.00 H new ATOM 0 HA SER A 56 22.389 -12.627 -6.446 1.00 0.00 H new ATOM 0 HB2 SER A 56 20.298 -12.876 -8.654 1.00 0.00 H new ATOM 0 HB3 SER A 56 21.778 -13.801 -8.493 1.00 0.00 H new ATOM 0 HG SER A 56 19.924 -14.967 -7.718 1.00 0.00 H new ATOM 904 N ASP A 57 21.286 -10.230 -8.432 1.00 0.00 N ATOM 905 CA ASP A 57 21.727 -9.133 -9.290 1.00 0.00 C ATOM 906 C ASP A 57 22.009 -7.899 -8.439 1.00 0.00 C ATOM 907 O ASP A 57 21.206 -6.963 -8.373 1.00 0.00 O ATOM 908 CB ASP A 57 20.686 -8.818 -10.374 1.00 0.00 C ATOM 909 CG ASP A 57 21.286 -8.061 -11.555 1.00 0.00 C ATOM 910 OD1 ASP A 57 21.591 -6.859 -11.418 1.00 0.00 O ATOM 911 OD2 ASP A 57 21.466 -8.677 -12.630 1.00 0.00 O ATOM 0 H ASP A 57 20.278 -10.274 -8.285 1.00 0.00 H new ATOM 0 HA ASP A 57 22.643 -9.436 -9.796 1.00 0.00 H new ATOM 0 HB2 ASP A 57 20.243 -9.748 -10.730 1.00 0.00 H new ATOM 0 HB3 ASP A 57 19.880 -8.227 -9.939 1.00 0.00 H new ATOM 916 N THR A 58 23.150 -7.927 -7.762 1.00 0.00 N ATOM 917 CA THR A 58 23.554 -6.847 -6.872 1.00 0.00 C ATOM 918 C THR A 58 23.784 -5.550 -7.654 1.00 0.00 C ATOM 919 O THR A 58 23.696 -4.452 -7.101 1.00 0.00 O ATOM 920 CB THR A 58 24.838 -7.237 -6.104 1.00 0.00 C ATOM 921 OG1 THR A 58 24.690 -8.562 -5.567 1.00 0.00 O ATOM 922 CG2 THR A 58 25.131 -6.257 -4.968 1.00 0.00 C ATOM 0 H THR A 58 23.819 -8.696 -7.814 1.00 0.00 H new ATOM 0 HA THR A 58 22.749 -6.679 -6.157 1.00 0.00 H new ATOM 0 HB THR A 58 25.674 -7.205 -6.803 1.00 0.00 H new ATOM 0 HG1 THR A 58 25.504 -8.811 -5.081 1.00 0.00 H new ATOM 0 HG21 THR A 58 26.040 -6.562 -4.450 1.00 0.00 H new ATOM 0 HG22 THR A 58 25.265 -5.255 -5.377 1.00 0.00 H new ATOM 0 HG23 THR A 58 24.297 -6.254 -4.266 1.00 0.00 H new ATOM 930 N GLN A 59 24.055 -5.691 -8.951 1.00 0.00 N ATOM 931 CA GLN A 59 24.305 -4.545 -9.817 1.00 0.00 C ATOM 932 C GLN A 59 23.042 -3.693 -9.950 1.00 0.00 C ATOM 933 O GLN A 59 23.099 -2.465 -9.852 1.00 0.00 O ATOM 934 CB GLN A 59 24.789 -5.017 -11.197 1.00 0.00 C ATOM 935 CG GLN A 59 25.161 -3.881 -12.146 1.00 0.00 C ATOM 936 CD GLN A 59 25.822 -4.373 -13.423 1.00 0.00 C ATOM 937 OE1 GLN A 59 26.505 -5.401 -13.432 1.00 0.00 O ATOM 938 NE2 GLN A 59 25.636 -3.639 -14.508 1.00 0.00 N ATOM 0 H GLN A 59 24.107 -6.593 -9.425 1.00 0.00 H new ATOM 0 HA GLN A 59 25.086 -3.931 -9.369 1.00 0.00 H new ATOM 0 HB2 GLN A 59 25.656 -5.665 -11.065 1.00 0.00 H new ATOM 0 HB3 GLN A 59 24.007 -5.621 -11.658 1.00 0.00 H new ATOM 0 HG2 GLN A 59 24.263 -3.318 -12.401 1.00 0.00 H new ATOM 0 HG3 GLN A 59 25.835 -3.193 -11.635 1.00 0.00 H new ATOM 0 HE21 GLN A 59 25.065 -2.795 -14.461 1.00 0.00 H new ATOM 0 HE22 GLN A 59 26.064 -3.917 -15.391 1.00 0.00 H new ATOM 947 N GLN A 60 21.901 -4.351 -10.152 1.00 0.00 N ATOM 948 CA GLN A 60 20.624 -3.648 -10.270 1.00 0.00 C ATOM 949 C GLN A 60 20.273 -3.000 -8.936 1.00 0.00 C ATOM 950 O GLN A 60 19.795 -1.864 -8.888 1.00 0.00 O ATOM 951 CB GLN A 60 19.504 -4.611 -10.703 1.00 0.00 C ATOM 952 CG GLN A 60 18.264 -3.910 -11.262 1.00 0.00 C ATOM 953 CD GLN A 60 18.499 -3.293 -12.636 1.00 0.00 C ATOM 954 OE1 GLN A 60 19.616 -2.903 -12.982 1.00 0.00 O ATOM 955 NE2 GLN A 60 17.444 -3.189 -13.427 1.00 0.00 N ATOM 0 H GLN A 60 21.834 -5.365 -10.237 1.00 0.00 H new ATOM 0 HA GLN A 60 20.720 -2.877 -11.034 1.00 0.00 H new ATOM 0 HB2 GLN A 60 19.896 -5.292 -11.459 1.00 0.00 H new ATOM 0 HB3 GLN A 60 19.211 -5.219 -9.847 1.00 0.00 H new ATOM 0 HG2 GLN A 60 17.446 -4.627 -11.327 1.00 0.00 H new ATOM 0 HG3 GLN A 60 17.950 -3.130 -10.568 1.00 0.00 H new ATOM 0 HE21 GLN A 60 16.534 -3.522 -13.109 1.00 0.00 H new ATOM 0 HE22 GLN A 60 17.541 -2.776 -14.355 1.00 0.00 H new ATOM 964 N LEU A 61 20.529 -3.736 -7.855 1.00 0.00 N ATOM 965 CA LEU A 61 20.331 -3.225 -6.501 1.00 0.00 C ATOM 966 C LEU A 61 21.120 -1.933 -6.297 1.00 0.00 C ATOM 967 O LEU A 61 20.609 -0.961 -5.742 1.00 0.00 O ATOM 968 CB LEU A 61 20.766 -4.275 -5.468 1.00 0.00 C ATOM 969 CG LEU A 61 19.878 -5.528 -5.379 1.00 0.00 C ATOM 970 CD1 LEU A 61 20.526 -6.591 -4.493 1.00 0.00 C ATOM 971 CD2 LEU A 61 18.493 -5.165 -4.849 1.00 0.00 C ATOM 0 H LEU A 61 20.876 -4.694 -7.893 1.00 0.00 H new ATOM 0 HA LEU A 61 19.271 -3.012 -6.364 1.00 0.00 H new ATOM 0 HB2 LEU A 61 21.783 -4.589 -5.702 1.00 0.00 H new ATOM 0 HB3 LEU A 61 20.796 -3.802 -4.486 1.00 0.00 H new ATOM 0 HG LEU A 61 19.769 -5.940 -6.382 1.00 0.00 H new ATOM 0 HD11 LEU A 61 19.880 -7.468 -4.445 1.00 0.00 H new ATOM 0 HD12 LEU A 61 21.492 -6.874 -4.912 1.00 0.00 H new ATOM 0 HD13 LEU A 61 20.669 -6.190 -3.489 1.00 0.00 H new ATOM 0 HD21 LEU A 61 17.878 -6.063 -4.793 1.00 0.00 H new ATOM 0 HD22 LEU A 61 18.587 -4.727 -3.855 1.00 0.00 H new ATOM 0 HD23 LEU A 61 18.024 -4.446 -5.520 1.00 0.00 H new ATOM 983 N ALA A 62 22.368 -1.933 -6.759 1.00 0.00 N ATOM 984 CA ALA A 62 23.237 -0.764 -6.645 1.00 0.00 C ATOM 985 C ALA A 62 22.635 0.433 -7.375 1.00 0.00 C ATOM 986 O ALA A 62 22.657 1.563 -6.874 1.00 0.00 O ATOM 987 CB ALA A 62 24.623 -1.085 -7.197 1.00 0.00 C ATOM 0 H ALA A 62 22.802 -2.734 -7.218 1.00 0.00 H new ATOM 0 HA ALA A 62 23.330 -0.504 -5.590 1.00 0.00 H new ATOM 0 HB1 ALA A 62 25.263 -0.207 -7.107 1.00 0.00 H new ATOM 0 HB2 ALA A 62 25.058 -1.910 -6.632 1.00 0.00 H new ATOM 0 HB3 ALA A 62 24.540 -1.368 -8.246 1.00 0.00 H new ATOM 993 N GLN A 63 22.087 0.170 -8.558 1.00 0.00 N ATOM 994 CA GLN A 63 21.472 1.212 -9.374 1.00 0.00 C ATOM 995 C GLN A 63 20.248 1.792 -8.672 1.00 0.00 C ATOM 996 O GLN A 63 20.110 3.008 -8.544 1.00 0.00 O ATOM 997 CB GLN A 63 21.075 0.656 -10.751 1.00 0.00 C ATOM 998 CG GLN A 63 22.232 0.050 -11.549 1.00 0.00 C ATOM 999 CD GLN A 63 23.170 1.072 -12.191 1.00 0.00 C ATOM 1000 OE1 GLN A 63 23.743 0.812 -13.250 1.00 0.00 O ATOM 1001 NE2 GLN A 63 23.349 2.233 -11.575 1.00 0.00 N ATOM 0 H GLN A 63 22.056 -0.761 -8.974 1.00 0.00 H new ATOM 0 HA GLN A 63 22.203 2.008 -9.515 1.00 0.00 H new ATOM 0 HB2 GLN A 63 20.307 -0.105 -10.614 1.00 0.00 H new ATOM 0 HB3 GLN A 63 20.627 1.458 -11.337 1.00 0.00 H new ATOM 0 HG2 GLN A 63 22.814 -0.592 -10.888 1.00 0.00 H new ATOM 0 HG3 GLN A 63 21.821 -0.587 -12.332 1.00 0.00 H new ATOM 0 HE21 GLN A 63 22.864 2.426 -10.699 1.00 0.00 H new ATOM 0 HE22 GLN A 63 23.972 2.933 -11.977 1.00 0.00 H new ATOM 1010 N GLU A 64 19.370 0.914 -8.201 1.00 0.00 N ATOM 1011 CA GLU A 64 18.128 1.342 -7.575 1.00 0.00 C ATOM 1012 C GLU A 64 18.414 2.054 -6.250 1.00 0.00 C ATOM 1013 O GLU A 64 17.749 3.031 -5.902 1.00 0.00 O ATOM 1014 CB GLU A 64 17.201 0.139 -7.354 1.00 0.00 C ATOM 1015 CG GLU A 64 15.744 0.522 -7.114 1.00 0.00 C ATOM 1016 CD GLU A 64 15.138 1.256 -8.302 1.00 0.00 C ATOM 1017 OE1 GLU A 64 14.760 0.588 -9.290 1.00 0.00 O ATOM 1018 OE2 GLU A 64 15.045 2.503 -8.263 1.00 0.00 O ATOM 0 H GLU A 64 19.496 -0.097 -8.241 1.00 0.00 H new ATOM 0 HA GLU A 64 17.627 2.046 -8.240 1.00 0.00 H new ATOM 0 HB2 GLU A 64 17.257 -0.516 -8.224 1.00 0.00 H new ATOM 0 HB3 GLU A 64 17.562 -0.434 -6.500 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.163 -0.377 -6.910 1.00 0.00 H new ATOM 0 HG3 GLU A 64 15.677 1.152 -6.227 1.00 0.00 H new ATOM 1025 N ALA A 65 19.427 1.572 -5.531 1.00 0.00 N ATOM 1026 CA ALA A 65 19.802 2.145 -4.241 1.00 0.00 C ATOM 1027 C ALA A 65 20.150 3.623 -4.378 1.00 0.00 C ATOM 1028 O ALA A 65 19.668 4.456 -3.607 1.00 0.00 O ATOM 1029 CB ALA A 65 20.973 1.380 -3.631 1.00 0.00 C ATOM 0 H ALA A 65 20.004 0.783 -5.822 1.00 0.00 H new ATOM 0 HA ALA A 65 18.944 2.057 -3.575 1.00 0.00 H new ATOM 0 HB1 ALA A 65 21.236 1.823 -2.671 1.00 0.00 H new ATOM 0 HB2 ALA A 65 20.690 0.338 -3.484 1.00 0.00 H new ATOM 0 HB3 ALA A 65 21.831 1.432 -4.302 1.00 0.00 H new ATOM 1035 N ARG A 66 20.979 3.952 -5.373 1.00 0.00 N ATOM 1036 CA ARG A 66 21.401 5.337 -5.578 1.00 0.00 C ATOM 1037 C ARG A 66 20.231 6.197 -6.059 1.00 0.00 C ATOM 1038 O ARG A 66 20.178 7.396 -5.771 1.00 0.00 O ATOM 1039 CB ARG A 66 22.574 5.431 -6.569 1.00 0.00 C ATOM 1040 CG ARG A 66 22.233 4.994 -7.989 1.00 0.00 C ATOM 1041 CD ARG A 66 23.372 5.282 -8.961 1.00 0.00 C ATOM 1042 NE ARG A 66 23.707 6.709 -9.003 1.00 0.00 N ATOM 1043 CZ ARG A 66 23.377 7.533 -10.002 1.00 0.00 C ATOM 1044 NH1 ARG A 66 22.690 7.083 -11.047 1.00 0.00 N ATOM 1045 NH2 ARG A 66 23.730 8.810 -9.949 1.00 0.00 N ATOM 0 H ARG A 66 21.366 3.286 -6.041 1.00 0.00 H new ATOM 0 HA ARG A 66 21.743 5.718 -4.616 1.00 0.00 H new ATOM 0 HB2 ARG A 66 22.931 6.460 -6.594 1.00 0.00 H new ATOM 0 HB3 ARG A 66 23.396 4.817 -6.200 1.00 0.00 H new ATOM 0 HG2 ARG A 66 22.010 3.927 -7.997 1.00 0.00 H new ATOM 0 HG3 ARG A 66 21.333 5.510 -8.322 1.00 0.00 H new ATOM 0 HD2 ARG A 66 24.253 4.711 -8.668 1.00 0.00 H new ATOM 0 HD3 ARG A 66 23.092 4.945 -9.959 1.00 0.00 H new ATOM 0 HE ARG A 66 24.227 7.099 -8.217 1.00 0.00 H new ATOM 0 HH11 ARG A 66 22.411 6.103 -11.090 1.00 0.00 H new ATOM 0 HH12 ARG A 66 22.442 7.718 -11.806 1.00 0.00 H new ATOM 0 HH21 ARG A 66 24.252 9.162 -9.147 1.00 0.00 H new ATOM 0 HH22 ARG A 66 23.479 9.441 -10.711 1.00 0.00 H new ATOM 1059 N ASN A 67 19.295 5.582 -6.789 1.00 0.00 N ATOM 1060 CA ASN A 67 18.091 6.285 -7.242 1.00 0.00 C ATOM 1061 C ASN A 67 17.282 6.746 -6.037 1.00 0.00 C ATOM 1062 O ASN A 67 17.077 7.944 -5.825 1.00 0.00 O ATOM 1063 CB ASN A 67 17.206 5.383 -8.122 1.00 0.00 C ATOM 1064 CG ASN A 67 17.890 4.892 -9.387 1.00 0.00 C ATOM 1065 OD1 ASN A 67 18.798 5.536 -9.918 1.00 0.00 O ATOM 1066 ND2 ASN A 67 17.444 3.746 -9.882 1.00 0.00 N ATOM 0 H ASN A 67 19.347 4.605 -7.077 1.00 0.00 H new ATOM 0 HA ASN A 67 18.411 7.141 -7.836 1.00 0.00 H new ATOM 0 HB2 ASN A 67 16.887 4.521 -7.536 1.00 0.00 H new ATOM 0 HB3 ASN A 67 16.306 5.932 -8.398 1.00 0.00 H new ATOM 0 HD21 ASN A 67 17.854 3.365 -10.734 1.00 0.00 H new ATOM 0 HD22 ASN A 67 16.691 3.246 -9.410 1.00 0.00 H new ATOM 1073 N ILE A 68 16.854 5.768 -5.239 1.00 0.00 N ATOM 1074 CA ILE A 68 16.049 6.016 -4.045 1.00 0.00 C ATOM 1075 C ILE A 68 16.780 6.959 -3.093 1.00 0.00 C ATOM 1076 O ILE A 68 16.177 7.853 -2.491 1.00 0.00 O ATOM 1077 CB ILE A 68 15.734 4.686 -3.310 1.00 0.00 C ATOM 1078 CG1 ILE A 68 15.097 3.678 -4.284 1.00 0.00 C ATOM 1079 CG2 ILE A 68 14.819 4.931 -2.110 1.00 0.00 C ATOM 1080 CD1 ILE A 68 14.837 2.313 -3.676 1.00 0.00 C ATOM 0 H ILE A 68 17.056 4.782 -5.403 1.00 0.00 H new ATOM 0 HA ILE A 68 15.114 6.478 -4.362 1.00 0.00 H new ATOM 0 HB ILE A 68 16.669 4.267 -2.939 1.00 0.00 H new ATOM 0 HG12 ILE A 68 14.155 4.087 -4.650 1.00 0.00 H new ATOM 0 HG13 ILE A 68 15.750 3.561 -5.148 1.00 0.00 H new ATOM 0 HG21 ILE A 68 14.612 3.984 -1.611 1.00 0.00 H new ATOM 0 HG22 ILE A 68 15.308 5.610 -1.412 1.00 0.00 H new ATOM 0 HG23 ILE A 68 13.883 5.374 -2.451 1.00 0.00 H new ATOM 0 HD11 ILE A 68 14.388 1.661 -4.425 1.00 0.00 H new ATOM 0 HD12 ILE A 68 15.778 1.881 -3.336 1.00 0.00 H new ATOM 0 HD13 ILE A 68 14.158 2.415 -2.829 1.00 0.00 H new ATOM 1092 N TYR A 69 18.090 6.756 -2.983 1.00 0.00 N ATOM 1093 CA TYR A 69 18.933 7.568 -2.119 1.00 0.00 C ATOM 1094 C TYR A 69 18.816 9.049 -2.479 1.00 0.00 C ATOM 1095 O TYR A 69 18.327 9.850 -1.688 1.00 0.00 O ATOM 1096 CB TYR A 69 20.397 7.109 -2.219 1.00 0.00 C ATOM 1097 CG TYR A 69 21.353 7.932 -1.376 1.00 0.00 C ATOM 1098 CD1 TYR A 69 21.561 7.641 -0.030 1.00 0.00 C ATOM 1099 CD2 TYR A 69 22.043 9.006 -1.927 1.00 0.00 C ATOM 1100 CE1 TYR A 69 22.427 8.398 0.737 1.00 0.00 C ATOM 1101 CE2 TYR A 69 22.909 9.764 -1.171 1.00 0.00 C ATOM 1102 CZ TYR A 69 23.099 9.457 0.164 1.00 0.00 C ATOM 1103 OH TYR A 69 23.960 10.216 0.925 1.00 0.00 O ATOM 0 H TYR A 69 18.593 6.027 -3.489 1.00 0.00 H new ATOM 0 HA TYR A 69 18.593 7.439 -1.092 1.00 0.00 H new ATOM 0 HB2 TYR A 69 20.463 6.065 -1.913 1.00 0.00 H new ATOM 0 HB3 TYR A 69 20.713 7.156 -3.261 1.00 0.00 H new ATOM 0 HD1 TYR A 69 21.038 6.811 0.422 1.00 0.00 H new ATOM 0 HD2 TYR A 69 21.897 9.251 -2.969 1.00 0.00 H new ATOM 0 HE1 TYR A 69 22.576 8.161 1.780 1.00 0.00 H new ATOM 0 HE2 TYR A 69 23.437 10.593 -1.618 1.00 0.00 H new ATOM 0 HH TYR A 69 24.353 10.921 0.369 1.00 0.00 H new ATOM 1113 N GLN A 70 19.244 9.397 -3.686 1.00 0.00 N ATOM 1114 CA GLN A 70 19.305 10.796 -4.113 1.00 0.00 C ATOM 1115 C GLN A 70 17.926 11.460 -4.095 1.00 0.00 C ATOM 1116 O GLN A 70 17.815 12.665 -3.862 1.00 0.00 O ATOM 1117 CB GLN A 70 19.911 10.890 -5.516 1.00 0.00 C ATOM 1118 CG GLN A 70 21.377 10.471 -5.582 1.00 0.00 C ATOM 1119 CD GLN A 70 21.876 10.352 -7.010 1.00 0.00 C ATOM 1120 OE1 GLN A 70 22.387 11.313 -7.582 1.00 0.00 O ATOM 1121 NE2 GLN A 70 21.711 9.179 -7.602 1.00 0.00 N ATOM 0 H GLN A 70 19.556 8.730 -4.391 1.00 0.00 H new ATOM 0 HA GLN A 70 19.938 11.329 -3.404 1.00 0.00 H new ATOM 0 HB2 GLN A 70 19.333 10.263 -6.194 1.00 0.00 H new ATOM 0 HB3 GLN A 70 19.819 11.916 -5.874 1.00 0.00 H new ATOM 0 HG2 GLN A 70 21.986 11.199 -5.046 1.00 0.00 H new ATOM 0 HG3 GLN A 70 21.503 9.515 -5.074 1.00 0.00 H new ATOM 0 HE21 GLN A 70 21.282 8.406 -7.092 1.00 0.00 H new ATOM 0 HE22 GLN A 70 22.012 9.048 -8.568 1.00 0.00 H new ATOM 1130 N GLU A 71 16.886 10.669 -4.326 1.00 0.00 N ATOM 1131 CA GLU A 71 15.531 11.196 -4.450 1.00 0.00 C ATOM 1132 C GLU A 71 14.900 11.465 -3.082 1.00 0.00 C ATOM 1133 O GLU A 71 14.394 12.562 -2.831 1.00 0.00 O ATOM 1134 CB GLU A 71 14.664 10.216 -5.257 1.00 0.00 C ATOM 1135 CG GLU A 71 13.230 10.685 -5.501 1.00 0.00 C ATOM 1136 CD GLU A 71 13.145 11.922 -6.383 1.00 0.00 C ATOM 1137 OE1 GLU A 71 13.375 11.801 -7.608 1.00 0.00 O ATOM 1138 OE2 GLU A 71 12.840 13.015 -5.859 1.00 0.00 O ATOM 0 H GLU A 71 16.954 9.657 -4.432 1.00 0.00 H new ATOM 0 HA GLU A 71 15.586 12.149 -4.976 1.00 0.00 H new ATOM 0 HB2 GLU A 71 15.142 10.037 -6.220 1.00 0.00 H new ATOM 0 HB3 GLU A 71 14.635 9.261 -4.733 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.664 9.877 -5.965 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.756 10.897 -4.543 1.00 0.00 H new ATOM 1145 N PHE A 72 14.942 10.470 -2.198 1.00 0.00 N ATOM 1146 CA PHE A 72 14.216 10.542 -0.926 1.00 0.00 C ATOM 1147 C PHE A 72 15.156 10.667 0.271 1.00 0.00 C ATOM 1148 O PHE A 72 14.826 11.313 1.270 1.00 0.00 O ATOM 1149 CB PHE A 72 13.353 9.284 -0.742 1.00 0.00 C ATOM 1150 CG PHE A 72 12.458 8.970 -1.914 1.00 0.00 C ATOM 1151 CD1 PHE A 72 11.290 9.686 -2.124 1.00 0.00 C ATOM 1152 CD2 PHE A 72 12.787 7.955 -2.802 1.00 0.00 C ATOM 1153 CE1 PHE A 72 10.471 9.397 -3.197 1.00 0.00 C ATOM 1154 CE2 PHE A 72 11.969 7.662 -3.876 1.00 0.00 C ATOM 1155 CZ PHE A 72 10.809 8.384 -4.073 1.00 0.00 C ATOM 0 H PHE A 72 15.468 9.607 -2.336 1.00 0.00 H new ATOM 0 HA PHE A 72 13.592 11.435 -0.967 1.00 0.00 H new ATOM 0 HB2 PHE A 72 14.008 8.432 -0.561 1.00 0.00 H new ATOM 0 HB3 PHE A 72 12.737 9.407 0.148 1.00 0.00 H new ATOM 0 HD1 PHE A 72 11.018 10.478 -1.442 1.00 0.00 H new ATOM 0 HD2 PHE A 72 13.693 7.387 -2.651 1.00 0.00 H new ATOM 0 HE1 PHE A 72 9.565 9.964 -3.352 1.00 0.00 H new ATOM 0 HE2 PHE A 72 12.236 6.870 -4.560 1.00 0.00 H new ATOM 0 HZ PHE A 72 10.167 8.157 -4.911 1.00 0.00 H new ATOM 1165 N LEU A 73 16.325 10.051 0.165 1.00 0.00 N ATOM 1166 CA LEU A 73 17.190 9.824 1.322 1.00 0.00 C ATOM 1167 C LEU A 73 18.382 10.784 1.361 1.00 0.00 C ATOM 1168 O LEU A 73 19.079 10.866 2.373 1.00 0.00 O ATOM 1169 CB LEU A 73 17.677 8.372 1.285 1.00 0.00 C ATOM 1170 CG LEU A 73 16.556 7.325 1.151 1.00 0.00 C ATOM 1171 CD1 LEU A 73 17.121 5.959 0.776 1.00 0.00 C ATOM 1172 CD2 LEU A 73 15.743 7.243 2.441 1.00 0.00 C ATOM 0 H LEU A 73 16.701 9.696 -0.714 1.00 0.00 H new ATOM 0 HA LEU A 73 16.612 10.014 2.226 1.00 0.00 H new ATOM 0 HB2 LEU A 73 18.368 8.255 0.450 1.00 0.00 H new ATOM 0 HB3 LEU A 73 18.240 8.168 2.196 1.00 0.00 H new ATOM 0 HG LEU A 73 15.892 7.641 0.346 1.00 0.00 H new ATOM 0 HD11 LEU A 73 16.307 5.240 0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 73 17.645 6.031 -0.177 1.00 0.00 H new ATOM 0 HD13 LEU A 73 17.816 5.628 1.548 1.00 0.00 H new ATOM 0 HD21 LEU A 73 14.955 6.498 2.328 1.00 0.00 H new ATOM 0 HD22 LEU A 73 16.397 6.958 3.265 1.00 0.00 H new ATOM 0 HD23 LEU A 73 15.296 8.215 2.652 1.00 0.00 H new ATOM 1184 N SER A 74 18.617 11.503 0.266 1.00 0.00 N ATOM 1185 CA SER A 74 19.755 12.417 0.186 1.00 0.00 C ATOM 1186 C SER A 74 19.542 13.640 1.074 1.00 0.00 C ATOM 1187 O SER A 74 18.409 13.985 1.420 1.00 0.00 O ATOM 1188 CB SER A 74 19.989 12.863 -1.266 1.00 0.00 C ATOM 1189 OG SER A 74 21.008 13.850 -1.344 1.00 0.00 O ATOM 0 H SER A 74 18.039 11.472 -0.574 1.00 0.00 H new ATOM 0 HA SER A 74 20.635 11.881 0.540 1.00 0.00 H new ATOM 0 HB2 SER A 74 20.267 12.001 -1.873 1.00 0.00 H new ATOM 0 HB3 SER A 74 19.062 13.260 -1.681 1.00 0.00 H new ATOM 0 HG SER A 74 21.137 14.114 -2.279 1.00 0.00 H new ATOM 1195 N SER A 75 20.639 14.295 1.432 1.00 0.00 N ATOM 1196 CA SER A 75 20.581 15.546 2.175 1.00 0.00 C ATOM 1197 C SER A 75 20.041 16.662 1.280 1.00 0.00 C ATOM 1198 O SER A 75 19.570 17.693 1.758 1.00 0.00 O ATOM 1199 CB SER A 75 21.977 15.893 2.701 1.00 0.00 C ATOM 1200 OG SER A 75 22.958 15.710 1.694 1.00 0.00 O ATOM 0 H SER A 75 21.585 13.978 1.218 1.00 0.00 H new ATOM 0 HA SER A 75 19.906 15.436 3.024 1.00 0.00 H new ATOM 0 HB2 SER A 75 21.993 16.927 3.046 1.00 0.00 H new ATOM 0 HB3 SER A 75 22.212 15.266 3.561 1.00 0.00 H new ATOM 0 HG SER A 75 23.841 15.939 2.052 1.00 0.00 H new ATOM 1206 N GLN A 76 20.114 16.430 -0.030 1.00 0.00 N ATOM 1207 CA GLN A 76 19.590 17.361 -1.029 1.00 0.00 C ATOM 1208 C GLN A 76 18.409 16.719 -1.758 1.00 0.00 C ATOM 1209 O GLN A 76 18.087 17.089 -2.889 1.00 0.00 O ATOM 1210 CB GLN A 76 20.690 17.726 -2.035 1.00 0.00 C ATOM 1211 CG GLN A 76 21.947 18.309 -1.397 1.00 0.00 C ATOM 1212 CD GLN A 76 23.041 18.576 -2.415 1.00 0.00 C ATOM 1213 OE1 GLN A 76 23.862 17.705 -2.702 1.00 0.00 O ATOM 1214 NE2 GLN A 76 23.060 19.776 -2.968 1.00 0.00 N ATOM 0 H GLN A 76 20.538 15.592 -0.429 1.00 0.00 H new ATOM 0 HA GLN A 76 19.254 18.270 -0.530 1.00 0.00 H new ATOM 0 HB2 GLN A 76 20.962 16.834 -2.600 1.00 0.00 H new ATOM 0 HB3 GLN A 76 20.290 18.446 -2.749 1.00 0.00 H new ATOM 0 HG2 GLN A 76 21.695 19.238 -0.886 1.00 0.00 H new ATOM 0 HG3 GLN A 76 22.320 17.620 -0.639 1.00 0.00 H new ATOM 0 HE21 GLN A 76 22.362 20.471 -2.703 1.00 0.00 H new ATOM 0 HE22 GLN A 76 23.773 20.008 -3.660 1.00 0.00 H new ATOM 1223 N ALA A 77 17.769 15.762 -1.084 1.00 0.00 N ATOM 1224 CA ALA A 77 16.672 14.989 -1.662 1.00 0.00 C ATOM 1225 C ALA A 77 15.566 15.894 -2.196 1.00 0.00 C ATOM 1226 O ALA A 77 15.201 16.887 -1.562 1.00 0.00 O ATOM 1227 CB ALA A 77 16.106 14.026 -0.624 1.00 0.00 C ATOM 0 H ALA A 77 17.997 15.502 -0.124 1.00 0.00 H new ATOM 0 HA ALA A 77 17.072 14.421 -2.502 1.00 0.00 H new ATOM 0 HB1 ALA A 77 15.289 13.455 -1.065 1.00 0.00 H new ATOM 0 HB2 ALA A 77 16.890 13.344 -0.295 1.00 0.00 H new ATOM 0 HB3 ALA A 77 15.734 14.590 0.231 1.00 0.00 H new ATOM 1233 N LEU A 78 15.036 15.539 -3.360 1.00 0.00 N ATOM 1234 CA LEU A 78 13.961 16.302 -3.985 1.00 0.00 C ATOM 1235 C LEU A 78 12.627 15.952 -3.327 1.00 0.00 C ATOM 1236 O LEU A 78 11.672 16.736 -3.367 1.00 0.00 O ATOM 1237 CB LEU A 78 13.897 16.027 -5.498 1.00 0.00 C ATOM 1238 CG LEU A 78 15.119 16.475 -6.326 1.00 0.00 C ATOM 1239 CD1 LEU A 78 16.351 15.628 -6.008 1.00 0.00 C ATOM 1240 CD2 LEU A 78 14.799 16.423 -7.818 1.00 0.00 C ATOM 0 H LEU A 78 15.335 14.723 -3.893 1.00 0.00 H new ATOM 0 HA LEU A 78 14.164 17.364 -3.844 1.00 0.00 H new ATOM 0 HB2 LEU A 78 13.758 14.956 -5.646 1.00 0.00 H new ATOM 0 HB3 LEU A 78 13.012 16.522 -5.899 1.00 0.00 H new ATOM 0 HG LEU A 78 15.349 17.505 -6.054 1.00 0.00 H new ATOM 0 HD11 LEU A 78 17.193 15.971 -6.609 1.00 0.00 H new ATOM 0 HD12 LEU A 78 16.596 15.725 -4.950 1.00 0.00 H new ATOM 0 HD13 LEU A 78 16.143 14.583 -6.238 1.00 0.00 H new ATOM 0 HD21 LEU A 78 15.671 16.742 -8.389 1.00 0.00 H new ATOM 0 HD22 LEU A 78 14.535 15.403 -8.098 1.00 0.00 H new ATOM 0 HD23 LEU A 78 13.962 17.087 -8.034 1.00 0.00 H new ATOM 1252 N SER A 79 12.577 14.769 -2.721 1.00 0.00 N ATOM 1253 CA SER A 79 11.393 14.304 -2.007 1.00 0.00 C ATOM 1254 C SER A 79 11.802 13.692 -0.660 1.00 0.00 C ATOM 1255 O SER A 79 11.818 12.471 -0.500 1.00 0.00 O ATOM 1256 CB SER A 79 10.642 13.274 -2.861 1.00 0.00 C ATOM 1257 OG SER A 79 10.541 13.704 -4.209 1.00 0.00 O ATOM 0 H SER A 79 13.354 14.108 -2.711 1.00 0.00 H new ATOM 0 HA SER A 79 10.731 15.149 -1.817 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.160 12.316 -2.820 1.00 0.00 H new ATOM 0 HB3 SER A 79 9.645 13.115 -2.451 1.00 0.00 H new ATOM 0 HG SER A 79 11.354 13.453 -4.694 1.00 0.00 H new ATOM 1263 N PRO A 80 12.160 14.538 0.326 1.00 0.00 N ATOM 1264 CA PRO A 80 12.666 14.074 1.624 1.00 0.00 C ATOM 1265 C PRO A 80 11.598 13.354 2.453 1.00 0.00 C ATOM 1266 O PRO A 80 10.715 13.988 3.033 1.00 0.00 O ATOM 1267 CB PRO A 80 13.115 15.369 2.318 1.00 0.00 C ATOM 1268 CG PRO A 80 12.297 16.442 1.684 1.00 0.00 C ATOM 1269 CD PRO A 80 12.094 16.012 0.255 1.00 0.00 C ATOM 0 HA PRO A 80 13.464 13.341 1.508 1.00 0.00 H new ATOM 0 HB2 PRO A 80 12.942 15.322 3.393 1.00 0.00 H new ATOM 0 HB3 PRO A 80 14.181 15.546 2.174 1.00 0.00 H new ATOM 0 HG2 PRO A 80 11.342 16.560 2.196 1.00 0.00 H new ATOM 0 HG3 PRO A 80 12.807 17.404 1.734 1.00 0.00 H new ATOM 0 HD2 PRO A 80 11.135 16.353 -0.134 1.00 0.00 H new ATOM 0 HD3 PRO A 80 12.866 16.417 -0.400 1.00 0.00 H new ATOM 1277 N VAL A 81 11.673 12.026 2.485 1.00 0.00 N ATOM 1278 CA VAL A 81 10.771 11.224 3.309 1.00 0.00 C ATOM 1279 C VAL A 81 11.214 11.260 4.774 1.00 0.00 C ATOM 1280 O VAL A 81 12.416 11.223 5.072 1.00 0.00 O ATOM 1281 CB VAL A 81 10.696 9.756 2.817 1.00 0.00 C ATOM 1282 CG1 VAL A 81 10.089 9.696 1.417 1.00 0.00 C ATOM 1283 CG2 VAL A 81 12.076 9.096 2.842 1.00 0.00 C ATOM 0 H VAL A 81 12.349 11.482 1.950 1.00 0.00 H new ATOM 0 HA VAL A 81 9.775 11.659 3.221 1.00 0.00 H new ATOM 0 HB VAL A 81 10.051 9.200 3.497 1.00 0.00 H new ATOM 0 HG11 VAL A 81 10.043 8.659 1.085 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.083 10.116 1.438 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.707 10.271 0.727 1.00 0.00 H new ATOM 0 HG21 VAL A 81 11.994 8.067 2.492 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.755 9.647 2.191 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.464 9.103 3.861 1.00 0.00 H new ATOM 1293 N ASN A 82 10.244 11.336 5.679 1.00 0.00 N ATOM 1294 CA ASN A 82 10.527 11.503 7.103 1.00 0.00 C ATOM 1295 C ASN A 82 10.754 10.158 7.791 1.00 0.00 C ATOM 1296 O ASN A 82 9.808 9.454 8.147 1.00 0.00 O ATOM 1297 CB ASN A 82 9.398 12.277 7.798 1.00 0.00 C ATOM 1298 CG ASN A 82 9.295 13.718 7.316 1.00 0.00 C ATOM 1299 OD1 ASN A 82 8.569 14.022 6.365 1.00 0.00 O ATOM 1300 ND2 ASN A 82 10.020 14.618 7.968 1.00 0.00 N ATOM 0 H ASN A 82 9.251 11.285 5.452 1.00 0.00 H new ATOM 0 HA ASN A 82 11.447 12.081 7.187 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.450 11.769 7.619 1.00 0.00 H new ATOM 0 HB3 ASN A 82 9.566 12.269 8.875 1.00 0.00 H new ATOM 0 HD21 ASN A 82 9.989 15.598 7.688 1.00 0.00 H new ATOM 0 HD22 ASN A 82 10.609 14.330 8.749 1.00 0.00 H new ATOM 1307 N ILE A 83 12.025 9.811 7.943 1.00 0.00 N ATOM 1308 CA ILE A 83 12.454 8.621 8.679 1.00 0.00 C ATOM 1309 C ILE A 83 13.646 9.008 9.555 1.00 0.00 C ATOM 1310 O ILE A 83 14.170 10.119 9.413 1.00 0.00 O ATOM 1311 CB ILE A 83 12.851 7.467 7.717 1.00 0.00 C ATOM 1312 CG1 ILE A 83 14.021 7.903 6.813 1.00 0.00 C ATOM 1313 CG2 ILE A 83 11.653 7.027 6.879 1.00 0.00 C ATOM 1314 CD1 ILE A 83 14.407 6.881 5.764 1.00 0.00 C ATOM 0 H ILE A 83 12.799 10.351 7.556 1.00 0.00 H new ATOM 0 HA ILE A 83 11.627 8.260 9.291 1.00 0.00 H new ATOM 0 HB ILE A 83 13.176 6.615 8.314 1.00 0.00 H new ATOM 0 HG12 ILE A 83 13.754 8.835 6.315 1.00 0.00 H new ATOM 0 HG13 ILE A 83 14.890 8.113 7.437 1.00 0.00 H new ATOM 0 HG21 ILE A 83 11.953 6.218 6.212 1.00 0.00 H new ATOM 0 HG22 ILE A 83 10.857 6.679 7.537 1.00 0.00 H new ATOM 0 HG23 ILE A 83 11.293 7.869 6.288 1.00 0.00 H new ATOM 0 HD11 ILE A 83 15.237 7.264 5.170 1.00 0.00 H new ATOM 0 HD12 ILE A 83 14.708 5.954 6.252 1.00 0.00 H new ATOM 0 HD13 ILE A 83 13.554 6.688 5.113 1.00 0.00 H new ATOM 1326 N ASP A 84 14.089 8.122 10.443 1.00 0.00 N ATOM 1327 CA ASP A 84 15.170 8.471 11.369 1.00 0.00 C ATOM 1328 C ASP A 84 16.508 8.549 10.630 1.00 0.00 C ATOM 1329 O ASP A 84 17.152 7.538 10.350 1.00 0.00 O ATOM 1330 CB ASP A 84 15.236 7.507 12.572 1.00 0.00 C ATOM 1331 CG ASP A 84 15.525 6.056 12.208 1.00 0.00 C ATOM 1332 OD1 ASP A 84 14.616 5.380 11.684 1.00 0.00 O ATOM 1333 OD2 ASP A 84 16.646 5.574 12.492 1.00 0.00 O ATOM 0 H ASP A 84 13.727 7.174 10.543 1.00 0.00 H new ATOM 0 HA ASP A 84 14.952 9.458 11.776 1.00 0.00 H new ATOM 0 HB2 ASP A 84 16.007 7.856 13.258 1.00 0.00 H new ATOM 0 HB3 ASP A 84 14.288 7.551 13.109 1.00 0.00 H new ATOM 1338 N ARG A 85 16.898 9.776 10.289 1.00 0.00 N ATOM 1339 CA ARG A 85 18.125 10.031 9.540 1.00 0.00 C ATOM 1340 C ARG A 85 19.338 9.942 10.463 1.00 0.00 C ATOM 1341 O ARG A 85 20.408 9.481 10.059 1.00 0.00 O ATOM 1342 CB ARG A 85 18.070 11.422 8.890 1.00 0.00 C ATOM 1343 CG ARG A 85 16.870 11.644 7.972 1.00 0.00 C ATOM 1344 CD ARG A 85 16.909 10.736 6.748 1.00 0.00 C ATOM 1345 NE ARG A 85 15.788 10.997 5.837 1.00 0.00 N ATOM 1346 CZ ARG A 85 15.884 11.713 4.713 1.00 0.00 C ATOM 1347 NH1 ARG A 85 17.038 12.275 4.370 1.00 0.00 N ATOM 1348 NH2 ARG A 85 14.819 11.886 3.942 1.00 0.00 N ATOM 0 H ARG A 85 16.373 10.619 10.524 1.00 0.00 H new ATOM 0 HA ARG A 85 18.217 9.275 8.760 1.00 0.00 H new ATOM 0 HB2 ARG A 85 18.054 12.176 9.677 1.00 0.00 H new ATOM 0 HB3 ARG A 85 18.984 11.578 8.317 1.00 0.00 H new ATOM 0 HG2 ARG A 85 15.950 11.463 8.528 1.00 0.00 H new ATOM 0 HG3 ARG A 85 16.848 12.685 7.650 1.00 0.00 H new ATOM 0 HD2 ARG A 85 17.850 10.882 6.217 1.00 0.00 H new ATOM 0 HD3 ARG A 85 16.882 9.694 7.068 1.00 0.00 H new ATOM 0 HE ARG A 85 14.877 10.607 6.078 1.00 0.00 H new ATOM 0 HH11 ARG A 85 17.858 12.161 4.966 1.00 0.00 H new ATOM 0 HH12 ARG A 85 17.104 12.820 3.511 1.00 0.00 H new ATOM 0 HH21 ARG A 85 13.925 11.472 4.207 1.00 0.00 H new ATOM 0 HH22 ARG A 85 14.894 12.433 3.084 1.00 0.00 H new ATOM 1362 N GLN A 86 19.149 10.382 11.706 1.00 0.00 N ATOM 1363 CA GLN A 86 20.211 10.395 12.710 1.00 0.00 C ATOM 1364 C GLN A 86 20.888 9.027 12.816 1.00 0.00 C ATOM 1365 O GLN A 86 22.114 8.929 12.872 1.00 0.00 O ATOM 1366 CB GLN A 86 19.636 10.801 14.075 1.00 0.00 C ATOM 1367 CG GLN A 86 20.675 10.888 15.189 1.00 0.00 C ATOM 1368 CD GLN A 86 21.684 12.007 14.980 1.00 0.00 C ATOM 1369 OE1 GLN A 86 21.366 13.051 14.406 1.00 0.00 O ATOM 1370 NE2 GLN A 86 22.908 11.794 15.436 1.00 0.00 N ATOM 0 H GLN A 86 18.256 10.739 12.045 1.00 0.00 H new ATOM 0 HA GLN A 86 20.961 11.123 12.401 1.00 0.00 H new ATOM 0 HB2 GLN A 86 19.143 11.768 13.976 1.00 0.00 H new ATOM 0 HB3 GLN A 86 18.870 10.081 14.363 1.00 0.00 H new ATOM 0 HG2 GLN A 86 20.166 11.039 16.141 1.00 0.00 H new ATOM 0 HG3 GLN A 86 21.205 9.938 15.258 1.00 0.00 H new ATOM 0 HE21 GLN A 86 23.132 10.917 15.906 1.00 0.00 H new ATOM 0 HE22 GLN A 86 23.628 12.507 15.318 1.00 0.00 H new ATOM 1379 N ALA A 87 20.076 7.973 12.828 1.00 0.00 N ATOM 1380 CA ALA A 87 20.578 6.607 12.959 1.00 0.00 C ATOM 1381 C ALA A 87 20.433 5.844 11.647 1.00 0.00 C ATOM 1382 O ALA A 87 20.444 4.609 11.626 1.00 0.00 O ATOM 1383 CB ALA A 87 19.838 5.883 14.078 1.00 0.00 C ATOM 0 H ALA A 87 19.061 8.039 12.748 1.00 0.00 H new ATOM 0 HA ALA A 87 21.638 6.654 13.207 1.00 0.00 H new ATOM 0 HB1 ALA A 87 20.219 4.866 14.168 1.00 0.00 H new ATOM 0 HB2 ALA A 87 19.992 6.413 15.018 1.00 0.00 H new ATOM 0 HB3 ALA A 87 18.773 5.852 13.849 1.00 0.00 H new ATOM 1389 N TRP A 88 20.297 6.577 10.546 1.00 0.00 N ATOM 1390 CA TRP A 88 20.158 5.952 9.238 1.00 0.00 C ATOM 1391 C TRP A 88 21.518 5.440 8.759 1.00 0.00 C ATOM 1392 O TRP A 88 22.561 5.884 9.247 1.00 0.00 O ATOM 1393 CB TRP A 88 19.546 6.925 8.219 1.00 0.00 C ATOM 1394 CG TRP A 88 18.927 6.220 7.051 1.00 0.00 C ATOM 1395 CD1 TRP A 88 17.749 5.530 7.051 1.00 0.00 C ATOM 1396 CD2 TRP A 88 19.451 6.120 5.722 1.00 0.00 C ATOM 1397 NE1 TRP A 88 17.514 5.000 5.808 1.00 0.00 N ATOM 1398 CE2 TRP A 88 18.542 5.349 4.975 1.00 0.00 C ATOM 1399 CE3 TRP A 88 20.598 6.606 5.091 1.00 0.00 C ATOM 1400 CZ2 TRP A 88 18.749 5.051 3.634 1.00 0.00 C ATOM 1401 CZ3 TRP A 88 20.802 6.307 3.757 1.00 0.00 C ATOM 1402 CH2 TRP A 88 19.881 5.538 3.043 1.00 0.00 C ATOM 0 H TRP A 88 20.280 7.597 10.534 1.00 0.00 H new ATOM 0 HA TRP A 88 19.477 5.106 9.329 1.00 0.00 H new ATOM 0 HB2 TRP A 88 18.790 7.535 8.713 1.00 0.00 H new ATOM 0 HB3 TRP A 88 20.319 7.604 7.861 1.00 0.00 H new ATOM 0 HD1 TRP A 88 17.097 5.418 7.905 1.00 0.00 H new ATOM 0 HE1 TRP A 88 16.704 4.437 5.547 1.00 0.00 H new ATOM 0 HE3 TRP A 88 21.313 7.205 5.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 18.040 4.455 3.078 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 21.687 6.674 3.259 1.00 0.00 H new ATOM 0 HH2 TRP A 88 20.067 5.323 2.001 1.00 0.00 H new ATOM 1413 N LEU A 89 21.496 4.515 7.805 1.00 0.00 N ATOM 1414 CA LEU A 89 22.708 3.831 7.347 1.00 0.00 C ATOM 1415 C LEU A 89 23.706 4.824 6.752 1.00 0.00 C ATOM 1416 O LEU A 89 24.788 5.042 7.297 1.00 0.00 O ATOM 1417 CB LEU A 89 22.368 2.751 6.301 1.00 0.00 C ATOM 1418 CG LEU A 89 21.429 1.622 6.772 1.00 0.00 C ATOM 1419 CD1 LEU A 89 19.993 2.123 6.931 1.00 0.00 C ATOM 1420 CD2 LEU A 89 21.486 0.442 5.805 1.00 0.00 C ATOM 0 H LEU A 89 20.645 4.217 7.328 1.00 0.00 H new ATOM 0 HA LEU A 89 23.162 3.353 8.215 1.00 0.00 H new ATOM 0 HB2 LEU A 89 21.912 3.239 5.440 1.00 0.00 H new ATOM 0 HB3 LEU A 89 23.299 2.301 5.957 1.00 0.00 H new ATOM 0 HG LEU A 89 21.772 1.286 7.750 1.00 0.00 H new ATOM 0 HD11 LEU A 89 19.356 1.303 7.264 1.00 0.00 H new ATOM 0 HD12 LEU A 89 19.967 2.925 7.668 1.00 0.00 H new ATOM 0 HD13 LEU A 89 19.630 2.498 5.974 1.00 0.00 H new ATOM 0 HD21 LEU A 89 20.818 -0.346 6.152 1.00 0.00 H new ATOM 0 HD22 LEU A 89 21.176 0.770 4.813 1.00 0.00 H new ATOM 0 HD23 LEU A 89 22.505 0.059 5.759 1.00 0.00 H new ATOM 1432 N GLY A 90 23.329 5.417 5.628 1.00 0.00 N ATOM 1433 CA GLY A 90 24.191 6.362 4.946 1.00 0.00 C ATOM 1434 C GLY A 90 24.915 5.712 3.786 1.00 0.00 C ATOM 1435 O GLY A 90 24.313 4.964 3.018 1.00 0.00 O ATOM 0 H GLY A 90 22.431 5.258 5.172 1.00 0.00 H new ATOM 0 HA2 GLY A 90 23.598 7.201 4.582 1.00 0.00 H new ATOM 0 HA3 GLY A 90 24.918 6.767 5.650 1.00 0.00 H new ATOM 1439 N GLU A 91 26.213 5.967 3.687 1.00 0.00 N ATOM 1440 CA GLU A 91 27.041 5.433 2.603 1.00 0.00 C ATOM 1441 C GLU A 91 27.008 3.898 2.571 1.00 0.00 C ATOM 1442 O GLU A 91 27.250 3.287 1.527 1.00 0.00 O ATOM 1443 CB GLU A 91 28.488 5.927 2.767 1.00 0.00 C ATOM 1444 CG GLU A 91 29.413 5.546 1.614 1.00 0.00 C ATOM 1445 CD GLU A 91 30.832 6.056 1.811 1.00 0.00 C ATOM 1446 OE1 GLU A 91 31.033 7.289 1.779 1.00 0.00 O ATOM 1447 OE2 GLU A 91 31.754 5.232 2.006 1.00 0.00 O ATOM 0 H GLU A 91 26.724 6.548 4.352 1.00 0.00 H new ATOM 0 HA GLU A 91 26.635 5.792 1.657 1.00 0.00 H new ATOM 0 HB2 GLU A 91 28.480 7.012 2.869 1.00 0.00 H new ATOM 0 HB3 GLU A 91 28.895 5.523 3.694 1.00 0.00 H new ATOM 0 HG2 GLU A 91 29.432 4.461 1.511 1.00 0.00 H new ATOM 0 HG3 GLU A 91 29.012 5.948 0.683 1.00 0.00 H new ATOM 1454 N GLU A 92 26.666 3.284 3.705 1.00 0.00 N ATOM 1455 CA GLU A 92 26.690 1.833 3.832 1.00 0.00 C ATOM 1456 C GLU A 92 25.713 1.195 2.856 1.00 0.00 C ATOM 1457 O GLU A 92 25.986 0.133 2.294 1.00 0.00 O ATOM 1458 CB GLU A 92 26.348 1.406 5.267 1.00 0.00 C ATOM 1459 CG GLU A 92 26.372 -0.106 5.473 1.00 0.00 C ATOM 1460 CD GLU A 92 26.039 -0.521 6.896 1.00 0.00 C ATOM 1461 OE1 GLU A 92 26.930 -0.444 7.768 1.00 0.00 O ATOM 1462 OE2 GLU A 92 24.890 -0.944 7.146 1.00 0.00 O ATOM 0 H GLU A 92 26.369 3.774 4.549 1.00 0.00 H new ATOM 0 HA GLU A 92 27.698 1.491 3.597 1.00 0.00 H new ATOM 0 HB2 GLU A 92 27.056 1.870 5.954 1.00 0.00 H new ATOM 0 HB3 GLU A 92 25.359 1.784 5.524 1.00 0.00 H new ATOM 0 HG2 GLU A 92 25.661 -0.571 4.790 1.00 0.00 H new ATOM 0 HG3 GLU A 92 27.360 -0.486 5.212 1.00 0.00 H new ATOM 1469 N VAL A 93 24.584 1.862 2.632 1.00 0.00 N ATOM 1470 CA VAL A 93 23.543 1.297 1.790 1.00 0.00 C ATOM 1471 C VAL A 93 23.952 1.344 0.314 1.00 0.00 C ATOM 1472 O VAL A 93 23.445 0.579 -0.507 1.00 0.00 O ATOM 1473 CB VAL A 93 22.172 1.996 1.996 1.00 0.00 C ATOM 1474 CG1 VAL A 93 22.165 3.405 1.411 1.00 0.00 C ATOM 1475 CG2 VAL A 93 21.047 1.150 1.406 1.00 0.00 C ATOM 0 H VAL A 93 24.371 2.782 3.018 1.00 0.00 H new ATOM 0 HA VAL A 93 23.423 0.256 2.091 1.00 0.00 H new ATOM 0 HB VAL A 93 22.004 2.092 3.069 1.00 0.00 H new ATOM 0 HG11 VAL A 93 21.189 3.862 1.575 1.00 0.00 H new ATOM 0 HG12 VAL A 93 22.933 4.005 1.899 1.00 0.00 H new ATOM 0 HG13 VAL A 93 22.368 3.356 0.341 1.00 0.00 H new ATOM 0 HG21 VAL A 93 20.093 1.655 1.559 1.00 0.00 H new ATOM 0 HG22 VAL A 93 21.217 1.012 0.338 1.00 0.00 H new ATOM 0 HG23 VAL A 93 21.026 0.178 1.899 1.00 0.00 H new ATOM 1485 N LEU A 94 24.875 2.249 -0.013 1.00 0.00 N ATOM 1486 CA LEU A 94 25.455 2.302 -1.354 1.00 0.00 C ATOM 1487 C LEU A 94 26.588 1.288 -1.456 1.00 0.00 C ATOM 1488 O LEU A 94 26.830 0.710 -2.517 1.00 0.00 O ATOM 1489 CB LEU A 94 25.990 3.710 -1.690 1.00 0.00 C ATOM 1490 CG LEU A 94 24.941 4.837 -1.795 1.00 0.00 C ATOM 1491 CD1 LEU A 94 23.765 4.414 -2.675 1.00 0.00 C ATOM 1492 CD2 LEU A 94 24.467 5.282 -0.414 1.00 0.00 C ATOM 0 H LEU A 94 25.236 2.953 0.631 1.00 0.00 H new ATOM 0 HA LEU A 94 24.669 2.063 -2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 94 26.717 3.990 -0.927 1.00 0.00 H new ATOM 0 HB3 LEU A 94 26.527 3.654 -2.637 1.00 0.00 H new ATOM 0 HG LEU A 94 25.420 5.693 -2.270 1.00 0.00 H new ATOM 0 HD11 LEU A 94 23.042 5.227 -2.731 1.00 0.00 H new ATOM 0 HD12 LEU A 94 24.126 4.180 -3.676 1.00 0.00 H new ATOM 0 HD13 LEU A 94 23.288 3.533 -2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 94 23.729 6.077 -0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 94 24.017 4.436 0.106 1.00 0.00 H new ATOM 0 HD23 LEU A 94 25.316 5.651 0.161 1.00 0.00 H new ATOM 1504 N ALA A 95 27.274 1.078 -0.333 1.00 0.00 N ATOM 1505 CA ALA A 95 28.400 0.153 -0.265 1.00 0.00 C ATOM 1506 C ALA A 95 27.941 -1.284 -0.497 1.00 0.00 C ATOM 1507 O ALA A 95 28.552 -2.025 -1.273 1.00 0.00 O ATOM 1508 CB ALA A 95 29.103 0.280 1.084 1.00 0.00 C ATOM 0 H ALA A 95 27.065 1.543 0.550 1.00 0.00 H new ATOM 0 HA ALA A 95 29.105 0.411 -1.055 1.00 0.00 H new ATOM 0 HB1 ALA A 95 29.942 -0.415 1.124 1.00 0.00 H new ATOM 0 HB2 ALA A 95 29.470 1.299 1.209 1.00 0.00 H new ATOM 0 HB3 ALA A 95 28.400 0.047 1.884 1.00 0.00 H new ATOM 1514 N GLU A 96 26.861 -1.674 0.175 1.00 0.00 N ATOM 1515 CA GLU A 96 26.317 -3.021 0.042 1.00 0.00 C ATOM 1516 C GLU A 96 24.795 -2.980 -0.147 1.00 0.00 C ATOM 1517 O GLU A 96 24.031 -2.968 0.820 1.00 0.00 O ATOM 1518 CB GLU A 96 26.693 -3.884 1.261 1.00 0.00 C ATOM 1519 CG GLU A 96 26.247 -3.308 2.604 1.00 0.00 C ATOM 1520 CD GLU A 96 26.471 -4.274 3.755 1.00 0.00 C ATOM 1521 OE1 GLU A 96 25.879 -5.378 3.733 1.00 0.00 O ATOM 1522 OE2 GLU A 96 27.236 -3.939 4.682 1.00 0.00 O ATOM 0 H GLU A 96 26.345 -1.074 0.818 1.00 0.00 H new ATOM 0 HA GLU A 96 26.755 -3.477 -0.846 1.00 0.00 H new ATOM 0 HB2 GLU A 96 26.253 -4.874 1.140 1.00 0.00 H new ATOM 0 HB3 GLU A 96 27.775 -4.016 1.277 1.00 0.00 H new ATOM 0 HG2 GLU A 96 26.792 -2.384 2.798 1.00 0.00 H new ATOM 0 HG3 GLU A 96 25.189 -3.050 2.552 1.00 0.00 H new ATOM 1529 N PRO A 97 24.328 -2.924 -1.403 1.00 0.00 N ATOM 1530 CA PRO A 97 22.901 -2.956 -1.701 1.00 0.00 C ATOM 1531 C PRO A 97 22.343 -4.376 -1.609 1.00 0.00 C ATOM 1532 O PRO A 97 22.875 -5.309 -2.216 1.00 0.00 O ATOM 1533 CB PRO A 97 22.831 -2.431 -3.133 1.00 0.00 C ATOM 1534 CG PRO A 97 24.129 -2.848 -3.744 1.00 0.00 C ATOM 1535 CD PRO A 97 25.148 -2.815 -2.628 1.00 0.00 C ATOM 0 HA PRO A 97 22.309 -2.369 -0.999 1.00 0.00 H new ATOM 0 HB2 PRO A 97 21.984 -2.856 -3.671 1.00 0.00 H new ATOM 0 HB3 PRO A 97 22.711 -1.348 -3.154 1.00 0.00 H new ATOM 0 HG2 PRO A 97 24.054 -3.847 -4.174 1.00 0.00 H new ATOM 0 HG3 PRO A 97 24.414 -2.174 -4.552 1.00 0.00 H new ATOM 0 HD2 PRO A 97 25.858 -3.638 -2.709 1.00 0.00 H new ATOM 0 HD3 PRO A 97 25.727 -1.892 -2.642 1.00 0.00 H new ATOM 1543 N ARG A 98 21.273 -4.528 -0.843 1.00 0.00 N ATOM 1544 CA ARG A 98 20.633 -5.822 -0.644 1.00 0.00 C ATOM 1545 C ARG A 98 19.128 -5.611 -0.484 1.00 0.00 C ATOM 1546 O ARG A 98 18.708 -4.647 0.162 1.00 0.00 O ATOM 1547 CB ARG A 98 21.242 -6.527 0.583 1.00 0.00 C ATOM 1548 CG ARG A 98 21.096 -5.746 1.889 1.00 0.00 C ATOM 1549 CD ARG A 98 22.150 -6.143 2.921 1.00 0.00 C ATOM 1550 NE ARG A 98 22.046 -7.547 3.320 1.00 0.00 N ATOM 1551 CZ ARG A 98 22.933 -8.171 4.099 1.00 0.00 C ATOM 1552 NH1 ARG A 98 24.025 -7.537 4.517 1.00 0.00 N ATOM 1553 NH2 ARG A 98 22.733 -9.433 4.454 1.00 0.00 N ATOM 0 H ARG A 98 20.824 -3.761 -0.343 1.00 0.00 H new ATOM 0 HA ARG A 98 20.803 -6.464 -1.508 1.00 0.00 H new ATOM 0 HB2 ARG A 98 20.769 -7.502 0.700 1.00 0.00 H new ATOM 0 HB3 ARG A 98 22.301 -6.707 0.397 1.00 0.00 H new ATOM 0 HG2 ARG A 98 21.176 -4.679 1.683 1.00 0.00 H new ATOM 0 HG3 ARG A 98 20.102 -5.917 2.303 1.00 0.00 H new ATOM 0 HD2 ARG A 98 23.143 -5.958 2.510 1.00 0.00 H new ATOM 0 HD3 ARG A 98 22.047 -5.510 3.802 1.00 0.00 H new ATOM 0 HE ARG A 98 21.246 -8.082 2.982 1.00 0.00 H new ATOM 0 HH11 ARG A 98 24.189 -6.568 4.243 1.00 0.00 H new ATOM 0 HH12 ARG A 98 24.699 -8.019 5.112 1.00 0.00 H new ATOM 0 HH21 ARG A 98 21.901 -9.928 4.132 1.00 0.00 H new ATOM 0 HH22 ARG A 98 23.411 -9.909 5.049 1.00 0.00 H new ATOM 1567 N PRO A 99 18.299 -6.513 -1.045 1.00 0.00 N ATOM 1568 CA PRO A 99 16.839 -6.310 -1.154 1.00 0.00 C ATOM 1569 C PRO A 99 16.101 -6.476 0.180 1.00 0.00 C ATOM 1570 O PRO A 99 14.945 -6.905 0.211 1.00 0.00 O ATOM 1571 CB PRO A 99 16.424 -7.397 -2.154 1.00 0.00 C ATOM 1572 CG PRO A 99 17.399 -8.497 -1.922 1.00 0.00 C ATOM 1573 CD PRO A 99 18.709 -7.823 -1.597 1.00 0.00 C ATOM 0 HA PRO A 99 16.588 -5.296 -1.464 1.00 0.00 H new ATOM 0 HB2 PRO A 99 15.400 -7.729 -1.980 1.00 0.00 H new ATOM 0 HB3 PRO A 99 16.471 -7.033 -3.180 1.00 0.00 H new ATOM 0 HG2 PRO A 99 17.076 -9.140 -1.103 1.00 0.00 H new ATOM 0 HG3 PRO A 99 17.493 -9.129 -2.805 1.00 0.00 H new ATOM 0 HD2 PRO A 99 19.288 -8.399 -0.875 1.00 0.00 H new ATOM 0 HD3 PRO A 99 19.331 -7.707 -2.484 1.00 0.00 H new ATOM 1581 N ASP A 100 16.771 -6.117 1.270 1.00 0.00 N ATOM 1582 CA ASP A 100 16.178 -6.161 2.607 1.00 0.00 C ATOM 1583 C ASP A 100 16.597 -4.919 3.401 1.00 0.00 C ATOM 1584 O ASP A 100 16.253 -4.764 4.569 1.00 0.00 O ATOM 1585 CB ASP A 100 16.619 -7.446 3.331 1.00 0.00 C ATOM 1586 CG ASP A 100 15.933 -7.650 4.678 1.00 0.00 C ATOM 1587 OD1 ASP A 100 14.743 -8.034 4.695 1.00 0.00 O ATOM 1588 OD2 ASP A 100 16.585 -7.453 5.727 1.00 0.00 O ATOM 0 H ASP A 100 17.736 -5.788 1.255 1.00 0.00 H new ATOM 0 HA ASP A 100 15.091 -6.168 2.523 1.00 0.00 H new ATOM 0 HB2 ASP A 100 16.410 -8.304 2.692 1.00 0.00 H new ATOM 0 HB3 ASP A 100 17.698 -7.417 3.482 1.00 0.00 H new ATOM 1593 N MET A 101 17.325 -4.018 2.736 1.00 0.00 N ATOM 1594 CA MET A 101 17.860 -2.814 3.381 1.00 0.00 C ATOM 1595 C MET A 101 16.755 -1.928 3.958 1.00 0.00 C ATOM 1596 O MET A 101 16.595 -1.832 5.175 1.00 0.00 O ATOM 1597 CB MET A 101 18.713 -1.994 2.391 1.00 0.00 C ATOM 1598 CG MET A 101 20.185 -2.377 2.370 1.00 0.00 C ATOM 1599 SD MET A 101 20.961 -2.168 3.984 1.00 0.00 S ATOM 1600 CE MET A 101 22.680 -2.497 3.601 1.00 0.00 C ATOM 0 H MET A 101 17.559 -4.100 1.747 1.00 0.00 H new ATOM 0 HA MET A 101 18.486 -3.154 4.206 1.00 0.00 H new ATOM 0 HB2 MET A 101 18.303 -2.116 1.388 1.00 0.00 H new ATOM 0 HB3 MET A 101 18.628 -0.937 2.644 1.00 0.00 H new ATOM 0 HG2 MET A 101 20.285 -3.415 2.051 1.00 0.00 H new ATOM 0 HG3 MET A 101 20.708 -1.766 1.634 1.00 0.00 H new ATOM 0 HE1 MET A 101 23.232 -2.667 4.525 1.00 0.00 H new ATOM 0 HE2 MET A 101 22.749 -3.382 2.969 1.00 0.00 H new ATOM 0 HE3 MET A 101 23.106 -1.642 3.076 1.00 0.00 H new ATOM 1610 N PHE A 102 15.979 -1.309 3.076 1.00 0.00 N ATOM 1611 CA PHE A 102 15.054 -0.233 3.462 1.00 0.00 C ATOM 1612 C PHE A 102 13.765 -0.757 4.109 1.00 0.00 C ATOM 1613 O PHE A 102 12.790 -0.018 4.211 1.00 0.00 O ATOM 1614 CB PHE A 102 14.691 0.609 2.230 1.00 0.00 C ATOM 1615 CG PHE A 102 15.880 1.111 1.449 1.00 0.00 C ATOM 1616 CD1 PHE A 102 16.690 2.122 1.952 1.00 0.00 C ATOM 1617 CD2 PHE A 102 16.189 0.571 0.206 1.00 0.00 C ATOM 1618 CE1 PHE A 102 17.775 2.580 1.231 1.00 0.00 C ATOM 1619 CE2 PHE A 102 17.273 1.029 -0.516 1.00 0.00 C ATOM 1620 CZ PHE A 102 18.067 2.034 -0.005 1.00 0.00 C ATOM 0 H PHE A 102 15.967 -1.531 2.080 1.00 0.00 H new ATOM 0 HA PHE A 102 15.571 0.374 4.205 1.00 0.00 H new ATOM 0 HB2 PHE A 102 14.063 0.012 1.569 1.00 0.00 H new ATOM 0 HB3 PHE A 102 14.095 1.463 2.551 1.00 0.00 H new ATOM 0 HD1 PHE A 102 16.469 2.554 2.917 1.00 0.00 H new ATOM 0 HD2 PHE A 102 15.573 -0.217 -0.200 1.00 0.00 H new ATOM 0 HE1 PHE A 102 18.397 3.366 1.633 1.00 0.00 H new ATOM 0 HE2 PHE A 102 17.499 0.600 -1.481 1.00 0.00 H new ATOM 0 HZ PHE A 102 18.915 2.394 -0.569 1.00 0.00 H new ATOM 1630 N ARG A 103 13.772 -2.004 4.575 1.00 0.00 N ATOM 1631 CA ARG A 103 12.555 -2.649 5.085 1.00 0.00 C ATOM 1632 C ARG A 103 11.883 -1.840 6.209 1.00 0.00 C ATOM 1633 O ARG A 103 10.702 -1.504 6.113 1.00 0.00 O ATOM 1634 CB ARG A 103 12.861 -4.078 5.562 1.00 0.00 C ATOM 1635 CG ARG A 103 13.982 -4.170 6.592 1.00 0.00 C ATOM 1636 CD ARG A 103 14.181 -5.597 7.078 1.00 0.00 C ATOM 1637 NE ARG A 103 13.000 -6.100 7.786 1.00 0.00 N ATOM 1638 CZ ARG A 103 12.528 -7.343 7.681 1.00 0.00 C ATOM 1639 NH1 ARG A 103 13.100 -8.214 6.859 1.00 0.00 N ATOM 1640 NH2 ARG A 103 11.469 -7.709 8.392 1.00 0.00 N ATOM 0 H ARG A 103 14.605 -2.592 4.612 1.00 0.00 H new ATOM 0 HA ARG A 103 11.848 -2.691 4.256 1.00 0.00 H new ATOM 0 HB2 ARG A 103 11.955 -4.508 5.989 1.00 0.00 H new ATOM 0 HB3 ARG A 103 13.126 -4.688 4.698 1.00 0.00 H new ATOM 0 HG2 ARG A 103 14.910 -3.802 6.154 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.751 -3.525 7.440 1.00 0.00 H new ATOM 0 HD2 ARG A 103 14.398 -6.244 6.228 1.00 0.00 H new ATOM 0 HD3 ARG A 103 15.046 -5.639 7.739 1.00 0.00 H new ATOM 0 HE ARG A 103 12.505 -5.455 8.402 1.00 0.00 H new ATOM 0 HH11 ARG A 103 13.907 -7.935 6.301 1.00 0.00 H new ATOM 0 HH12 ARG A 103 12.732 -9.163 6.785 1.00 0.00 H new ATOM 0 HH21 ARG A 103 11.018 -7.040 9.017 1.00 0.00 H new ATOM 0 HH22 ARG A 103 11.106 -8.659 8.314 1.00 0.00 H new ATOM 1654 N ALA A 104 12.630 -1.512 7.260 1.00 0.00 N ATOM 1655 CA ALA A 104 12.061 -0.806 8.409 1.00 0.00 C ATOM 1656 C ALA A 104 11.574 0.582 8.002 1.00 0.00 C ATOM 1657 O ALA A 104 10.492 1.019 8.400 1.00 0.00 O ATOM 1658 CB ALA A 104 13.084 -0.710 9.535 1.00 0.00 C ATOM 0 H ALA A 104 13.625 -1.721 7.342 1.00 0.00 H new ATOM 0 HA ALA A 104 11.204 -1.373 8.771 1.00 0.00 H new ATOM 0 HB1 ALA A 104 12.645 -0.182 10.382 1.00 0.00 H new ATOM 0 HB2 ALA A 104 13.378 -1.712 9.845 1.00 0.00 H new ATOM 0 HB3 ALA A 104 13.961 -0.166 9.184 1.00 0.00 H new ATOM 1664 N GLN A 105 12.375 1.257 7.184 1.00 0.00 N ATOM 1665 CA GLN A 105 12.039 2.592 6.692 1.00 0.00 C ATOM 1666 C GLN A 105 10.803 2.524 5.793 1.00 0.00 C ATOM 1667 O GLN A 105 9.985 3.448 5.761 1.00 0.00 O ATOM 1668 CB GLN A 105 13.228 3.198 5.926 1.00 0.00 C ATOM 1669 CG GLN A 105 14.447 3.526 6.796 1.00 0.00 C ATOM 1670 CD GLN A 105 15.042 2.312 7.493 1.00 0.00 C ATOM 1671 OE1 GLN A 105 14.685 1.995 8.625 1.00 0.00 O ATOM 1672 NE2 GLN A 105 15.945 1.615 6.820 1.00 0.00 N ATOM 0 H GLN A 105 13.268 0.900 6.845 1.00 0.00 H new ATOM 0 HA GLN A 105 11.817 3.234 7.545 1.00 0.00 H new ATOM 0 HB2 GLN A 105 13.533 2.502 5.144 1.00 0.00 H new ATOM 0 HB3 GLN A 105 12.897 4.110 5.429 1.00 0.00 H new ATOM 0 HG2 GLN A 105 15.213 3.989 6.174 1.00 0.00 H new ATOM 0 HG3 GLN A 105 14.159 4.261 7.547 1.00 0.00 H new ATOM 0 HE21 GLN A 105 16.219 1.906 5.882 1.00 0.00 H new ATOM 0 HE22 GLN A 105 16.367 0.787 7.240 1.00 0.00 H new ATOM 1681 N GLN A 106 10.674 1.410 5.081 1.00 0.00 N ATOM 1682 CA GLN A 106 9.539 1.166 4.198 1.00 0.00 C ATOM 1683 C GLN A 106 8.253 1.088 5.015 1.00 0.00 C ATOM 1684 O GLN A 106 7.238 1.701 4.673 1.00 0.00 O ATOM 1685 CB GLN A 106 9.759 -0.143 3.424 1.00 0.00 C ATOM 1686 CG GLN A 106 8.673 -0.475 2.408 1.00 0.00 C ATOM 1687 CD GLN A 106 8.931 -1.792 1.695 1.00 0.00 C ATOM 1688 OE1 GLN A 106 10.076 -2.212 1.537 1.00 0.00 O ATOM 1689 NE2 GLN A 106 7.872 -2.446 1.246 1.00 0.00 N ATOM 0 H GLN A 106 11.354 0.650 5.100 1.00 0.00 H new ATOM 0 HA GLN A 106 9.452 1.987 3.487 1.00 0.00 H new ATOM 0 HB2 GLN A 106 10.716 -0.086 2.906 1.00 0.00 H new ATOM 0 HB3 GLN A 106 9.832 -0.963 4.138 1.00 0.00 H new ATOM 0 HG2 GLN A 106 7.708 -0.521 2.913 1.00 0.00 H new ATOM 0 HG3 GLN A 106 8.610 0.327 1.673 1.00 0.00 H new ATOM 0 HE21 GLN A 106 6.937 -2.067 1.396 1.00 0.00 H new ATOM 0 HE22 GLN A 106 7.991 -3.329 0.750 1.00 0.00 H new ATOM 1698 N LEU A 107 8.314 0.338 6.112 1.00 0.00 N ATOM 1699 CA LEU A 107 7.170 0.187 7.006 1.00 0.00 C ATOM 1700 C LEU A 107 6.932 1.465 7.809 1.00 0.00 C ATOM 1701 O LEU A 107 5.805 1.732 8.234 1.00 0.00 O ATOM 1702 CB LEU A 107 7.353 -1.027 7.937 1.00 0.00 C ATOM 1703 CG LEU A 107 6.990 -2.396 7.322 1.00 0.00 C ATOM 1704 CD1 LEU A 107 5.515 -2.438 6.929 1.00 0.00 C ATOM 1705 CD2 LEU A 107 7.877 -2.717 6.119 1.00 0.00 C ATOM 0 H LEU A 107 9.146 -0.176 6.404 1.00 0.00 H new ATOM 0 HA LEU A 107 6.286 0.007 6.394 1.00 0.00 H new ATOM 0 HB2 LEU A 107 8.392 -1.059 8.264 1.00 0.00 H new ATOM 0 HB3 LEU A 107 6.743 -0.875 8.828 1.00 0.00 H new ATOM 0 HG LEU A 107 7.167 -3.158 8.081 1.00 0.00 H new ATOM 0 HD11 LEU A 107 5.281 -3.411 6.498 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.898 -2.275 7.813 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.312 -1.658 6.195 1.00 0.00 H new ATOM 0 HD21 LEU A 107 7.596 -3.687 5.709 1.00 0.00 H new ATOM 0 HD22 LEU A 107 7.748 -1.949 5.356 1.00 0.00 H new ATOM 0 HD23 LEU A 107 8.920 -2.744 6.433 1.00 0.00 H new ATOM 1717 N GLN A 108 7.986 2.260 8.011 1.00 0.00 N ATOM 1718 CA GLN A 108 7.839 3.564 8.658 1.00 0.00 C ATOM 1719 C GLN A 108 6.895 4.437 7.835 1.00 0.00 C ATOM 1720 O GLN A 108 5.965 5.046 8.369 1.00 0.00 O ATOM 1721 CB GLN A 108 9.205 4.259 8.843 1.00 0.00 C ATOM 1722 CG GLN A 108 9.108 5.643 9.486 1.00 0.00 C ATOM 1723 CD GLN A 108 8.476 5.616 10.870 1.00 0.00 C ATOM 1724 OE1 GLN A 108 8.602 4.638 11.611 1.00 0.00 O ATOM 1725 NE2 GLN A 108 7.785 6.689 11.226 1.00 0.00 N ATOM 0 H GLN A 108 8.941 2.026 7.739 1.00 0.00 H new ATOM 0 HA GLN A 108 7.416 3.413 9.651 1.00 0.00 H new ATOM 0 HB2 GLN A 108 9.844 3.626 9.458 1.00 0.00 H new ATOM 0 HB3 GLN A 108 9.690 4.353 7.871 1.00 0.00 H new ATOM 0 HG2 GLN A 108 10.106 6.074 9.558 1.00 0.00 H new ATOM 0 HG3 GLN A 108 8.524 6.297 8.839 1.00 0.00 H new ATOM 0 HE21 GLN A 108 7.703 7.479 10.586 1.00 0.00 H new ATOM 0 HE22 GLN A 108 7.335 6.725 12.141 1.00 0.00 H new ATOM 1734 N ILE A 109 7.125 4.465 6.524 1.00 0.00 N ATOM 1735 CA ILE A 109 6.248 5.178 5.598 1.00 0.00 C ATOM 1736 C ILE A 109 4.871 4.513 5.539 1.00 0.00 C ATOM 1737 O ILE A 109 3.845 5.197 5.581 1.00 0.00 O ATOM 1738 CB ILE A 109 6.874 5.262 4.172 1.00 0.00 C ATOM 1739 CG1 ILE A 109 7.732 6.533 4.029 1.00 0.00 C ATOM 1740 CG2 ILE A 109 5.802 5.216 3.082 1.00 0.00 C ATOM 1741 CD1 ILE A 109 8.880 6.614 5.010 1.00 0.00 C ATOM 0 H ILE A 109 7.915 4.000 6.077 1.00 0.00 H new ATOM 0 HA ILE A 109 6.129 6.195 5.972 1.00 0.00 H new ATOM 0 HB ILE A 109 7.515 4.390 4.044 1.00 0.00 H new ATOM 0 HG12 ILE A 109 8.130 6.578 3.015 1.00 0.00 H new ATOM 0 HG13 ILE A 109 7.093 7.407 4.160 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.276 5.277 2.102 1.00 0.00 H new ATOM 0 HG22 ILE A 109 5.245 4.282 3.158 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.119 6.056 3.207 1.00 0.00 H new ATOM 0 HD11 ILE A 109 9.435 7.537 4.845 1.00 0.00 H new ATOM 0 HD12 ILE A 109 8.490 6.602 6.028 1.00 0.00 H new ATOM 0 HD13 ILE A 109 9.543 5.761 4.865 1.00 0.00 H new ATOM 1753 N PHE A 110 4.859 3.181 5.463 1.00 0.00 N ATOM 1754 CA PHE A 110 3.611 2.419 5.388 1.00 0.00 C ATOM 1755 C PHE A 110 2.658 2.836 6.511 1.00 0.00 C ATOM 1756 O PHE A 110 1.499 3.171 6.262 1.00 0.00 O ATOM 1757 CB PHE A 110 3.891 0.905 5.456 1.00 0.00 C ATOM 1758 CG PHE A 110 2.652 0.039 5.340 1.00 0.00 C ATOM 1759 CD1 PHE A 110 1.869 -0.248 6.454 1.00 0.00 C ATOM 1760 CD2 PHE A 110 2.269 -0.482 4.114 1.00 0.00 C ATOM 1761 CE1 PHE A 110 0.732 -1.029 6.340 1.00 0.00 C ATOM 1762 CE2 PHE A 110 1.135 -1.266 3.998 1.00 0.00 C ATOM 1763 CZ PHE A 110 0.366 -1.539 5.110 1.00 0.00 C ATOM 0 H PHE A 110 5.702 2.606 5.452 1.00 0.00 H new ATOM 0 HA PHE A 110 3.136 2.638 4.432 1.00 0.00 H new ATOM 0 HB2 PHE A 110 4.583 0.638 4.657 1.00 0.00 H new ATOM 0 HB3 PHE A 110 4.390 0.681 6.399 1.00 0.00 H new ATOM 0 HD1 PHE A 110 2.152 0.144 7.420 1.00 0.00 H new ATOM 0 HD2 PHE A 110 2.864 -0.273 3.237 1.00 0.00 H new ATOM 0 HE1 PHE A 110 0.131 -1.239 7.213 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.851 -1.665 3.035 1.00 0.00 H new ATOM 0 HZ PHE A 110 -0.520 -2.150 5.019 1.00 0.00 H new ATOM 1773 N ASN A 111 3.166 2.840 7.740 1.00 0.00 N ATOM 1774 CA ASN A 111 2.346 3.168 8.906 1.00 0.00 C ATOM 1775 C ASN A 111 2.079 4.669 8.991 1.00 0.00 C ATOM 1776 O ASN A 111 1.095 5.096 9.599 1.00 0.00 O ATOM 1777 CB ASN A 111 2.999 2.663 10.202 1.00 0.00 C ATOM 1778 CG ASN A 111 2.923 1.149 10.338 1.00 0.00 C ATOM 1779 OD1 ASN A 111 1.938 0.609 10.838 1.00 0.00 O ATOM 1780 ND2 ASN A 111 3.967 0.452 9.910 1.00 0.00 N ATOM 0 H ASN A 111 4.138 2.621 7.956 1.00 0.00 H new ATOM 0 HA ASN A 111 1.389 2.660 8.786 1.00 0.00 H new ATOM 0 HB2 ASN A 111 4.043 2.975 10.225 1.00 0.00 H new ATOM 0 HB3 ASN A 111 2.508 3.127 11.058 1.00 0.00 H new ATOM 0 HD21 ASN A 111 3.969 -0.565 9.991 1.00 0.00 H new ATOM 0 HD22 ASN A 111 4.768 0.933 9.500 1.00 0.00 H new ATOM 1787 N LEU A 112 2.945 5.467 8.373 1.00 0.00 N ATOM 1788 CA LEU A 112 2.772 6.919 8.353 1.00 0.00 C ATOM 1789 C LEU A 112 1.498 7.272 7.578 1.00 0.00 C ATOM 1790 O LEU A 112 0.643 8.005 8.068 1.00 0.00 O ATOM 1791 CB LEU A 112 4.015 7.589 7.727 1.00 0.00 C ATOM 1792 CG LEU A 112 4.154 9.117 7.922 1.00 0.00 C ATOM 1793 CD1 LEU A 112 5.581 9.563 7.601 1.00 0.00 C ATOM 1794 CD2 LEU A 112 3.155 9.894 7.060 1.00 0.00 C ATOM 0 H LEU A 112 3.773 5.135 7.879 1.00 0.00 H new ATOM 0 HA LEU A 112 2.668 7.292 9.372 1.00 0.00 H new ATOM 0 HB2 LEU A 112 4.903 7.111 8.140 1.00 0.00 H new ATOM 0 HB3 LEU A 112 4.010 7.382 6.657 1.00 0.00 H new ATOM 0 HG LEU A 112 3.932 9.336 8.966 1.00 0.00 H new ATOM 0 HD11 LEU A 112 5.666 10.640 7.742 1.00 0.00 H new ATOM 0 HD12 LEU A 112 6.279 9.054 8.265 1.00 0.00 H new ATOM 0 HD13 LEU A 112 5.816 9.313 6.567 1.00 0.00 H new ATOM 0 HD21 LEU A 112 3.285 10.963 7.226 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.328 9.667 6.008 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.139 9.606 7.331 1.00 0.00 H new ATOM 1806 N MET A 113 1.368 6.716 6.377 1.00 0.00 N ATOM 1807 CA MET A 113 0.220 6.997 5.511 1.00 0.00 C ATOM 1808 C MET A 113 -0.990 6.133 5.885 1.00 0.00 C ATOM 1809 O MET A 113 -2.128 6.449 5.518 1.00 0.00 O ATOM 1810 CB MET A 113 0.605 6.775 4.040 1.00 0.00 C ATOM 1811 CG MET A 113 1.171 5.392 3.741 1.00 0.00 C ATOM 1812 SD MET A 113 1.601 5.182 2.002 1.00 0.00 S ATOM 1813 CE MET A 113 2.396 3.576 2.024 1.00 0.00 C ATOM 0 H MET A 113 2.044 6.066 5.977 1.00 0.00 H new ATOM 0 HA MET A 113 -0.064 8.040 5.653 1.00 0.00 H new ATOM 0 HB2 MET A 113 -0.275 6.937 3.418 1.00 0.00 H new ATOM 0 HB3 MET A 113 1.341 7.526 3.752 1.00 0.00 H new ATOM 0 HG2 MET A 113 2.057 5.226 4.354 1.00 0.00 H new ATOM 0 HG3 MET A 113 0.440 4.635 4.025 1.00 0.00 H new ATOM 0 HE1 MET A 113 2.475 3.195 1.006 1.00 0.00 H new ATOM 0 HE2 MET A 113 3.393 3.669 2.455 1.00 0.00 H new ATOM 0 HE3 MET A 113 1.804 2.885 2.625 1.00 0.00 H new ATOM 1823 N LYS A 114 -0.733 5.063 6.636 1.00 0.00 N ATOM 1824 CA LYS A 114 -1.757 4.080 7.008 1.00 0.00 C ATOM 1825 C LYS A 114 -2.970 4.720 7.697 1.00 0.00 C ATOM 1826 O LYS A 114 -4.103 4.300 7.475 1.00 0.00 O ATOM 1827 CB LYS A 114 -1.138 3.013 7.927 1.00 0.00 C ATOM 1828 CG LYS A 114 -2.116 1.945 8.408 1.00 0.00 C ATOM 1829 CD LYS A 114 -1.422 0.897 9.275 1.00 0.00 C ATOM 1830 CE LYS A 114 -2.406 -0.120 9.843 1.00 0.00 C ATOM 1831 NZ LYS A 114 -3.396 0.511 10.756 1.00 0.00 N ATOM 0 H LYS A 114 0.193 4.850 7.006 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.117 3.623 6.086 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -0.320 2.526 7.397 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -0.704 3.508 8.796 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -2.918 2.415 8.977 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.577 1.459 7.548 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -0.667 0.379 8.683 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -0.900 1.392 10.094 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -2.931 -0.613 9.024 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -1.858 -0.893 10.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -3.900 -0.228 11.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -2.903 1.140 11.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -4.079 1.064 10.199 1.00 0.00 H new ATOM 1845 N PHE A 115 -2.736 5.734 8.526 1.00 0.00 N ATOM 1846 CA PHE A 115 -3.811 6.333 9.325 1.00 0.00 C ATOM 1847 C PHE A 115 -4.028 7.801 8.947 1.00 0.00 C ATOM 1848 O PHE A 115 -4.710 8.544 9.653 1.00 0.00 O ATOM 1849 CB PHE A 115 -3.470 6.198 10.822 1.00 0.00 C ATOM 1850 CG PHE A 115 -4.585 6.597 11.762 1.00 0.00 C ATOM 1851 CD1 PHE A 115 -5.736 5.827 11.858 1.00 0.00 C ATOM 1852 CD2 PHE A 115 -4.479 7.737 12.550 1.00 0.00 C ATOM 1853 CE1 PHE A 115 -6.756 6.185 12.720 1.00 0.00 C ATOM 1854 CE2 PHE A 115 -5.497 8.097 13.412 1.00 0.00 C ATOM 1855 CZ PHE A 115 -6.636 7.320 13.497 1.00 0.00 C ATOM 0 H PHE A 115 -1.819 6.159 8.664 1.00 0.00 H new ATOM 0 HA PHE A 115 -4.741 5.803 9.119 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -3.194 5.163 11.026 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -2.594 6.810 11.038 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -5.836 4.938 11.253 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -3.591 8.348 12.488 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -7.646 5.577 12.786 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -5.402 8.985 14.019 1.00 0.00 H new ATOM 0 HZ PHE A 115 -7.432 7.600 14.171 1.00 0.00 H new ATOM 1865 N ASP A 116 -3.489 8.209 7.802 1.00 0.00 N ATOM 1866 CA ASP A 116 -3.523 9.620 7.407 1.00 0.00 C ATOM 1867 C ASP A 116 -4.063 9.772 5.991 1.00 0.00 C ATOM 1868 O ASP A 116 -5.254 10.029 5.800 1.00 0.00 O ATOM 1869 CB ASP A 116 -2.128 10.259 7.529 1.00 0.00 C ATOM 1870 CG ASP A 116 -1.698 10.466 8.977 1.00 0.00 C ATOM 1871 OD1 ASP A 116 -1.214 9.504 9.608 1.00 0.00 O ATOM 1872 OD2 ASP A 116 -1.851 11.594 9.493 1.00 0.00 O ATOM 0 H ASP A 116 -3.027 7.592 7.134 1.00 0.00 H new ATOM 0 HA ASP A 116 -4.195 10.144 8.086 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -1.398 9.626 7.025 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -2.127 11.219 7.014 1.00 0.00 H new ATOM 1877 N SER A 117 -3.200 9.583 4.999 1.00 0.00 N ATOM 1878 CA SER A 117 -3.604 9.717 3.606 1.00 0.00 C ATOM 1879 C SER A 117 -4.631 8.643 3.250 1.00 0.00 C ATOM 1880 O SER A 117 -5.583 8.903 2.512 1.00 0.00 O ATOM 1881 CB SER A 117 -2.378 9.642 2.695 1.00 0.00 C ATOM 1882 OG SER A 117 -1.568 8.530 3.028 1.00 0.00 O ATOM 0 H SER A 117 -2.219 9.337 5.134 1.00 0.00 H new ATOM 0 HA SER A 117 -4.073 10.690 3.459 1.00 0.00 H new ATOM 0 HB2 SER A 117 -2.697 9.566 1.655 1.00 0.00 H new ATOM 0 HB3 SER A 117 -1.797 10.560 2.784 1.00 0.00 H new ATOM 0 HG SER A 117 -0.825 8.464 2.392 1.00 0.00 H new ATOM 1888 N TYR A 118 -4.437 7.440 3.795 1.00 0.00 N ATOM 1889 CA TYR A 118 -5.419 6.362 3.656 1.00 0.00 C ATOM 1890 C TYR A 118 -6.775 6.801 4.204 1.00 0.00 C ATOM 1891 O TYR A 118 -7.798 6.702 3.518 1.00 0.00 O ATOM 1892 CB TYR A 118 -4.940 5.102 4.393 1.00 0.00 C ATOM 1893 CG TYR A 118 -6.005 4.022 4.536 1.00 0.00 C ATOM 1894 CD1 TYR A 118 -6.556 3.402 3.421 1.00 0.00 C ATOM 1895 CD2 TYR A 118 -6.457 3.624 5.793 1.00 0.00 C ATOM 1896 CE1 TYR A 118 -7.521 2.421 3.550 1.00 0.00 C ATOM 1897 CE2 TYR A 118 -7.420 2.643 5.929 1.00 0.00 C ATOM 1898 CZ TYR A 118 -7.948 2.045 4.806 1.00 0.00 C ATOM 1899 OH TYR A 118 -8.908 1.067 4.941 1.00 0.00 O ATOM 0 H TYR A 118 -3.610 7.188 4.336 1.00 0.00 H new ATOM 0 HA TYR A 118 -5.526 6.131 2.596 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -4.085 4.686 3.860 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -4.590 5.386 5.386 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -6.224 3.692 2.435 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -6.047 4.091 6.676 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -7.938 1.951 2.672 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -7.757 2.346 6.911 1.00 0.00 H new ATOM 0 HH TYR A 118 -9.016 0.595 4.089 1.00 0.00 H new ATOM 1909 N ALA A 119 -6.766 7.306 5.437 1.00 0.00 N ATOM 1910 CA ALA A 119 -7.994 7.735 6.108 1.00 0.00 C ATOM 1911 C ALA A 119 -8.697 8.835 5.314 1.00 0.00 C ATOM 1912 O ALA A 119 -9.921 8.959 5.350 1.00 0.00 O ATOM 1913 CB ALA A 119 -7.683 8.213 7.523 1.00 0.00 C ATOM 0 H ALA A 119 -5.920 7.429 5.993 1.00 0.00 H new ATOM 0 HA ALA A 119 -8.667 6.880 6.166 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -8.605 8.529 8.011 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -7.232 7.399 8.091 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -6.989 9.053 7.479 1.00 0.00 H new ATOM 1919 N ARG A 120 -7.910 9.622 4.592 1.00 0.00 N ATOM 1920 CA ARG A 120 -8.435 10.717 3.784 1.00 0.00 C ATOM 1921 C ARG A 120 -8.986 10.202 2.452 1.00 0.00 C ATOM 1922 O ARG A 120 -10.031 10.662 1.980 1.00 0.00 O ATOM 1923 CB ARG A 120 -7.330 11.750 3.531 1.00 0.00 C ATOM 1924 CG ARG A 120 -7.793 12.995 2.778 1.00 0.00 C ATOM 1925 CD ARG A 120 -6.633 13.946 2.513 1.00 0.00 C ATOM 1926 NE ARG A 120 -7.066 15.189 1.875 1.00 0.00 N ATOM 1927 CZ ARG A 120 -6.233 16.153 1.485 1.00 0.00 C ATOM 1928 NH1 ARG A 120 -4.919 15.990 1.606 1.00 0.00 N ATOM 1929 NH2 ARG A 120 -6.710 17.271 0.961 1.00 0.00 N ATOM 0 H ARG A 120 -6.896 9.521 4.549 1.00 0.00 H new ATOM 0 HA ARG A 120 -9.253 11.187 4.330 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -6.908 12.055 4.489 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -6.528 11.275 2.966 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -8.249 12.702 1.832 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -8.561 13.508 3.357 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -6.135 14.178 3.454 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -5.899 13.451 1.877 1.00 0.00 H new ATOM 0 HE ARG A 120 -8.065 15.326 1.719 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -4.546 15.125 1.998 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -4.284 16.730 1.307 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -7.717 17.396 0.855 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -6.071 18.008 0.663 1.00 0.00 H new ATOM 1943 N PHE A 121 -8.287 9.235 1.856 1.00 0.00 N ATOM 1944 CA PHE A 121 -8.648 8.718 0.535 1.00 0.00 C ATOM 1945 C PHE A 121 -10.056 8.129 0.533 1.00 0.00 C ATOM 1946 O PHE A 121 -10.855 8.419 -0.357 1.00 0.00 O ATOM 1947 CB PHE A 121 -7.640 7.658 0.067 1.00 0.00 C ATOM 1948 CG PHE A 121 -8.027 7.005 -1.239 1.00 0.00 C ATOM 1949 CD1 PHE A 121 -8.061 7.741 -2.415 1.00 0.00 C ATOM 1950 CD2 PHE A 121 -8.377 5.661 -1.287 1.00 0.00 C ATOM 1951 CE1 PHE A 121 -8.431 7.151 -3.608 1.00 0.00 C ATOM 1952 CE2 PHE A 121 -8.750 5.069 -2.478 1.00 0.00 C ATOM 1953 CZ PHE A 121 -8.776 5.814 -3.640 1.00 0.00 C ATOM 0 H PHE A 121 -7.465 8.793 2.268 1.00 0.00 H new ATOM 0 HA PHE A 121 -8.625 9.559 -0.159 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -6.660 8.121 -0.042 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -7.546 6.891 0.836 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.795 8.788 -2.397 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -8.357 5.072 -0.382 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.451 7.735 -4.516 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -9.021 4.024 -2.500 1.00 0.00 H new ATOM 0 HZ PHE A 121 -9.066 5.352 -4.572 1.00 0.00 H new ATOM 1963 N VAL A 122 -10.357 7.317 1.541 1.00 0.00 N ATOM 1964 CA VAL A 122 -11.658 6.649 1.628 1.00 0.00 C ATOM 1965 C VAL A 122 -12.802 7.665 1.751 1.00 0.00 C ATOM 1966 O VAL A 122 -13.973 7.332 1.548 1.00 0.00 O ATOM 1967 CB VAL A 122 -11.709 5.654 2.818 1.00 0.00 C ATOM 1968 CG1 VAL A 122 -10.631 4.580 2.669 1.00 0.00 C ATOM 1969 CG2 VAL A 122 -11.566 6.380 4.155 1.00 0.00 C ATOM 0 H VAL A 122 -9.721 7.104 2.310 1.00 0.00 H new ATOM 0 HA VAL A 122 -11.787 6.088 0.702 1.00 0.00 H new ATOM 0 HB VAL A 122 -12.685 5.168 2.805 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -10.683 3.892 3.513 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -10.792 4.030 1.742 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -9.649 5.051 2.646 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -11.606 5.656 4.968 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -10.611 6.906 4.183 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -12.379 7.097 4.268 1.00 0.00 H new ATOM 1979 N LYS A 123 -12.450 8.909 2.073 1.00 0.00 N ATOM 1980 CA LYS A 123 -13.424 9.990 2.219 1.00 0.00 C ATOM 1981 C LYS A 123 -13.467 10.838 0.948 1.00 0.00 C ATOM 1982 O LYS A 123 -14.453 11.526 0.674 1.00 0.00 O ATOM 1983 CB LYS A 123 -13.054 10.877 3.419 1.00 0.00 C ATOM 1984 CG LYS A 123 -12.929 10.117 4.738 1.00 0.00 C ATOM 1985 CD LYS A 123 -12.507 11.037 5.882 1.00 0.00 C ATOM 1986 CE LYS A 123 -12.327 10.276 7.193 1.00 0.00 C ATOM 1987 NZ LYS A 123 -13.582 9.600 7.626 1.00 0.00 N ATOM 0 H LYS A 123 -11.485 9.195 2.240 1.00 0.00 H new ATOM 0 HA LYS A 123 -14.407 9.551 2.388 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -12.109 11.378 3.209 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -13.810 11.655 3.530 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -13.883 9.649 4.980 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -12.199 9.315 4.628 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -11.573 11.535 5.621 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -13.257 11.816 6.016 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -11.538 9.533 7.075 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -12.001 10.967 7.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -13.455 9.211 8.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -14.362 10.288 7.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -13.807 8.829 6.965 1.00 0.00 H new ATOM 2001 N SER A 124 -12.386 10.772 0.176 1.00 0.00 N ATOM 2002 CA SER A 124 -12.236 11.569 -1.039 1.00 0.00 C ATOM 2003 C SER A 124 -12.952 10.911 -2.228 1.00 0.00 C ATOM 2004 O SER A 124 -13.285 9.723 -2.177 1.00 0.00 O ATOM 2005 CB SER A 124 -10.742 11.757 -1.343 1.00 0.00 C ATOM 2006 OG SER A 124 -10.083 12.409 -0.266 1.00 0.00 O ATOM 0 H SER A 124 -11.590 10.166 0.374 1.00 0.00 H new ATOM 0 HA SER A 124 -12.698 12.543 -0.879 1.00 0.00 H new ATOM 0 HB2 SER A 124 -10.279 10.787 -1.524 1.00 0.00 H new ATOM 0 HB3 SER A 124 -10.623 12.342 -2.255 1.00 0.00 H new ATOM 0 HG SER A 124 -10.062 11.814 0.513 1.00 0.00 H new ATOM 2012 N PRO A 125 -13.230 11.692 -3.300 1.00 0.00 N ATOM 2013 CA PRO A 125 -13.835 11.169 -4.539 1.00 0.00 C ATOM 2014 C PRO A 125 -13.000 10.057 -5.182 1.00 0.00 C ATOM 2015 O PRO A 125 -12.033 9.571 -4.593 1.00 0.00 O ATOM 2016 CB PRO A 125 -13.900 12.403 -5.458 1.00 0.00 C ATOM 2017 CG PRO A 125 -13.883 13.568 -4.529 1.00 0.00 C ATOM 2018 CD PRO A 125 -13.010 13.152 -3.379 1.00 0.00 C ATOM 0 HA PRO A 125 -14.806 10.711 -4.351 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -13.053 12.431 -6.144 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -14.804 12.396 -6.067 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -13.487 14.456 -5.021 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -14.889 13.814 -4.189 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -11.962 13.392 -3.561 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -13.296 13.653 -2.454 1.00 0.00 H new ATOM 2026 N LEU A 126 -13.387 9.669 -6.397 1.00 0.00 N ATOM 2027 CA LEU A 126 -12.764 8.563 -7.135 1.00 0.00 C ATOM 2028 C LEU A 126 -13.101 7.213 -6.502 1.00 0.00 C ATOM 2029 O LEU A 126 -13.527 6.292 -7.203 1.00 0.00 O ATOM 2030 CB LEU A 126 -11.242 8.742 -7.274 1.00 0.00 C ATOM 2031 CG LEU A 126 -10.805 9.926 -8.153 1.00 0.00 C ATOM 2032 CD1 LEU A 126 -9.282 10.011 -8.236 1.00 0.00 C ATOM 2033 CD2 LEU A 126 -11.415 9.816 -9.550 1.00 0.00 C ATOM 0 H LEU A 126 -14.150 10.117 -6.905 1.00 0.00 H new ATOM 0 HA LEU A 126 -13.183 8.580 -8.141 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -10.814 8.869 -6.280 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -10.820 7.826 -7.688 1.00 0.00 H new ATOM 0 HG LEU A 126 -11.171 10.843 -7.690 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -8.998 10.856 -8.863 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -8.870 10.147 -7.236 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -8.889 9.091 -8.668 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -11.093 10.663 -10.155 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -11.085 8.889 -10.019 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -12.502 9.817 -9.473 1.00 0.00 H new ATOM 2045 N TYR A 127 -12.917 7.088 -5.185 1.00 0.00 N ATOM 2046 CA TYR A 127 -13.293 5.869 -4.481 1.00 0.00 C ATOM 2047 C TYR A 127 -14.788 5.623 -4.679 1.00 0.00 C ATOM 2048 O TYR A 127 -15.195 4.611 -5.259 1.00 0.00 O ATOM 2049 CB TYR A 127 -12.959 5.983 -2.979 1.00 0.00 C ATOM 2050 CG TYR A 127 -12.990 4.662 -2.212 1.00 0.00 C ATOM 2051 CD1 TYR A 127 -13.876 3.639 -2.549 1.00 0.00 C ATOM 2052 CD2 TYR A 127 -12.123 4.440 -1.146 1.00 0.00 C ATOM 2053 CE1 TYR A 127 -13.892 2.447 -1.858 1.00 0.00 C ATOM 2054 CE2 TYR A 127 -12.137 3.246 -0.449 1.00 0.00 C ATOM 2055 CZ TYR A 127 -13.022 2.253 -0.809 1.00 0.00 C ATOM 2056 OH TYR A 127 -13.032 1.058 -0.128 1.00 0.00 O ATOM 0 H TYR A 127 -12.513 7.813 -4.592 1.00 0.00 H new ATOM 0 HA TYR A 127 -12.728 5.029 -4.885 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -11.968 6.424 -2.874 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -13.665 6.672 -2.516 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -14.564 3.784 -3.369 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -11.427 5.214 -0.858 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -14.585 1.667 -2.138 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -11.456 3.092 0.375 1.00 0.00 H new ATOM 0 HH TYR A 127 -12.892 0.321 -0.759 1.00 0.00 H new ATOM 2066 N ARG A 128 -15.595 6.569 -4.207 1.00 0.00 N ATOM 2067 CA ARG A 128 -17.046 6.477 -4.318 1.00 0.00 C ATOM 2068 C ARG A 128 -17.474 6.248 -5.772 1.00 0.00 C ATOM 2069 O ARG A 128 -18.329 5.409 -6.031 1.00 0.00 O ATOM 2070 CB ARG A 128 -17.715 7.739 -3.753 1.00 0.00 C ATOM 2071 CG ARG A 128 -17.291 9.013 -4.465 1.00 0.00 C ATOM 2072 CD ARG A 128 -18.029 10.244 -3.962 1.00 0.00 C ATOM 2073 NE ARG A 128 -17.720 11.414 -4.788 1.00 0.00 N ATOM 2074 CZ ARG A 128 -18.206 12.635 -4.580 1.00 0.00 C ATOM 2075 NH1 ARG A 128 -19.009 12.870 -3.551 1.00 0.00 N ATOM 2076 NH2 ARG A 128 -17.887 13.623 -5.405 1.00 0.00 N ATOM 0 H ARG A 128 -15.264 7.414 -3.741 1.00 0.00 H new ATOM 0 HA ARG A 128 -17.373 5.620 -3.730 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -18.797 7.632 -3.827 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -17.475 7.826 -2.693 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -16.219 9.158 -4.332 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -17.467 8.902 -5.535 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -19.103 10.059 -3.974 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -17.751 10.441 -2.927 1.00 0.00 H new ATOM 0 HE ARG A 128 -17.088 11.283 -5.578 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -19.257 12.113 -2.914 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -19.379 13.808 -3.396 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -17.270 13.446 -6.198 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -18.259 14.560 -5.247 1.00 0.00 H new ATOM 2090 N GLU A 129 -16.853 6.963 -6.721 1.00 0.00 N ATOM 2091 CA GLU A 129 -17.221 6.835 -8.139 1.00 0.00 C ATOM 2092 C GLU A 129 -17.039 5.399 -8.645 1.00 0.00 C ATOM 2093 O GLU A 129 -17.711 4.975 -9.585 1.00 0.00 O ATOM 2094 CB GLU A 129 -16.416 7.809 -9.025 1.00 0.00 C ATOM 2095 CG GLU A 129 -16.891 9.267 -8.960 1.00 0.00 C ATOM 2096 CD GLU A 129 -15.972 10.169 -8.151 1.00 0.00 C ATOM 2097 OE1 GLU A 129 -16.129 10.241 -6.920 1.00 0.00 O ATOM 2098 OE2 GLU A 129 -15.085 10.818 -8.745 1.00 0.00 O ATOM 0 H GLU A 129 -16.102 7.628 -6.536 1.00 0.00 H new ATOM 0 HA GLU A 129 -18.277 7.094 -8.210 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -15.368 7.768 -8.729 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -16.469 7.468 -10.059 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -16.972 9.660 -9.974 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -17.890 9.296 -8.526 1.00 0.00 H new ATOM 2105 N CYS A 130 -16.128 4.654 -8.025 1.00 0.00 N ATOM 2106 CA CYS A 130 -15.867 3.270 -8.422 1.00 0.00 C ATOM 2107 C CYS A 130 -16.624 2.285 -7.527 1.00 0.00 C ATOM 2108 O CYS A 130 -16.720 1.094 -7.835 1.00 0.00 O ATOM 2109 CB CYS A 130 -14.361 2.984 -8.369 1.00 0.00 C ATOM 2110 SG CYS A 130 -13.370 4.077 -9.417 1.00 0.00 S ATOM 0 H CYS A 130 -15.558 4.983 -7.246 1.00 0.00 H new ATOM 0 HA CYS A 130 -16.222 3.137 -9.444 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -14.019 3.077 -7.338 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -14.186 1.951 -8.670 1.00 0.00 H new ATOM 0 HG CYS A 130 -13.189 5.213 -8.811 1.00 0.00 H new