USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 842 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 NoAdj-H: A 29 HIS HD1 : A 29 HIS ND1 : A 123 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.0996 (180deg=0) USER MOD Single : A 2 SER OG : rot 73:sc= 0.113 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -174:sc= 0 (180deg=-0.0688) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot -53:sc= -0.511 USER MOD Single : A 30 SER OG : rot 180:sc= 0.137 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot -125:sc= -0.661 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.106 K(o=-0.11,f=-2.9!) USER MOD Single : A 41 GLN : amide:sc= 0.609! C(o=0.61!,f=-6.1!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.12 USER MOD Single : A 48 SER OG : rot -162:sc= 1.26 USER MOD Single : A 49 SER OG : rot 180:sc= -1.04 USER MOD Single : A 50 TYR OH : rot 27:sc= 0.88 USER MOD Single : A 51 THR OG1 : rot 120:sc= -0.0931 USER MOD Single : A 52 LYS NZ :NH3+ -174:sc= 2.47 (180deg=2.28) USER MOD Single : A 53 SER OG : rot 131:sc= 0.102 USER MOD Single : A 55 MET CE :methyl 166:sc= -0.0106 (180deg=-0.489) USER MOD Single : A 60 ASN : amide:sc= -0.0668 X(o=-0.067,f=0) USER MOD Single : A 62 TYR OH : rot 100:sc= 1.25 USER MOD Single : A 68 ASN : amide:sc= -0.249 K(o=-0.25,f=-0.99) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 81:sc= 0.177 USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 MET CE :methyl 179:sc= -1.12 (180deg=-1.15) USER MOD Single : A 80 SER OG : rot 111:sc= 1.32 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.124 USER MOD Single : A 93 MET CE :methyl 164:sc= -0.312 (180deg=-1.03) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= -2.01! X(o=-2!,f=-2.1) USER MOD Single : A 111 THR OG1 : rot -75:sc= 0.905 USER MOD Single : A 112 GLN : amide:sc= -0.292 K(o=-0.29,f=-3.8!) USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.075 -8.751 -15.057 1.00 0.00 N ATOM 2 CA GLY A 1 -13.193 -8.055 -14.379 1.00 0.00 C ATOM 3 C GLY A 1 -12.996 -8.004 -12.879 1.00 0.00 C ATOM 4 O GLY A 1 -12.084 -8.643 -12.349 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.565 -8.079 -15.665 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.423 -9.137 -14.344 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.451 -9.527 -15.638 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.280 -7.041 -14.769 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.129 -8.565 -14.606 1.00 0.00 H new ATOM 10 N SER A 2 -13.846 -7.259 -12.190 1.00 0.00 N ATOM 11 CA SER A 2 -13.759 -7.145 -10.742 1.00 0.00 C ATOM 12 C SER A 2 -14.219 -8.439 -10.076 1.00 0.00 C ATOM 13 O SER A 2 -15.069 -9.158 -10.611 1.00 0.00 O ATOM 14 CB SER A 2 -14.608 -5.966 -10.263 1.00 0.00 C ATOM 15 OG SER A 2 -15.325 -5.389 -11.344 1.00 0.00 O ATOM 0 H SER A 2 -14.605 -6.723 -12.611 1.00 0.00 H new ATOM 0 HA SER A 2 -12.720 -6.969 -10.463 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.306 -6.302 -9.496 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.967 -5.214 -9.803 1.00 0.00 H new ATOM 0 HG SER A 2 -16.055 -5.987 -11.608 1.00 0.00 H new ATOM 21 N LEU A 3 -13.628 -8.753 -8.935 1.00 0.00 N ATOM 22 CA LEU A 3 -13.964 -9.970 -8.214 1.00 0.00 C ATOM 23 C LEU A 3 -14.200 -9.676 -6.739 1.00 0.00 C ATOM 24 O LEU A 3 -15.279 -9.942 -6.210 1.00 0.00 O ATOM 25 CB LEU A 3 -12.851 -11.004 -8.368 1.00 0.00 C ATOM 26 CG LEU A 3 -13.328 -12.454 -8.483 1.00 0.00 C ATOM 27 CD1 LEU A 3 -13.152 -12.963 -9.905 1.00 0.00 C ATOM 28 CD2 LEU A 3 -12.582 -13.344 -7.499 1.00 0.00 C ATOM 0 H LEU A 3 -12.912 -8.181 -8.487 1.00 0.00 H new ATOM 0 HA LEU A 3 -14.883 -10.373 -8.639 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -12.267 -10.758 -9.255 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -12.180 -10.924 -7.512 1.00 0.00 H new ATOM 0 HG LEU A 3 -14.389 -12.486 -8.236 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -13.496 -13.995 -9.967 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -13.735 -12.344 -10.588 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -12.099 -12.915 -10.181 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -12.936 -14.370 -7.597 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -11.514 -13.306 -7.712 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -12.762 -12.993 -6.483 1.00 0.00 H new ATOM 40 N SER A 4 -13.200 -9.106 -6.087 1.00 0.00 N ATOM 41 CA SER A 4 -13.302 -8.767 -4.676 1.00 0.00 C ATOM 42 C SER A 4 -13.009 -7.288 -4.458 1.00 0.00 C ATOM 43 O SER A 4 -12.567 -6.591 -5.377 1.00 0.00 O ATOM 44 CB SER A 4 -12.336 -9.630 -3.859 1.00 0.00 C ATOM 45 OG SER A 4 -11.868 -10.732 -4.626 1.00 0.00 O ATOM 0 H SER A 4 -12.305 -8.867 -6.514 1.00 0.00 H new ATOM 0 HA SER A 4 -14.320 -8.966 -4.342 1.00 0.00 H new ATOM 0 HB2 SER A 4 -11.491 -9.025 -3.530 1.00 0.00 H new ATOM 0 HB3 SER A 4 -12.836 -9.993 -2.961 1.00 0.00 H new ATOM 0 HG SER A 4 -11.251 -11.268 -4.085 1.00 0.00 H new ATOM 51 N TRP A 5 -13.245 -6.812 -3.243 1.00 0.00 N ATOM 52 CA TRP A 5 -12.999 -5.418 -2.911 1.00 0.00 C ATOM 53 C TRP A 5 -11.504 -5.152 -2.803 1.00 0.00 C ATOM 54 O TRP A 5 -10.706 -6.085 -2.698 1.00 0.00 O ATOM 55 CB TRP A 5 -13.697 -5.046 -1.602 1.00 0.00 C ATOM 56 CG TRP A 5 -14.534 -3.809 -1.719 1.00 0.00 C ATOM 57 CD1 TRP A 5 -15.171 -3.359 -2.839 1.00 0.00 C ATOM 58 CD2 TRP A 5 -14.821 -2.859 -0.684 1.00 0.00 C ATOM 59 NE1 TRP A 5 -15.837 -2.191 -2.565 1.00 0.00 N ATOM 60 CE2 TRP A 5 -15.639 -1.864 -1.248 1.00 0.00 C ATOM 61 CE3 TRP A 5 -14.467 -2.755 0.662 1.00 0.00 C ATOM 62 CZ2 TRP A 5 -16.108 -0.778 -0.510 1.00 0.00 C ATOM 63 CZ3 TRP A 5 -14.933 -1.678 1.394 1.00 0.00 C ATOM 64 CH2 TRP A 5 -15.746 -0.704 0.808 1.00 0.00 C ATOM 0 H TRP A 5 -13.607 -7.372 -2.471 1.00 0.00 H new ATOM 0 HA TRP A 5 -13.407 -4.799 -3.710 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -14.327 -5.876 -1.283 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -12.947 -4.899 -0.825 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -15.153 -3.850 -3.801 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -16.390 -1.653 -3.233 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -13.840 -3.503 1.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -16.734 -0.023 -0.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -14.664 -1.588 2.436 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -16.096 0.124 1.407 1.00 0.00 H new ATOM 75 N LYS A 6 -11.134 -3.881 -2.876 1.00 0.00 N ATOM 76 CA LYS A 6 -9.732 -3.487 -2.822 1.00 0.00 C ATOM 77 C LYS A 6 -9.114 -3.906 -1.505 1.00 0.00 C ATOM 78 O LYS A 6 -8.120 -4.633 -1.469 1.00 0.00 O ATOM 79 CB LYS A 6 -9.594 -1.974 -3.012 1.00 0.00 C ATOM 80 CG LYS A 6 -9.350 -1.555 -4.453 1.00 0.00 C ATOM 81 CD LYS A 6 -10.622 -1.629 -5.288 1.00 0.00 C ATOM 82 CE LYS A 6 -11.616 -0.545 -4.900 1.00 0.00 C ATOM 83 NZ LYS A 6 -12.457 -0.127 -6.052 1.00 0.00 N ATOM 0 H LYS A 6 -11.786 -3.103 -2.973 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.203 -3.990 -3.631 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.500 -1.488 -2.651 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.771 -1.613 -2.395 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.960 -0.537 -4.474 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.588 -2.198 -4.894 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.370 -1.530 -6.344 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.084 -2.608 -5.161 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -12.256 -0.910 -4.097 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -11.077 0.319 -4.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.121 0.613 -5.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -11.849 0.245 -6.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.991 -0.946 -6.407 1.00 0.00 H new ATOM 97 N ARG A 7 -9.769 -3.482 -0.441 1.00 0.00 N ATOM 98 CA ARG A 7 -9.385 -3.818 0.931 1.00 0.00 C ATOM 99 C ARG A 7 -8.007 -3.257 1.286 1.00 0.00 C ATOM 100 O ARG A 7 -7.252 -2.823 0.413 1.00 0.00 O ATOM 101 CB ARG A 7 -9.404 -5.335 1.140 1.00 0.00 C ATOM 102 CG ARG A 7 -9.627 -5.751 2.584 1.00 0.00 C ATOM 103 CD ARG A 7 -8.857 -7.011 2.934 1.00 0.00 C ATOM 104 NE ARG A 7 -7.438 -6.906 2.600 1.00 0.00 N ATOM 105 CZ ARG A 7 -6.794 -7.783 1.831 1.00 0.00 C ATOM 106 NH1 ARG A 7 -7.458 -8.779 1.255 1.00 0.00 N ATOM 107 NH2 ARG A 7 -5.491 -7.651 1.622 1.00 0.00 N ATOM 0 H ARG A 7 -10.595 -2.886 -0.498 1.00 0.00 H new ATOM 0 HA ARG A 7 -10.116 -3.358 1.595 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -10.190 -5.768 0.521 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -8.459 -5.752 0.793 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -9.320 -4.942 3.247 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -10.691 -5.916 2.754 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -8.963 -7.214 4.000 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -9.291 -7.858 2.403 1.00 0.00 H new ATOM 0 HE ARG A 7 -6.912 -6.118 2.976 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -8.463 -8.874 1.401 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -6.963 -9.449 0.667 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -4.982 -6.878 2.050 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -4.998 -8.323 1.033 1.00 0.00 H new ATOM 121 N CYS A 8 -7.688 -3.266 2.573 1.00 0.00 N ATOM 122 CA CYS A 8 -6.392 -2.813 3.033 1.00 0.00 C ATOM 123 C CYS A 8 -5.353 -3.900 2.822 1.00 0.00 C ATOM 124 O CYS A 8 -5.550 -5.049 3.225 1.00 0.00 O ATOM 125 CB CYS A 8 -6.439 -2.439 4.512 1.00 0.00 C ATOM 126 SG CYS A 8 -4.830 -1.920 5.192 1.00 0.00 S ATOM 0 H CYS A 8 -8.313 -3.583 3.314 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.120 -1.930 2.455 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.158 -1.632 4.650 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -6.805 -3.293 5.082 1.00 0.00 H new ATOM 131 N ALA A 9 -4.229 -3.515 2.252 1.00 0.00 N ATOM 132 CA ALA A 9 -3.125 -4.432 2.054 1.00 0.00 C ATOM 133 C ALA A 9 -2.122 -4.299 3.197 1.00 0.00 C ATOM 134 O ALA A 9 -1.041 -4.892 3.170 1.00 0.00 O ATOM 135 CB ALA A 9 -2.459 -4.175 0.710 1.00 0.00 C ATOM 0 H ALA A 9 -4.056 -2.568 1.916 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.507 -5.453 2.051 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.631 -4.871 0.575 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.186 -4.316 -0.089 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.082 -3.153 0.680 1.00 0.00 H new ATOM 141 N GLY A 10 -2.498 -3.525 4.209 1.00 0.00 N ATOM 142 CA GLY A 10 -1.639 -3.323 5.355 1.00 0.00 C ATOM 143 C GLY A 10 -1.998 -4.229 6.514 1.00 0.00 C ATOM 144 O GLY A 10 -1.114 -4.763 7.184 1.00 0.00 O ATOM 0 H GLY A 10 -3.390 -3.032 4.253 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.604 -3.502 5.065 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.705 -2.284 5.676 1.00 0.00 H new ATOM 148 N CYS A 11 -3.289 -4.446 6.726 1.00 0.00 N ATOM 149 CA CYS A 11 -3.731 -5.345 7.780 1.00 0.00 C ATOM 150 C CYS A 11 -4.589 -6.467 7.206 1.00 0.00 C ATOM 151 O CYS A 11 -4.080 -7.494 6.753 1.00 0.00 O ATOM 152 CB CYS A 11 -4.501 -4.579 8.873 1.00 0.00 C ATOM 153 SG CYS A 11 -5.939 -3.608 8.289 1.00 0.00 S ATOM 0 H CYS A 11 -4.041 -4.016 6.187 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.846 -5.788 8.237 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.847 -5.295 9.619 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.809 -3.904 9.376 1.00 0.00 H new ATOM 158 N GLY A 12 -5.886 -6.253 7.232 1.00 0.00 N ATOM 159 CA GLY A 12 -6.831 -7.225 6.741 1.00 0.00 C ATOM 160 C GLY A 12 -8.242 -6.801 7.068 1.00 0.00 C ATOM 161 O GLY A 12 -8.903 -7.400 7.917 1.00 0.00 O ATOM 0 H GLY A 12 -6.313 -5.400 7.594 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -6.719 -7.337 5.663 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -6.625 -8.199 7.186 1.00 0.00 H new ATOM 165 N GLY A 13 -8.661 -5.692 6.481 1.00 0.00 N ATOM 166 CA GLY A 13 -9.952 -5.137 6.782 1.00 0.00 C ATOM 167 C GLY A 13 -10.456 -4.277 5.653 1.00 0.00 C ATOM 168 O GLY A 13 -9.769 -3.356 5.210 1.00 0.00 O ATOM 0 H GLY A 13 -8.120 -5.165 5.795 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.661 -5.943 6.972 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.891 -4.544 7.694 1.00 0.00 H new ATOM 172 N LYS A 14 -11.595 -4.659 5.113 1.00 0.00 N ATOM 173 CA LYS A 14 -12.202 -3.949 3.995 1.00 0.00 C ATOM 174 C LYS A 14 -12.582 -2.537 4.414 1.00 0.00 C ATOM 175 O LYS A 14 -13.615 -2.330 5.053 1.00 0.00 O ATOM 176 CB LYS A 14 -13.445 -4.699 3.503 1.00 0.00 C ATOM 177 CG LYS A 14 -13.147 -5.760 2.454 1.00 0.00 C ATOM 178 CD LYS A 14 -13.786 -7.093 2.808 1.00 0.00 C ATOM 179 CE LYS A 14 -14.820 -7.514 1.777 1.00 0.00 C ATOM 180 NZ LYS A 14 -15.752 -8.538 2.316 1.00 0.00 N ATOM 0 H LYS A 14 -12.128 -5.468 5.432 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.477 -3.895 3.183 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -13.934 -5.171 4.355 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -14.151 -3.980 3.088 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.514 -5.426 1.484 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -12.068 -5.887 2.360 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.013 -7.858 2.882 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.258 -7.021 3.788 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.387 -6.641 1.453 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -14.315 -7.910 0.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -16.442 -8.799 1.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -15.214 -9.381 2.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -16.253 -8.151 3.141 1.00 0.00 H new ATOM 194 N ILE A 15 -11.699 -1.588 4.135 1.00 0.00 N ATOM 195 CA ILE A 15 -11.909 -0.206 4.544 1.00 0.00 C ATOM 196 C ILE A 15 -13.098 0.397 3.814 1.00 0.00 C ATOM 197 O ILE A 15 -13.019 0.714 2.630 1.00 0.00 O ATOM 198 CB ILE A 15 -10.669 0.678 4.291 1.00 0.00 C ATOM 199 CG1 ILE A 15 -9.435 -0.176 3.972 1.00 0.00 C ATOM 200 CG2 ILE A 15 -10.411 1.573 5.496 1.00 0.00 C ATOM 201 CD1 ILE A 15 -8.187 0.639 3.714 1.00 0.00 C ATOM 0 H ILE A 15 -10.830 -1.750 3.627 1.00 0.00 H new ATOM 0 HA ILE A 15 -12.101 -0.230 5.617 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.867 1.307 3.423 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.249 -0.857 4.803 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -9.645 -0.791 3.097 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -9.534 2.193 5.308 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -11.277 2.212 5.667 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.236 0.956 6.377 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.354 -0.030 3.495 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.354 1.301 2.864 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.952 1.234 4.597 1.00 0.00 H new ATOM 212 N ALA A 16 -14.199 0.543 4.533 1.00 0.00 N ATOM 213 CA ALA A 16 -15.415 1.107 3.972 1.00 0.00 C ATOM 214 C ALA A 16 -15.460 2.609 4.210 1.00 0.00 C ATOM 215 O ALA A 16 -16.325 3.310 3.685 1.00 0.00 O ATOM 216 CB ALA A 16 -16.636 0.435 4.583 1.00 0.00 C ATOM 0 H ALA A 16 -14.275 0.276 5.515 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.421 0.928 2.897 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -17.541 0.866 4.155 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.608 -0.634 4.371 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -16.635 0.591 5.662 1.00 0.00 H new ATOM 222 N ASP A 17 -14.512 3.089 5.006 1.00 0.00 N ATOM 223 CA ASP A 17 -14.418 4.506 5.335 1.00 0.00 C ATOM 224 C ASP A 17 -14.125 5.351 4.105 1.00 0.00 C ATOM 225 O ASP A 17 -13.531 4.879 3.138 1.00 0.00 O ATOM 226 CB ASP A 17 -13.333 4.747 6.387 1.00 0.00 C ATOM 227 CG ASP A 17 -13.900 4.953 7.774 1.00 0.00 C ATOM 228 OD1 ASP A 17 -14.709 5.880 7.959 1.00 0.00 O ATOM 229 OD2 ASP A 17 -13.517 4.206 8.697 1.00 0.00 O ATOM 0 H ASP A 17 -13.791 2.511 5.439 1.00 0.00 H new ATOM 0 HA ASP A 17 -15.386 4.805 5.736 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -12.651 3.897 6.400 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.747 5.622 6.105 1.00 0.00 H new ATOM 234 N ARG A 18 -14.526 6.612 4.163 1.00 0.00 N ATOM 235 CA ARG A 18 -14.308 7.550 3.067 1.00 0.00 C ATOM 236 C ARG A 18 -12.915 8.171 3.162 1.00 0.00 C ATOM 237 O ARG A 18 -12.564 9.072 2.399 1.00 0.00 O ATOM 238 CB ARG A 18 -15.384 8.646 3.082 1.00 0.00 C ATOM 239 CG ARG A 18 -15.386 9.496 4.346 1.00 0.00 C ATOM 240 CD ARG A 18 -16.633 9.263 5.185 1.00 0.00 C ATOM 241 NE ARG A 18 -16.331 8.505 6.400 1.00 0.00 N ATOM 242 CZ ARG A 18 -16.064 9.055 7.584 1.00 0.00 C ATOM 243 NH1 ARG A 18 -16.248 10.355 7.787 1.00 0.00 N ATOM 244 NH2 ARG A 18 -15.650 8.290 8.578 1.00 0.00 N ATOM 0 H ARG A 18 -15.009 7.015 4.966 1.00 0.00 H new ATOM 0 HA ARG A 18 -14.378 7.005 2.126 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -15.237 9.296 2.220 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -16.363 8.181 2.968 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -14.501 9.266 4.939 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -15.323 10.550 4.075 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -17.075 10.222 5.454 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -17.374 8.725 4.594 1.00 0.00 H new ATOM 0 HE ARG A 18 -16.324 7.487 6.336 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -16.598 10.945 7.032 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -16.040 10.763 8.698 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -15.537 7.286 8.436 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -15.443 8.703 9.487 1.00 0.00 H new ATOM 258 N PHE A 19 -12.131 7.687 4.117 1.00 0.00 N ATOM 259 CA PHE A 19 -10.773 8.165 4.328 1.00 0.00 C ATOM 260 C PHE A 19 -9.794 6.999 4.230 1.00 0.00 C ATOM 261 O PHE A 19 -9.496 6.347 5.234 1.00 0.00 O ATOM 262 CB PHE A 19 -10.637 8.827 5.706 1.00 0.00 C ATOM 263 CG PHE A 19 -11.593 9.961 5.966 1.00 0.00 C ATOM 264 CD1 PHE A 19 -11.962 10.832 4.953 1.00 0.00 C ATOM 265 CD2 PHE A 19 -12.113 10.162 7.235 1.00 0.00 C ATOM 266 CE1 PHE A 19 -12.832 11.875 5.199 1.00 0.00 C ATOM 267 CE2 PHE A 19 -12.983 11.203 7.486 1.00 0.00 C ATOM 268 CZ PHE A 19 -13.343 12.062 6.467 1.00 0.00 C ATOM 0 H PHE A 19 -12.419 6.954 4.765 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.546 8.904 3.559 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.782 8.067 6.473 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.618 9.199 5.814 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -11.564 10.693 3.959 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -11.834 9.495 8.037 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -13.113 12.544 4.399 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -13.382 11.346 8.479 1.00 0.00 H new ATOM 0 HZ PHE A 19 -14.023 12.878 6.662 1.00 0.00 H new ATOM 278 N LEU A 20 -9.313 6.717 3.027 1.00 0.00 N ATOM 279 CA LEU A 20 -8.397 5.601 2.819 1.00 0.00 C ATOM 280 C LEU A 20 -7.177 6.040 2.021 1.00 0.00 C ATOM 281 O LEU A 20 -7.202 7.065 1.334 1.00 0.00 O ATOM 282 CB LEU A 20 -9.083 4.424 2.098 1.00 0.00 C ATOM 283 CG LEU A 20 -10.540 4.643 1.662 1.00 0.00 C ATOM 284 CD1 LEU A 20 -10.609 5.522 0.425 1.00 0.00 C ATOM 285 CD2 LEU A 20 -11.220 3.306 1.394 1.00 0.00 C ATOM 0 H LEU A 20 -9.540 7.242 2.183 1.00 0.00 H new ATOM 0 HA LEU A 20 -8.081 5.264 3.806 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -8.496 4.177 1.214 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.050 3.555 2.756 1.00 0.00 H new ATOM 0 HG LEU A 20 -11.064 5.149 2.473 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.651 5.662 0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.159 6.491 0.641 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -10.067 5.044 -0.391 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.251 3.478 1.086 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -10.688 2.779 0.602 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.208 2.703 2.302 1.00 0.00 H new ATOM 297 N LEU A 21 -6.140 5.222 2.067 1.00 0.00 N ATOM 298 CA LEU A 21 -4.942 5.448 1.282 1.00 0.00 C ATOM 299 C LEU A 21 -4.954 4.518 0.080 1.00 0.00 C ATOM 300 O LEU A 21 -5.522 3.430 0.141 1.00 0.00 O ATOM 301 CB LEU A 21 -3.696 5.205 2.131 1.00 0.00 C ATOM 302 CG LEU A 21 -2.568 6.208 1.908 1.00 0.00 C ATOM 303 CD1 LEU A 21 -1.733 6.352 3.164 1.00 0.00 C ATOM 304 CD2 LEU A 21 -1.701 5.784 0.736 1.00 0.00 C ATOM 0 H LEU A 21 -6.106 4.385 2.649 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.922 6.483 0.940 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.980 5.226 3.183 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.320 4.203 1.922 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.009 7.177 1.674 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.933 7.071 2.988 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.363 6.703 3.981 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.302 5.386 3.427 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.902 6.512 0.592 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.268 4.805 0.939 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.310 5.731 -0.167 1.00 0.00 H new ATOM 316 N TYR A 22 -4.409 4.981 -1.029 1.00 0.00 N ATOM 317 CA TYR A 22 -4.413 4.213 -2.265 1.00 0.00 C ATOM 318 C TYR A 22 -2.989 3.878 -2.671 1.00 0.00 C ATOM 319 O TYR A 22 -2.180 4.780 -2.901 1.00 0.00 O ATOM 320 CB TYR A 22 -5.070 5.006 -3.403 1.00 0.00 C ATOM 321 CG TYR A 22 -6.514 5.399 -3.191 1.00 0.00 C ATOM 322 CD1 TYR A 22 -6.896 6.197 -2.120 1.00 0.00 C ATOM 323 CD2 TYR A 22 -7.489 5.004 -4.093 1.00 0.00 C ATOM 324 CE1 TYR A 22 -8.209 6.585 -1.951 1.00 0.00 C ATOM 325 CE2 TYR A 22 -8.807 5.386 -3.929 1.00 0.00 C ATOM 326 CZ TYR A 22 -9.162 6.176 -2.859 1.00 0.00 C ATOM 327 OH TYR A 22 -10.472 6.562 -2.699 1.00 0.00 O ATOM 0 H TYR A 22 -3.954 5.891 -1.102 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.981 3.300 -2.088 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -4.488 5.913 -3.570 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -5.006 4.414 -4.316 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -6.152 6.519 -1.407 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -7.215 4.388 -4.937 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -8.489 7.205 -1.112 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -9.556 5.066 -4.638 1.00 0.00 H new ATOM 0 HH TYR A 22 -11.014 6.189 -3.426 1.00 0.00 H new ATOM 337 N ALA A 23 -2.694 2.595 -2.812 1.00 0.00 N ATOM 338 CA ALA A 23 -1.380 2.177 -3.267 1.00 0.00 C ATOM 339 C ALA A 23 -1.444 0.834 -3.985 1.00 0.00 C ATOM 340 O ALA A 23 -2.024 -0.125 -3.472 1.00 0.00 O ATOM 341 CB ALA A 23 -0.397 2.121 -2.105 1.00 0.00 C ATOM 0 H ALA A 23 -3.342 1.831 -2.619 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.024 2.920 -3.981 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.580 1.805 -2.470 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.313 3.109 -1.651 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.754 1.409 -1.361 1.00 0.00 H new ATOM 347 N MET A 24 -0.891 0.797 -5.201 1.00 0.00 N ATOM 348 CA MET A 24 -0.888 -0.405 -6.039 1.00 0.00 C ATOM 349 C MET A 24 -2.310 -0.828 -6.394 1.00 0.00 C ATOM 350 O MET A 24 -2.631 -2.019 -6.402 1.00 0.00 O ATOM 351 CB MET A 24 -0.151 -1.559 -5.347 1.00 0.00 C ATOM 352 CG MET A 24 1.270 -1.763 -5.847 1.00 0.00 C ATOM 353 SD MET A 24 1.907 -3.415 -5.493 1.00 0.00 S ATOM 354 CE MET A 24 1.837 -3.432 -3.700 1.00 0.00 C ATOM 0 H MET A 24 -0.433 1.600 -5.632 1.00 0.00 H new ATOM 0 HA MET A 24 -0.359 -0.161 -6.960 1.00 0.00 H new ATOM 0 HB2 MET A 24 -0.126 -1.371 -4.274 1.00 0.00 H new ATOM 0 HB3 MET A 24 -0.715 -2.480 -5.496 1.00 0.00 H new ATOM 0 HG2 MET A 24 1.300 -1.590 -6.923 1.00 0.00 H new ATOM 0 HG3 MET A 24 1.922 -1.021 -5.387 1.00 0.00 H new ATOM 0 HE1 MET A 24 2.298 -4.347 -3.327 1.00 0.00 H new ATOM 0 HE2 MET A 24 2.374 -2.569 -3.307 1.00 0.00 H new ATOM 0 HE3 MET A 24 0.797 -3.391 -3.376 1.00 0.00 H new ATOM 364 N ASP A 25 -3.171 0.167 -6.618 1.00 0.00 N ATOM 365 CA ASP A 25 -4.586 -0.059 -6.934 1.00 0.00 C ATOM 366 C ASP A 25 -5.316 -0.748 -5.787 1.00 0.00 C ATOM 367 O ASP A 25 -6.490 -1.095 -5.910 1.00 0.00 O ATOM 368 CB ASP A 25 -4.753 -0.861 -8.231 1.00 0.00 C ATOM 369 CG ASP A 25 -5.133 0.016 -9.409 1.00 0.00 C ATOM 370 OD1 ASP A 25 -6.052 0.854 -9.261 1.00 0.00 O ATOM 371 OD2 ASP A 25 -4.520 -0.125 -10.490 1.00 0.00 O ATOM 0 H ASP A 25 -2.909 1.152 -6.586 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.036 0.923 -7.080 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.822 -1.382 -8.455 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.519 -1.623 -8.087 1.00 0.00 H new ATOM 376 N SER A 26 -4.656 -0.829 -4.641 1.00 0.00 N ATOM 377 CA SER A 26 -5.270 -1.357 -3.438 1.00 0.00 C ATOM 378 C SER A 26 -5.345 -0.263 -2.388 1.00 0.00 C ATOM 379 O SER A 26 -4.824 0.835 -2.596 1.00 0.00 O ATOM 380 CB SER A 26 -4.473 -2.556 -2.921 1.00 0.00 C ATOM 381 OG SER A 26 -3.706 -3.139 -3.965 1.00 0.00 O ATOM 0 H SER A 26 -3.687 -0.532 -4.522 1.00 0.00 H new ATOM 0 HA SER A 26 -6.281 -1.697 -3.664 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.814 -2.239 -2.113 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.154 -3.299 -2.505 1.00 0.00 H new ATOM 0 HG SER A 26 -3.202 -3.903 -3.614 1.00 0.00 H new ATOM 387 N TYR A 27 -6.031 -0.532 -1.293 1.00 0.00 N ATOM 388 CA TYR A 27 -6.196 0.469 -0.258 1.00 0.00 C ATOM 389 C TYR A 27 -5.365 0.125 0.960 1.00 0.00 C ATOM 390 O TYR A 27 -4.936 -1.015 1.132 1.00 0.00 O ATOM 391 CB TYR A 27 -7.669 0.620 0.119 1.00 0.00 C ATOM 392 CG TYR A 27 -8.533 1.137 -1.008 1.00 0.00 C ATOM 393 CD1 TYR A 27 -7.968 1.740 -2.130 1.00 0.00 C ATOM 394 CD2 TYR A 27 -9.914 1.017 -0.954 1.00 0.00 C ATOM 395 CE1 TYR A 27 -8.760 2.203 -3.158 1.00 0.00 C ATOM 396 CE2 TYR A 27 -10.711 1.479 -1.983 1.00 0.00 C ATOM 397 CZ TYR A 27 -10.128 2.071 -3.082 1.00 0.00 C ATOM 398 OH TYR A 27 -10.913 2.531 -4.113 1.00 0.00 O ATOM 0 H TYR A 27 -6.479 -1.427 -1.099 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.845 1.423 -0.651 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.053 -0.347 0.445 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.750 1.298 0.968 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.895 1.846 -2.195 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -10.374 0.555 -0.093 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -8.308 2.668 -4.022 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.785 1.377 -1.926 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.692 3.467 -4.300 1.00 0.00 H new ATOM 408 N TRP A 28 -5.051 1.141 1.739 1.00 0.00 N ATOM 409 CA TRP A 28 -4.195 0.988 2.901 1.00 0.00 C ATOM 410 C TRP A 28 -4.702 1.856 4.042 1.00 0.00 C ATOM 411 O TRP A 28 -5.348 2.884 3.810 1.00 0.00 O ATOM 412 CB TRP A 28 -2.753 1.407 2.572 1.00 0.00 C ATOM 413 CG TRP A 28 -2.041 0.510 1.602 1.00 0.00 C ATOM 414 CD1 TRP A 28 -2.245 0.430 0.256 1.00 0.00 C ATOM 415 CD2 TRP A 28 -0.994 -0.415 1.904 1.00 0.00 C ATOM 416 NE1 TRP A 28 -1.395 -0.494 -0.297 1.00 0.00 N ATOM 417 CE2 TRP A 28 -0.614 -1.025 0.694 1.00 0.00 C ATOM 418 CE3 TRP A 28 -0.339 -0.787 3.081 1.00 0.00 C ATOM 419 CZ2 TRP A 28 0.389 -1.987 0.630 1.00 0.00 C ATOM 420 CZ3 TRP A 28 0.657 -1.741 3.015 1.00 0.00 C ATOM 421 CH2 TRP A 28 1.013 -2.331 1.798 1.00 0.00 C ATOM 0 H TRP A 28 -5.381 2.094 1.586 1.00 0.00 H new ATOM 0 HA TRP A 28 -4.211 -0.062 3.193 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.767 2.418 2.166 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.180 1.444 3.499 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -2.971 1.010 -0.295 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -1.352 -0.744 -1.285 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.607 -0.336 4.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 0.665 -2.446 -0.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 1.170 -2.037 3.918 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.797 -3.074 1.780 1.00 0.00 H new ATOM 432 N HIS A 29 -4.234 1.555 5.239 1.00 0.00 N ATOM 433 CA HIS A 29 -4.431 2.440 6.373 1.00 0.00 C ATOM 434 C HIS A 29 -3.178 3.282 6.535 1.00 0.00 C ATOM 435 O HIS A 29 -2.133 2.941 5.982 1.00 0.00 O ATOM 436 CB HIS A 29 -4.693 1.650 7.658 1.00 0.00 C ATOM 437 CG HIS A 29 -6.098 1.151 7.806 1.00 0.00 C ATOM 438 ND1 HIS A 29 -6.395 -0.185 7.744 1.00 0.00 N ATOM 439 CD2 HIS A 29 -7.244 1.841 8.036 1.00 0.00 C ATOM 440 CE1 HIS A 29 -7.696 -0.292 7.937 1.00 0.00 C ATOM 441 NE2 HIS A 29 -8.258 0.915 8.120 1.00 0.00 N ATOM 0 H HIS A 29 -3.714 0.704 5.452 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.302 3.070 6.191 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -4.013 0.799 7.691 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -4.454 2.282 8.513 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -7.341 2.912 8.134 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -8.238 -1.226 7.947 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -9.245 1.107 8.289 1.00 0.00 H new ATOM 449 N SER A 30 -3.267 4.361 7.287 1.00 0.00 N ATOM 450 CA SER A 30 -2.116 5.224 7.505 1.00 0.00 C ATOM 451 C SER A 30 -1.016 4.482 8.260 1.00 0.00 C ATOM 452 O SER A 30 0.161 4.564 7.905 1.00 0.00 O ATOM 453 CB SER A 30 -2.543 6.473 8.272 1.00 0.00 C ATOM 454 OG SER A 30 -3.958 6.602 8.283 1.00 0.00 O ATOM 0 H SER A 30 -4.120 4.663 7.757 1.00 0.00 H new ATOM 0 HA SER A 30 -1.715 5.523 6.536 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.171 6.421 9.295 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.097 7.356 7.814 1.00 0.00 H new ATOM 0 HG SER A 30 -4.209 7.408 8.781 1.00 0.00 H new ATOM 460 N ARG A 31 -1.414 3.725 9.273 1.00 0.00 N ATOM 461 CA ARG A 31 -0.469 2.951 10.070 1.00 0.00 C ATOM 462 C ARG A 31 -0.133 1.626 9.388 1.00 0.00 C ATOM 463 O ARG A 31 0.830 0.953 9.760 1.00 0.00 O ATOM 464 CB ARG A 31 -1.042 2.694 11.465 1.00 0.00 C ATOM 465 CG ARG A 31 -0.030 2.132 12.447 1.00 0.00 C ATOM 466 CD ARG A 31 1.025 3.158 12.813 1.00 0.00 C ATOM 467 NE ARG A 31 2.141 2.530 13.509 1.00 0.00 N ATOM 468 CZ ARG A 31 3.389 2.522 13.062 1.00 0.00 C ATOM 469 NH1 ARG A 31 3.723 3.212 11.980 1.00 0.00 N ATOM 470 NH2 ARG A 31 4.310 1.833 13.716 1.00 0.00 N ATOM 0 H ARG A 31 -2.387 3.629 9.564 1.00 0.00 H new ATOM 0 HA ARG A 31 0.450 3.529 10.163 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.440 3.628 11.862 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.879 2.000 11.382 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.544 1.800 13.349 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.450 1.255 12.013 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.386 3.653 11.911 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.584 3.929 13.445 1.00 0.00 H new ATOM 0 HE ARG A 31 1.949 2.067 14.397 1.00 0.00 H new ATOM 0 HH11 ARG A 31 3.017 3.755 11.484 1.00 0.00 H new ATOM 0 HH12 ARG A 31 4.686 3.199 11.644 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.057 1.314 14.557 1.00 0.00 H new ATOM 0 HH22 ARG A 31 5.273 1.821 13.379 1.00 0.00 H new ATOM 484 N CYS A 32 -0.929 1.256 8.392 1.00 0.00 N ATOM 485 CA CYS A 32 -0.706 0.018 7.664 1.00 0.00 C ATOM 486 C CYS A 32 0.298 0.225 6.536 1.00 0.00 C ATOM 487 O CYS A 32 1.206 -0.589 6.345 1.00 0.00 O ATOM 488 CB CYS A 32 -2.024 -0.514 7.122 1.00 0.00 C ATOM 489 SG CYS A 32 -3.113 -1.184 8.416 1.00 0.00 S ATOM 0 H CYS A 32 -1.733 1.796 8.072 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.289 -0.718 8.351 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -2.544 0.288 6.598 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -1.819 -1.294 6.389 1.00 0.00 H new ATOM 494 N LEU A 33 0.228 1.384 5.896 1.00 0.00 N ATOM 495 CA LEU A 33 1.243 1.768 4.931 1.00 0.00 C ATOM 496 C LEU A 33 2.432 2.347 5.680 1.00 0.00 C ATOM 497 O LEU A 33 2.638 3.562 5.728 1.00 0.00 O ATOM 498 CB LEU A 33 0.700 2.776 3.915 1.00 0.00 C ATOM 499 CG LEU A 33 1.653 3.098 2.763 1.00 0.00 C ATOM 500 CD1 LEU A 33 1.810 1.903 1.836 1.00 0.00 C ATOM 501 CD2 LEU A 33 1.162 4.304 1.990 1.00 0.00 C ATOM 0 H LEU A 33 -0.516 2.069 6.028 1.00 0.00 H new ATOM 0 HA LEU A 33 1.552 0.886 4.369 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.231 2.389 3.501 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.456 3.702 4.436 1.00 0.00 H new ATOM 0 HG LEU A 33 2.630 3.329 3.188 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.493 2.158 1.025 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.212 1.058 2.396 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.839 1.634 1.421 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.852 4.519 1.174 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.172 4.097 1.583 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.108 5.165 2.656 1.00 0.00 H new ATOM 513 N LYS A 34 3.111 1.472 6.395 1.00 0.00 N ATOM 514 CA LYS A 34 4.189 1.864 7.277 1.00 0.00 C ATOM 515 C LYS A 34 5.482 1.210 6.865 1.00 0.00 C ATOM 516 O LYS A 34 5.496 0.240 6.098 1.00 0.00 O ATOM 517 CB LYS A 34 3.844 1.503 8.730 1.00 0.00 C ATOM 518 CG LYS A 34 4.243 0.090 9.138 1.00 0.00 C ATOM 519 CD LYS A 34 3.131 -0.908 8.859 1.00 0.00 C ATOM 520 CE LYS A 34 3.669 -2.319 8.702 1.00 0.00 C ATOM 521 NZ LYS A 34 2.725 -3.335 9.240 1.00 0.00 N ATOM 0 H LYS A 34 2.930 0.468 6.380 1.00 0.00 H new ATOM 0 HA LYS A 34 4.317 2.944 7.205 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.336 2.213 9.395 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.770 1.621 8.876 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.142 -0.205 8.597 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.490 0.073 10.200 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.407 -0.883 9.673 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.601 -0.618 7.952 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.857 -2.521 7.647 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.625 -2.403 9.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.129 -4.285 9.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.565 -3.158 10.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.821 -3.273 8.730 1.00 0.00 H new ATOM 535 N CYS A 35 6.541 1.750 7.428 1.00 0.00 N ATOM 536 CA CYS A 35 7.882 1.246 7.288 1.00 0.00 C ATOM 537 C CYS A 35 7.901 -0.285 7.392 1.00 0.00 C ATOM 538 O CYS A 35 7.401 -0.851 8.365 1.00 0.00 O ATOM 539 CB CYS A 35 8.659 1.858 8.439 1.00 0.00 C ATOM 540 SG CYS A 35 9.693 3.307 8.043 1.00 0.00 S ATOM 0 H CYS A 35 6.485 2.582 8.016 1.00 0.00 H new ATOM 0 HA CYS A 35 8.309 1.502 6.319 1.00 0.00 H new ATOM 0 HB2 CYS A 35 7.949 2.147 9.214 1.00 0.00 H new ATOM 0 HB3 CYS A 35 9.301 1.087 8.866 1.00 0.00 H new ATOM 545 N SER A 36 8.372 -0.939 6.341 1.00 0.00 N ATOM 546 CA SER A 36 8.308 -2.393 6.241 1.00 0.00 C ATOM 547 C SER A 36 9.023 -3.095 7.394 1.00 0.00 C ATOM 548 O SER A 36 8.536 -4.099 7.917 1.00 0.00 O ATOM 549 CB SER A 36 8.913 -2.827 4.912 1.00 0.00 C ATOM 550 OG SER A 36 9.328 -1.694 4.171 1.00 0.00 O ATOM 0 H SER A 36 8.806 -0.483 5.538 1.00 0.00 H new ATOM 0 HA SER A 36 7.259 -2.684 6.298 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.763 -3.486 5.089 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.181 -3.397 4.340 1.00 0.00 H new ATOM 0 HG SER A 36 8.908 -1.711 3.286 1.00 0.00 H new ATOM 556 N SER A 37 10.225 -2.643 7.702 1.00 0.00 N ATOM 557 CA SER A 37 11.045 -3.308 8.704 1.00 0.00 C ATOM 558 C SER A 37 11.311 -2.399 9.897 1.00 0.00 C ATOM 559 O SER A 37 11.789 -2.846 10.940 1.00 0.00 O ATOM 560 CB SER A 37 12.367 -3.733 8.076 1.00 0.00 C ATOM 561 OG SER A 37 12.155 -4.430 6.857 1.00 0.00 O ATOM 0 H SER A 37 10.656 -1.822 7.276 1.00 0.00 H new ATOM 0 HA SER A 37 10.504 -4.184 9.063 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.985 -2.854 7.893 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.915 -4.369 8.771 1.00 0.00 H new ATOM 0 HG SER A 37 13.019 -4.690 6.474 1.00 0.00 H new ATOM 567 N CYS A 38 11.147 -1.112 9.678 1.00 0.00 N ATOM 568 CA CYS A 38 11.518 -0.120 10.661 1.00 0.00 C ATOM 569 C CYS A 38 10.302 0.319 11.487 1.00 0.00 C ATOM 570 O CYS A 38 10.439 0.860 12.584 1.00 0.00 O ATOM 571 CB CYS A 38 12.147 1.040 9.906 1.00 0.00 C ATOM 572 SG CYS A 38 12.380 0.683 8.124 1.00 0.00 S ATOM 0 H CYS A 38 10.755 -0.727 8.819 1.00 0.00 H new ATOM 0 HA CYS A 38 12.231 -0.527 11.378 1.00 0.00 H new ATOM 0 HB2 CYS A 38 11.518 1.923 10.016 1.00 0.00 H new ATOM 0 HB3 CYS A 38 13.112 1.278 10.353 1.00 0.00 H new ATOM 577 N GLN A 39 9.120 0.013 10.958 1.00 0.00 N ATOM 578 CA GLN A 39 7.832 0.267 11.617 1.00 0.00 C ATOM 579 C GLN A 39 7.642 1.718 12.069 1.00 0.00 C ATOM 580 O GLN A 39 6.785 1.994 12.904 1.00 0.00 O ATOM 581 CB GLN A 39 7.623 -0.671 12.809 1.00 0.00 C ATOM 582 CG GLN A 39 7.901 -2.134 12.499 1.00 0.00 C ATOM 583 CD GLN A 39 6.954 -2.706 11.463 1.00 0.00 C ATOM 584 OE1 GLN A 39 5.786 -2.320 11.386 1.00 0.00 O ATOM 585 NE2 GLN A 39 7.446 -3.642 10.669 1.00 0.00 N ATOM 0 H GLN A 39 9.024 -0.427 10.043 1.00 0.00 H new ATOM 0 HA GLN A 39 7.079 0.069 10.854 1.00 0.00 H new ATOM 0 HB2 GLN A 39 8.271 -0.354 13.626 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.596 -0.573 13.160 1.00 0.00 H new ATOM 0 HG2 GLN A 39 8.926 -2.237 12.143 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.822 -2.716 13.417 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.419 -3.933 10.766 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.853 -4.073 9.960 1.00 0.00 H new ATOM 594 N ALA A 40 8.303 2.657 11.411 1.00 0.00 N ATOM 595 CA ALA A 40 8.011 4.058 11.626 1.00 0.00 C ATOM 596 C ALA A 40 6.811 4.460 10.768 1.00 0.00 C ATOM 597 O ALA A 40 6.069 3.605 10.275 1.00 0.00 O ATOM 598 CB ALA A 40 9.231 4.910 11.300 1.00 0.00 C ATOM 0 H ALA A 40 9.039 2.473 10.729 1.00 0.00 H new ATOM 0 HA ALA A 40 7.764 4.224 12.675 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.996 5.961 11.467 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.061 4.618 11.943 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.510 4.762 10.257 1.00 0.00 H new ATOM 604 N GLN A 41 6.641 5.749 10.560 1.00 0.00 N ATOM 605 CA GLN A 41 5.568 6.250 9.710 1.00 0.00 C ATOM 606 C GLN A 41 6.127 6.634 8.344 1.00 0.00 C ATOM 607 O GLN A 41 7.024 7.473 8.252 1.00 0.00 O ATOM 608 CB GLN A 41 4.881 7.450 10.368 1.00 0.00 C ATOM 609 CG GLN A 41 3.361 7.482 10.219 1.00 0.00 C ATOM 610 CD GLN A 41 2.771 6.190 9.681 1.00 0.00 C ATOM 611 OE1 GLN A 41 2.755 5.164 10.363 1.00 0.00 O ATOM 612 NE2 GLN A 41 2.268 6.239 8.459 1.00 0.00 N ATOM 0 H GLN A 41 7.231 6.475 10.967 1.00 0.00 H new ATOM 0 HA GLN A 41 4.825 5.464 9.577 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.128 7.454 11.430 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.293 8.365 9.942 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.915 7.698 11.190 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.088 8.300 9.553 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.302 7.109 7.928 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.846 5.406 8.047 1.00 0.00 H new ATOM 621 N LEU A 42 5.645 5.967 7.298 1.00 0.00 N ATOM 622 CA LEU A 42 6.146 6.189 5.944 1.00 0.00 C ATOM 623 C LEU A 42 5.977 7.643 5.519 1.00 0.00 C ATOM 624 O LEU A 42 6.950 8.331 5.211 1.00 0.00 O ATOM 625 CB LEU A 42 5.416 5.285 4.943 1.00 0.00 C ATOM 626 CG LEU A 42 5.901 3.839 4.876 1.00 0.00 C ATOM 627 CD1 LEU A 42 5.361 3.159 3.629 1.00 0.00 C ATOM 628 CD2 LEU A 42 7.415 3.783 4.889 1.00 0.00 C ATOM 0 H LEU A 42 4.906 5.267 7.363 1.00 0.00 H new ATOM 0 HA LEU A 42 7.209 5.946 5.949 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.355 5.281 5.193 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.508 5.726 3.950 1.00 0.00 H new ATOM 0 HG LEU A 42 5.528 3.310 5.753 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.715 2.129 3.594 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.271 3.168 3.653 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.709 3.692 2.744 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.741 2.744 4.841 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.807 4.327 4.029 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.788 4.238 5.807 1.00 0.00 H new ATOM 640 N GLY A 43 4.733 8.105 5.487 1.00 0.00 N ATOM 641 CA GLY A 43 4.451 9.453 5.034 1.00 0.00 C ATOM 642 C GLY A 43 4.576 10.489 6.132 1.00 0.00 C ATOM 643 O GLY A 43 3.771 11.416 6.207 1.00 0.00 O ATOM 0 H GLY A 43 3.912 7.568 5.768 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.134 9.708 4.224 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.442 9.488 4.623 1.00 0.00 H new ATOM 647 N ASP A 44 5.594 10.347 6.972 1.00 0.00 N ATOM 648 CA ASP A 44 5.821 11.301 8.051 1.00 0.00 C ATOM 649 C ASP A 44 7.046 12.159 7.771 1.00 0.00 C ATOM 650 O ASP A 44 7.147 13.290 8.240 1.00 0.00 O ATOM 651 CB ASP A 44 5.987 10.581 9.386 1.00 0.00 C ATOM 652 CG ASP A 44 5.727 11.492 10.570 1.00 0.00 C ATOM 653 OD1 ASP A 44 5.077 12.545 10.391 1.00 0.00 O ATOM 654 OD2 ASP A 44 6.165 11.154 11.691 1.00 0.00 O ATOM 0 H ASP A 44 6.272 9.586 6.928 1.00 0.00 H new ATOM 0 HA ASP A 44 4.947 11.949 8.108 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.303 9.733 9.426 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.998 10.179 9.456 1.00 0.00 H new ATOM 659 N ILE A 45 7.960 11.628 6.975 1.00 0.00 N ATOM 660 CA ILE A 45 9.160 12.359 6.596 1.00 0.00 C ATOM 661 C ILE A 45 9.133 12.666 5.104 1.00 0.00 C ATOM 662 O ILE A 45 10.161 12.948 4.489 1.00 0.00 O ATOM 663 CB ILE A 45 10.443 11.567 6.935 1.00 0.00 C ATOM 664 CG1 ILE A 45 10.192 10.057 6.835 1.00 0.00 C ATOM 665 CG2 ILE A 45 10.937 11.932 8.330 1.00 0.00 C ATOM 666 CD1 ILE A 45 10.601 9.460 5.506 1.00 0.00 C ATOM 0 H ILE A 45 7.894 10.691 6.578 1.00 0.00 H new ATOM 0 HA ILE A 45 9.174 13.288 7.166 1.00 0.00 H new ATOM 0 HB ILE A 45 11.212 11.834 6.211 1.00 0.00 H new ATOM 0 HG12 ILE A 45 10.737 9.553 7.633 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.132 9.862 7.000 1.00 0.00 H new ATOM 0 HG21 ILE A 45 11.841 11.367 8.555 1.00 0.00 H new ATOM 0 HG22 ILE A 45 11.157 12.999 8.371 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.167 11.692 9.063 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.394 8.390 5.509 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.037 9.937 4.704 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.667 9.623 5.346 1.00 0.00 H new ATOM 677 N GLY A 46 7.948 12.544 4.526 1.00 0.00 N ATOM 678 CA GLY A 46 7.785 12.717 3.100 1.00 0.00 C ATOM 679 C GLY A 46 7.081 11.524 2.492 1.00 0.00 C ATOM 680 O GLY A 46 7.446 10.383 2.772 1.00 0.00 O ATOM 0 H GLY A 46 7.087 12.326 5.027 1.00 0.00 H new ATOM 0 HA2 GLY A 46 7.212 13.623 2.902 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.760 12.848 2.631 1.00 0.00 H new ATOM 684 N THR A 47 5.983 11.766 1.794 1.00 0.00 N ATOM 685 CA THR A 47 5.168 10.674 1.294 1.00 0.00 C ATOM 686 C THR A 47 5.763 10.066 0.024 1.00 0.00 C ATOM 687 O THR A 47 5.555 10.571 -1.078 1.00 0.00 O ATOM 688 CB THR A 47 3.743 11.171 0.996 1.00 0.00 C ATOM 689 OG1 THR A 47 3.751 12.601 0.875 1.00 0.00 O ATOM 690 CG2 THR A 47 2.778 10.760 2.099 1.00 0.00 C ATOM 0 H THR A 47 5.639 12.698 1.563 1.00 0.00 H new ATOM 0 HA THR A 47 5.140 9.905 2.066 1.00 0.00 H new ATOM 0 HB THR A 47 3.409 10.719 0.062 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.844 12.918 0.683 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.778 11.124 1.862 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.758 9.673 2.179 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.105 11.188 3.047 1.00 0.00 H new ATOM 698 N SER A 48 6.403 8.915 0.179 1.00 0.00 N ATOM 699 CA SER A 48 6.933 8.165 -0.948 1.00 0.00 C ATOM 700 C SER A 48 7.216 6.725 -0.541 1.00 0.00 C ATOM 701 O SER A 48 8.118 6.464 0.256 1.00 0.00 O ATOM 702 CB SER A 48 8.206 8.816 -1.485 1.00 0.00 C ATOM 703 OG SER A 48 8.017 9.299 -2.804 1.00 0.00 O ATOM 0 H SER A 48 6.568 8.478 1.086 1.00 0.00 H new ATOM 0 HA SER A 48 6.183 8.169 -1.739 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.500 9.638 -0.833 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.021 8.092 -1.473 1.00 0.00 H new ATOM 0 HG SER A 48 8.889 9.440 -3.229 1.00 0.00 H new ATOM 709 N SER A 49 6.448 5.802 -1.082 1.00 0.00 N ATOM 710 CA SER A 49 6.640 4.391 -0.797 1.00 0.00 C ATOM 711 C SER A 49 7.308 3.709 -1.978 1.00 0.00 C ATOM 712 O SER A 49 7.026 4.033 -3.132 1.00 0.00 O ATOM 713 CB SER A 49 5.297 3.730 -0.502 1.00 0.00 C ATOM 714 OG SER A 49 4.264 4.361 -1.239 1.00 0.00 O ATOM 0 H SER A 49 5.681 6.003 -1.724 1.00 0.00 H new ATOM 0 HA SER A 49 7.282 4.291 0.078 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.341 2.672 -0.758 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.081 3.791 0.565 1.00 0.00 H new ATOM 0 HG SER A 49 3.408 3.926 -1.041 1.00 0.00 H new ATOM 720 N TYR A 50 8.233 2.812 -1.686 1.00 0.00 N ATOM 721 CA TYR A 50 8.978 2.127 -2.725 1.00 0.00 C ATOM 722 C TYR A 50 8.442 0.723 -2.942 1.00 0.00 C ATOM 723 O TYR A 50 8.407 -0.085 -2.016 1.00 0.00 O ATOM 724 CB TYR A 50 10.459 2.074 -2.369 1.00 0.00 C ATOM 725 CG TYR A 50 11.263 3.133 -3.074 1.00 0.00 C ATOM 726 CD1 TYR A 50 11.564 3.012 -4.422 1.00 0.00 C ATOM 727 CD2 TYR A 50 11.702 4.261 -2.399 1.00 0.00 C ATOM 728 CE1 TYR A 50 12.285 3.984 -5.078 1.00 0.00 C ATOM 729 CE2 TYR A 50 12.425 5.238 -3.048 1.00 0.00 C ATOM 730 CZ TYR A 50 12.713 5.097 -4.389 1.00 0.00 C ATOM 731 OH TYR A 50 13.433 6.068 -5.043 1.00 0.00 O ATOM 0 H TYR A 50 8.486 2.541 -0.736 1.00 0.00 H new ATOM 0 HA TYR A 50 8.857 2.687 -3.652 1.00 0.00 H new ATOM 0 HB2 TYR A 50 10.574 2.193 -1.292 1.00 0.00 H new ATOM 0 HB3 TYR A 50 10.855 1.092 -2.625 1.00 0.00 H new ATOM 0 HD1 TYR A 50 11.228 2.142 -4.966 1.00 0.00 H new ATOM 0 HD2 TYR A 50 11.474 4.376 -1.350 1.00 0.00 H new ATOM 0 HE1 TYR A 50 12.514 3.874 -6.128 1.00 0.00 H new ATOM 0 HE2 TYR A 50 12.764 6.110 -2.509 1.00 0.00 H new ATOM 0 HH TYR A 50 13.200 6.062 -5.995 1.00 0.00 H new ATOM 741 N THR A 51 8.044 0.439 -4.168 1.00 0.00 N ATOM 742 CA THR A 51 7.529 -0.871 -4.519 1.00 0.00 C ATOM 743 C THR A 51 8.617 -1.733 -5.146 1.00 0.00 C ATOM 744 O THR A 51 8.991 -1.535 -6.302 1.00 0.00 O ATOM 745 CB THR A 51 6.355 -0.743 -5.501 1.00 0.00 C ATOM 746 OG1 THR A 51 5.894 0.616 -5.520 1.00 0.00 O ATOM 747 CG2 THR A 51 5.215 -1.667 -5.106 1.00 0.00 C ATOM 0 H THR A 51 8.068 1.103 -4.942 1.00 0.00 H new ATOM 0 HA THR A 51 7.183 -1.348 -3.602 1.00 0.00 H new ATOM 0 HB THR A 51 6.699 -1.030 -6.495 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.981 0.978 -6.426 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.396 -1.558 -5.816 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.565 -2.699 -5.111 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.866 -1.407 -4.107 1.00 0.00 H new ATOM 755 N LYS A 52 9.129 -2.677 -4.379 1.00 0.00 N ATOM 756 CA LYS A 52 10.174 -3.561 -4.861 1.00 0.00 C ATOM 757 C LYS A 52 10.132 -4.879 -4.110 1.00 0.00 C ATOM 758 O LYS A 52 9.811 -4.907 -2.921 1.00 0.00 O ATOM 759 CB LYS A 52 11.549 -2.905 -4.706 1.00 0.00 C ATOM 760 CG LYS A 52 12.312 -2.809 -6.016 1.00 0.00 C ATOM 761 CD LYS A 52 12.877 -1.418 -6.240 1.00 0.00 C ATOM 762 CE LYS A 52 13.761 -1.371 -7.475 1.00 0.00 C ATOM 763 NZ LYS A 52 13.284 -0.366 -8.464 1.00 0.00 N ATOM 0 H LYS A 52 8.838 -2.852 -3.417 1.00 0.00 H new ATOM 0 HA LYS A 52 10.003 -3.754 -5.920 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.424 -1.905 -4.291 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.139 -3.476 -3.989 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.124 -3.536 -6.017 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.650 -3.070 -6.842 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.060 -0.705 -6.348 1.00 0.00 H new ATOM 0 HD3 LYS A 52 13.453 -1.113 -5.367 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.783 -1.133 -7.180 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.785 -2.356 -7.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.852 -0.437 -9.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.285 -0.547 -8.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.381 0.589 -8.063 1.00 0.00 H new ATOM 777 N SER A 53 10.393 -5.969 -4.827 1.00 0.00 N ATOM 778 CA SER A 53 10.373 -7.312 -4.249 1.00 0.00 C ATOM 779 C SER A 53 8.969 -7.705 -3.796 1.00 0.00 C ATOM 780 O SER A 53 8.805 -8.547 -2.910 1.00 0.00 O ATOM 781 CB SER A 53 11.340 -7.390 -3.065 1.00 0.00 C ATOM 782 OG SER A 53 12.681 -7.178 -3.483 1.00 0.00 O ATOM 0 H SER A 53 10.623 -5.948 -5.820 1.00 0.00 H new ATOM 0 HA SER A 53 10.688 -8.012 -5.023 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.067 -6.644 -2.319 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.255 -8.366 -2.586 1.00 0.00 H new ATOM 0 HG SER A 53 13.105 -6.516 -2.898 1.00 0.00 H new ATOM 788 N GLY A 54 7.962 -7.046 -4.359 1.00 0.00 N ATOM 789 CA GLY A 54 6.592 -7.289 -3.951 1.00 0.00 C ATOM 790 C GLY A 54 6.290 -6.679 -2.596 1.00 0.00 C ATOM 791 O GLY A 54 5.232 -6.919 -2.013 1.00 0.00 O ATOM 0 H GLY A 54 8.071 -6.346 -5.093 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.912 -6.875 -4.696 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.409 -8.363 -3.915 1.00 0.00 H new ATOM 795 N MET A 55 7.228 -5.890 -2.096 1.00 0.00 N ATOM 796 CA MET A 55 7.083 -5.245 -0.804 1.00 0.00 C ATOM 797 C MET A 55 7.163 -3.731 -0.961 1.00 0.00 C ATOM 798 O MET A 55 7.517 -3.226 -2.029 1.00 0.00 O ATOM 799 CB MET A 55 8.157 -5.756 0.171 1.00 0.00 C ATOM 800 CG MET A 55 9.422 -4.911 0.213 1.00 0.00 C ATOM 801 SD MET A 55 10.613 -5.501 1.433 1.00 0.00 S ATOM 802 CE MET A 55 11.875 -6.192 0.364 1.00 0.00 C ATOM 0 H MET A 55 8.105 -5.681 -2.572 1.00 0.00 H new ATOM 0 HA MET A 55 6.105 -5.494 -0.391 1.00 0.00 H new ATOM 0 HB2 MET A 55 7.730 -5.799 1.173 1.00 0.00 H new ATOM 0 HB3 MET A 55 8.425 -6.776 -0.105 1.00 0.00 H new ATOM 0 HG2 MET A 55 9.887 -4.911 -0.773 1.00 0.00 H new ATOM 0 HG3 MET A 55 9.157 -3.878 0.440 1.00 0.00 H new ATOM 0 HE1 MET A 55 12.782 -6.371 0.941 1.00 0.00 H new ATOM 0 HE2 MET A 55 11.521 -7.133 -0.056 1.00 0.00 H new ATOM 0 HE3 MET A 55 12.090 -5.493 -0.444 1.00 0.00 H new ATOM 812 N ILE A 56 6.806 -3.017 0.090 1.00 0.00 N ATOM 813 CA ILE A 56 6.803 -1.563 0.065 1.00 0.00 C ATOM 814 C ILE A 56 7.668 -1.006 1.192 1.00 0.00 C ATOM 815 O ILE A 56 7.429 -1.286 2.370 1.00 0.00 O ATOM 816 CB ILE A 56 5.356 -1.008 0.166 1.00 0.00 C ATOM 817 CG1 ILE A 56 4.738 -0.902 -1.229 1.00 0.00 C ATOM 818 CG2 ILE A 56 5.324 0.349 0.863 1.00 0.00 C ATOM 819 CD1 ILE A 56 3.260 -0.568 -1.222 1.00 0.00 C ATOM 0 H ILE A 56 6.512 -3.422 0.979 1.00 0.00 H new ATOM 0 HA ILE A 56 7.224 -1.241 -0.887 1.00 0.00 H new ATOM 0 HB ILE A 56 4.770 -1.703 0.768 1.00 0.00 H new ATOM 0 HG12 ILE A 56 5.271 -0.137 -1.794 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.885 -1.846 -1.753 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.296 0.707 0.916 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.726 0.250 1.871 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.928 1.061 0.300 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.895 -0.510 -2.248 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.714 -1.344 -0.686 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.106 0.391 -0.728 1.00 0.00 H new ATOM 830 N LEU A 57 8.669 -0.216 0.826 1.00 0.00 N ATOM 831 CA LEU A 57 9.537 0.415 1.807 1.00 0.00 C ATOM 832 C LEU A 57 9.360 1.911 1.808 1.00 0.00 C ATOM 833 O LEU A 57 8.534 2.479 1.087 1.00 0.00 O ATOM 834 CB LEU A 57 11.021 0.125 1.552 1.00 0.00 C ATOM 835 CG LEU A 57 11.474 -1.304 1.819 1.00 0.00 C ATOM 836 CD1 LEU A 57 11.954 -1.960 0.537 1.00 0.00 C ATOM 837 CD2 LEU A 57 12.570 -1.319 2.875 1.00 0.00 C ATOM 0 H LEU A 57 8.899 0.002 -0.144 1.00 0.00 H new ATOM 0 HA LEU A 57 9.247 -0.008 2.769 1.00 0.00 H new ATOM 0 HB2 LEU A 57 11.246 0.369 0.514 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.615 0.796 2.173 1.00 0.00 H new ATOM 0 HG LEU A 57 10.625 -1.875 2.194 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.274 -2.981 0.748 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.141 -1.977 -0.189 1.00 0.00 H new ATOM 0 HD13 LEU A 57 12.792 -1.394 0.130 1.00 0.00 H new ATOM 0 HD21 LEU A 57 12.886 -2.346 3.057 1.00 0.00 H new ATOM 0 HD22 LEU A 57 13.421 -0.735 2.525 1.00 0.00 H new ATOM 0 HD23 LEU A 57 12.190 -0.887 3.800 1.00 0.00 H new ATOM 849 N CYS A 58 10.177 2.509 2.627 1.00 0.00 N ATOM 850 CA CYS A 58 10.225 3.921 2.854 1.00 0.00 C ATOM 851 C CYS A 58 11.237 4.580 1.932 1.00 0.00 C ATOM 852 O CYS A 58 12.302 4.024 1.690 1.00 0.00 O ATOM 853 CB CYS A 58 10.667 4.022 4.287 1.00 0.00 C ATOM 854 SG CYS A 58 11.372 2.418 4.813 1.00 0.00 S ATOM 0 H CYS A 58 10.862 1.996 3.182 1.00 0.00 H new ATOM 0 HA CYS A 58 9.275 4.419 2.661 1.00 0.00 H new ATOM 0 HB2 CYS A 58 11.409 4.813 4.396 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.822 4.288 4.923 1.00 0.00 H new ATOM 859 N ARG A 59 10.973 5.810 1.535 1.00 0.00 N ATOM 860 CA ARG A 59 11.945 6.571 0.759 1.00 0.00 C ATOM 861 C ARG A 59 13.195 6.820 1.603 1.00 0.00 C ATOM 862 O ARG A 59 14.290 7.035 1.086 1.00 0.00 O ATOM 863 CB ARG A 59 11.329 7.902 0.299 1.00 0.00 C ATOM 864 CG ARG A 59 12.328 8.888 -0.291 1.00 0.00 C ATOM 865 CD ARG A 59 12.979 8.336 -1.548 1.00 0.00 C ATOM 866 NE ARG A 59 12.597 9.088 -2.735 1.00 0.00 N ATOM 867 CZ ARG A 59 13.357 10.015 -3.304 1.00 0.00 C ATOM 868 NH1 ARG A 59 14.578 10.259 -2.849 1.00 0.00 N ATOM 869 NH2 ARG A 59 12.896 10.687 -4.348 1.00 0.00 N ATOM 0 H ARG A 59 10.103 6.304 1.733 1.00 0.00 H new ATOM 0 HA ARG A 59 12.226 6.000 -0.126 1.00 0.00 H new ATOM 0 HB2 ARG A 59 10.560 7.694 -0.445 1.00 0.00 H new ATOM 0 HB3 ARG A 59 10.833 8.371 1.148 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.822 9.825 -0.523 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.096 9.115 0.448 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.063 8.361 -1.436 1.00 0.00 H new ATOM 0 HD3 ARG A 59 12.696 7.291 -1.674 1.00 0.00 H new ATOM 0 HE ARG A 59 11.689 8.890 -3.155 1.00 0.00 H new ATOM 0 HH11 ARG A 59 14.941 9.732 -2.055 1.00 0.00 H new ATOM 0 HH12 ARG A 59 15.154 10.974 -3.293 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.963 10.490 -4.709 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.474 11.401 -4.791 1.00 0.00 H new ATOM 883 N ASN A 60 13.018 6.743 2.911 1.00 0.00 N ATOM 884 CA ASN A 60 14.100 6.969 3.850 1.00 0.00 C ATOM 885 C ASN A 60 14.940 5.713 4.072 1.00 0.00 C ATOM 886 O ASN A 60 16.137 5.809 4.338 1.00 0.00 O ATOM 887 CB ASN A 60 13.527 7.437 5.189 1.00 0.00 C ATOM 888 CG ASN A 60 14.598 7.832 6.187 1.00 0.00 C ATOM 889 OD1 ASN A 60 15.170 8.919 6.102 1.00 0.00 O ATOM 890 ND2 ASN A 60 14.877 6.956 7.142 1.00 0.00 N ATOM 0 H ASN A 60 12.124 6.523 3.349 1.00 0.00 H new ATOM 0 HA ASN A 60 14.750 7.734 3.425 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.867 8.287 5.018 1.00 0.00 H new ATOM 0 HB3 ASN A 60 12.917 6.640 5.615 1.00 0.00 H new ATOM 0 HD21 ASN A 60 15.588 7.172 7.841 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.381 6.066 7.178 1.00 0.00 H new ATOM 897 N ASP A 61 14.296 4.551 4.122 1.00 0.00 N ATOM 898 CA ASP A 61 14.988 3.344 4.556 1.00 0.00 C ATOM 899 C ASP A 61 15.260 2.391 3.394 1.00 0.00 C ATOM 900 O ASP A 61 16.123 1.523 3.493 1.00 0.00 O ATOM 901 CB ASP A 61 14.188 2.654 5.664 1.00 0.00 C ATOM 902 CG ASP A 61 14.051 3.523 6.912 1.00 0.00 C ATOM 903 OD1 ASP A 61 15.101 3.953 7.457 1.00 0.00 O ATOM 904 OD2 ASP A 61 12.898 3.815 7.333 1.00 0.00 O ATOM 0 H ASP A 61 13.316 4.420 3.873 1.00 0.00 H new ATOM 0 HA ASP A 61 15.960 3.636 4.953 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.196 2.403 5.289 1.00 0.00 H new ATOM 0 HB3 ASP A 61 14.675 1.716 5.930 1.00 0.00 H new ATOM 909 N TYR A 62 14.587 2.613 2.268 1.00 0.00 N ATOM 910 CA TYR A 62 14.840 1.844 1.046 1.00 0.00 C ATOM 911 C TYR A 62 16.318 1.920 0.660 1.00 0.00 C ATOM 912 O TYR A 62 16.881 0.971 0.120 1.00 0.00 O ATOM 913 CB TYR A 62 13.966 2.387 -0.092 1.00 0.00 C ATOM 914 CG TYR A 62 14.396 1.982 -1.486 1.00 0.00 C ATOM 915 CD1 TYR A 62 13.991 0.773 -2.031 1.00 0.00 C ATOM 916 CD2 TYR A 62 15.185 2.822 -2.266 1.00 0.00 C ATOM 917 CE1 TYR A 62 14.358 0.409 -3.311 1.00 0.00 C ATOM 918 CE2 TYR A 62 15.562 2.463 -3.545 1.00 0.00 C ATOM 919 CZ TYR A 62 15.144 1.256 -4.065 1.00 0.00 C ATOM 920 OH TYR A 62 15.508 0.895 -5.346 1.00 0.00 O ATOM 0 H TYR A 62 13.859 3.321 2.173 1.00 0.00 H new ATOM 0 HA TYR A 62 14.588 0.799 1.227 1.00 0.00 H new ATOM 0 HB2 TYR A 62 12.941 2.051 0.067 1.00 0.00 H new ATOM 0 HB3 TYR A 62 13.957 3.475 -0.034 1.00 0.00 H new ATOM 0 HD1 TYR A 62 13.378 0.105 -1.444 1.00 0.00 H new ATOM 0 HD2 TYR A 62 15.508 3.771 -1.864 1.00 0.00 H new ATOM 0 HE1 TYR A 62 14.031 -0.535 -3.721 1.00 0.00 H new ATOM 0 HE2 TYR A 62 16.181 3.123 -4.135 1.00 0.00 H new ATOM 0 HH TYR A 62 14.927 1.349 -5.991 1.00 0.00 H new ATOM 930 N ILE A 63 16.946 3.045 0.986 1.00 0.00 N ATOM 931 CA ILE A 63 18.358 3.266 0.679 1.00 0.00 C ATOM 932 C ILE A 63 19.265 2.367 1.524 1.00 0.00 C ATOM 933 O ILE A 63 20.432 2.165 1.194 1.00 0.00 O ATOM 934 CB ILE A 63 18.768 4.740 0.900 1.00 0.00 C ATOM 935 CG1 ILE A 63 17.554 5.672 0.766 1.00 0.00 C ATOM 936 CG2 ILE A 63 19.867 5.141 -0.075 1.00 0.00 C ATOM 937 CD1 ILE A 63 17.024 5.800 -0.649 1.00 0.00 C ATOM 0 H ILE A 63 16.497 3.824 1.467 1.00 0.00 H new ATOM 0 HA ILE A 63 18.484 3.015 -0.374 1.00 0.00 H new ATOM 0 HB ILE A 63 19.157 4.837 1.914 1.00 0.00 H new ATOM 0 HG12 ILE A 63 16.755 5.305 1.410 1.00 0.00 H new ATOM 0 HG13 ILE A 63 17.828 6.662 1.131 1.00 0.00 H new ATOM 0 HG21 ILE A 63 20.143 6.182 0.095 1.00 0.00 H new ATOM 0 HG22 ILE A 63 20.739 4.505 0.078 1.00 0.00 H new ATOM 0 HG23 ILE A 63 19.507 5.024 -1.097 1.00 0.00 H new ATOM 0 HD11 ILE A 63 16.168 6.475 -0.657 1.00 0.00 H new ATOM 0 HD12 ILE A 63 17.806 6.198 -1.296 1.00 0.00 H new ATOM 0 HD13 ILE A 63 16.716 4.819 -1.012 1.00 0.00 H new ATOM 948 N ARG A 64 18.716 1.796 2.587 1.00 0.00 N ATOM 949 CA ARG A 64 19.469 0.882 3.439 1.00 0.00 C ATOM 950 C ARG A 64 19.144 -0.569 3.075 1.00 0.00 C ATOM 951 O ARG A 64 19.750 -1.509 3.593 1.00 0.00 O ATOM 952 CB ARG A 64 19.177 1.173 4.924 1.00 0.00 C ATOM 953 CG ARG A 64 18.203 0.208 5.587 1.00 0.00 C ATOM 954 CD ARG A 64 17.279 0.918 6.566 1.00 0.00 C ATOM 955 NE ARG A 64 18.010 1.752 7.522 1.00 0.00 N ATOM 956 CZ ARG A 64 17.725 1.830 8.821 1.00 0.00 C ATOM 957 NH1 ARG A 64 16.726 1.120 9.337 1.00 0.00 N ATOM 958 NH2 ARG A 64 18.442 2.622 9.605 1.00 0.00 N ATOM 0 H ARG A 64 17.751 1.949 2.881 1.00 0.00 H new ATOM 0 HA ARG A 64 20.535 1.036 3.274 1.00 0.00 H new ATOM 0 HB2 ARG A 64 20.117 1.153 5.475 1.00 0.00 H new ATOM 0 HB3 ARG A 64 18.779 2.184 5.010 1.00 0.00 H new ATOM 0 HG2 ARG A 64 17.608 -0.290 4.822 1.00 0.00 H new ATOM 0 HG3 ARG A 64 18.761 -0.568 6.112 1.00 0.00 H new ATOM 0 HD2 ARG A 64 16.575 1.538 6.011 1.00 0.00 H new ATOM 0 HD3 ARG A 64 16.692 0.177 7.109 1.00 0.00 H new ATOM 0 HE ARG A 64 18.788 2.310 7.170 1.00 0.00 H new ATOM 0 HH11 ARG A 64 16.171 0.510 8.737 1.00 0.00 H new ATOM 0 HH12 ARG A 64 16.515 1.186 10.333 1.00 0.00 H new ATOM 0 HH21 ARG A 64 19.209 3.169 9.213 1.00 0.00 H new ATOM 0 HH22 ARG A 64 18.227 2.685 10.600 1.00 0.00 H new ATOM 972 N LEU A 65 18.228 -0.733 2.130 1.00 0.00 N ATOM 973 CA LEU A 65 17.835 -2.055 1.658 1.00 0.00 C ATOM 974 C LEU A 65 18.336 -2.292 0.236 1.00 0.00 C ATOM 975 O LEU A 65 18.939 -3.322 -0.059 1.00 0.00 O ATOM 976 CB LEU A 65 16.310 -2.195 1.699 1.00 0.00 C ATOM 977 CG LEU A 65 15.750 -3.048 2.843 1.00 0.00 C ATOM 978 CD1 LEU A 65 16.382 -4.431 2.846 1.00 0.00 C ATOM 979 CD2 LEU A 65 15.966 -2.354 4.181 1.00 0.00 C ATOM 0 H LEU A 65 17.740 0.037 1.673 1.00 0.00 H new ATOM 0 HA LEU A 65 18.284 -2.801 2.314 1.00 0.00 H new ATOM 0 HB2 LEU A 65 15.874 -1.198 1.767 1.00 0.00 H new ATOM 0 HB3 LEU A 65 15.978 -2.625 0.754 1.00 0.00 H new ATOM 0 HG LEU A 65 14.678 -3.167 2.687 1.00 0.00 H new ATOM 0 HD11 LEU A 65 15.969 -5.018 3.666 1.00 0.00 H new ATOM 0 HD12 LEU A 65 16.170 -4.930 1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 65 17.461 -4.338 2.973 1.00 0.00 H new ATOM 0 HD21 LEU A 65 15.562 -2.974 4.982 1.00 0.00 H new ATOM 0 HD22 LEU A 65 17.033 -2.201 4.343 1.00 0.00 H new ATOM 0 HD23 LEU A 65 15.458 -1.390 4.177 1.00 0.00 H new ATOM 991 N PHE A 66 18.052 -1.344 -0.649 1.00 0.00 N ATOM 992 CA PHE A 66 18.437 -1.456 -2.051 1.00 0.00 C ATOM 993 C PHE A 66 19.154 -0.190 -2.505 1.00 0.00 C ATOM 994 O PHE A 66 19.016 0.241 -3.649 1.00 0.00 O ATOM 995 CB PHE A 66 17.204 -1.687 -2.932 1.00 0.00 C ATOM 996 CG PHE A 66 16.320 -2.815 -2.479 1.00 0.00 C ATOM 997 CD1 PHE A 66 16.583 -4.115 -2.872 1.00 0.00 C ATOM 998 CD2 PHE A 66 15.226 -2.573 -1.663 1.00 0.00 C ATOM 999 CE1 PHE A 66 15.772 -5.154 -2.460 1.00 0.00 C ATOM 1000 CE2 PHE A 66 14.413 -3.610 -1.247 1.00 0.00 C ATOM 1001 CZ PHE A 66 14.687 -4.902 -1.645 1.00 0.00 C ATOM 0 H PHE A 66 17.554 -0.484 -0.419 1.00 0.00 H new ATOM 0 HA PHE A 66 19.110 -2.308 -2.151 1.00 0.00 H new ATOM 0 HB2 PHE A 66 16.616 -0.770 -2.961 1.00 0.00 H new ATOM 0 HB3 PHE A 66 17.533 -1.887 -3.952 1.00 0.00 H new ATOM 0 HD1 PHE A 66 17.432 -4.320 -3.508 1.00 0.00 H new ATOM 0 HD2 PHE A 66 15.007 -1.563 -1.349 1.00 0.00 H new ATOM 0 HE1 PHE A 66 15.987 -6.164 -2.776 1.00 0.00 H new ATOM 0 HE2 PHE A 66 13.564 -3.409 -0.611 1.00 0.00 H new ATOM 0 HZ PHE A 66 14.054 -5.714 -1.320 1.00 0.00 H new ATOM 1011 N GLY A 67 19.907 0.411 -1.601 1.00 0.00 N ATOM 1012 CA GLY A 67 20.607 1.634 -1.929 1.00 0.00 C ATOM 1013 C GLY A 67 22.065 1.591 -1.536 1.00 0.00 C ATOM 1014 O GLY A 67 22.632 0.515 -1.347 1.00 0.00 O ATOM 0 H GLY A 67 20.047 0.076 -0.648 1.00 0.00 H new ATOM 0 HA2 GLY A 67 20.528 1.817 -3.001 1.00 0.00 H new ATOM 0 HA3 GLY A 67 20.123 2.471 -1.426 1.00 0.00 H new ATOM 1018 N ASN A 68 22.672 2.762 -1.422 1.00 0.00 N ATOM 1019 CA ASN A 68 24.081 2.875 -1.069 1.00 0.00 C ATOM 1020 C ASN A 68 24.299 4.081 -0.162 1.00 0.00 C ATOM 1021 O ASN A 68 23.342 4.761 0.212 1.00 0.00 O ATOM 1022 CB ASN A 68 24.945 2.997 -2.329 1.00 0.00 C ATOM 1023 CG ASN A 68 24.272 3.793 -3.433 1.00 0.00 C ATOM 1024 OD1 ASN A 68 23.956 4.971 -3.267 1.00 0.00 O ATOM 1025 ND2 ASN A 68 24.047 3.151 -4.570 1.00 0.00 N ATOM 0 H ASN A 68 22.206 3.657 -1.570 1.00 0.00 H new ATOM 0 HA ASN A 68 24.377 1.972 -0.535 1.00 0.00 H new ATOM 0 HB2 ASN A 68 25.891 3.473 -2.070 1.00 0.00 H new ATOM 0 HB3 ASN A 68 25.181 1.999 -2.699 1.00 0.00 H new ATOM 0 HD21 ASN A 68 23.597 3.634 -5.348 1.00 0.00 H new ATOM 0 HD22 ASN A 68 24.324 2.174 -4.668 1.00 0.00 H new ATOM 1032 N SER A 69 25.549 4.338 0.202 1.00 0.00 N ATOM 1033 CA SER A 69 25.871 5.455 1.080 1.00 0.00 C ATOM 1034 C SER A 69 26.094 6.731 0.278 1.00 0.00 C ATOM 1035 O SER A 69 25.652 7.809 0.677 1.00 0.00 O ATOM 1036 CB SER A 69 27.115 5.128 1.907 1.00 0.00 C ATOM 1037 OG SER A 69 27.184 3.737 2.173 1.00 0.00 O ATOM 0 H SER A 69 26.355 3.789 -0.097 1.00 0.00 H new ATOM 0 HA SER A 69 25.028 5.618 1.751 1.00 0.00 H new ATOM 0 HB2 SER A 69 28.009 5.446 1.371 1.00 0.00 H new ATOM 0 HB3 SER A 69 27.091 5.683 2.845 1.00 0.00 H new ATOM 0 HG SER A 69 27.987 3.544 2.701 1.00 0.00 H new ATOM 1043 N GLY A 70 26.762 6.597 -0.862 1.00 0.00 N ATOM 1044 CA GLY A 70 27.028 7.739 -1.717 1.00 0.00 C ATOM 1045 C GLY A 70 25.834 8.109 -2.571 1.00 0.00 C ATOM 1046 O GLY A 70 25.919 8.140 -3.800 1.00 0.00 O ATOM 0 H GLY A 70 27.127 5.711 -1.211 1.00 0.00 H new ATOM 0 HA2 GLY A 70 27.310 8.593 -1.101 1.00 0.00 H new ATOM 0 HA3 GLY A 70 27.878 7.517 -2.362 1.00 0.00 H new ATOM 1050 N ALA A 71 24.721 8.399 -1.923 1.00 0.00 N ATOM 1051 CA ALA A 71 23.509 8.778 -2.622 1.00 0.00 C ATOM 1052 C ALA A 71 23.152 10.225 -2.317 1.00 0.00 C ATOM 1053 O ALA A 71 22.934 10.587 -1.162 1.00 0.00 O ATOM 1054 CB ALA A 71 22.366 7.851 -2.237 1.00 0.00 C ATOM 0 H ALA A 71 24.632 8.379 -0.907 1.00 0.00 H new ATOM 0 HA ALA A 71 23.681 8.686 -3.694 1.00 0.00 H new ATOM 0 HB1 ALA A 71 21.462 8.147 -2.769 1.00 0.00 H new ATOM 0 HB2 ALA A 71 22.624 6.826 -2.502 1.00 0.00 H new ATOM 0 HB3 ALA A 71 22.192 7.915 -1.163 1.00 0.00 H new ATOM 1060 N GLY A 72 23.090 11.044 -3.354 1.00 0.00 N ATOM 1061 CA GLY A 72 22.742 12.438 -3.183 1.00 0.00 C ATOM 1062 C GLY A 72 22.008 12.981 -4.384 1.00 0.00 C ATOM 1063 O GLY A 72 22.065 12.390 -5.466 1.00 0.00 O ATOM 0 H GLY A 72 23.276 10.766 -4.318 1.00 0.00 H new ATOM 0 HA2 GLY A 72 22.121 12.552 -2.295 1.00 0.00 H new ATOM 0 HA3 GLY A 72 23.647 13.021 -3.015 1.00 0.00 H new ATOM 1067 N GLY A 73 21.326 14.104 -4.205 1.00 0.00 N ATOM 1068 CA GLY A 73 20.597 14.714 -5.300 1.00 0.00 C ATOM 1069 C GLY A 73 21.498 15.546 -6.190 1.00 0.00 C ATOM 1070 O GLY A 73 21.373 16.770 -6.240 1.00 0.00 O ATOM 0 H GLY A 73 21.264 14.605 -3.319 1.00 0.00 H new ATOM 0 HA2 GLY A 73 20.119 13.936 -5.895 1.00 0.00 H new ATOM 0 HA3 GLY A 73 19.802 15.343 -4.900 1.00 0.00 H new ATOM 1074 N SER A 74 22.448 14.884 -6.832 1.00 0.00 N ATOM 1075 CA SER A 74 23.443 15.556 -7.653 1.00 0.00 C ATOM 1076 C SER A 74 22.839 16.119 -8.937 1.00 0.00 C ATOM 1077 O SER A 74 23.324 17.115 -9.473 1.00 0.00 O ATOM 1078 CB SER A 74 24.561 14.573 -7.989 1.00 0.00 C ATOM 1079 OG SER A 74 24.318 13.311 -7.380 1.00 0.00 O ATOM 0 H SER A 74 22.551 13.870 -6.799 1.00 0.00 H new ATOM 0 HA SER A 74 23.839 16.398 -7.086 1.00 0.00 H new ATOM 0 HB2 SER A 74 24.634 14.453 -9.070 1.00 0.00 H new ATOM 0 HB3 SER A 74 25.517 14.970 -7.647 1.00 0.00 H new ATOM 0 HG SER A 74 23.679 12.803 -7.923 1.00 0.00 H new ATOM 1085 N GLY A 75 21.797 15.476 -9.435 1.00 0.00 N ATOM 1086 CA GLY A 75 21.190 15.919 -10.672 1.00 0.00 C ATOM 1087 C GLY A 75 19.844 16.569 -10.457 1.00 0.00 C ATOM 1088 O GLY A 75 19.088 16.172 -9.566 1.00 0.00 O ATOM 0 H GLY A 75 21.361 14.659 -9.008 1.00 0.00 H new ATOM 0 HA2 GLY A 75 21.856 16.626 -11.167 1.00 0.00 H new ATOM 0 HA3 GLY A 75 21.075 15.067 -11.342 1.00 0.00 H new ATOM 1092 N GLY A 76 19.525 17.534 -11.304 1.00 0.00 N ATOM 1093 CA GLY A 76 18.245 18.206 -11.234 1.00 0.00 C ATOM 1094 C GLY A 76 17.142 17.406 -11.895 1.00 0.00 C ATOM 1095 O GLY A 76 16.512 17.865 -12.846 1.00 0.00 O ATOM 0 H GLY A 76 20.138 17.867 -12.048 1.00 0.00 H new ATOM 0 HA2 GLY A 76 17.987 18.384 -10.190 1.00 0.00 H new ATOM 0 HA3 GLY A 76 18.322 19.181 -11.714 1.00 0.00 H new ATOM 1099 N HIS A 77 16.898 16.209 -11.386 1.00 0.00 N ATOM 1100 CA HIS A 77 15.846 15.354 -11.918 1.00 0.00 C ATOM 1101 C HIS A 77 15.037 14.742 -10.781 1.00 0.00 C ATOM 1102 O HIS A 77 14.491 13.648 -10.908 1.00 0.00 O ATOM 1103 CB HIS A 77 16.426 14.259 -12.831 1.00 0.00 C ATOM 1104 CG HIS A 77 17.438 13.364 -12.177 1.00 0.00 C ATOM 1105 ND1 HIS A 77 18.797 13.570 -12.274 1.00 0.00 N ATOM 1106 CD2 HIS A 77 17.283 12.246 -11.430 1.00 0.00 C ATOM 1107 CE1 HIS A 77 19.433 12.617 -11.618 1.00 0.00 C ATOM 1108 NE2 HIS A 77 18.537 11.802 -11.096 1.00 0.00 N ATOM 0 H HIS A 77 17.414 15.806 -10.604 1.00 0.00 H new ATOM 0 HA HIS A 77 15.181 15.969 -12.524 1.00 0.00 H new ATOM 0 HB2 HIS A 77 15.606 13.645 -13.204 1.00 0.00 H new ATOM 0 HB3 HIS A 77 16.888 14.734 -13.696 1.00 0.00 H new ATOM 0 HD2 HIS A 77 16.346 11.788 -11.149 1.00 0.00 H new ATOM 0 HE1 HIS A 77 20.505 12.521 -11.525 1.00 0.00 H new ATOM 0 HE2 HIS A 77 18.743 10.976 -10.535 1.00 0.00 H new ATOM 1117 N MET A 78 14.938 15.477 -9.680 1.00 0.00 N ATOM 1118 CA MET A 78 14.152 15.040 -8.536 1.00 0.00 C ATOM 1119 C MET A 78 12.675 15.308 -8.790 1.00 0.00 C ATOM 1120 O MET A 78 12.161 16.373 -8.447 1.00 0.00 O ATOM 1121 CB MET A 78 14.609 15.771 -7.270 1.00 0.00 C ATOM 1122 CG MET A 78 14.305 15.025 -5.980 1.00 0.00 C ATOM 1123 SD MET A 78 14.897 15.881 -4.496 1.00 0.00 S ATOM 1124 CE MET A 78 15.789 17.276 -5.191 1.00 0.00 C ATOM 0 H MET A 78 15.394 16.381 -9.556 1.00 0.00 H new ATOM 0 HA MET A 78 14.300 13.969 -8.394 1.00 0.00 H new ATOM 0 HB2 MET A 78 15.683 15.946 -7.332 1.00 0.00 H new ATOM 0 HB3 MET A 78 14.128 16.749 -7.234 1.00 0.00 H new ATOM 0 HG2 MET A 78 13.228 14.877 -5.900 1.00 0.00 H new ATOM 0 HG3 MET A 78 14.760 14.036 -6.025 1.00 0.00 H new ATOM 0 HE1 MET A 78 16.187 17.892 -4.384 1.00 0.00 H new ATOM 0 HE2 MET A 78 16.610 16.912 -5.809 1.00 0.00 H new ATOM 0 HE3 MET A 78 15.112 17.873 -5.802 1.00 0.00 H new ATOM 1134 N GLY A 79 12.025 14.383 -9.480 1.00 0.00 N ATOM 1135 CA GLY A 79 10.632 14.565 -9.837 1.00 0.00 C ATOM 1136 C GLY A 79 9.713 14.399 -8.647 1.00 0.00 C ATOM 1137 O GLY A 79 8.912 15.284 -8.340 1.00 0.00 O ATOM 0 H GLY A 79 12.438 13.507 -9.800 1.00 0.00 H new ATOM 0 HA2 GLY A 79 10.495 15.558 -10.265 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.359 13.845 -10.609 1.00 0.00 H new ATOM 1141 N SER A 80 9.832 13.268 -7.973 1.00 0.00 N ATOM 1142 CA SER A 80 9.016 12.986 -6.808 1.00 0.00 C ATOM 1143 C SER A 80 9.579 13.683 -5.573 1.00 0.00 C ATOM 1144 O SER A 80 10.713 13.422 -5.159 1.00 0.00 O ATOM 1145 CB SER A 80 8.955 11.480 -6.579 1.00 0.00 C ATOM 1146 OG SER A 80 9.639 10.780 -7.610 1.00 0.00 O ATOM 0 H SER A 80 10.490 12.527 -8.216 1.00 0.00 H new ATOM 0 HA SER A 80 8.010 13.366 -6.984 1.00 0.00 H new ATOM 0 HB2 SER A 80 9.399 11.237 -5.613 1.00 0.00 H new ATOM 0 HB3 SER A 80 7.915 11.156 -6.543 1.00 0.00 H new ATOM 0 HG SER A 80 10.455 10.378 -7.246 1.00 0.00 H new ATOM 1152 N GLY A 81 8.798 14.589 -5.008 1.00 0.00 N ATOM 1153 CA GLY A 81 9.237 15.325 -3.845 1.00 0.00 C ATOM 1154 C GLY A 81 8.198 16.313 -3.382 1.00 0.00 C ATOM 1155 O GLY A 81 7.189 16.521 -4.060 1.00 0.00 O ATOM 0 H GLY A 81 7.863 14.828 -5.337 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.461 14.628 -3.037 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.162 15.853 -4.077 1.00 0.00 H new ATOM 1159 N GLY A 82 8.437 16.915 -2.226 1.00 0.00 N ATOM 1160 CA GLY A 82 7.510 17.887 -1.686 1.00 0.00 C ATOM 1161 C GLY A 82 7.475 19.160 -2.506 1.00 0.00 C ATOM 1162 O GLY A 82 6.476 19.455 -3.167 1.00 0.00 O ATOM 0 H GLY A 82 9.262 16.746 -1.650 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.511 17.453 -1.649 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.792 18.125 -0.660 1.00 0.00 H new ATOM 1166 N ASP A 83 8.584 19.884 -2.519 1.00 0.00 N ATOM 1167 CA ASP A 83 8.692 21.108 -3.299 1.00 0.00 C ATOM 1168 C ASP A 83 10.143 21.367 -3.662 1.00 0.00 C ATOM 1169 O ASP A 83 11.051 20.903 -2.974 1.00 0.00 O ATOM 1170 CB ASP A 83 8.137 22.297 -2.508 1.00 0.00 C ATOM 1171 CG ASP A 83 7.682 23.437 -3.400 1.00 0.00 C ATOM 1172 OD1 ASP A 83 8.531 24.062 -4.063 1.00 0.00 O ATOM 1173 OD2 ASP A 83 6.465 23.719 -3.439 1.00 0.00 O ATOM 0 H ASP A 83 9.426 19.644 -1.996 1.00 0.00 H new ATOM 0 HA ASP A 83 8.109 20.989 -4.212 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.298 21.962 -1.898 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.903 22.661 -1.823 1.00 0.00 H new ATOM 1178 N VAL A 84 10.353 22.159 -4.700 1.00 0.00 N ATOM 1179 CA VAL A 84 11.695 22.548 -5.103 1.00 0.00 C ATOM 1180 C VAL A 84 12.242 23.600 -4.142 1.00 0.00 C ATOM 1181 O VAL A 84 13.430 23.603 -3.818 1.00 0.00 O ATOM 1182 CB VAL A 84 11.724 23.107 -6.544 1.00 0.00 C ATOM 1183 CG1 VAL A 84 13.129 23.026 -7.122 1.00 0.00 C ATOM 1184 CG2 VAL A 84 10.741 22.361 -7.436 1.00 0.00 C ATOM 0 H VAL A 84 9.609 22.546 -5.281 1.00 0.00 H new ATOM 0 HA VAL A 84 12.318 21.654 -5.074 1.00 0.00 H new ATOM 0 HB VAL A 84 11.424 24.154 -6.505 1.00 0.00 H new ATOM 0 HG11 VAL A 84 13.129 23.424 -8.137 1.00 0.00 H new ATOM 0 HG12 VAL A 84 13.811 23.609 -6.504 1.00 0.00 H new ATOM 0 HG13 VAL A 84 13.455 21.986 -7.140 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.780 22.773 -8.444 1.00 0.00 H new ATOM 0 HG22 VAL A 84 11.006 21.304 -7.465 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.732 22.471 -7.038 1.00 0.00 H new ATOM 1194 N MET A 85 11.347 24.428 -3.617 1.00 0.00 N ATOM 1195 CA MET A 85 11.721 25.434 -2.631 1.00 0.00 C ATOM 1196 C MET A 85 11.213 25.036 -1.249 1.00 0.00 C ATOM 1197 O MET A 85 10.404 25.738 -0.639 1.00 0.00 O ATOM 1198 CB MET A 85 11.175 26.818 -3.024 1.00 0.00 C ATOM 1199 CG MET A 85 9.732 26.798 -3.505 1.00 0.00 C ATOM 1200 SD MET A 85 8.993 28.441 -3.584 1.00 0.00 S ATOM 1201 CE MET A 85 8.705 28.599 -5.345 1.00 0.00 C ATOM 0 H MET A 85 10.356 24.422 -3.858 1.00 0.00 H new ATOM 0 HA MET A 85 12.809 25.494 -2.601 1.00 0.00 H new ATOM 0 HB2 MET A 85 11.252 27.485 -2.166 1.00 0.00 H new ATOM 0 HB3 MET A 85 11.804 27.236 -3.810 1.00 0.00 H new ATOM 0 HG2 MET A 85 9.690 26.339 -4.493 1.00 0.00 H new ATOM 0 HG3 MET A 85 9.141 26.171 -2.837 1.00 0.00 H new ATOM 0 HE1 MET A 85 8.250 29.567 -5.554 1.00 0.00 H new ATOM 0 HE2 MET A 85 9.653 28.522 -5.877 1.00 0.00 H new ATOM 0 HE3 MET A 85 8.037 27.804 -5.677 1.00 0.00 H new ATOM 1211 N VAL A 86 11.657 23.877 -0.781 1.00 0.00 N ATOM 1212 CA VAL A 86 11.229 23.353 0.513 1.00 0.00 C ATOM 1213 C VAL A 86 11.815 24.164 1.666 1.00 0.00 C ATOM 1214 O VAL A 86 13.003 24.044 1.986 1.00 0.00 O ATOM 1215 CB VAL A 86 11.618 21.870 0.697 1.00 0.00 C ATOM 1216 CG1 VAL A 86 10.424 20.973 0.411 1.00 0.00 C ATOM 1217 CG2 VAL A 86 12.801 21.495 -0.185 1.00 0.00 C ATOM 0 H VAL A 86 12.316 23.279 -1.279 1.00 0.00 H new ATOM 0 HA VAL A 86 10.142 23.435 0.527 1.00 0.00 H new ATOM 0 HB VAL A 86 11.922 21.725 1.734 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.712 19.930 0.544 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.613 21.216 1.098 1.00 0.00 H new ATOM 0 HG13 VAL A 86 10.089 21.129 -0.615 1.00 0.00 H new ATOM 0 HG21 VAL A 86 13.050 20.445 -0.032 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.541 21.658 -1.231 1.00 0.00 H new ATOM 0 HG23 VAL A 86 13.660 22.113 0.076 1.00 0.00 H new ATOM 1227 N VAL A 87 10.959 24.970 2.296 1.00 0.00 N ATOM 1228 CA VAL A 87 11.345 25.819 3.421 1.00 0.00 C ATOM 1229 C VAL A 87 12.533 26.707 3.047 1.00 0.00 C ATOM 1230 O VAL A 87 12.416 27.566 2.171 1.00 0.00 O ATOM 1231 CB VAL A 87 11.664 24.998 4.699 1.00 0.00 C ATOM 1232 CG1 VAL A 87 11.486 25.858 5.944 1.00 0.00 C ATOM 1233 CG2 VAL A 87 10.779 23.759 4.785 1.00 0.00 C ATOM 0 H VAL A 87 9.975 25.052 2.038 1.00 0.00 H new ATOM 0 HA VAL A 87 10.487 26.452 3.649 1.00 0.00 H new ATOM 0 HB VAL A 87 12.703 24.675 4.641 1.00 0.00 H new ATOM 0 HG11 VAL A 87 11.714 25.266 6.831 1.00 0.00 H new ATOM 0 HG12 VAL A 87 12.160 26.713 5.895 1.00 0.00 H new ATOM 0 HG13 VAL A 87 10.456 26.211 5.998 1.00 0.00 H new ATOM 0 HG21 VAL A 87 11.022 23.201 5.689 1.00 0.00 H new ATOM 0 HG22 VAL A 87 9.732 24.061 4.815 1.00 0.00 H new ATOM 0 HG23 VAL A 87 10.950 23.129 3.912 1.00 0.00 H new ATOM 1243 N GLY A 88 13.676 26.469 3.674 1.00 0.00 N ATOM 1244 CA GLY A 88 14.867 27.235 3.366 1.00 0.00 C ATOM 1245 C GLY A 88 16.114 26.385 3.443 1.00 0.00 C ATOM 1246 O GLY A 88 17.144 26.822 3.957 1.00 0.00 O ATOM 0 H GLY A 88 13.800 25.756 4.393 1.00 0.00 H new ATOM 0 HA2 GLY A 88 14.778 27.660 2.366 1.00 0.00 H new ATOM 0 HA3 GLY A 88 14.952 28.070 4.061 1.00 0.00 H new ATOM 1250 N GLU A 89 16.007 25.153 2.968 1.00 0.00 N ATOM 1251 CA GLU A 89 17.119 24.218 3.004 1.00 0.00 C ATOM 1252 C GLU A 89 17.433 23.712 1.601 1.00 0.00 C ATOM 1253 O GLU A 89 16.704 22.885 1.051 1.00 0.00 O ATOM 1254 CB GLU A 89 16.797 23.046 3.928 1.00 0.00 C ATOM 1255 CG GLU A 89 16.783 23.419 5.400 1.00 0.00 C ATOM 1256 CD GLU A 89 15.387 23.688 5.918 1.00 0.00 C ATOM 1257 OE1 GLU A 89 14.604 22.725 6.047 1.00 0.00 O ATOM 1258 OE2 GLU A 89 15.070 24.858 6.211 1.00 0.00 O ATOM 0 H GLU A 89 15.156 24.777 2.551 1.00 0.00 H new ATOM 0 HA GLU A 89 17.996 24.737 3.391 1.00 0.00 H new ATOM 0 HB2 GLU A 89 15.824 22.636 3.656 1.00 0.00 H new ATOM 0 HB3 GLU A 89 17.531 22.256 3.769 1.00 0.00 H new ATOM 0 HG2 GLU A 89 17.233 22.613 5.980 1.00 0.00 H new ATOM 0 HG3 GLU A 89 17.400 24.304 5.553 1.00 0.00 H new ATOM 1265 N PRO A 90 18.491 24.261 0.985 1.00 0.00 N ATOM 1266 CA PRO A 90 18.881 23.936 -0.394 1.00 0.00 C ATOM 1267 C PRO A 90 19.151 22.450 -0.608 1.00 0.00 C ATOM 1268 O PRO A 90 20.118 21.900 -0.079 1.00 0.00 O ATOM 1269 CB PRO A 90 20.167 24.744 -0.604 1.00 0.00 C ATOM 1270 CG PRO A 90 20.087 25.856 0.380 1.00 0.00 C ATOM 1271 CD PRO A 90 19.360 25.300 1.570 1.00 0.00 C ATOM 0 HA PRO A 90 18.083 24.176 -1.097 1.00 0.00 H new ATOM 0 HB2 PRO A 90 21.051 24.130 -0.435 1.00 0.00 H new ATOM 0 HB3 PRO A 90 20.233 25.123 -1.624 1.00 0.00 H new ATOM 0 HG2 PRO A 90 21.082 26.204 0.658 1.00 0.00 H new ATOM 0 HG3 PRO A 90 19.555 26.711 -0.038 1.00 0.00 H new ATOM 0 HD2 PRO A 90 20.050 24.881 2.303 1.00 0.00 H new ATOM 0 HD3 PRO A 90 18.780 26.068 2.081 1.00 0.00 H new ATOM 1279 N THR A 91 18.304 21.823 -1.421 1.00 0.00 N ATOM 1280 CA THR A 91 18.448 20.413 -1.787 1.00 0.00 C ATOM 1281 C THR A 91 18.437 19.491 -0.561 1.00 0.00 C ATOM 1282 O THR A 91 18.936 18.366 -0.617 1.00 0.00 O ATOM 1283 CB THR A 91 19.737 20.162 -2.606 1.00 0.00 C ATOM 1284 OG1 THR A 91 20.243 21.397 -3.136 1.00 0.00 O ATOM 1285 CG2 THR A 91 19.472 19.195 -3.751 1.00 0.00 C ATOM 0 H THR A 91 17.496 22.278 -1.846 1.00 0.00 H new ATOM 0 HA THR A 91 17.583 20.175 -2.406 1.00 0.00 H new ATOM 0 HB THR A 91 20.477 19.725 -1.936 1.00 0.00 H new ATOM 0 HG1 THR A 91 21.059 21.223 -3.650 1.00 0.00 H new ATOM 0 HG21 THR A 91 20.393 19.034 -4.312 1.00 0.00 H new ATOM 0 HG22 THR A 91 19.121 18.244 -3.350 1.00 0.00 H new ATOM 0 HG23 THR A 91 18.713 19.613 -4.412 1.00 0.00 H new ATOM 1293 N LEU A 92 17.812 19.942 0.522 1.00 0.00 N ATOM 1294 CA LEU A 92 17.706 19.130 1.730 1.00 0.00 C ATOM 1295 C LEU A 92 16.397 18.351 1.730 1.00 0.00 C ATOM 1296 O LEU A 92 15.650 18.352 2.711 1.00 0.00 O ATOM 1297 CB LEU A 92 17.804 20.006 2.977 1.00 0.00 C ATOM 1298 CG LEU A 92 18.872 19.581 3.983 1.00 0.00 C ATOM 1299 CD1 LEU A 92 20.138 20.402 3.794 1.00 0.00 C ATOM 1300 CD2 LEU A 92 18.349 19.718 5.403 1.00 0.00 C ATOM 0 H LEU A 92 17.373 20.860 0.589 1.00 0.00 H new ATOM 0 HA LEU A 92 18.534 18.421 1.743 1.00 0.00 H new ATOM 0 HB2 LEU A 92 18.006 21.031 2.667 1.00 0.00 H new ATOM 0 HB3 LEU A 92 16.836 20.009 3.477 1.00 0.00 H new ATOM 0 HG LEU A 92 19.115 18.533 3.808 1.00 0.00 H new ATOM 0 HD11 LEU A 92 20.888 20.086 4.519 1.00 0.00 H new ATOM 0 HD12 LEU A 92 20.522 20.251 2.785 1.00 0.00 H new ATOM 0 HD13 LEU A 92 19.912 21.458 3.942 1.00 0.00 H new ATOM 0 HD21 LEU A 92 19.123 19.411 6.107 1.00 0.00 H new ATOM 0 HD22 LEU A 92 18.078 20.757 5.592 1.00 0.00 H new ATOM 0 HD23 LEU A 92 17.471 19.085 5.530 1.00 0.00 H new ATOM 1312 N MET A 93 16.140 17.668 0.629 1.00 0.00 N ATOM 1313 CA MET A 93 14.949 16.843 0.489 1.00 0.00 C ATOM 1314 C MET A 93 15.351 15.461 0.001 1.00 0.00 C ATOM 1315 O MET A 93 16.520 15.234 -0.318 1.00 0.00 O ATOM 1316 CB MET A 93 13.965 17.489 -0.492 1.00 0.00 C ATOM 1317 CG MET A 93 12.505 17.198 -0.181 1.00 0.00 C ATOM 1318 SD MET A 93 11.367 17.990 -1.339 1.00 0.00 S ATOM 1319 CE MET A 93 12.172 17.657 -2.909 1.00 0.00 C ATOM 0 H MET A 93 16.747 17.668 -0.191 1.00 0.00 H new ATOM 0 HA MET A 93 14.456 16.755 1.457 1.00 0.00 H new ATOM 0 HB2 MET A 93 14.119 18.568 -0.488 1.00 0.00 H new ATOM 0 HB3 MET A 93 14.189 17.138 -1.500 1.00 0.00 H new ATOM 0 HG2 MET A 93 12.343 16.120 -0.200 1.00 0.00 H new ATOM 0 HG3 MET A 93 12.280 17.536 0.830 1.00 0.00 H new ATOM 0 HE1 MET A 93 11.467 17.826 -3.723 1.00 0.00 H new ATOM 0 HE2 MET A 93 13.028 18.321 -3.027 1.00 0.00 H new ATOM 0 HE3 MET A 93 12.511 16.621 -2.932 1.00 0.00 H new ATOM 1329 N GLY A 94 14.402 14.537 -0.033 1.00 0.00 N ATOM 1330 CA GLY A 94 14.696 13.194 -0.489 1.00 0.00 C ATOM 1331 C GLY A 94 14.982 13.147 -1.977 1.00 0.00 C ATOM 1332 O GLY A 94 14.066 13.216 -2.796 1.00 0.00 O ATOM 0 H GLY A 94 13.434 14.693 0.247 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.556 12.806 0.057 1.00 0.00 H new ATOM 0 HA3 GLY A 94 13.853 12.542 -0.261 1.00 0.00 H new ATOM 1336 N GLY A 95 16.253 13.040 -2.333 1.00 0.00 N ATOM 1337 CA GLY A 95 16.636 12.997 -3.728 1.00 0.00 C ATOM 1338 C GLY A 95 17.904 12.205 -3.931 1.00 0.00 C ATOM 1339 O GLY A 95 18.538 12.287 -4.983 1.00 0.00 O ATOM 0 H GLY A 95 17.031 12.982 -1.675 1.00 0.00 H new ATOM 0 HA2 GLY A 95 15.831 12.553 -4.313 1.00 0.00 H new ATOM 0 HA3 GLY A 95 16.777 14.012 -4.099 1.00 0.00 H new ATOM 1343 N GLU A 96 18.256 11.419 -2.922 1.00 0.00 N ATOM 1344 CA GLU A 96 19.455 10.599 -2.960 1.00 0.00 C ATOM 1345 C GLU A 96 19.301 9.470 -3.972 1.00 0.00 C ATOM 1346 O GLU A 96 20.270 9.049 -4.603 1.00 0.00 O ATOM 1347 CB GLU A 96 19.750 10.036 -1.565 1.00 0.00 C ATOM 1348 CG GLU A 96 18.752 8.988 -1.094 1.00 0.00 C ATOM 1349 CD GLU A 96 17.536 9.596 -0.430 1.00 0.00 C ATOM 1350 OE1 GLU A 96 16.642 10.083 -1.150 1.00 0.00 O ATOM 1351 OE2 GLU A 96 17.478 9.602 0.812 1.00 0.00 O ATOM 0 H GLU A 96 17.720 11.333 -2.059 1.00 0.00 H new ATOM 0 HA GLU A 96 20.294 11.221 -3.271 1.00 0.00 H new ATOM 0 HB2 GLU A 96 20.748 9.598 -1.565 1.00 0.00 H new ATOM 0 HB3 GLU A 96 19.763 10.858 -0.849 1.00 0.00 H new ATOM 0 HG2 GLU A 96 18.433 8.387 -1.946 1.00 0.00 H new ATOM 0 HG3 GLU A 96 19.244 8.313 -0.394 1.00 0.00 H new ATOM 1358 N PHE A 97 18.069 9.020 -4.160 1.00 0.00 N ATOM 1359 CA PHE A 97 17.780 7.978 -5.126 1.00 0.00 C ATOM 1360 C PHE A 97 16.793 8.481 -6.169 1.00 0.00 C ATOM 1361 O PHE A 97 15.763 9.066 -5.836 1.00 0.00 O ATOM 1362 CB PHE A 97 17.216 6.742 -4.425 1.00 0.00 C ATOM 1363 CG PHE A 97 18.030 5.501 -4.657 1.00 0.00 C ATOM 1364 CD1 PHE A 97 19.191 5.274 -3.938 1.00 0.00 C ATOM 1365 CD2 PHE A 97 17.633 4.563 -5.595 1.00 0.00 C ATOM 1366 CE1 PHE A 97 19.940 4.135 -4.150 1.00 0.00 C ATOM 1367 CE2 PHE A 97 18.378 3.421 -5.812 1.00 0.00 C ATOM 1368 CZ PHE A 97 19.532 3.207 -5.088 1.00 0.00 C ATOM 0 H PHE A 97 17.253 9.363 -3.653 1.00 0.00 H new ATOM 0 HA PHE A 97 18.710 7.705 -5.625 1.00 0.00 H new ATOM 0 HB2 PHE A 97 17.159 6.935 -3.354 1.00 0.00 H new ATOM 0 HB3 PHE A 97 16.197 6.570 -4.772 1.00 0.00 H new ATOM 0 HD1 PHE A 97 19.514 5.996 -3.203 1.00 0.00 H new ATOM 0 HD2 PHE A 97 16.730 4.727 -6.164 1.00 0.00 H new ATOM 0 HE1 PHE A 97 20.844 3.969 -3.583 1.00 0.00 H new ATOM 0 HE2 PHE A 97 18.058 2.697 -6.547 1.00 0.00 H new ATOM 0 HZ PHE A 97 20.116 2.314 -5.254 1.00 0.00 H new ATOM 1378 N GLY A 98 17.122 8.256 -7.432 1.00 0.00 N ATOM 1379 CA GLY A 98 16.255 8.668 -8.517 1.00 0.00 C ATOM 1380 C GLY A 98 15.464 7.502 -9.066 1.00 0.00 C ATOM 1381 O GLY A 98 14.955 7.554 -10.187 1.00 0.00 O ATOM 0 H GLY A 98 17.981 7.792 -7.727 1.00 0.00 H new ATOM 0 HA2 GLY A 98 15.571 9.440 -8.165 1.00 0.00 H new ATOM 0 HA3 GLY A 98 16.852 9.111 -9.314 1.00 0.00 H new ATOM 1385 N ASP A 99 15.378 6.446 -8.269 1.00 0.00 N ATOM 1386 CA ASP A 99 14.656 5.241 -8.652 1.00 0.00 C ATOM 1387 C ASP A 99 13.165 5.523 -8.740 1.00 0.00 C ATOM 1388 O ASP A 99 12.529 5.873 -7.743 1.00 0.00 O ATOM 1389 CB ASP A 99 14.923 4.126 -7.643 1.00 0.00 C ATOM 1390 CG ASP A 99 14.577 2.755 -8.180 1.00 0.00 C ATOM 1391 OD1 ASP A 99 14.764 2.519 -9.392 1.00 0.00 O ATOM 1392 OD2 ASP A 99 14.124 1.902 -7.390 1.00 0.00 O ATOM 0 H ASP A 99 15.804 6.400 -7.344 1.00 0.00 H new ATOM 0 HA ASP A 99 15.007 4.920 -9.633 1.00 0.00 H new ATOM 0 HB2 ASP A 99 15.975 4.145 -7.358 1.00 0.00 H new ATOM 0 HB3 ASP A 99 14.344 4.314 -6.739 1.00 0.00 H new ATOM 1397 N GLU A 100 12.632 5.444 -9.947 1.00 0.00 N ATOM 1398 CA GLU A 100 11.234 5.773 -10.199 1.00 0.00 C ATOM 1399 C GLU A 100 10.314 4.617 -9.823 1.00 0.00 C ATOM 1400 O GLU A 100 9.447 4.217 -10.599 1.00 0.00 O ATOM 1401 CB GLU A 100 11.038 6.153 -11.666 1.00 0.00 C ATOM 1402 CG GLU A 100 11.551 7.543 -12.004 1.00 0.00 C ATOM 1403 CD GLU A 100 12.712 7.522 -12.979 1.00 0.00 C ATOM 1404 OE1 GLU A 100 13.224 6.424 -13.283 1.00 0.00 O ATOM 1405 OE2 GLU A 100 13.111 8.603 -13.459 1.00 0.00 O ATOM 0 H GLU A 100 13.149 5.153 -10.776 1.00 0.00 H new ATOM 0 HA GLU A 100 10.971 6.625 -9.572 1.00 0.00 H new ATOM 0 HB2 GLU A 100 11.549 5.423 -12.294 1.00 0.00 H new ATOM 0 HB3 GLU A 100 9.977 6.096 -11.910 1.00 0.00 H new ATOM 0 HG2 GLU A 100 10.738 8.132 -12.428 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.862 8.043 -11.087 1.00 0.00 H new ATOM 1412 N ASP A 101 10.471 4.130 -8.607 1.00 0.00 N ATOM 1413 CA ASP A 101 9.613 3.073 -8.082 1.00 0.00 C ATOM 1414 C ASP A 101 8.949 3.545 -6.799 1.00 0.00 C ATOM 1415 O ASP A 101 8.408 2.750 -6.026 1.00 0.00 O ATOM 1416 CB ASP A 101 10.426 1.804 -7.815 1.00 0.00 C ATOM 1417 CG ASP A 101 9.857 0.590 -8.521 1.00 0.00 C ATOM 1418 OD1 ASP A 101 8.621 0.492 -8.656 1.00 0.00 O ATOM 1419 OD2 ASP A 101 10.657 -0.271 -8.955 1.00 0.00 O ATOM 0 H ASP A 101 11.189 4.449 -7.956 1.00 0.00 H new ATOM 0 HA ASP A 101 8.847 2.842 -8.822 1.00 0.00 H new ATOM 0 HB2 ASP A 101 11.455 1.960 -8.140 1.00 0.00 H new ATOM 0 HB3 ASP A 101 10.456 1.615 -6.742 1.00 0.00 H new ATOM 1424 N GLU A 102 9.063 4.841 -6.546 1.00 0.00 N ATOM 1425 CA GLU A 102 8.519 5.443 -5.342 1.00 0.00 C ATOM 1426 C GLU A 102 7.199 6.150 -5.636 1.00 0.00 C ATOM 1427 O GLU A 102 6.574 5.907 -6.672 1.00 0.00 O ATOM 1428 CB GLU A 102 9.516 6.435 -4.751 1.00 0.00 C ATOM 1429 CG GLU A 102 10.234 7.271 -5.794 1.00 0.00 C ATOM 1430 CD GLU A 102 10.597 8.645 -5.288 1.00 0.00 C ATOM 1431 OE1 GLU A 102 10.260 8.968 -4.128 1.00 0.00 O ATOM 1432 OE2 GLU A 102 11.230 9.412 -6.044 1.00 0.00 O ATOM 0 H GLU A 102 9.533 5.500 -7.167 1.00 0.00 H new ATOM 0 HA GLU A 102 8.333 4.648 -4.620 1.00 0.00 H new ATOM 0 HB2 GLU A 102 8.991 7.099 -4.064 1.00 0.00 H new ATOM 0 HB3 GLU A 102 10.255 5.889 -4.164 1.00 0.00 H new ATOM 0 HG2 GLU A 102 11.140 6.753 -6.109 1.00 0.00 H new ATOM 0 HG3 GLU A 102 9.600 7.368 -6.675 1.00 0.00 H new ATOM 1439 N ARG A 103 6.852 7.107 -4.773 1.00 0.00 N ATOM 1440 CA ARG A 103 5.675 7.956 -4.959 1.00 0.00 C ATOM 1441 C ARG A 103 4.388 7.142 -5.057 1.00 0.00 C ATOM 1442 O ARG A 103 3.404 7.595 -5.637 1.00 0.00 O ATOM 1443 CB ARG A 103 5.835 8.828 -6.208 1.00 0.00 C ATOM 1444 CG ARG A 103 5.887 10.315 -5.905 1.00 0.00 C ATOM 1445 CD ARG A 103 4.514 10.862 -5.563 1.00 0.00 C ATOM 1446 NE ARG A 103 4.543 11.707 -4.373 1.00 0.00 N ATOM 1447 CZ ARG A 103 3.490 12.382 -3.916 1.00 0.00 C ATOM 1448 NH1 ARG A 103 2.331 12.331 -4.561 1.00 0.00 N ATOM 1449 NH2 ARG A 103 3.598 13.122 -2.821 1.00 0.00 N ATOM 0 H ARG A 103 7.380 7.315 -3.925 1.00 0.00 H new ATOM 0 HA ARG A 103 5.598 8.593 -4.078 1.00 0.00 H new ATOM 0 HB2 ARG A 103 6.748 8.539 -6.729 1.00 0.00 H new ATOM 0 HB3 ARG A 103 5.005 8.632 -6.887 1.00 0.00 H new ATOM 0 HG2 ARG A 103 6.568 10.494 -5.073 1.00 0.00 H new ATOM 0 HG3 ARG A 103 6.288 10.849 -6.766 1.00 0.00 H new ATOM 0 HD2 ARG A 103 4.132 11.437 -6.407 1.00 0.00 H new ATOM 0 HD3 ARG A 103 3.823 10.034 -5.403 1.00 0.00 H new ATOM 0 HE ARG A 103 5.422 11.785 -3.861 1.00 0.00 H new ATOM 0 HH11 ARG A 103 2.244 11.773 -5.410 1.00 0.00 H new ATOM 0 HH12 ARG A 103 1.527 12.850 -4.207 1.00 0.00 H new ATOM 0 HH21 ARG A 103 4.489 13.175 -2.327 1.00 0.00 H new ATOM 0 HH22 ARG A 103 2.790 13.638 -2.473 1.00 0.00 H new ATOM 1463 N LEU A 104 4.389 5.953 -4.472 1.00 0.00 N ATOM 1464 CA LEU A 104 3.222 5.083 -4.519 1.00 0.00 C ATOM 1465 C LEU A 104 2.267 5.374 -3.365 1.00 0.00 C ATOM 1466 O LEU A 104 1.605 4.473 -2.852 1.00 0.00 O ATOM 1467 CB LEU A 104 3.651 3.615 -4.495 1.00 0.00 C ATOM 1468 CG LEU A 104 2.683 2.653 -5.182 1.00 0.00 C ATOM 1469 CD1 LEU A 104 3.055 2.476 -6.645 1.00 0.00 C ATOM 1470 CD2 LEU A 104 2.669 1.314 -4.465 1.00 0.00 C ATOM 0 H LEU A 104 5.183 5.569 -3.960 1.00 0.00 H new ATOM 0 HA LEU A 104 2.693 5.282 -5.451 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.627 3.529 -4.972 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.775 3.304 -3.458 1.00 0.00 H new ATOM 0 HG LEU A 104 1.680 3.078 -5.135 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.355 1.788 -7.118 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.013 3.441 -7.150 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.065 2.073 -6.717 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.975 0.640 -4.967 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.670 0.882 -4.481 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.353 1.458 -3.432 1.00 0.00 H new ATOM 1482 N ILE A 105 2.148 6.642 -3.001 1.00 0.00 N ATOM 1483 CA ILE A 105 1.194 7.043 -1.980 1.00 0.00 C ATOM 1484 C ILE A 105 0.166 7.998 -2.564 1.00 0.00 C ATOM 1485 O ILE A 105 0.433 9.188 -2.746 1.00 0.00 O ATOM 1486 CB ILE A 105 1.870 7.703 -0.755 1.00 0.00 C ATOM 1487 CG1 ILE A 105 2.826 6.712 -0.084 1.00 0.00 C ATOM 1488 CG2 ILE A 105 0.814 8.189 0.237 1.00 0.00 C ATOM 1489 CD1 ILE A 105 3.464 7.231 1.186 1.00 0.00 C ATOM 0 H ILE A 105 2.697 7.406 -3.395 1.00 0.00 H new ATOM 0 HA ILE A 105 0.706 6.131 -1.635 1.00 0.00 H new ATOM 0 HB ILE A 105 2.445 8.565 -1.092 1.00 0.00 H new ATOM 0 HG12 ILE A 105 2.281 5.796 0.144 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.612 6.447 -0.791 1.00 0.00 H new ATOM 0 HG21 ILE A 105 1.305 8.651 1.094 1.00 0.00 H new ATOM 0 HG22 ILE A 105 0.168 8.920 -0.249 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.215 7.343 0.575 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.126 6.469 1.598 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.039 8.130 0.963 1.00 0.00 H new ATOM 0 HD13 ILE A 105 2.687 7.468 1.913 1.00 0.00 H new ATOM 1500 N THR A 106 -1.013 7.476 -2.831 1.00 0.00 N ATOM 1501 CA THR A 106 -2.110 8.285 -3.312 1.00 0.00 C ATOM 1502 C THR A 106 -3.114 8.481 -2.181 1.00 0.00 C ATOM 1503 O THR A 106 -3.696 7.522 -1.677 1.00 0.00 O ATOM 1504 CB THR A 106 -2.772 7.633 -4.544 1.00 0.00 C ATOM 1505 OG1 THR A 106 -1.884 7.723 -5.666 1.00 0.00 O ATOM 1506 CG2 THR A 106 -4.100 8.295 -4.887 1.00 0.00 C ATOM 0 H THR A 106 -1.236 6.487 -2.721 1.00 0.00 H new ATOM 0 HA THR A 106 -1.735 9.259 -3.627 1.00 0.00 H new ATOM 0 HB THR A 106 -2.972 6.588 -4.306 1.00 0.00 H new ATOM 0 HG1 THR A 106 -2.303 7.308 -6.449 1.00 0.00 H new ATOM 0 HG21 THR A 106 -4.535 7.808 -5.760 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.782 8.202 -4.042 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.935 9.350 -5.105 1.00 0.00 H new ATOM 1514 N ARG A 107 -3.181 9.697 -1.671 1.00 0.00 N ATOM 1515 CA ARG A 107 -3.991 9.989 -0.503 1.00 0.00 C ATOM 1516 C ARG A 107 -5.277 10.687 -0.902 1.00 0.00 C ATOM 1517 O ARG A 107 -5.301 11.902 -1.096 1.00 0.00 O ATOM 1518 CB ARG A 107 -3.208 10.862 0.477 1.00 0.00 C ATOM 1519 CG ARG A 107 -3.094 10.266 1.868 1.00 0.00 C ATOM 1520 CD ARG A 107 -4.219 10.741 2.769 1.00 0.00 C ATOM 1521 NE ARG A 107 -3.995 10.353 4.162 1.00 0.00 N ATOM 1522 CZ ARG A 107 -4.614 9.335 4.764 1.00 0.00 C ATOM 1523 NH1 ARG A 107 -5.499 8.600 4.101 1.00 0.00 N ATOM 1524 NH2 ARG A 107 -4.339 9.043 6.031 1.00 0.00 N ATOM 0 H ARG A 107 -2.682 10.502 -2.050 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.244 9.046 -0.018 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -2.207 11.030 0.080 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -3.691 11.837 0.547 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -3.114 9.178 1.802 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -2.135 10.541 2.306 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -4.306 11.826 2.702 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -5.164 10.324 2.422 1.00 0.00 H new ATOM 0 HE ARG A 107 -3.324 10.894 4.707 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -5.709 8.812 3.126 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -5.968 7.824 4.567 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -3.654 9.597 6.545 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -4.813 8.265 6.489 1.00 0.00 H new ATOM 1538 N LEU A 108 -6.353 9.925 -0.978 1.00 0.00 N ATOM 1539 CA LEU A 108 -7.645 10.498 -1.281 1.00 0.00 C ATOM 1540 C LEU A 108 -8.615 10.252 -0.136 1.00 0.00 C ATOM 1541 O LEU A 108 -9.257 9.204 -0.053 1.00 0.00 O ATOM 1542 CB LEU A 108 -8.199 9.915 -2.582 1.00 0.00 C ATOM 1543 CG LEU A 108 -8.335 10.912 -3.733 1.00 0.00 C ATOM 1544 CD1 LEU A 108 -7.070 10.928 -4.580 1.00 0.00 C ATOM 1545 CD2 LEU A 108 -9.548 10.573 -4.585 1.00 0.00 C ATOM 0 H LEU A 108 -6.355 8.915 -0.835 1.00 0.00 H new ATOM 0 HA LEU A 108 -7.523 11.574 -1.409 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -7.550 9.100 -2.902 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -9.178 9.481 -2.380 1.00 0.00 H new ATOM 0 HG LEU A 108 -8.476 11.908 -3.314 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -7.186 11.644 -5.394 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -6.221 11.218 -3.961 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -6.896 9.934 -4.993 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -9.632 11.291 -5.400 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -9.435 9.570 -4.995 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -10.447 10.615 -3.971 1.00 0.00 H new ATOM 1557 N GLU A 109 -8.807 11.276 0.667 1.00 0.00 N ATOM 1558 CA GLU A 109 -9.813 11.259 1.707 1.00 0.00 C ATOM 1559 C GLU A 109 -10.955 12.148 1.260 1.00 0.00 C ATOM 1560 O GLU A 109 -10.727 13.124 0.557 1.00 0.00 O ATOM 1561 CB GLU A 109 -9.231 11.762 3.032 1.00 0.00 C ATOM 1562 CG GLU A 109 -8.285 10.781 3.707 1.00 0.00 C ATOM 1563 CD GLU A 109 -7.760 11.304 5.031 1.00 0.00 C ATOM 1564 OE1 GLU A 109 -7.322 12.474 5.080 1.00 0.00 O ATOM 1565 OE2 GLU A 109 -7.797 10.558 6.033 1.00 0.00 O ATOM 0 H GLU A 109 -8.271 12.143 0.618 1.00 0.00 H new ATOM 0 HA GLU A 109 -10.166 10.241 1.871 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -8.700 12.697 2.852 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -10.051 11.988 3.714 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -8.802 9.836 3.872 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -7.446 10.573 3.043 1.00 0.00 H new ATOM 1572 N ASN A 110 -12.184 11.763 1.557 1.00 0.00 N ATOM 1573 CA ASN A 110 -13.343 12.491 1.044 1.00 0.00 C ATOM 1574 C ASN A 110 -13.479 13.881 1.665 1.00 0.00 C ATOM 1575 O ASN A 110 -14.377 14.641 1.307 1.00 0.00 O ATOM 1576 CB ASN A 110 -14.618 11.680 1.250 1.00 0.00 C ATOM 1577 CG ASN A 110 -14.918 10.813 0.044 1.00 0.00 C ATOM 1578 OD1 ASN A 110 -14.491 9.661 -0.031 1.00 0.00 O ATOM 1579 ND2 ASN A 110 -15.651 11.359 -0.908 1.00 0.00 N ATOM 0 H ASN A 110 -12.409 10.960 2.144 1.00 0.00 H new ATOM 0 HA ASN A 110 -13.185 12.635 -0.025 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -14.514 11.053 2.135 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -15.455 12.354 1.434 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -15.883 10.823 -1.744 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -15.986 12.317 -0.808 1.00 0.00 H new ATOM 1586 N THR A 111 -12.492 14.263 2.464 1.00 0.00 N ATOM 1587 CA THR A 111 -12.404 15.611 2.999 1.00 0.00 C ATOM 1588 C THR A 111 -11.779 16.556 1.968 1.00 0.00 C ATOM 1589 O THR A 111 -11.679 17.761 2.192 1.00 0.00 O ATOM 1590 CB THR A 111 -11.558 15.622 4.280 1.00 0.00 C ATOM 1591 OG1 THR A 111 -10.890 14.358 4.416 1.00 0.00 O ATOM 1592 CG2 THR A 111 -12.428 15.879 5.502 1.00 0.00 C ATOM 0 H THR A 111 -11.733 13.648 2.758 1.00 0.00 H new ATOM 0 HA THR A 111 -13.413 15.952 3.231 1.00 0.00 H new ATOM 0 HB THR A 111 -10.824 16.424 4.209 1.00 0.00 H new ATOM 0 HG1 THR A 111 -11.534 13.676 4.700 1.00 0.00 H new ATOM 0 HG21 THR A 111 -11.806 15.882 6.397 1.00 0.00 H new ATOM 0 HG22 THR A 111 -12.922 16.845 5.400 1.00 0.00 H new ATOM 0 HG23 THR A 111 -13.180 15.094 5.585 1.00 0.00 H new ATOM 1600 N GLN A 112 -11.371 15.990 0.832 1.00 0.00 N ATOM 1601 CA GLN A 112 -10.780 16.761 -0.258 1.00 0.00 C ATOM 1602 C GLN A 112 -11.870 17.457 -1.080 1.00 0.00 C ATOM 1603 O GLN A 112 -12.973 17.704 -0.582 1.00 0.00 O ATOM 1604 CB GLN A 112 -9.933 15.843 -1.158 1.00 0.00 C ATOM 1605 CG GLN A 112 -10.731 14.743 -1.851 1.00 0.00 C ATOM 1606 CD GLN A 112 -10.551 14.735 -3.356 1.00 0.00 C ATOM 1607 OE1 GLN A 112 -9.908 15.617 -3.924 1.00 0.00 O ATOM 1608 NE2 GLN A 112 -11.128 13.742 -4.012 1.00 0.00 N ATOM 0 H GLN A 112 -11.441 14.990 0.644 1.00 0.00 H new ATOM 0 HA GLN A 112 -10.133 17.527 0.170 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -9.438 16.451 -1.916 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -9.149 15.384 -0.556 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -10.429 13.776 -1.450 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -11.788 14.868 -1.618 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -11.652 13.031 -3.502 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -11.049 13.687 -5.027 1.00 0.00 H new ATOM 1617 N PHE A 113 -11.585 17.708 -2.351 1.00 0.00 N ATOM 1618 CA PHE A 113 -12.554 18.319 -3.255 1.00 0.00 C ATOM 1619 C PHE A 113 -13.561 17.275 -3.738 1.00 0.00 C ATOM 1620 O PHE A 113 -13.603 16.926 -4.920 1.00 0.00 O ATOM 1621 CB PHE A 113 -11.841 18.966 -4.450 1.00 0.00 C ATOM 1622 CG PHE A 113 -10.388 19.269 -4.201 1.00 0.00 C ATOM 1623 CD1 PHE A 113 -10.010 20.224 -3.267 1.00 0.00 C ATOM 1624 CD2 PHE A 113 -9.397 18.595 -4.897 1.00 0.00 C ATOM 1625 CE1 PHE A 113 -8.675 20.497 -3.033 1.00 0.00 C ATOM 1626 CE2 PHE A 113 -8.061 18.864 -4.668 1.00 0.00 C ATOM 1627 CZ PHE A 113 -7.701 19.816 -3.735 1.00 0.00 C ATOM 0 H PHE A 113 -10.685 17.497 -2.782 1.00 0.00 H new ATOM 0 HA PHE A 113 -13.091 19.096 -2.712 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -11.921 18.303 -5.311 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -12.356 19.891 -4.711 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -10.768 20.761 -2.716 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -9.673 17.849 -5.628 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -8.395 21.242 -2.302 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -7.300 18.331 -5.218 1.00 0.00 H new ATOM 0 HZ PHE A 113 -6.657 20.028 -3.555 1.00 0.00 H new ATOM 1637 N ASP A 114 -14.347 16.767 -2.801 1.00 0.00 N ATOM 1638 CA ASP A 114 -15.358 15.754 -3.080 1.00 0.00 C ATOM 1639 C ASP A 114 -16.462 15.862 -2.037 1.00 0.00 C ATOM 1640 O ASP A 114 -16.429 16.758 -1.190 1.00 0.00 O ATOM 1641 CB ASP A 114 -14.738 14.347 -3.045 1.00 0.00 C ATOM 1642 CG ASP A 114 -15.407 13.367 -3.999 1.00 0.00 C ATOM 1643 OD1 ASP A 114 -16.639 13.180 -3.914 1.00 0.00 O ATOM 1644 OD2 ASP A 114 -14.699 12.768 -4.831 1.00 0.00 O ATOM 0 H ASP A 114 -14.303 17.046 -1.821 1.00 0.00 H new ATOM 0 HA ASP A 114 -15.769 15.919 -4.076 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -13.679 14.419 -3.293 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -14.802 13.955 -2.030 1.00 0.00 H new ATOM 1649 N ALA A 115 -17.382 14.913 -2.044 1.00 0.00 N ATOM 1650 CA ALA A 115 -18.428 14.857 -1.035 1.00 0.00 C ATOM 1651 C ALA A 115 -17.863 14.287 0.257 1.00 0.00 C ATOM 1652 O ALA A 115 -17.285 13.201 0.256 1.00 0.00 O ATOM 1653 CB ALA A 115 -19.597 14.016 -1.524 1.00 0.00 C ATOM 0 H ALA A 115 -17.427 14.168 -2.739 1.00 0.00 H new ATOM 0 HA ALA A 115 -18.794 15.866 -0.847 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -20.370 13.986 -0.756 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -20.006 14.456 -2.433 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -19.254 13.003 -1.734 1.00 0.00 H new ATOM 1659 N ALA A 116 -17.958 15.053 1.336 1.00 0.00 N ATOM 1660 CA ALA A 116 -17.380 14.655 2.614 1.00 0.00 C ATOM 1661 C ALA A 116 -18.045 13.397 3.166 1.00 0.00 C ATOM 1662 O ALA A 116 -17.437 12.652 3.935 1.00 0.00 O ATOM 1663 CB ALA A 116 -17.482 15.791 3.619 1.00 0.00 C ATOM 0 H ALA A 116 -18.431 15.956 1.352 1.00 0.00 H new ATOM 0 HA ALA A 116 -16.328 14.426 2.443 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -17.046 15.478 4.568 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -16.943 16.660 3.242 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -18.530 16.051 3.769 1.00 0.00 H new ATOM 1669 N ASN A 117 -19.297 13.172 2.784 1.00 0.00 N ATOM 1670 CA ASN A 117 -20.043 12.010 3.261 1.00 0.00 C ATOM 1671 C ASN A 117 -19.461 10.718 2.698 1.00 0.00 C ATOM 1672 O ASN A 117 -19.449 9.689 3.371 1.00 0.00 O ATOM 1673 CB ASN A 117 -21.522 12.117 2.882 1.00 0.00 C ATOM 1674 CG ASN A 117 -22.393 11.183 3.703 1.00 0.00 C ATOM 1675 OD1 ASN A 117 -22.529 11.346 4.916 1.00 0.00 O ATOM 1676 ND2 ASN A 117 -22.990 10.204 3.049 1.00 0.00 N ATOM 0 H ASN A 117 -19.817 13.776 2.147 1.00 0.00 H new ATOM 0 HA ASN A 117 -19.958 11.989 4.347 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -21.858 13.144 3.024 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -21.642 11.886 1.823 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -23.590 9.548 3.549 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -22.851 10.103 2.043 1.00 0.00 H new ATOM 1683 N GLY A 118 -18.947 10.785 1.479 1.00 0.00 N ATOM 1684 CA GLY A 118 -18.348 9.619 0.866 1.00 0.00 C ATOM 1685 C GLY A 118 -18.307 9.721 -0.643 1.00 0.00 C ATOM 1686 O GLY A 118 -18.969 10.579 -1.233 1.00 0.00 O ATOM 0 H GLY A 118 -18.934 11.627 0.903 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -17.335 9.491 1.247 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -18.911 8.731 1.153 1.00 0.00 H new ATOM 1690 N ILE A 119 -17.545 8.836 -1.270 1.00 0.00 N ATOM 1691 CA ILE A 119 -17.444 8.808 -2.726 1.00 0.00 C ATOM 1692 C ILE A 119 -18.623 8.055 -3.316 1.00 0.00 C ATOM 1693 O ILE A 119 -19.004 8.275 -4.465 1.00 0.00 O ATOM 1694 CB ILE A 119 -16.127 8.163 -3.228 1.00 0.00 C ATOM 1695 CG1 ILE A 119 -15.574 7.150 -2.219 1.00 0.00 C ATOM 1696 CG2 ILE A 119 -15.093 9.236 -3.521 1.00 0.00 C ATOM 1697 CD1 ILE A 119 -15.945 5.716 -2.533 1.00 0.00 C ATOM 0 H ILE A 119 -16.987 8.127 -0.795 1.00 0.00 H new ATOM 0 HA ILE A 119 -17.449 9.846 -3.057 1.00 0.00 H new ATOM 0 HB ILE A 119 -16.351 7.624 -4.149 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -14.488 7.237 -2.188 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -15.942 7.402 -1.225 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -14.173 8.769 -3.873 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -15.475 9.909 -4.289 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -14.888 9.802 -2.612 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -15.519 5.056 -1.777 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -17.030 5.613 -2.535 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -15.553 5.445 -3.513 1.00 0.00 H new ATOM 1708 N ASP A 120 -19.235 7.207 -2.498 1.00 0.00 N ATOM 1709 CA ASP A 120 -20.415 6.459 -2.910 1.00 0.00 C ATOM 1710 C ASP A 120 -21.653 7.349 -2.843 1.00 0.00 C ATOM 1711 O ASP A 120 -22.505 7.197 -1.962 1.00 0.00 O ATOM 1712 CB ASP A 120 -20.604 5.226 -2.028 1.00 0.00 C ATOM 1713 CG ASP A 120 -21.685 4.302 -2.549 1.00 0.00 C ATOM 1714 OD1 ASP A 120 -21.962 4.324 -3.763 1.00 0.00 O ATOM 1715 OD2 ASP A 120 -22.259 3.541 -1.743 1.00 0.00 O ATOM 0 H ASP A 120 -18.932 7.020 -1.542 1.00 0.00 H new ATOM 0 HA ASP A 120 -20.273 6.129 -3.939 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -19.663 4.680 -1.965 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -20.857 5.542 -1.016 1.00 0.00 H new ATOM 1720 N ASP A 121 -21.710 8.317 -3.743 1.00 0.00 N ATOM 1721 CA ASP A 121 -22.812 9.266 -3.790 1.00 0.00 C ATOM 1722 C ASP A 121 -23.410 9.306 -5.189 1.00 0.00 C ATOM 1723 O ASP A 121 -22.754 9.741 -6.137 1.00 0.00 O ATOM 1724 CB ASP A 121 -22.333 10.663 -3.383 1.00 0.00 C ATOM 1725 CG ASP A 121 -23.423 11.711 -3.492 1.00 0.00 C ATOM 1726 OD1 ASP A 121 -24.488 11.537 -2.859 1.00 0.00 O ATOM 1727 OD2 ASP A 121 -23.220 12.716 -4.204 1.00 0.00 O ATOM 0 H ASP A 121 -20.998 8.467 -4.458 1.00 0.00 H new ATOM 0 HA ASP A 121 -23.579 8.942 -3.086 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -21.966 10.632 -2.357 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -21.492 10.952 -4.014 1.00 0.00 H new ATOM 1732 N GLU A 122 -24.624 8.776 -5.313 1.00 0.00 N ATOM 1733 CA GLU A 122 -25.316 8.681 -6.596 1.00 0.00 C ATOM 1734 C GLU A 122 -24.558 7.763 -7.552 1.00 0.00 C ATOM 1735 O GLU A 122 -24.091 6.694 -7.106 1.00 0.00 O ATOM 1736 CB GLU A 122 -25.504 10.069 -7.222 1.00 0.00 C ATOM 1737 CG GLU A 122 -26.871 10.675 -6.956 1.00 0.00 C ATOM 1738 CD GLU A 122 -27.997 9.692 -7.186 1.00 0.00 C ATOM 1739 OE1 GLU A 122 -28.185 9.252 -8.340 1.00 0.00 O ATOM 1740 OE2 GLU A 122 -28.698 9.352 -6.214 1.00 0.00 O ATOM 1741 OXT GLU A 122 -24.427 8.110 -8.741 1.00 0.00 O ATOM 0 H GLU A 122 -25.156 8.400 -4.528 1.00 0.00 H new ATOM 0 HA GLU A 122 -26.302 8.252 -6.415 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -24.737 10.740 -6.835 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -25.351 9.997 -8.299 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -26.911 11.034 -5.928 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -27.012 11.541 -7.602 1.00 0.00 H new TER 1748 GLU A 122 HETATM 1749 ZN ZN A 123 -5.114 -1.668 7.422 1.00 0.00 ZN HETATM 1750 ZN ZN A 124 11.448 2.432 7.030 1.00 0.00 ZN