USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 716 hydrogens (11 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: B 238 NLE HN2 : B 238 NLE N : B 237 LEU C :(H bumps) USER MOD NoAdj-H: B 238 NLE H : B 238 NLE N : B 237 LEU C :(H bumps) USER MOD Set 1.1: A 61 ASN : amide:sc= 0.585 K(o=1.8,f=-1.7) USER MOD Set 1.2: A 62 THR OG1 : rot 51:sc= 1.18 USER MOD Set 2.1: A 54 SER OG : rot -63:sc= 1.1 USER MOD Set 2.2: A 59 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 49 THR OG1 : rot 129:sc= 0.57 USER MOD Set 3.2: A 57 TYR OH : rot 180:sc= 0.514 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS :FLIP no HE2:sc= -0.333 F(o=-1.2,f=-0.33) USER MOD Single : A 48 THR OG1 : rot -160:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.0443 X(o=-0.044,f=-0.053) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.371 USER MOD Single : A 63 THR OG1 : rot -149:sc= 0.879! USER MOD Single : A 66 GLN : amide:sc= -0.485 K(o=-0.49,f=-2.7!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.578 USER MOD Single : A 73 GLN : amide:sc= -0.358 K(o=-0.36,f=-2.9!) USER MOD Single : A 74 SER OG : rot 180:sc= 0.158 USER MOD Single : A 87 TYR OH : rot 180:sc= -1.33 USER MOD Single : A 89 ASN : amide:sc= 0.928 K(o=0.93,f=-0.76) USER MOD Single : A 92 LYS NZ :NH3+ -178:sc= -2.93! (180deg=-2.98!) USER MOD Single : A 93 TYR OH : rot 9:sc= 0.713 USER MOD Single : A 94 ASN : amide:sc= -0.0469 K(o=-0.047,f=-0.69) USER MOD Single : A 95 THR OG1 : rot 17:sc= 1.2 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.737 K(o=-0.74,f=-2.5) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 108 THR OG1 : rot 180:sc= -1.69! USER MOD Single : A 111 SER OG : rot 180:sc= 0.09 USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 TYR OH : rot 62:sc= 0.629 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc= -1.2! C(o=-1.2!,f=-6.2!) USER MOD Single : B 229 GLN : amide:sc= -0.0176 K(o=-0.018,f=-1.2!) USER MOD Single : B 232 HIS : no HE2:sc= -0.181 K(o=-0.18,f=-1.6) USER MOD Single : B 233 LYS NZ :NH3+ -164:sc= -11.7! (180deg=-12.2!) USER MOD Single : B 234 ASN : amide:sc= -0.963 K(o=-0.96,f=-1.8!) USER MOD Single : B 236 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 44 -7.312 5.141 -9.711 1.00 0.00 N ATOM 2 CA TYR A 44 -6.717 6.427 -9.252 1.00 0.00 C ATOM 3 C TYR A 44 -6.484 6.418 -7.742 1.00 0.00 C ATOM 4 O TYR A 44 -7.433 6.371 -6.961 1.00 0.00 O ATOM 5 CB TYR A 44 -7.660 7.573 -9.641 1.00 0.00 C ATOM 6 CG TYR A 44 -7.090 8.493 -10.695 1.00 0.00 C ATOM 7 CD1 TYR A 44 -7.187 8.179 -12.045 1.00 0.00 C ATOM 8 CD2 TYR A 44 -6.451 9.675 -10.341 1.00 0.00 C ATOM 9 CE1 TYR A 44 -6.665 9.017 -13.010 1.00 0.00 C ATOM 10 CE2 TYR A 44 -5.928 10.517 -11.302 1.00 0.00 C ATOM 11 CZ TYR A 44 -6.037 10.184 -12.633 1.00 0.00 C ATOM 12 OH TYR A 44 -5.517 11.021 -13.590 1.00 0.00 O ATOM 0 HA TYR A 44 -5.748 6.565 -9.732 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -8.598 7.153 -10.005 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.896 8.156 -8.751 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.678 7.265 -12.344 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -6.362 9.939 -9.298 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -6.748 8.759 -14.055 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -5.436 11.433 -11.011 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.109 11.800 -13.157 1.00 0.00 H new ATOM 22 N CYS A 45 -5.214 6.460 -7.336 1.00 0.00 N ATOM 23 CA CYS A 45 -4.864 6.455 -5.920 1.00 0.00 C ATOM 24 C CYS A 45 -4.645 7.872 -5.411 1.00 0.00 C ATOM 25 O CYS A 45 -3.898 8.645 -6.009 1.00 0.00 O ATOM 26 CB CYS A 45 -3.617 5.612 -5.668 1.00 0.00 C ATOM 27 SG CYS A 45 -3.197 5.415 -3.906 1.00 0.00 S ATOM 0 H CYS A 45 -4.414 6.498 -7.968 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.698 6.013 -5.375 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.763 4.626 -6.108 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -2.772 6.069 -6.183 1.00 0.00 H new ATOM 32 N HIS A 46 -5.307 8.193 -4.306 1.00 0.00 N ATOM 33 CA HIS A 46 -5.210 9.523 -3.693 1.00 0.00 C ATOM 34 C HIS A 46 -5.817 9.535 -2.283 1.00 0.00 C ATOM 35 O HIS A 46 -5.129 9.825 -1.305 1.00 0.00 O ATOM 36 CB HIS A 46 -5.920 10.561 -4.575 1.00 0.00 C ATOM 37 CG HIS A 46 -4.986 11.436 -5.354 1.00 0.00 C ATOM 38 ND1 HIS A 46 -4.470 11.293 -6.596 1.00 0.00 N flip ATOM 39 CD2 HIS A 46 -4.482 12.619 -4.865 1.00 0.00 C flip ATOM 40 CE1 HIS A 46 -3.671 12.385 -6.834 1.00 0.00 C flip ATOM 41 NE2 HIS A 46 -3.697 13.171 -5.772 1.00 0.00 N flip ATOM 0 H HIS A 46 -5.922 7.549 -3.809 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.153 9.778 -3.609 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -6.581 10.042 -5.270 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -6.550 11.189 -3.945 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -4.642 10.518 -7.237 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.695 13.032 -3.890 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -3.113 12.571 -7.740 1.00 0.00 H new ATOM 50 N ARG A 47 -7.112 9.219 -2.193 1.00 0.00 N ATOM 51 CA ARG A 47 -7.823 9.196 -0.909 1.00 0.00 C ATOM 52 C ARG A 47 -7.572 7.887 -0.151 1.00 0.00 C ATOM 53 O ARG A 47 -6.922 6.973 -0.662 1.00 0.00 O ATOM 54 CB ARG A 47 -9.330 9.377 -1.145 1.00 0.00 C ATOM 55 CG ARG A 47 -9.777 10.831 -1.182 1.00 0.00 C ATOM 56 CD ARG A 47 -11.180 10.964 -1.755 1.00 0.00 C ATOM 57 NE ARG A 47 -11.856 12.180 -1.285 1.00 0.00 N ATOM 58 CZ ARG A 47 -11.828 13.353 -1.911 1.00 0.00 C ATOM 59 NH1 ARG A 47 -11.127 13.516 -3.019 1.00 0.00 N ATOM 60 NH2 ARG A 47 -12.503 14.373 -1.417 1.00 0.00 N ATOM 0 H ARG A 47 -7.692 8.975 -2.996 1.00 0.00 H new ATOM 0 HA ARG A 47 -7.443 10.017 -0.300 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -9.600 8.900 -2.087 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -9.876 8.859 -0.357 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -9.752 11.247 -0.175 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -9.079 11.413 -1.784 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -11.127 10.977 -2.844 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -11.770 10.091 -1.475 1.00 0.00 H new ATOM 0 HE ARG A 47 -12.385 12.121 -0.415 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -10.597 12.736 -3.406 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -11.116 14.422 -3.487 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -13.043 14.260 -0.559 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -12.485 15.275 -1.893 1.00 0.00 H new ATOM 74 N THR A 48 -8.101 7.811 1.071 1.00 0.00 N ATOM 75 CA THR A 48 -7.949 6.621 1.911 1.00 0.00 C ATOM 76 C THR A 48 -8.824 6.722 3.169 1.00 0.00 C ATOM 77 O THR A 48 -8.342 7.032 4.260 1.00 0.00 O ATOM 78 CB THR A 48 -6.473 6.407 2.282 1.00 0.00 C ATOM 79 OG1 THR A 48 -6.320 5.263 3.103 1.00 0.00 O ATOM 80 CG2 THR A 48 -5.847 7.577 3.012 1.00 0.00 C ATOM 0 H THR A 48 -8.640 8.562 1.503 1.00 0.00 H new ATOM 0 HA THR A 48 -8.285 5.755 1.340 1.00 0.00 H new ATOM 0 HB THR A 48 -5.962 6.286 1.327 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.466 5.315 3.581 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.806 7.349 3.239 1.00 0.00 H new ATOM 0 HG22 THR A 48 -5.895 8.466 2.383 1.00 0.00 H new ATOM 0 HG23 THR A 48 -6.389 7.759 3.940 1.00 0.00 H new ATOM 88 N THR A 49 -10.126 6.469 2.992 1.00 0.00 N ATOM 89 CA THR A 49 -11.109 6.527 4.089 1.00 0.00 C ATOM 90 C THR A 49 -10.903 7.768 4.975 1.00 0.00 C ATOM 91 O THR A 49 -10.994 7.698 6.201 1.00 0.00 O ATOM 92 CB THR A 49 -11.053 5.231 4.921 1.00 0.00 C ATOM 93 OG1 THR A 49 -12.190 5.121 5.759 1.00 0.00 O ATOM 94 CG2 THR A 49 -9.826 5.107 5.804 1.00 0.00 C ATOM 0 H THR A 49 -10.530 6.219 2.090 1.00 0.00 H new ATOM 0 HA THR A 49 -12.102 6.615 3.648 1.00 0.00 H new ATOM 0 HB THR A 49 -11.018 4.433 4.179 1.00 0.00 H new ATOM 0 HG1 THR A 49 -12.603 4.241 5.637 1.00 0.00 H new ATOM 0 HG21 THR A 49 -9.867 4.167 6.354 1.00 0.00 H new ATOM 0 HG22 THR A 49 -8.929 5.127 5.185 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.799 5.938 6.508 1.00 0.00 H new ATOM 102 N ILE A 50 -10.626 8.906 4.333 1.00 0.00 N ATOM 103 CA ILE A 50 -10.394 10.171 5.038 1.00 0.00 C ATOM 104 C ILE A 50 -11.660 10.706 5.722 1.00 0.00 C ATOM 105 O ILE A 50 -11.596 11.220 6.841 1.00 0.00 O ATOM 106 CB ILE A 50 -9.827 11.248 4.077 1.00 0.00 C ATOM 107 CG1 ILE A 50 -9.335 12.467 4.862 1.00 0.00 C ATOM 108 CG2 ILE A 50 -10.869 11.670 3.049 1.00 0.00 C ATOM 109 CD1 ILE A 50 -7.858 12.422 5.191 1.00 0.00 C ATOM 0 H ILE A 50 -10.556 8.978 3.318 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.661 9.957 5.816 1.00 0.00 H new ATOM 0 HB ILE A 50 -8.982 10.809 3.546 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -9.543 13.368 4.285 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -9.903 12.545 5.789 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -10.444 12.426 2.389 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -11.172 10.804 2.461 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -11.738 12.083 3.561 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -7.582 13.318 5.747 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.647 11.540 5.795 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -7.281 12.376 4.268 1.00 0.00 H new ATOM 121 N GLY A 51 -12.804 10.592 5.046 1.00 0.00 N ATOM 122 CA GLY A 51 -14.057 11.080 5.614 1.00 0.00 C ATOM 123 C GLY A 51 -15.287 10.546 4.903 1.00 0.00 C ATOM 124 O GLY A 51 -15.214 9.539 4.198 1.00 0.00 O ATOM 0 H GLY A 51 -12.887 10.173 4.120 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -14.104 10.800 6.666 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -14.066 12.169 5.573 1.00 0.00 H new ATOM 128 N ASN A 52 -16.420 11.230 5.089 1.00 0.00 N ATOM 129 CA ASN A 52 -17.686 10.839 4.470 1.00 0.00 C ATOM 130 C ASN A 52 -18.183 9.487 5.006 1.00 0.00 C ATOM 131 O ASN A 52 -17.450 8.767 5.689 1.00 0.00 O ATOM 132 CB ASN A 52 -17.541 10.806 2.945 1.00 0.00 C ATOM 133 CG ASN A 52 -16.833 12.034 2.396 1.00 0.00 C ATOM 134 OD1 ASN A 52 -15.657 11.982 2.044 1.00 0.00 O ATOM 135 ND2 ASN A 52 -17.546 13.151 2.321 1.00 0.00 N ATOM 0 H ASN A 52 -16.484 12.066 5.670 1.00 0.00 H new ATOM 0 HA ASN A 52 -18.436 11.585 4.733 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -16.987 9.913 2.656 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -18.529 10.729 2.492 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -17.120 14.005 1.961 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -18.520 13.155 2.623 1.00 0.00 H new ATOM 142 N PHE A 53 -19.443 9.156 4.717 1.00 0.00 N ATOM 143 CA PHE A 53 -20.033 7.910 5.194 1.00 0.00 C ATOM 144 C PHE A 53 -20.665 7.098 4.058 1.00 0.00 C ATOM 145 O PHE A 53 -20.867 7.602 2.952 1.00 0.00 O ATOM 146 CB PHE A 53 -21.091 8.218 6.254 1.00 0.00 C ATOM 147 CG PHE A 53 -20.590 9.063 7.393 1.00 0.00 C ATOM 148 CD1 PHE A 53 -19.722 8.537 8.335 1.00 0.00 C ATOM 149 CD2 PHE A 53 -20.993 10.383 7.521 1.00 0.00 C ATOM 150 CE1 PHE A 53 -19.262 9.311 9.384 1.00 0.00 C ATOM 151 CE2 PHE A 53 -20.537 11.162 8.568 1.00 0.00 C ATOM 152 CZ PHE A 53 -19.672 10.626 9.500 1.00 0.00 C ATOM 0 H PHE A 53 -20.070 9.733 4.157 1.00 0.00 H new ATOM 0 HA PHE A 53 -19.232 7.308 5.623 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -21.929 8.728 5.778 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -21.474 7.279 6.653 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -19.400 7.510 8.249 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -21.671 10.807 6.795 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -18.584 8.889 10.111 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -20.858 12.190 8.656 1.00 0.00 H new ATOM 0 HZ PHE A 53 -19.316 11.233 10.319 1.00 0.00 H new ATOM 162 N SER A 54 -20.985 5.837 4.360 1.00 0.00 N ATOM 163 CA SER A 54 -21.611 4.927 3.400 1.00 0.00 C ATOM 164 C SER A 54 -22.084 3.637 4.099 1.00 0.00 C ATOM 165 O SER A 54 -21.993 2.542 3.537 1.00 0.00 O ATOM 166 CB SER A 54 -20.633 4.606 2.252 1.00 0.00 C ATOM 167 OG SER A 54 -21.036 3.460 1.510 1.00 0.00 O ATOM 0 H SER A 54 -20.817 5.420 5.275 1.00 0.00 H new ATOM 0 HA SER A 54 -22.487 5.418 2.977 1.00 0.00 H new ATOM 0 HB2 SER A 54 -20.565 5.464 1.584 1.00 0.00 H new ATOM 0 HB3 SER A 54 -19.636 4.440 2.661 1.00 0.00 H new ATOM 0 HG SER A 54 -21.030 2.673 2.094 1.00 0.00 H new ATOM 173 N GLY A 55 -22.592 3.778 5.329 1.00 0.00 N ATOM 174 CA GLY A 55 -23.067 2.625 6.083 1.00 0.00 C ATOM 175 C GLY A 55 -21.932 1.750 6.593 1.00 0.00 C ATOM 176 O GLY A 55 -20.964 2.260 7.160 1.00 0.00 O ATOM 0 H GLY A 55 -22.682 4.671 5.814 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -23.663 2.969 6.928 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -23.725 2.028 5.451 1.00 0.00 H new ATOM 180 N PRO A 56 -22.025 0.419 6.405 1.00 0.00 N ATOM 181 CA PRO A 56 -20.992 -0.518 6.851 1.00 0.00 C ATOM 182 C PRO A 56 -19.854 -0.665 5.835 1.00 0.00 C ATOM 183 O PRO A 56 -19.811 0.039 4.823 1.00 0.00 O ATOM 184 CB PRO A 56 -21.772 -1.824 6.983 1.00 0.00 C ATOM 185 CG PRO A 56 -22.819 -1.744 5.922 1.00 0.00 C ATOM 186 CD PRO A 56 -23.145 -0.279 5.744 1.00 0.00 C ATOM 0 HA PRO A 56 -20.499 -0.194 7.768 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -21.125 -2.689 6.837 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -22.217 -1.922 7.973 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -22.458 -2.176 4.989 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -23.707 -2.306 6.211 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -23.216 -0.011 4.690 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -24.100 -0.024 6.203 1.00 0.00 H new ATOM 194 N TYR A 57 -18.936 -1.589 6.106 1.00 0.00 N ATOM 195 CA TYR A 57 -17.807 -1.834 5.211 1.00 0.00 C ATOM 196 C TYR A 57 -18.026 -3.114 4.400 1.00 0.00 C ATOM 197 O TYR A 57 -18.450 -4.137 4.940 1.00 0.00 O ATOM 198 CB TYR A 57 -16.504 -1.921 6.011 1.00 0.00 C ATOM 199 CG TYR A 57 -15.558 -0.769 5.744 1.00 0.00 C ATOM 200 CD1 TYR A 57 -15.725 0.453 6.381 1.00 0.00 C ATOM 201 CD2 TYR A 57 -14.503 -0.903 4.850 1.00 0.00 C ATOM 202 CE1 TYR A 57 -14.866 1.511 6.137 1.00 0.00 C ATOM 203 CE2 TYR A 57 -13.639 0.149 4.601 1.00 0.00 C ATOM 204 CZ TYR A 57 -13.824 1.352 5.245 1.00 0.00 C ATOM 205 OH TYR A 57 -12.961 2.395 4.988 1.00 0.00 O ATOM 0 H TYR A 57 -18.951 -2.180 6.937 1.00 0.00 H new ATOM 0 HA TYR A 57 -17.732 -0.999 4.514 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -16.740 -1.949 7.075 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -16.001 -2.858 5.772 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -16.539 0.581 7.079 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -14.355 -1.844 4.341 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -15.010 2.455 6.641 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -12.823 0.027 3.904 1.00 0.00 H new ATOM 0 HH TYR A 57 -12.287 2.109 4.337 1.00 0.00 H new ATOM 215 N THR A 58 -17.747 -3.044 3.097 1.00 0.00 N ATOM 216 CA THR A 58 -17.924 -4.194 2.199 1.00 0.00 C ATOM 217 C THR A 58 -16.882 -4.190 1.082 1.00 0.00 C ATOM 218 O THR A 58 -15.900 -4.929 1.137 1.00 0.00 O ATOM 219 CB THR A 58 -19.333 -4.186 1.594 1.00 0.00 C ATOM 220 OG1 THR A 58 -19.571 -2.967 0.904 1.00 0.00 O ATOM 221 CG2 THR A 58 -20.436 -4.362 2.621 1.00 0.00 C ATOM 0 H THR A 58 -17.397 -2.204 2.637 1.00 0.00 H new ATOM 0 HA THR A 58 -17.791 -5.100 2.789 1.00 0.00 H new ATOM 0 HB THR A 58 -19.361 -5.039 0.916 1.00 0.00 H new ATOM 0 HG1 THR A 58 -20.474 -2.978 0.522 1.00 0.00 H new ATOM 0 HG21 THR A 58 -21.404 -4.346 2.121 1.00 0.00 H new ATOM 0 HG22 THR A 58 -20.307 -5.316 3.133 1.00 0.00 H new ATOM 0 HG23 THR A 58 -20.390 -3.551 3.348 1.00 0.00 H new ATOM 229 N TYR A 59 -17.104 -3.360 0.066 1.00 0.00 N ATOM 230 CA TYR A 59 -16.180 -3.274 -1.063 1.00 0.00 C ATOM 231 C TYR A 59 -14.904 -2.520 -0.678 1.00 0.00 C ATOM 232 O TYR A 59 -14.947 -1.365 -0.252 1.00 0.00 O ATOM 233 CB TYR A 59 -16.853 -2.621 -2.282 1.00 0.00 C ATOM 234 CG TYR A 59 -17.584 -1.325 -1.989 1.00 0.00 C ATOM 235 CD1 TYR A 59 -16.903 -0.116 -1.926 1.00 0.00 C ATOM 236 CD2 TYR A 59 -18.959 -1.311 -1.785 1.00 0.00 C ATOM 237 CE1 TYR A 59 -17.570 1.069 -1.666 1.00 0.00 C ATOM 238 CE2 TYR A 59 -19.632 -0.131 -1.526 1.00 0.00 C ATOM 239 CZ TYR A 59 -18.933 1.054 -1.467 1.00 0.00 C ATOM 240 OH TYR A 59 -19.601 2.231 -1.212 1.00 0.00 O ATOM 0 H TYR A 59 -17.911 -2.740 0.001 1.00 0.00 H new ATOM 0 HA TYR A 59 -15.900 -4.291 -1.337 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -16.093 -2.429 -3.039 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -17.560 -3.331 -2.712 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -15.835 -0.100 -2.083 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -19.511 -2.238 -1.830 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -17.025 2.000 -1.619 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -20.701 -0.139 -1.371 1.00 0.00 H new ATOM 0 HH TYR A 59 -20.557 2.046 -1.097 1.00 0.00 H new ATOM 250 N CYS A 60 -13.764 -3.188 -0.843 1.00 0.00 N ATOM 251 CA CYS A 60 -12.466 -2.592 -0.529 1.00 0.00 C ATOM 252 C CYS A 60 -12.147 -1.478 -1.518 1.00 0.00 C ATOM 253 O CYS A 60 -12.242 -1.674 -2.729 1.00 0.00 O ATOM 254 CB CYS A 60 -11.360 -3.653 -0.583 1.00 0.00 C ATOM 255 SG CYS A 60 -11.647 -5.108 0.482 1.00 0.00 S ATOM 0 H CYS A 60 -13.712 -4.145 -1.193 1.00 0.00 H new ATOM 0 HA CYS A 60 -12.514 -2.179 0.479 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -11.249 -3.990 -1.614 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -10.416 -3.190 -0.295 1.00 0.00 H new ATOM 260 N ASN A 61 -11.768 -0.312 -1.014 1.00 0.00 N ATOM 261 CA ASN A 61 -11.440 0.813 -1.884 1.00 0.00 C ATOM 262 C ASN A 61 -10.042 1.355 -1.592 1.00 0.00 C ATOM 263 O ASN A 61 -9.446 1.024 -0.559 1.00 0.00 O ATOM 264 CB ASN A 61 -12.495 1.926 -1.737 1.00 0.00 C ATOM 265 CG ASN A 61 -12.089 3.021 -0.759 1.00 0.00 C ATOM 266 OD1 ASN A 61 -11.253 3.869 -1.070 1.00 0.00 O ATOM 267 ND2 ASN A 61 -12.678 3.011 0.426 1.00 0.00 N ATOM 0 H ASN A 61 -11.680 -0.119 -0.016 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.447 0.456 -2.914 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.680 2.372 -2.714 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -13.435 1.484 -1.406 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -12.444 3.723 1.118 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.366 2.292 0.647 1.00 0.00 H new ATOM 274 N THR A 62 -9.547 2.196 -2.518 1.00 0.00 N ATOM 275 CA THR A 62 -8.225 2.842 -2.404 1.00 0.00 C ATOM 276 C THR A 62 -7.697 2.771 -0.977 1.00 0.00 C ATOM 277 O THR A 62 -8.074 3.573 -0.120 1.00 0.00 O ATOM 278 CB THR A 62 -8.302 4.307 -2.852 1.00 0.00 C ATOM 279 OG1 THR A 62 -9.629 4.808 -2.775 1.00 0.00 O ATOM 280 CG2 THR A 62 -7.830 4.521 -4.270 1.00 0.00 C ATOM 0 H THR A 62 -10.052 2.448 -3.368 1.00 0.00 H new ATOM 0 HA THR A 62 -7.537 2.302 -3.055 1.00 0.00 H new ATOM 0 HB THR A 62 -7.642 4.839 -2.167 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.999 4.618 -1.888 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.910 5.578 -4.525 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.791 4.204 -4.359 1.00 0.00 H new ATOM 0 HG23 THR A 62 -8.448 3.936 -4.951 1.00 0.00 H new ATOM 288 N THR A 63 -6.858 1.776 -0.725 1.00 0.00 N ATOM 289 CA THR A 63 -6.308 1.551 0.604 1.00 0.00 C ATOM 290 C THR A 63 -4.816 1.864 0.658 1.00 0.00 C ATOM 291 O THR A 63 -4.149 1.942 -0.371 1.00 0.00 O ATOM 292 CB THR A 63 -6.574 0.097 0.999 1.00 0.00 C ATOM 293 OG1 THR A 63 -7.971 -0.157 1.099 1.00 0.00 O ATOM 294 CG2 THR A 63 -5.942 -0.307 2.311 1.00 0.00 C ATOM 0 H THR A 63 -6.542 1.108 -1.428 1.00 0.00 H new ATOM 0 HA THR A 63 -6.794 2.224 1.310 1.00 0.00 H new ATOM 0 HB THR A 63 -6.119 -0.493 0.204 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.130 -0.847 1.776 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.176 -1.351 2.521 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.861 -0.183 2.248 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.333 0.321 3.112 1.00 0.00 H new ATOM 302 N LEU A 64 -4.297 2.045 1.870 1.00 0.00 N ATOM 303 CA LEU A 64 -2.884 2.353 2.069 1.00 0.00 C ATOM 304 C LEU A 64 -2.212 1.326 2.985 1.00 0.00 C ATOM 305 O LEU A 64 -2.806 0.300 3.329 1.00 0.00 O ATOM 306 CB LEU A 64 -2.747 3.759 2.657 1.00 0.00 C ATOM 307 CG LEU A 64 -1.731 4.667 1.961 1.00 0.00 C ATOM 308 CD1 LEU A 64 -2.381 5.391 0.794 1.00 0.00 C ATOM 309 CD2 LEU A 64 -1.149 5.666 2.949 1.00 0.00 C ATOM 0 H LEU A 64 -4.837 1.983 2.733 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.382 2.310 1.103 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.723 4.244 2.626 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.469 3.669 3.707 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.920 4.049 1.576 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.646 6.033 0.309 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.755 4.661 0.076 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.209 5.999 1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.428 6.305 2.439 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.950 6.280 3.360 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.651 5.130 3.757 1.00 0.00 H new ATOM 321 N ASP A 65 -0.970 1.611 3.368 1.00 0.00 N ATOM 322 CA ASP A 65 -0.204 0.724 4.239 1.00 0.00 C ATOM 323 C ASP A 65 0.873 1.507 4.994 1.00 0.00 C ATOM 324 O ASP A 65 1.345 2.538 4.511 1.00 0.00 O ATOM 325 CB ASP A 65 0.434 -0.390 3.401 1.00 0.00 C ATOM 326 CG ASP A 65 -0.115 -1.763 3.719 1.00 0.00 C ATOM 327 OD1 ASP A 65 -0.696 -1.939 4.813 1.00 0.00 O ATOM 328 OD2 ASP A 65 0.034 -2.668 2.867 1.00 0.00 O ATOM 0 H ASP A 65 -0.470 2.455 3.087 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.877 0.281 4.973 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.274 -0.178 2.344 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.511 -0.389 3.567 1.00 0.00 H new ATOM 333 N GLN A 66 1.265 1.014 6.172 1.00 0.00 N ATOM 334 CA GLN A 66 2.295 1.678 6.983 1.00 0.00 C ATOM 335 C GLN A 66 3.574 1.926 6.170 1.00 0.00 C ATOM 336 O GLN A 66 4.269 2.920 6.375 1.00 0.00 O ATOM 337 CB GLN A 66 2.616 0.838 8.227 1.00 0.00 C ATOM 338 CG GLN A 66 2.991 1.670 9.449 1.00 0.00 C ATOM 339 CD GLN A 66 2.038 1.475 10.616 1.00 0.00 C ATOM 340 OE1 GLN A 66 0.974 0.877 10.471 1.00 0.00 O ATOM 341 NE2 GLN A 66 2.413 1.980 11.783 1.00 0.00 N ATOM 0 H GLN A 66 0.888 0.161 6.586 1.00 0.00 H new ATOM 0 HA GLN A 66 1.901 2.645 7.296 1.00 0.00 H new ATOM 0 HB2 GLN A 66 1.751 0.220 8.470 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.437 0.160 7.995 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.001 1.408 9.764 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.007 2.724 9.173 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.304 2.470 11.864 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.811 1.878 12.600 1.00 0.00 H new ATOM 350 N ILE A 67 3.863 1.012 5.243 1.00 0.00 N ATOM 351 CA ILE A 67 5.042 1.109 4.381 1.00 0.00 C ATOM 352 C ILE A 67 4.783 1.995 3.144 1.00 0.00 C ATOM 353 O ILE A 67 5.706 2.304 2.388 1.00 0.00 O ATOM 354 CB ILE A 67 5.490 -0.305 3.926 1.00 0.00 C ATOM 355 CG1 ILE A 67 6.084 -1.079 5.099 1.00 0.00 C ATOM 356 CG2 ILE A 67 6.509 -0.226 2.798 1.00 0.00 C ATOM 357 CD1 ILE A 67 6.277 -2.548 4.804 1.00 0.00 C ATOM 0 H ILE A 67 3.289 0.187 5.069 1.00 0.00 H new ATOM 0 HA ILE A 67 5.834 1.576 4.966 1.00 0.00 H new ATOM 0 HB ILE A 67 4.607 -0.828 3.558 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.045 -0.639 5.367 1.00 0.00 H new ATOM 0 HG13 ILE A 67 5.431 -0.971 5.965 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.803 -1.233 2.502 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.068 0.289 1.945 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.387 0.323 3.139 1.00 0.00 H new ATOM 0 HD11 ILE A 67 6.702 -3.042 5.678 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.315 -3.000 4.564 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.953 -2.663 3.957 1.00 0.00 H new ATOM 369 N GLY A 68 3.527 2.407 2.942 1.00 0.00 N ATOM 370 CA GLY A 68 3.189 3.245 1.796 1.00 0.00 C ATOM 371 C GLY A 68 2.726 2.433 0.597 1.00 0.00 C ATOM 372 O GLY A 68 3.051 2.758 -0.545 1.00 0.00 O ATOM 0 H GLY A 68 2.741 2.176 3.549 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.404 3.945 2.081 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.059 3.838 1.515 1.00 0.00 H new ATOM 376 N THR A 69 1.961 1.373 0.861 1.00 0.00 N ATOM 377 CA THR A 69 1.445 0.508 -0.201 1.00 0.00 C ATOM 378 C THR A 69 -0.027 0.812 -0.474 1.00 0.00 C ATOM 379 O THR A 69 -0.898 0.511 0.342 1.00 0.00 O ATOM 380 CB THR A 69 1.631 -0.972 0.180 1.00 0.00 C ATOM 381 OG1 THR A 69 2.986 -1.362 0.034 1.00 0.00 O ATOM 382 CG2 THR A 69 0.802 -1.927 -0.653 1.00 0.00 C ATOM 0 H THR A 69 1.685 1.093 1.802 1.00 0.00 H new ATOM 0 HA THR A 69 2.008 0.705 -1.113 1.00 0.00 H new ATOM 0 HB THR A 69 1.300 -1.036 1.217 1.00 0.00 H new ATOM 0 HG1 THR A 69 3.084 -2.305 0.283 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.987 -2.950 -0.326 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.255 -1.692 -0.531 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.077 -1.827 -1.703 1.00 0.00 H new ATOM 390 N CYS A 70 -0.299 1.420 -1.626 1.00 0.00 N ATOM 391 CA CYS A 70 -1.670 1.770 -2.004 1.00 0.00 C ATOM 392 C CYS A 70 -2.379 0.581 -2.640 1.00 0.00 C ATOM 393 O CYS A 70 -2.067 0.189 -3.768 1.00 0.00 O ATOM 394 CB CYS A 70 -1.677 2.959 -2.969 1.00 0.00 C ATOM 395 SG CYS A 70 -3.329 3.412 -3.592 1.00 0.00 S ATOM 0 H CYS A 70 0.408 1.681 -2.314 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.206 2.049 -1.097 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -1.242 3.823 -2.466 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -1.033 2.727 -3.817 1.00 0.00 H new ATOM 400 N TRP A 71 -3.340 0.018 -1.916 1.00 0.00 N ATOM 401 CA TRP A 71 -4.107 -1.118 -2.411 1.00 0.00 C ATOM 402 C TRP A 71 -5.371 -0.630 -3.127 1.00 0.00 C ATOM 403 O TRP A 71 -6.202 0.065 -2.535 1.00 0.00 O ATOM 404 CB TRP A 71 -4.469 -2.073 -1.264 1.00 0.00 C ATOM 405 CG TRP A 71 -3.272 -2.669 -0.577 1.00 0.00 C ATOM 406 CD1 TRP A 71 -2.616 -2.176 0.517 1.00 0.00 C ATOM 407 CD2 TRP A 71 -2.590 -3.875 -0.942 1.00 0.00 C ATOM 408 NE1 TRP A 71 -1.569 -3.001 0.851 1.00 0.00 N ATOM 409 CE2 TRP A 71 -1.532 -4.050 -0.031 1.00 0.00 C ATOM 410 CE3 TRP A 71 -2.775 -4.823 -1.951 1.00 0.00 C ATOM 411 CZ2 TRP A 71 -0.660 -5.136 -0.104 1.00 0.00 C ATOM 412 CZ3 TRP A 71 -1.910 -5.898 -2.022 1.00 0.00 C ATOM 413 CH2 TRP A 71 -0.864 -6.048 -1.103 1.00 0.00 C ATOM 0 H TRP A 71 -3.606 0.331 -0.982 1.00 0.00 H new ATOM 0 HA TRP A 71 -3.492 -1.666 -3.124 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -5.068 -1.535 -0.530 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -5.091 -2.878 -1.655 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -2.882 -1.270 1.042 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -0.925 -2.857 1.628 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -3.580 -4.718 -2.663 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 0.148 -5.253 0.603 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.043 -6.635 -2.800 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -0.206 -6.900 -1.185 1.00 0.00 H new ATOM 424 N PRO A 72 -5.518 -0.977 -4.422 1.00 0.00 N ATOM 425 CA PRO A 72 -6.672 -0.561 -5.237 1.00 0.00 C ATOM 426 C PRO A 72 -7.992 -1.188 -4.784 1.00 0.00 C ATOM 427 O PRO A 72 -8.022 -2.043 -3.895 1.00 0.00 O ATOM 428 CB PRO A 72 -6.309 -1.046 -6.645 1.00 0.00 C ATOM 429 CG PRO A 72 -5.342 -2.156 -6.426 1.00 0.00 C ATOM 430 CD PRO A 72 -4.561 -1.785 -5.199 1.00 0.00 C ATOM 0 HA PRO A 72 -6.840 0.513 -5.163 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.191 -1.390 -7.185 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.865 -0.246 -7.237 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.861 -3.104 -6.287 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.684 -2.276 -7.286 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.237 -2.667 -4.646 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.664 -1.218 -5.449 1.00 0.00 H new ATOM 438 N GLN A 73 -9.084 -0.747 -5.412 1.00 0.00 N ATOM 439 CA GLN A 73 -10.427 -1.243 -5.103 1.00 0.00 C ATOM 440 C GLN A 73 -10.488 -2.784 -5.118 1.00 0.00 C ATOM 441 O GLN A 73 -9.758 -3.438 -5.862 1.00 0.00 O ATOM 442 CB GLN A 73 -11.429 -0.670 -6.111 1.00 0.00 C ATOM 443 CG GLN A 73 -12.865 -0.643 -5.605 1.00 0.00 C ATOM 444 CD GLN A 73 -13.833 -1.365 -6.522 1.00 0.00 C ATOM 445 OE1 GLN A 73 -13.441 -1.959 -7.525 1.00 0.00 O ATOM 446 NE2 GLN A 73 -15.112 -1.318 -6.180 1.00 0.00 N ATOM 0 H GLN A 73 -9.063 -0.039 -6.146 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.683 -0.914 -4.096 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.127 0.344 -6.372 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.387 -1.261 -7.026 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.904 -1.098 -4.615 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -13.185 0.393 -5.492 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -15.397 -0.815 -5.340 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -15.812 -1.785 -6.757 1.00 0.00 H new ATOM 455 N SER A 74 -11.362 -3.352 -4.282 1.00 0.00 N ATOM 456 CA SER A 74 -11.526 -4.810 -4.182 1.00 0.00 C ATOM 457 C SER A 74 -12.770 -5.172 -3.349 1.00 0.00 C ATOM 458 O SER A 74 -13.677 -4.353 -3.200 1.00 0.00 O ATOM 459 CB SER A 74 -10.267 -5.429 -3.562 1.00 0.00 C ATOM 460 OG SER A 74 -10.303 -6.846 -3.636 1.00 0.00 O ATOM 0 H SER A 74 -11.972 -2.822 -3.660 1.00 0.00 H new ATOM 0 HA SER A 74 -11.669 -5.213 -5.185 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.383 -5.057 -4.080 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.181 -5.118 -2.521 1.00 0.00 H new ATOM 0 HG SER A 74 -9.488 -7.215 -3.235 1.00 0.00 H new ATOM 466 N ALA A 75 -12.809 -6.389 -2.797 1.00 0.00 N ATOM 467 CA ALA A 75 -13.946 -6.826 -1.973 1.00 0.00 C ATOM 468 C ALA A 75 -13.617 -8.091 -1.166 1.00 0.00 C ATOM 469 O ALA A 75 -12.610 -8.754 -1.421 1.00 0.00 O ATOM 470 CB ALA A 75 -15.180 -7.047 -2.842 1.00 0.00 C ATOM 0 H ALA A 75 -12.073 -7.087 -2.903 1.00 0.00 H new ATOM 0 HA ALA A 75 -14.157 -6.031 -1.257 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -16.012 -7.370 -2.217 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -15.443 -6.116 -3.344 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -14.968 -7.813 -3.587 1.00 0.00 H new ATOM 476 N PRO A 76 -14.462 -8.436 -0.169 1.00 0.00 N ATOM 477 CA PRO A 76 -14.261 -9.615 0.688 1.00 0.00 C ATOM 478 C PRO A 76 -13.989 -10.896 -0.098 1.00 0.00 C ATOM 479 O PRO A 76 -14.641 -11.181 -1.104 1.00 0.00 O ATOM 480 CB PRO A 76 -15.581 -9.741 1.466 1.00 0.00 C ATOM 481 CG PRO A 76 -16.522 -8.778 0.829 1.00 0.00 C ATOM 482 CD PRO A 76 -15.673 -7.704 0.219 1.00 0.00 C ATOM 0 HA PRO A 76 -13.384 -9.487 1.322 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -15.969 -10.758 1.415 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -15.437 -9.507 2.521 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -17.130 -9.272 0.070 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -17.209 -8.360 1.565 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -16.160 -7.241 -0.640 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -15.455 -6.907 0.930 1.00 0.00 H new ATOM 490 N GLY A 77 -13.017 -11.665 0.381 1.00 0.00 N ATOM 491 CA GLY A 77 -12.655 -12.916 -0.270 1.00 0.00 C ATOM 492 C GLY A 77 -11.834 -12.723 -1.539 1.00 0.00 C ATOM 493 O GLY A 77 -11.645 -13.670 -2.302 1.00 0.00 O ATOM 0 H GLY A 77 -12.469 -11.445 1.213 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -12.089 -13.531 0.430 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.564 -13.466 -0.514 1.00 0.00 H new ATOM 497 N ALA A 78 -11.346 -11.501 -1.767 1.00 0.00 N ATOM 498 CA ALA A 78 -10.545 -11.201 -2.950 1.00 0.00 C ATOM 499 C ALA A 78 -9.057 -11.162 -2.616 1.00 0.00 C ATOM 500 O ALA A 78 -8.597 -10.290 -1.866 1.00 0.00 O ATOM 501 CB ALA A 78 -10.979 -9.878 -3.564 1.00 0.00 C ATOM 0 H ALA A 78 -11.493 -10.705 -1.146 1.00 0.00 H new ATOM 0 HA ALA A 78 -10.709 -11.999 -3.674 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -10.372 -9.669 -4.445 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -12.028 -9.938 -3.852 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -10.848 -9.078 -2.835 1.00 0.00 H new ATOM 507 N LEU A 79 -8.308 -12.103 -3.181 1.00 0.00 N ATOM 508 CA LEU A 79 -6.871 -12.178 -2.955 1.00 0.00 C ATOM 509 C LEU A 79 -6.139 -11.183 -3.847 1.00 0.00 C ATOM 510 O LEU A 79 -5.960 -11.417 -5.043 1.00 0.00 O ATOM 511 CB LEU A 79 -6.357 -13.599 -3.213 1.00 0.00 C ATOM 512 CG LEU A 79 -5.020 -13.932 -2.550 1.00 0.00 C ATOM 513 CD1 LEU A 79 -4.919 -15.422 -2.274 1.00 0.00 C ATOM 514 CD2 LEU A 79 -3.867 -13.474 -3.426 1.00 0.00 C ATOM 0 H LEU A 79 -8.675 -12.826 -3.800 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.675 -11.923 -1.913 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.106 -14.309 -2.863 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.258 -13.744 -4.289 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.964 -13.402 -1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.961 -15.641 -1.802 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.728 -15.725 -1.609 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.995 -15.972 -3.212 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.922 -13.718 -2.941 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.920 -13.979 -4.391 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.930 -12.396 -3.576 1.00 0.00 H new ATOM 526 N VAL A 80 -5.726 -10.068 -3.260 1.00 0.00 N ATOM 527 CA VAL A 80 -5.019 -9.036 -4.002 1.00 0.00 C ATOM 528 C VAL A 80 -3.522 -9.085 -3.697 1.00 0.00 C ATOM 529 O VAL A 80 -3.072 -8.678 -2.622 1.00 0.00 O ATOM 530 CB VAL A 80 -5.589 -7.637 -3.686 1.00 0.00 C ATOM 531 CG1 VAL A 80 -4.679 -6.543 -4.224 1.00 0.00 C ATOM 532 CG2 VAL A 80 -6.989 -7.497 -4.259 1.00 0.00 C ATOM 0 H VAL A 80 -5.869 -9.856 -2.273 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.163 -9.228 -5.065 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.642 -7.527 -2.603 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.104 -5.567 -3.988 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.694 -6.631 -3.765 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.586 -6.646 -5.305 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.379 -6.506 -4.029 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.955 -7.631 -5.340 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.639 -8.254 -3.820 1.00 0.00 H new ATOM 542 N GLU A 81 -2.759 -9.607 -4.647 1.00 0.00 N ATOM 543 CA GLU A 81 -1.317 -9.735 -4.494 1.00 0.00 C ATOM 544 C GLU A 81 -0.572 -8.639 -5.261 1.00 0.00 C ATOM 545 O GLU A 81 -1.104 -8.044 -6.199 1.00 0.00 O ATOM 546 CB GLU A 81 -0.856 -11.120 -4.964 1.00 0.00 C ATOM 547 CG GLU A 81 -1.046 -11.362 -6.457 1.00 0.00 C ATOM 548 CD GLU A 81 -2.447 -11.816 -6.806 1.00 0.00 C ATOM 549 OE1 GLU A 81 -3.362 -10.965 -6.813 1.00 0.00 O ATOM 550 OE2 GLU A 81 -2.629 -13.020 -7.069 1.00 0.00 O ATOM 0 H GLU A 81 -3.118 -9.951 -5.538 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.081 -9.620 -3.436 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.198 -11.244 -4.717 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.405 -11.882 -4.410 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.821 -10.444 -7.000 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.332 -12.114 -6.792 1.00 0.00 H new ATOM 557 N ARG A 82 0.661 -8.376 -4.843 1.00 0.00 N ATOM 558 CA ARG A 82 1.489 -7.350 -5.476 1.00 0.00 C ATOM 559 C ARG A 82 2.944 -7.454 -5.021 1.00 0.00 C ATOM 560 O ARG A 82 3.232 -8.016 -3.964 1.00 0.00 O ATOM 561 CB ARG A 82 0.944 -5.957 -5.133 1.00 0.00 C ATOM 562 CG ARG A 82 1.723 -5.244 -4.030 1.00 0.00 C ATOM 563 CD ARG A 82 0.862 -4.233 -3.299 1.00 0.00 C ATOM 564 NE ARG A 82 0.269 -3.266 -4.219 1.00 0.00 N ATOM 565 CZ ARG A 82 0.882 -2.173 -4.659 1.00 0.00 C ATOM 566 NH1 ARG A 82 2.111 -1.885 -4.271 1.00 0.00 N ATOM 567 NH2 ARG A 82 0.263 -1.372 -5.498 1.00 0.00 N ATOM 0 H ARG A 82 1.112 -8.859 -4.066 1.00 0.00 H new ATOM 0 HA ARG A 82 1.454 -7.506 -6.554 1.00 0.00 H new ATOM 0 HB2 ARG A 82 0.958 -5.340 -6.032 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -0.098 -6.050 -4.827 1.00 0.00 H new ATOM 0 HG2 ARG A 82 2.104 -5.979 -3.320 1.00 0.00 H new ATOM 0 HG3 ARG A 82 2.588 -4.741 -4.462 1.00 0.00 H new ATOM 0 HD2 ARG A 82 0.072 -4.752 -2.757 1.00 0.00 H new ATOM 0 HD3 ARG A 82 1.465 -3.708 -2.558 1.00 0.00 H new ATOM 0 HE ARG A 82 -0.681 -3.442 -4.546 1.00 0.00 H new ATOM 0 HH11 ARG A 82 2.601 -2.505 -3.626 1.00 0.00 H new ATOM 0 HH12 ARG A 82 2.571 -1.042 -4.616 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -0.684 -1.591 -5.808 1.00 0.00 H new ATOM 0 HH22 ARG A 82 0.729 -0.531 -5.839 1.00 0.00 H new ATOM 581 N PRO A 83 3.884 -6.887 -5.793 1.00 0.00 N ATOM 582 CA PRO A 83 5.300 -6.904 -5.422 1.00 0.00 C ATOM 583 C PRO A 83 5.545 -6.048 -4.182 1.00 0.00 C ATOM 584 O PRO A 83 5.155 -4.880 -4.142 1.00 0.00 O ATOM 585 CB PRO A 83 6.002 -6.311 -6.647 1.00 0.00 C ATOM 586 CG PRO A 83 4.962 -5.476 -7.313 1.00 0.00 C ATOM 587 CD PRO A 83 3.648 -6.163 -7.056 1.00 0.00 C ATOM 0 HA PRO A 83 5.662 -7.901 -5.171 1.00 0.00 H new ATOM 0 HB2 PRO A 83 6.865 -5.712 -6.357 1.00 0.00 H new ATOM 0 HB3 PRO A 83 6.367 -7.094 -7.312 1.00 0.00 H new ATOM 0 HG2 PRO A 83 4.958 -4.463 -6.909 1.00 0.00 H new ATOM 0 HG3 PRO A 83 5.155 -5.392 -8.382 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.831 -5.447 -6.963 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.385 -6.843 -7.866 1.00 0.00 H new ATOM 595 N CYS A 84 6.176 -6.628 -3.165 1.00 0.00 N ATOM 596 CA CYS A 84 6.446 -5.889 -1.931 1.00 0.00 C ATOM 597 C CYS A 84 7.327 -4.672 -2.214 1.00 0.00 C ATOM 598 O CYS A 84 8.297 -4.762 -2.967 1.00 0.00 O ATOM 599 CB CYS A 84 7.110 -6.788 -0.882 1.00 0.00 C ATOM 600 SG CYS A 84 8.453 -7.841 -1.523 1.00 0.00 S ATOM 0 H CYS A 84 6.507 -7.593 -3.167 1.00 0.00 H new ATOM 0 HA CYS A 84 5.491 -5.547 -1.533 1.00 0.00 H new ATOM 0 HB2 CYS A 84 7.508 -6.160 -0.085 1.00 0.00 H new ATOM 0 HB3 CYS A 84 6.348 -7.426 -0.435 1.00 0.00 H new ATOM 605 N PRO A 85 7.001 -3.507 -1.619 1.00 0.00 N ATOM 606 CA PRO A 85 7.775 -2.269 -1.824 1.00 0.00 C ATOM 607 C PRO A 85 9.208 -2.362 -1.282 1.00 0.00 C ATOM 608 O PRO A 85 9.606 -1.598 -0.403 1.00 0.00 O ATOM 609 CB PRO A 85 6.971 -1.215 -1.054 1.00 0.00 C ATOM 610 CG PRO A 85 6.192 -1.991 -0.049 1.00 0.00 C ATOM 611 CD PRO A 85 5.857 -3.295 -0.711 1.00 0.00 C ATOM 0 HA PRO A 85 7.898 -2.042 -2.883 1.00 0.00 H new ATOM 0 HB2 PRO A 85 7.628 -0.491 -0.572 1.00 0.00 H new ATOM 0 HB3 PRO A 85 6.313 -0.656 -1.719 1.00 0.00 H new ATOM 0 HG2 PRO A 85 6.774 -2.151 0.858 1.00 0.00 H new ATOM 0 HG3 PRO A 85 5.288 -1.457 0.243 1.00 0.00 H new ATOM 0 HD2 PRO A 85 5.761 -4.103 0.014 1.00 0.00 H new ATOM 0 HD3 PRO A 85 4.914 -3.241 -1.255 1.00 0.00 H new ATOM 619 N GLU A 86 9.980 -3.303 -1.825 1.00 0.00 N ATOM 620 CA GLU A 86 11.371 -3.506 -1.414 1.00 0.00 C ATOM 621 C GLU A 86 12.286 -2.409 -1.965 1.00 0.00 C ATOM 622 O GLU A 86 13.397 -2.196 -1.459 1.00 0.00 O ATOM 623 CB GLU A 86 11.867 -4.866 -1.910 1.00 0.00 C ATOM 624 CG GLU A 86 13.300 -5.164 -1.520 1.00 0.00 C ATOM 625 CD GLU A 86 13.917 -6.305 -2.303 1.00 0.00 C ATOM 626 OE1 GLU A 86 13.426 -6.608 -3.407 1.00 0.00 O ATOM 627 OE2 GLU A 86 14.904 -6.886 -1.812 1.00 0.00 O ATOM 0 H GLU A 86 9.664 -3.941 -2.555 1.00 0.00 H new ATOM 0 HA GLU A 86 11.403 -3.468 -0.325 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.220 -5.647 -1.511 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.779 -4.902 -2.996 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.902 -4.267 -1.666 1.00 0.00 H new ATOM 0 HG3 GLU A 86 13.336 -5.402 -0.457 1.00 0.00 H new ATOM 634 N TYR A 87 11.836 -1.733 -3.016 1.00 0.00 N ATOM 635 CA TYR A 87 12.628 -0.684 -3.639 1.00 0.00 C ATOM 636 C TYR A 87 12.605 0.603 -2.824 1.00 0.00 C ATOM 637 O TYR A 87 11.868 1.544 -3.125 1.00 0.00 O ATOM 638 CB TYR A 87 12.159 -0.445 -5.073 1.00 0.00 C ATOM 639 CG TYR A 87 13.040 -1.126 -6.091 1.00 0.00 C ATOM 640 CD1 TYR A 87 13.328 -2.477 -5.979 1.00 0.00 C ATOM 641 CD2 TYR A 87 13.604 -0.421 -7.146 1.00 0.00 C ATOM 642 CE1 TYR A 87 14.148 -3.112 -6.887 1.00 0.00 C ATOM 643 CE2 TYR A 87 14.428 -1.051 -8.061 1.00 0.00 C ATOM 644 CZ TYR A 87 14.698 -2.395 -7.925 1.00 0.00 C ATOM 645 OH TYR A 87 15.519 -3.024 -8.831 1.00 0.00 O ATOM 0 H TYR A 87 10.928 -1.894 -3.453 1.00 0.00 H new ATOM 0 HA TYR A 87 13.665 -1.019 -3.668 1.00 0.00 H new ATOM 0 HB2 TYR A 87 11.137 -0.807 -5.182 1.00 0.00 H new ATOM 0 HB3 TYR A 87 12.141 0.627 -5.272 1.00 0.00 H new ATOM 0 HD1 TYR A 87 12.902 -3.043 -5.164 1.00 0.00 H new ATOM 0 HD2 TYR A 87 13.396 0.633 -7.254 1.00 0.00 H new ATOM 0 HE1 TYR A 87 14.358 -4.166 -6.784 1.00 0.00 H new ATOM 0 HE2 TYR A 87 14.858 -0.492 -8.879 1.00 0.00 H new ATOM 0 HH TYR A 87 15.823 -2.377 -9.501 1.00 0.00 H new ATOM 655 N PHE A 88 13.440 0.624 -1.786 1.00 0.00 N ATOM 656 CA PHE A 88 13.557 1.780 -0.903 1.00 0.00 C ATOM 657 C PHE A 88 14.950 2.425 -0.995 1.00 0.00 C ATOM 658 O PHE A 88 15.285 3.290 -0.186 1.00 0.00 O ATOM 659 CB PHE A 88 13.266 1.362 0.546 1.00 0.00 C ATOM 660 CG PHE A 88 11.817 1.480 0.933 1.00 0.00 C ATOM 661 CD1 PHE A 88 11.148 2.687 0.810 1.00 0.00 C ATOM 662 CD2 PHE A 88 11.126 0.383 1.423 1.00 0.00 C ATOM 663 CE1 PHE A 88 9.818 2.799 1.170 1.00 0.00 C ATOM 664 CE2 PHE A 88 9.797 0.489 1.783 1.00 0.00 C ATOM 665 CZ PHE A 88 9.142 1.698 1.655 1.00 0.00 C ATOM 0 H PHE A 88 14.050 -0.155 -1.536 1.00 0.00 H new ATOM 0 HA PHE A 88 12.825 2.522 -1.223 1.00 0.00 H new ATOM 0 HB2 PHE A 88 13.587 0.330 0.688 1.00 0.00 H new ATOM 0 HB3 PHE A 88 13.863 1.977 1.219 1.00 0.00 H new ATOM 0 HD1 PHE A 88 11.672 3.551 0.428 1.00 0.00 H new ATOM 0 HD2 PHE A 88 11.633 -0.565 1.524 1.00 0.00 H new ATOM 0 HE1 PHE A 88 9.309 3.746 1.072 1.00 0.00 H new ATOM 0 HE2 PHE A 88 9.270 -0.373 2.164 1.00 0.00 H new ATOM 0 HZ PHE A 88 8.102 1.782 1.934 1.00 0.00 H new ATOM 675 N ASN A 89 15.756 2.007 -1.985 1.00 0.00 N ATOM 676 CA ASN A 89 17.109 2.556 -2.174 1.00 0.00 C ATOM 677 C ASN A 89 17.853 1.881 -3.338 1.00 0.00 C ATOM 678 O ASN A 89 18.468 2.559 -4.159 1.00 0.00 O ATOM 679 CB ASN A 89 17.934 2.410 -0.888 1.00 0.00 C ATOM 680 CG ASN A 89 18.384 3.746 -0.329 1.00 0.00 C ATOM 681 OD1 ASN A 89 19.545 4.124 -0.456 1.00 0.00 O ATOM 682 ND2 ASN A 89 17.466 4.469 0.292 1.00 0.00 N ATOM 0 H ASN A 89 15.495 1.293 -2.665 1.00 0.00 H new ATOM 0 HA ASN A 89 16.990 3.612 -2.417 1.00 0.00 H new ATOM 0 HB2 ASN A 89 17.341 1.888 -0.138 1.00 0.00 H new ATOM 0 HB3 ASN A 89 18.809 1.792 -1.090 1.00 0.00 H new ATOM 0 HD21 ASN A 89 17.713 5.377 0.687 1.00 0.00 H new ATOM 0 HD22 ASN A 89 16.512 4.119 0.376 1.00 0.00 H new ATOM 689 N GLY A 90 17.801 0.547 -3.399 1.00 0.00 N ATOM 690 CA GLY A 90 18.487 -0.183 -4.467 1.00 0.00 C ATOM 691 C GLY A 90 19.420 -1.267 -3.945 1.00 0.00 C ATOM 692 O GLY A 90 20.645 -1.146 -4.037 1.00 0.00 O ATOM 0 H GLY A 90 17.300 -0.041 -2.733 1.00 0.00 H new ATOM 0 HA2 GLY A 90 17.745 -0.636 -5.124 1.00 0.00 H new ATOM 0 HA3 GLY A 90 19.060 0.521 -5.071 1.00 0.00 H new ATOM 696 N ILE A 91 18.833 -2.330 -3.402 1.00 0.00 N ATOM 697 CA ILE A 91 19.591 -3.463 -2.852 1.00 0.00 C ATOM 698 C ILE A 91 18.898 -4.791 -3.187 1.00 0.00 C ATOM 699 O ILE A 91 18.492 -5.539 -2.293 1.00 0.00 O ATOM 700 CB ILE A 91 19.736 -3.351 -1.314 1.00 0.00 C ATOM 701 CG1 ILE A 91 20.148 -1.940 -0.890 1.00 0.00 C ATOM 702 CG2 ILE A 91 20.744 -4.362 -0.790 1.00 0.00 C ATOM 703 CD1 ILE A 91 18.987 -0.983 -0.742 1.00 0.00 C ATOM 0 H ILE A 91 17.821 -2.436 -3.328 1.00 0.00 H new ATOM 0 HA ILE A 91 20.582 -3.438 -3.306 1.00 0.00 H new ATOM 0 HB ILE A 91 18.759 -3.567 -0.881 1.00 0.00 H new ATOM 0 HG12 ILE A 91 20.682 -1.997 0.058 1.00 0.00 H new ATOM 0 HG13 ILE A 91 20.846 -1.539 -1.625 1.00 0.00 H new ATOM 0 HG21 ILE A 91 20.829 -4.264 0.292 1.00 0.00 H new ATOM 0 HG22 ILE A 91 20.411 -5.370 -1.038 1.00 0.00 H new ATOM 0 HG23 ILE A 91 21.716 -4.178 -1.248 1.00 0.00 H new ATOM 0 HD11 ILE A 91 19.359 -0.004 -0.439 1.00 0.00 H new ATOM 0 HD12 ILE A 91 18.465 -0.894 -1.695 1.00 0.00 H new ATOM 0 HD13 ILE A 91 18.299 -1.360 0.015 1.00 0.00 H new ATOM 715 N LYS A 92 18.740 -5.065 -4.482 1.00 0.00 N ATOM 716 CA LYS A 92 18.073 -6.292 -4.937 1.00 0.00 C ATOM 717 C LYS A 92 18.119 -6.418 -6.461 1.00 0.00 C ATOM 718 O LYS A 92 18.568 -7.431 -6.986 1.00 0.00 O ATOM 719 CB LYS A 92 16.625 -6.340 -4.421 1.00 0.00 C ATOM 720 CG LYS A 92 15.719 -5.292 -5.024 1.00 0.00 C ATOM 721 CD LYS A 92 16.112 -3.900 -4.562 1.00 0.00 C ATOM 722 CE LYS A 92 15.058 -3.284 -3.671 1.00 0.00 C ATOM 723 NZ LYS A 92 15.509 -3.183 -2.253 1.00 0.00 N ATOM 0 H LYS A 92 19.063 -4.458 -5.235 1.00 0.00 H new ATOM 0 HA LYS A 92 18.613 -7.144 -4.523 1.00 0.00 H new ATOM 0 HB2 LYS A 92 16.210 -7.326 -4.628 1.00 0.00 H new ATOM 0 HB3 LYS A 92 16.633 -6.218 -3.338 1.00 0.00 H new ATOM 0 HG2 LYS A 92 15.769 -5.345 -6.112 1.00 0.00 H new ATOM 0 HG3 LYS A 92 14.686 -5.494 -4.742 1.00 0.00 H new ATOM 0 HD2 LYS A 92 17.059 -3.950 -4.024 1.00 0.00 H new ATOM 0 HD3 LYS A 92 16.272 -3.261 -5.430 1.00 0.00 H new ATOM 0 HE2 LYS A 92 14.806 -2.291 -4.042 1.00 0.00 H new ATOM 0 HE3 LYS A 92 14.148 -3.883 -3.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 14.743 -2.787 -1.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 15.757 -4.129 -1.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 16.342 -2.563 -2.197 1.00 0.00 H new ATOM 737 N TYR A 93 17.687 -5.367 -7.165 1.00 0.00 N ATOM 738 CA TYR A 93 17.716 -5.349 -8.632 1.00 0.00 C ATOM 739 C TYR A 93 17.208 -6.673 -9.228 1.00 0.00 C ATOM 740 O TYR A 93 17.792 -7.209 -10.169 1.00 0.00 O ATOM 741 CB TYR A 93 19.153 -5.045 -9.095 1.00 0.00 C ATOM 742 CG TYR A 93 20.004 -4.451 -7.988 1.00 0.00 C ATOM 743 CD1 TYR A 93 19.870 -3.117 -7.627 1.00 0.00 C ATOM 744 CD2 TYR A 93 20.895 -5.239 -7.269 1.00 0.00 C ATOM 745 CE1 TYR A 93 20.606 -2.584 -6.585 1.00 0.00 C ATOM 746 CE2 TYR A 93 21.637 -4.708 -6.230 1.00 0.00 C ATOM 747 CZ TYR A 93 21.486 -3.384 -5.891 1.00 0.00 C ATOM 748 OH TYR A 93 22.213 -2.859 -4.848 1.00 0.00 O ATOM 0 H TYR A 93 17.313 -4.517 -6.743 1.00 0.00 H new ATOM 0 HA TYR A 93 17.044 -4.570 -8.991 1.00 0.00 H new ATOM 0 HB2 TYR A 93 19.618 -5.963 -9.454 1.00 0.00 H new ATOM 0 HB3 TYR A 93 19.122 -4.353 -9.937 1.00 0.00 H new ATOM 0 HD1 TYR A 93 19.180 -2.486 -8.168 1.00 0.00 H new ATOM 0 HD2 TYR A 93 21.010 -6.282 -7.526 1.00 0.00 H new ATOM 0 HE1 TYR A 93 20.491 -1.544 -6.316 1.00 0.00 H new ATOM 0 HE2 TYR A 93 22.332 -5.331 -5.687 1.00 0.00 H new ATOM 0 HH TYR A 93 21.891 -1.956 -4.647 1.00 0.00 H new ATOM 758 N ASN A 94 16.112 -7.197 -8.664 1.00 0.00 N ATOM 759 CA ASN A 94 15.535 -8.457 -9.136 1.00 0.00 C ATOM 760 C ASN A 94 14.036 -8.567 -8.814 1.00 0.00 C ATOM 761 O ASN A 94 13.199 -8.470 -9.711 1.00 0.00 O ATOM 762 CB ASN A 94 16.297 -9.640 -8.532 1.00 0.00 C ATOM 763 CG ASN A 94 16.421 -10.803 -9.495 1.00 0.00 C ATOM 764 OD1 ASN A 94 15.626 -10.948 -10.420 1.00 0.00 O ATOM 765 ND2 ASN A 94 17.423 -11.640 -9.284 1.00 0.00 N ATOM 0 H ASN A 94 15.611 -6.769 -7.885 1.00 0.00 H new ATOM 0 HA ASN A 94 15.633 -8.476 -10.221 1.00 0.00 H new ATOM 0 HB2 ASN A 94 17.293 -9.312 -8.233 1.00 0.00 H new ATOM 0 HB3 ASN A 94 15.787 -9.974 -7.628 1.00 0.00 H new ATOM 0 HD21 ASN A 94 17.557 -12.441 -9.901 1.00 0.00 H new ATOM 0 HD22 ASN A 94 18.062 -11.484 -8.504 1.00 0.00 H new ATOM 772 N THR A 95 13.702 -8.763 -7.534 1.00 0.00 N ATOM 773 CA THR A 95 12.311 -8.883 -7.095 1.00 0.00 C ATOM 774 C THR A 95 11.545 -9.963 -7.881 1.00 0.00 C ATOM 775 O THR A 95 10.832 -9.661 -8.838 1.00 0.00 O ATOM 776 CB THR A 95 11.597 -7.526 -7.201 1.00 0.00 C ATOM 777 OG1 THR A 95 11.406 -7.119 -8.551 1.00 0.00 O ATOM 778 CG2 THR A 95 12.327 -6.405 -6.493 1.00 0.00 C ATOM 0 H THR A 95 14.384 -8.842 -6.780 1.00 0.00 H new ATOM 0 HA THR A 95 12.325 -9.196 -6.051 1.00 0.00 H new ATOM 0 HB THR A 95 10.637 -7.696 -6.714 1.00 0.00 H new ATOM 0 HG1 THR A 95 11.521 -7.890 -9.145 1.00 0.00 H new ATOM 0 HG21 THR A 95 11.768 -5.477 -6.608 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.420 -6.643 -5.433 1.00 0.00 H new ATOM 0 HG23 THR A 95 13.320 -6.286 -6.927 1.00 0.00 H new ATOM 786 N THR A 96 11.696 -11.226 -7.467 1.00 0.00 N ATOM 787 CA THR A 96 11.015 -12.344 -8.142 1.00 0.00 C ATOM 788 C THR A 96 9.861 -12.925 -7.306 1.00 0.00 C ATOM 789 O THR A 96 9.201 -13.875 -7.732 1.00 0.00 O ATOM 790 CB THR A 96 12.013 -13.458 -8.492 1.00 0.00 C ATOM 791 OG1 THR A 96 13.305 -12.922 -8.733 1.00 0.00 O ATOM 792 CG2 THR A 96 11.610 -14.253 -9.718 1.00 0.00 C ATOM 0 H THR A 96 12.277 -11.501 -6.675 1.00 0.00 H new ATOM 0 HA THR A 96 10.586 -11.937 -9.058 1.00 0.00 H new ATOM 0 HB THR A 96 12.019 -14.123 -7.629 1.00 0.00 H new ATOM 0 HG1 THR A 96 13.925 -13.649 -8.952 1.00 0.00 H new ATOM 0 HG21 THR A 96 12.355 -15.024 -9.913 1.00 0.00 H new ATOM 0 HG22 THR A 96 10.640 -14.720 -9.546 1.00 0.00 H new ATOM 0 HG23 THR A 96 11.544 -13.587 -10.578 1.00 0.00 H new ATOM 800 N ARG A 97 9.608 -12.350 -6.126 1.00 0.00 N ATOM 801 CA ARG A 97 8.520 -12.812 -5.255 1.00 0.00 C ATOM 802 C ARG A 97 7.373 -11.785 -5.239 1.00 0.00 C ATOM 803 O ARG A 97 7.437 -10.775 -5.941 1.00 0.00 O ATOM 804 CB ARG A 97 9.046 -13.061 -3.832 1.00 0.00 C ATOM 805 CG ARG A 97 10.317 -13.905 -3.776 1.00 0.00 C ATOM 806 CD ARG A 97 10.017 -15.378 -3.999 1.00 0.00 C ATOM 807 NE ARG A 97 11.195 -16.229 -3.811 1.00 0.00 N ATOM 808 CZ ARG A 97 11.316 -17.462 -4.284 1.00 0.00 C ATOM 809 NH1 ARG A 97 10.329 -18.022 -4.957 1.00 0.00 N ATOM 810 NH2 ARG A 97 12.429 -18.132 -4.071 1.00 0.00 N ATOM 0 H ARG A 97 10.140 -11.565 -5.751 1.00 0.00 H new ATOM 0 HA ARG A 97 8.132 -13.752 -5.648 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.239 -12.100 -3.354 1.00 0.00 H new ATOM 0 HB3 ARG A 97 8.268 -13.556 -3.250 1.00 0.00 H new ATOM 0 HG2 ARG A 97 11.020 -13.557 -4.533 1.00 0.00 H new ATOM 0 HG3 ARG A 97 10.800 -13.773 -2.808 1.00 0.00 H new ATOM 0 HD2 ARG A 97 9.232 -15.693 -3.311 1.00 0.00 H new ATOM 0 HD3 ARG A 97 9.630 -15.517 -5.009 1.00 0.00 H new ATOM 0 HE ARG A 97 11.977 -15.846 -3.279 1.00 0.00 H new ATOM 0 HH11 ARG A 97 9.464 -17.506 -5.117 1.00 0.00 H new ATOM 0 HH12 ARG A 97 10.431 -18.971 -5.317 1.00 0.00 H new ATOM 0 HH21 ARG A 97 13.190 -17.702 -3.546 1.00 0.00 H new ATOM 0 HH22 ARG A 97 12.530 -19.081 -4.431 1.00 0.00 H new ATOM 824 N ASN A 98 6.325 -12.037 -4.445 1.00 0.00 N ATOM 825 CA ASN A 98 5.185 -11.106 -4.378 1.00 0.00 C ATOM 826 C ASN A 98 4.482 -11.131 -3.018 1.00 0.00 C ATOM 827 O ASN A 98 4.645 -12.056 -2.226 1.00 0.00 O ATOM 828 CB ASN A 98 4.169 -11.430 -5.478 1.00 0.00 C ATOM 829 CG ASN A 98 3.946 -10.282 -6.448 1.00 0.00 C ATOM 830 OD1 ASN A 98 4.850 -9.499 -6.724 1.00 0.00 O ATOM 831 ND2 ASN A 98 2.731 -10.173 -6.972 1.00 0.00 N ATOM 0 H ASN A 98 6.240 -12.861 -3.849 1.00 0.00 H new ATOM 0 HA ASN A 98 5.591 -10.105 -4.523 1.00 0.00 H new ATOM 0 HB2 ASN A 98 4.511 -12.304 -6.033 1.00 0.00 H new ATOM 0 HB3 ASN A 98 3.218 -11.697 -5.017 1.00 0.00 H new ATOM 0 HD21 ASN A 98 2.524 -9.420 -7.628 1.00 0.00 H new ATOM 0 HD22 ASN A 98 2.005 -10.843 -6.719 1.00 0.00 H new ATOM 838 N ALA A 99 3.678 -10.104 -2.777 1.00 0.00 N ATOM 839 CA ALA A 99 2.908 -9.970 -1.540 1.00 0.00 C ATOM 840 C ALA A 99 1.434 -10.279 -1.797 1.00 0.00 C ATOM 841 O ALA A 99 0.857 -9.776 -2.757 1.00 0.00 O ATOM 842 CB ALA A 99 3.062 -8.560 -0.984 1.00 0.00 C ATOM 0 H ALA A 99 3.539 -9.336 -3.434 1.00 0.00 H new ATOM 0 HA ALA A 99 3.289 -10.683 -0.808 1.00 0.00 H new ATOM 0 HB1 ALA A 99 2.486 -8.467 -0.063 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.114 -8.364 -0.776 1.00 0.00 H new ATOM 0 HB3 ALA A 99 2.696 -7.839 -1.715 1.00 0.00 H new ATOM 848 N TYR A 100 0.832 -11.108 -0.949 1.00 0.00 N ATOM 849 CA TYR A 100 -0.573 -11.479 -1.113 1.00 0.00 C ATOM 850 C TYR A 100 -1.444 -10.911 0.006 1.00 0.00 C ATOM 851 O TYR A 100 -1.270 -11.257 1.177 1.00 0.00 O ATOM 852 CB TYR A 100 -0.705 -13.004 -1.174 1.00 0.00 C ATOM 853 CG TYR A 100 0.143 -13.631 -2.259 1.00 0.00 C ATOM 854 CD1 TYR A 100 1.514 -13.790 -2.093 1.00 0.00 C ATOM 855 CD2 TYR A 100 -0.424 -14.048 -3.454 1.00 0.00 C ATOM 856 CE1 TYR A 100 2.292 -14.351 -3.087 1.00 0.00 C ATOM 857 CE2 TYR A 100 0.347 -14.609 -4.452 1.00 0.00 C ATOM 858 CZ TYR A 100 1.705 -14.757 -4.263 1.00 0.00 C ATOM 859 OH TYR A 100 2.484 -15.311 -5.253 1.00 0.00 O ATOM 0 H TYR A 100 1.291 -11.535 -0.144 1.00 0.00 H new ATOM 0 HA TYR A 100 -0.927 -11.048 -2.050 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -0.421 -13.426 -0.210 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -1.750 -13.266 -1.341 1.00 0.00 H new ATOM 0 HD1 TYR A 100 1.978 -13.470 -1.172 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -1.487 -13.932 -3.606 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.356 -14.470 -2.942 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -0.111 -14.930 -5.376 1.00 0.00 H new ATOM 0 HH TYR A 100 1.920 -15.547 -6.019 1.00 0.00 H new ATOM 869 N ARG A 101 -2.380 -10.035 -0.369 1.00 0.00 N ATOM 870 CA ARG A 101 -3.288 -9.415 0.592 1.00 0.00 C ATOM 871 C ARG A 101 -4.745 -9.655 0.187 1.00 0.00 C ATOM 872 O ARG A 101 -5.263 -9.020 -0.732 1.00 0.00 O ATOM 873 CB ARG A 101 -3.005 -7.914 0.706 1.00 0.00 C ATOM 874 CG ARG A 101 -3.482 -7.311 2.018 1.00 0.00 C ATOM 875 CD ARG A 101 -2.671 -6.088 2.401 1.00 0.00 C ATOM 876 NE ARG A 101 -3.514 -4.905 2.608 1.00 0.00 N ATOM 877 CZ ARG A 101 -3.209 -3.916 3.445 1.00 0.00 C ATOM 878 NH1 ARG A 101 -2.118 -3.978 4.177 1.00 0.00 N ATOM 879 NH2 ARG A 101 -4.005 -2.870 3.553 1.00 0.00 N ATOM 0 H ARG A 101 -2.527 -9.740 -1.334 1.00 0.00 H new ATOM 0 HA ARG A 101 -3.121 -9.873 1.567 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -1.933 -7.744 0.604 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -3.489 -7.396 -0.122 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -4.534 -7.038 1.932 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -3.410 -8.058 2.809 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -2.111 -6.297 3.313 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -1.941 -5.879 1.619 1.00 0.00 H new ATOM 0 HE ARG A 101 -4.384 -4.837 2.080 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -1.501 -4.787 4.105 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -1.889 -3.217 4.817 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -4.857 -2.817 2.994 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -3.769 -2.114 4.195 1.00 0.00 H new ATOM 893 N GLU A 102 -5.392 -10.593 0.874 1.00 0.00 N ATOM 894 CA GLU A 102 -6.782 -10.944 0.589 1.00 0.00 C ATOM 895 C GLU A 102 -7.759 -10.125 1.436 1.00 0.00 C ATOM 896 O GLU A 102 -7.614 -10.036 2.658 1.00 0.00 O ATOM 897 CB GLU A 102 -7.001 -12.439 0.842 1.00 0.00 C ATOM 898 CG GLU A 102 -8.192 -13.021 0.094 1.00 0.00 C ATOM 899 CD GLU A 102 -8.221 -14.536 0.130 1.00 0.00 C ATOM 900 OE1 GLU A 102 -8.540 -15.096 1.201 1.00 0.00 O ATOM 901 OE2 GLU A 102 -7.930 -15.160 -0.910 1.00 0.00 O ATOM 0 H GLU A 102 -4.974 -11.127 1.636 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.977 -10.714 -0.459 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -6.101 -12.982 0.553 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -7.141 -12.600 1.911 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -9.113 -12.634 0.529 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.163 -12.687 -0.943 1.00 0.00 H new ATOM 908 N CYS A 103 -8.764 -9.542 0.779 1.00 0.00 N ATOM 909 CA CYS A 103 -9.777 -8.746 1.483 1.00 0.00 C ATOM 910 C CYS A 103 -10.626 -9.643 2.390 1.00 0.00 C ATOM 911 O CYS A 103 -11.156 -10.666 1.947 1.00 0.00 O ATOM 912 CB CYS A 103 -10.670 -7.999 0.488 1.00 0.00 C ATOM 913 SG CYS A 103 -10.075 -6.327 0.063 1.00 0.00 S ATOM 0 H CYS A 103 -8.900 -9.604 -0.230 1.00 0.00 H new ATOM 0 HA CYS A 103 -9.263 -8.010 2.101 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -10.749 -8.588 -0.426 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -11.674 -7.921 0.905 1.00 0.00 H new ATOM 918 N LEU A 104 -10.741 -9.257 3.659 1.00 0.00 N ATOM 919 CA LEU A 104 -11.508 -10.021 4.646 1.00 0.00 C ATOM 920 C LEU A 104 -12.985 -10.137 4.266 1.00 0.00 C ATOM 921 O LEU A 104 -13.560 -9.236 3.650 1.00 0.00 O ATOM 922 CB LEU A 104 -11.372 -9.388 6.035 1.00 0.00 C ATOM 923 CG LEU A 104 -9.953 -9.371 6.608 1.00 0.00 C ATOM 924 CD1 LEU A 104 -9.881 -8.468 7.827 1.00 0.00 C ATOM 925 CD2 LEU A 104 -9.509 -10.778 6.969 1.00 0.00 C ATOM 0 H LEU A 104 -10.309 -8.412 4.032 1.00 0.00 H new ATOM 0 HA LEU A 104 -11.093 -11.029 4.665 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -11.739 -8.363 5.987 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -12.020 -9.927 6.727 1.00 0.00 H new ATOM 0 HG LEU A 104 -9.280 -8.978 5.845 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -8.865 -8.469 8.221 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -10.160 -7.453 7.545 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -10.566 -8.834 8.592 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.498 -10.748 7.375 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -10.187 -11.193 7.715 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -9.523 -11.404 6.077 1.00 0.00 H new ATOM 937 N GLU A 105 -13.585 -11.262 4.654 1.00 0.00 N ATOM 938 CA GLU A 105 -14.998 -11.551 4.378 1.00 0.00 C ATOM 939 C GLU A 105 -15.927 -10.479 4.953 1.00 0.00 C ATOM 940 O GLU A 105 -16.896 -10.078 4.307 1.00 0.00 O ATOM 941 CB GLU A 105 -15.379 -12.919 4.954 1.00 0.00 C ATOM 942 CG GLU A 105 -14.774 -14.096 4.202 1.00 0.00 C ATOM 943 CD GLU A 105 -15.704 -15.293 4.143 1.00 0.00 C ATOM 944 OE1 GLU A 105 -15.981 -15.885 5.207 1.00 0.00 O ATOM 945 OE2 GLU A 105 -16.154 -15.634 3.031 1.00 0.00 O ATOM 0 H GLU A 105 -13.107 -12.001 5.169 1.00 0.00 H new ATOM 0 HA GLU A 105 -15.121 -11.556 3.295 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -15.062 -12.965 5.996 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -16.465 -13.015 4.947 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -14.525 -13.784 3.188 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -13.841 -14.389 4.684 1.00 0.00 H new ATOM 952 N ASN A 106 -15.627 -10.017 6.169 1.00 0.00 N ATOM 953 CA ASN A 106 -16.438 -8.988 6.825 1.00 0.00 C ATOM 954 C ASN A 106 -16.493 -7.693 6.000 1.00 0.00 C ATOM 955 O ASN A 106 -17.373 -6.860 6.210 1.00 0.00 O ATOM 956 CB ASN A 106 -15.895 -8.698 8.231 1.00 0.00 C ATOM 957 CG ASN A 106 -16.200 -9.814 9.213 1.00 0.00 C ATOM 958 OD1 ASN A 106 -17.348 -10.220 9.371 1.00 0.00 O ATOM 959 ND2 ASN A 106 -15.173 -10.317 9.882 1.00 0.00 N ATOM 0 H ASN A 106 -14.830 -10.338 6.719 1.00 0.00 H new ATOM 0 HA ASN A 106 -17.455 -9.372 6.905 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -14.816 -8.550 8.177 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -16.326 -7.767 8.599 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -15.322 -11.068 10.556 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -14.233 -9.953 9.723 1.00 0.00 H new ATOM 966 N GLY A 107 -15.554 -7.534 5.058 1.00 0.00 N ATOM 967 CA GLY A 107 -15.527 -6.345 4.215 1.00 0.00 C ATOM 968 C GLY A 107 -14.375 -5.410 4.538 1.00 0.00 C ATOM 969 O GLY A 107 -14.567 -4.197 4.625 1.00 0.00 O ATOM 0 H GLY A 107 -14.813 -8.209 4.866 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -15.458 -6.649 3.171 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -16.467 -5.806 4.328 1.00 0.00 H new ATOM 973 N THR A 108 -13.175 -5.968 4.715 1.00 0.00 N ATOM 974 CA THR A 108 -11.990 -5.157 5.031 1.00 0.00 C ATOM 975 C THR A 108 -10.708 -5.798 4.482 1.00 0.00 C ATOM 976 O THR A 108 -10.767 -6.756 3.715 1.00 0.00 O ATOM 977 CB THR A 108 -11.875 -4.953 6.549 1.00 0.00 C ATOM 978 OG1 THR A 108 -11.851 -6.195 7.224 1.00 0.00 O ATOM 979 CG2 THR A 108 -13.010 -4.146 7.139 1.00 0.00 C ATOM 0 H THR A 108 -12.996 -6.970 4.646 1.00 0.00 H new ATOM 0 HA THR A 108 -12.111 -4.187 4.549 1.00 0.00 H new ATOM 0 HB THR A 108 -10.944 -4.403 6.688 1.00 0.00 H new ATOM 0 HG1 THR A 108 -11.776 -6.041 8.189 1.00 0.00 H new ATOM 0 HG21 THR A 108 -12.862 -4.042 8.214 1.00 0.00 H new ATOM 0 HG22 THR A 108 -13.032 -3.158 6.679 1.00 0.00 H new ATOM 0 HG23 THR A 108 -13.955 -4.655 6.950 1.00 0.00 H new ATOM 987 N TRP A 109 -9.551 -5.262 4.872 1.00 0.00 N ATOM 988 CA TRP A 109 -8.264 -5.790 4.413 1.00 0.00 C ATOM 989 C TRP A 109 -7.633 -6.704 5.461 1.00 0.00 C ATOM 990 O TRP A 109 -7.875 -6.551 6.659 1.00 0.00 O ATOM 991 CB TRP A 109 -7.291 -4.651 4.112 1.00 0.00 C ATOM 992 CG TRP A 109 -7.463 -4.043 2.758 1.00 0.00 C ATOM 993 CD1 TRP A 109 -7.975 -2.813 2.487 1.00 0.00 C ATOM 994 CD2 TRP A 109 -7.119 -4.624 1.492 1.00 0.00 C ATOM 995 NE1 TRP A 109 -7.963 -2.585 1.137 1.00 0.00 N ATOM 996 CE2 TRP A 109 -7.445 -3.678 0.503 1.00 0.00 C ATOM 997 CE3 TRP A 109 -6.565 -5.845 1.097 1.00 0.00 C ATOM 998 CZ2 TRP A 109 -7.237 -3.911 -0.852 1.00 0.00 C ATOM 999 CZ3 TRP A 109 -6.359 -6.078 -0.250 1.00 0.00 C ATOM 1000 CH2 TRP A 109 -6.693 -5.114 -1.211 1.00 0.00 C ATOM 0 H TRP A 109 -9.478 -4.464 5.503 1.00 0.00 H new ATOM 0 HA TRP A 109 -8.458 -6.363 3.506 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -7.414 -3.873 4.866 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -6.271 -5.025 4.204 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -8.338 -2.117 3.229 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -8.289 -1.734 0.678 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -6.303 -6.593 1.831 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -7.495 -3.170 -1.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -5.934 -7.019 -0.567 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -6.517 -5.325 -2.256 1.00 0.00 H new ATOM 1011 N ALA A 110 -6.801 -7.634 5.005 1.00 0.00 N ATOM 1012 CA ALA A 110 -6.114 -8.553 5.905 1.00 0.00 C ATOM 1013 C ALA A 110 -4.973 -7.842 6.642 1.00 0.00 C ATOM 1014 O ALA A 110 -4.116 -7.212 6.017 1.00 0.00 O ATOM 1015 CB ALA A 110 -5.592 -9.751 5.126 1.00 0.00 C ATOM 0 H ALA A 110 -6.586 -7.771 4.017 1.00 0.00 H new ATOM 0 HA ALA A 110 -6.824 -8.906 6.653 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -5.080 -10.432 5.806 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -6.426 -10.269 4.653 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -4.895 -9.411 4.360 1.00 0.00 H new ATOM 1021 N SER A 111 -4.975 -7.941 7.973 1.00 0.00 N ATOM 1022 CA SER A 111 -3.946 -7.302 8.803 1.00 0.00 C ATOM 1023 C SER A 111 -2.545 -7.783 8.422 1.00 0.00 C ATOM 1024 O SER A 111 -1.665 -6.978 8.124 1.00 0.00 O ATOM 1025 CB SER A 111 -4.213 -7.571 10.290 1.00 0.00 C ATOM 1026 OG SER A 111 -5.043 -8.712 10.469 1.00 0.00 O ATOM 0 H SER A 111 -5.678 -8.458 8.502 1.00 0.00 H new ATOM 0 HA SER A 111 -3.994 -6.228 8.623 1.00 0.00 H new ATOM 0 HB2 SER A 111 -3.267 -7.722 10.810 1.00 0.00 H new ATOM 0 HB3 SER A 111 -4.688 -6.699 10.740 1.00 0.00 H new ATOM 0 HG SER A 111 -5.194 -8.860 11.426 1.00 0.00 H new ATOM 1032 N ARG A 112 -2.349 -9.100 8.422 1.00 0.00 N ATOM 1033 CA ARG A 112 -1.057 -9.683 8.060 1.00 0.00 C ATOM 1034 C ARG A 112 -1.006 -9.962 6.555 1.00 0.00 C ATOM 1035 O ARG A 112 -1.945 -10.527 5.993 1.00 0.00 O ATOM 1036 CB ARG A 112 -0.808 -10.979 8.844 1.00 0.00 C ATOM 1037 CG ARG A 112 -0.978 -10.832 10.351 1.00 0.00 C ATOM 1038 CD ARG A 112 0.211 -10.127 10.988 1.00 0.00 C ATOM 1039 NE ARG A 112 1.421 -10.958 10.978 1.00 0.00 N ATOM 1040 CZ ARG A 112 1.669 -11.942 11.838 1.00 0.00 C ATOM 1041 NH1 ARG A 112 0.792 -12.256 12.772 1.00 0.00 N ATOM 1042 NH2 ARG A 112 2.801 -12.613 11.757 1.00 0.00 N ATOM 0 H ARG A 112 -3.066 -9.783 8.668 1.00 0.00 H new ATOM 0 HA ARG A 112 -0.275 -8.968 8.315 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -1.493 -11.747 8.484 1.00 0.00 H new ATOM 0 HB3 ARG A 112 0.203 -11.330 8.635 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -1.889 -10.271 10.561 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -1.100 -11.817 10.801 1.00 0.00 H new ATOM 0 HD2 ARG A 112 0.407 -9.197 10.455 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -0.035 -9.860 12.016 1.00 0.00 H new ATOM 0 HE ARG A 112 2.121 -10.767 10.261 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -0.087 -11.742 12.840 1.00 0.00 H new ATOM 0 HH12 ARG A 112 0.993 -13.012 13.426 1.00 0.00 H new ATOM 0 HH21 ARG A 112 3.483 -12.377 11.037 1.00 0.00 H new ATOM 0 HH22 ARG A 112 2.994 -13.368 12.415 1.00 0.00 H new ATOM 1056 N VAL A 113 0.087 -9.561 5.904 1.00 0.00 N ATOM 1057 CA VAL A 113 0.240 -9.772 4.462 1.00 0.00 C ATOM 1058 C VAL A 113 1.294 -10.843 4.166 1.00 0.00 C ATOM 1059 O VAL A 113 2.296 -10.957 4.877 1.00 0.00 O ATOM 1060 CB VAL A 113 0.628 -8.468 3.729 1.00 0.00 C ATOM 1061 CG1 VAL A 113 0.226 -8.534 2.265 1.00 0.00 C ATOM 1062 CG2 VAL A 113 0.002 -7.252 4.398 1.00 0.00 C ATOM 0 H VAL A 113 0.876 -9.091 6.348 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.730 -10.107 4.094 1.00 0.00 H new ATOM 0 HB VAL A 113 1.712 -8.364 3.787 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.508 -7.606 1.768 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.733 -9.371 1.786 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.853 -8.672 2.190 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.293 -6.350 3.860 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.084 -7.348 4.384 1.00 0.00 H new ATOM 0 HG23 VAL A 113 0.348 -7.186 5.430 1.00 0.00 H new ATOM 1072 N ASN A 114 1.066 -11.631 3.117 1.00 0.00 N ATOM 1073 CA ASN A 114 2.002 -12.693 2.744 1.00 0.00 C ATOM 1074 C ASN A 114 3.240 -12.127 2.034 1.00 0.00 C ATOM 1075 O ASN A 114 3.410 -12.296 0.822 1.00 0.00 O ATOM 1076 CB ASN A 114 1.299 -13.728 1.861 1.00 0.00 C ATOM 1077 CG ASN A 114 0.806 -14.919 2.655 1.00 0.00 C ATOM 1078 OD1 ASN A 114 1.594 -15.743 3.110 1.00 0.00 O ATOM 1079 ND2 ASN A 114 -0.503 -15.015 2.830 1.00 0.00 N ATOM 0 H ASN A 114 0.247 -11.556 2.513 1.00 0.00 H new ATOM 0 HA ASN A 114 2.342 -13.180 3.658 1.00 0.00 H new ATOM 0 HB2 ASN A 114 0.456 -13.258 1.354 1.00 0.00 H new ATOM 0 HB3 ASN A 114 1.986 -14.069 1.087 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -0.891 -15.796 3.360 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -1.124 -14.308 2.435 1.00 0.00 H new ATOM 1086 N TYR A 115 4.102 -11.459 2.804 1.00 0.00 N ATOM 1087 CA TYR A 115 5.331 -10.864 2.257 1.00 0.00 C ATOM 1088 C TYR A 115 6.603 -11.473 2.868 1.00 0.00 C ATOM 1089 O TYR A 115 7.702 -10.957 2.653 1.00 0.00 O ATOM 1090 CB TYR A 115 5.339 -9.340 2.465 1.00 0.00 C ATOM 1091 CG TYR A 115 4.848 -8.875 3.828 1.00 0.00 C ATOM 1092 CD1 TYR A 115 5.292 -9.470 5.007 1.00 0.00 C ATOM 1093 CD2 TYR A 115 3.933 -7.839 3.928 1.00 0.00 C ATOM 1094 CE1 TYR A 115 4.830 -9.042 6.241 1.00 0.00 C ATOM 1095 CE2 TYR A 115 3.469 -7.407 5.155 1.00 0.00 C ATOM 1096 CZ TYR A 115 3.917 -8.011 6.305 1.00 0.00 C ATOM 1097 OH TYR A 115 3.453 -7.578 7.523 1.00 0.00 O ATOM 0 H TYR A 115 3.975 -11.315 3.806 1.00 0.00 H new ATOM 0 HA TYR A 115 5.334 -11.088 1.190 1.00 0.00 H new ATOM 0 HB2 TYR A 115 6.355 -8.973 2.317 1.00 0.00 H new ATOM 0 HB3 TYR A 115 4.719 -8.880 1.696 1.00 0.00 H new ATOM 0 HD1 TYR A 115 6.008 -10.277 4.958 1.00 0.00 H new ATOM 0 HD2 TYR A 115 3.576 -7.360 3.028 1.00 0.00 H new ATOM 0 HE1 TYR A 115 5.183 -9.513 7.147 1.00 0.00 H new ATOM 0 HE2 TYR A 115 2.757 -6.597 5.210 1.00 0.00 H new ATOM 0 HH TYR A 115 4.201 -7.236 8.055 1.00 0.00 H new ATOM 1107 N SER A 116 6.457 -12.571 3.622 1.00 0.00 N ATOM 1108 CA SER A 116 7.606 -13.239 4.259 1.00 0.00 C ATOM 1109 C SER A 116 8.683 -13.654 3.244 1.00 0.00 C ATOM 1110 O SER A 116 9.806 -13.981 3.630 1.00 0.00 O ATOM 1111 CB SER A 116 7.143 -14.470 5.049 1.00 0.00 C ATOM 1112 OG SER A 116 7.324 -14.279 6.443 1.00 0.00 O ATOM 0 H SER A 116 5.558 -13.016 3.807 1.00 0.00 H new ATOM 0 HA SER A 116 8.053 -12.512 4.937 1.00 0.00 H new ATOM 0 HB2 SER A 116 6.092 -14.667 4.839 1.00 0.00 H new ATOM 0 HB3 SER A 116 7.702 -15.347 4.723 1.00 0.00 H new ATOM 0 HG SER A 116 7.020 -15.076 6.925 1.00 0.00 H new ATOM 1118 N HIS A 117 8.339 -13.646 1.954 1.00 0.00 N ATOM 1119 CA HIS A 117 9.282 -14.028 0.897 1.00 0.00 C ATOM 1120 C HIS A 117 9.914 -12.806 0.213 1.00 0.00 C ATOM 1121 O HIS A 117 10.536 -12.944 -0.840 1.00 0.00 O ATOM 1122 CB HIS A 117 8.588 -14.900 -0.164 1.00 0.00 C ATOM 1123 CG HIS A 117 7.123 -14.663 -0.279 1.00 0.00 C ATOM 1124 ND1 HIS A 117 6.190 -15.260 0.539 1.00 0.00 N ATOM 1125 CD2 HIS A 117 6.437 -13.871 -1.114 1.00 0.00 C ATOM 1126 CE1 HIS A 117 4.985 -14.836 0.206 1.00 0.00 C ATOM 1127 NE2 HIS A 117 5.107 -13.989 -0.798 1.00 0.00 N ATOM 0 H HIS A 117 7.415 -13.379 1.615 1.00 0.00 H new ATOM 0 HA HIS A 117 10.077 -14.597 1.379 1.00 0.00 H new ATOM 0 HB2 HIS A 117 9.053 -14.715 -1.132 1.00 0.00 H new ATOM 0 HB3 HIS A 117 8.758 -15.950 0.075 1.00 0.00 H new ATOM 0 HD2 HIS A 117 6.855 -13.252 -1.894 1.00 0.00 H new ATOM 0 HE1 HIS A 117 4.058 -15.132 0.675 1.00 0.00 H new ATOM 0 HE2 HIS A 117 4.340 -13.503 -1.262 1.00 0.00 H new ATOM 1136 N CYS A 118 9.766 -11.612 0.801 1.00 0.00 N ATOM 1137 CA CYS A 118 10.347 -10.400 0.207 1.00 0.00 C ATOM 1138 C CYS A 118 11.875 -10.431 0.306 1.00 0.00 C ATOM 1139 O CYS A 118 12.477 -9.686 1.082 1.00 0.00 O ATOM 1140 CB CYS A 118 9.790 -9.139 0.880 1.00 0.00 C ATOM 1141 SG CYS A 118 9.927 -7.633 -0.141 1.00 0.00 S ATOM 0 H CYS A 118 9.258 -11.459 1.672 1.00 0.00 H new ATOM 0 HA CYS A 118 10.069 -10.373 -0.847 1.00 0.00 H new ATOM 0 HB2 CYS A 118 8.741 -9.304 1.127 1.00 0.00 H new ATOM 0 HB3 CYS A 118 10.318 -8.978 1.820 1.00 0.00 H new ATOM 1146 N GLU A 119 12.489 -11.319 -0.478 1.00 0.00 N ATOM 1147 CA GLU A 119 13.944 -11.487 -0.487 1.00 0.00 C ATOM 1148 C GLU A 119 14.610 -10.677 -1.607 1.00 0.00 C ATOM 1149 O GLU A 119 14.020 -10.459 -2.667 1.00 0.00 O ATOM 1150 CB GLU A 119 14.306 -12.976 -0.620 1.00 0.00 C ATOM 1151 CG GLU A 119 13.610 -13.707 -1.765 1.00 0.00 C ATOM 1152 CD GLU A 119 14.089 -15.141 -1.927 1.00 0.00 C ATOM 1153 OE1 GLU A 119 15.227 -15.450 -1.512 1.00 0.00 O ATOM 1154 OE2 GLU A 119 13.320 -15.958 -2.474 1.00 0.00 O ATOM 0 H GLU A 119 11.996 -11.939 -1.121 1.00 0.00 H new ATOM 0 HA GLU A 119 14.323 -11.106 0.461 1.00 0.00 H new ATOM 0 HB2 GLU A 119 15.384 -13.062 -0.755 1.00 0.00 H new ATOM 0 HB3 GLU A 119 14.061 -13.479 0.315 1.00 0.00 H new ATOM 0 HG2 GLU A 119 12.534 -13.706 -1.590 1.00 0.00 H new ATOM 0 HG3 GLU A 119 13.782 -13.164 -2.694 1.00 0.00 H new ATOM 1161 N PRO A 120 15.860 -10.210 -1.374 1.00 0.00 N ATOM 1162 CA PRO A 120 16.603 -9.419 -2.356 1.00 0.00 C ATOM 1163 C PRO A 120 17.340 -10.276 -3.400 1.00 0.00 C ATOM 1164 O PRO A 120 16.769 -10.637 -4.427 1.00 0.00 O ATOM 1165 CB PRO A 120 17.594 -8.634 -1.489 1.00 0.00 C ATOM 1166 CG PRO A 120 17.811 -9.472 -0.264 1.00 0.00 C ATOM 1167 CD PRO A 120 16.632 -10.411 -0.134 1.00 0.00 C ATOM 0 HA PRO A 120 15.941 -8.792 -2.954 1.00 0.00 H new ATOM 0 HB2 PRO A 120 18.531 -8.466 -2.020 1.00 0.00 H new ATOM 0 HB3 PRO A 120 17.195 -7.654 -1.228 1.00 0.00 H new ATOM 0 HG2 PRO A 120 18.741 -10.035 -0.345 1.00 0.00 H new ATOM 0 HG3 PRO A 120 17.897 -8.841 0.621 1.00 0.00 H new ATOM 0 HD2 PRO A 120 16.958 -11.446 -0.033 1.00 0.00 H new ATOM 0 HD3 PRO A 120 16.035 -10.178 0.747 1.00 0.00 H new ATOM 1175 N ILE A 121 18.616 -10.574 -3.126 1.00 0.00 N ATOM 1176 CA ILE A 121 19.469 -11.360 -4.016 1.00 0.00 C ATOM 1177 C ILE A 121 20.659 -11.917 -3.210 1.00 0.00 C ATOM 1178 O ILE A 121 20.478 -12.324 -2.061 1.00 0.00 O ATOM 1179 CB ILE A 121 19.973 -10.508 -5.226 1.00 0.00 C ATOM 1180 CG1 ILE A 121 20.804 -9.296 -4.764 1.00 0.00 C ATOM 1181 CG2 ILE A 121 18.806 -10.045 -6.089 1.00 0.00 C ATOM 1182 CD1 ILE A 121 20.095 -8.387 -3.784 1.00 0.00 C ATOM 0 H ILE A 121 19.086 -10.272 -2.273 1.00 0.00 H new ATOM 0 HA ILE A 121 18.885 -12.184 -4.425 1.00 0.00 H new ATOM 0 HB ILE A 121 20.619 -11.151 -5.824 1.00 0.00 H new ATOM 0 HG12 ILE A 121 21.725 -9.656 -4.305 1.00 0.00 H new ATOM 0 HG13 ILE A 121 21.091 -8.713 -5.639 1.00 0.00 H new ATOM 0 HG21 ILE A 121 19.183 -9.454 -6.924 1.00 0.00 H new ATOM 0 HG22 ILE A 121 18.270 -10.913 -6.472 1.00 0.00 H new ATOM 0 HG23 ILE A 121 18.130 -9.436 -5.490 1.00 0.00 H new ATOM 0 HD11 ILE A 121 20.753 -7.561 -3.513 1.00 0.00 H new ATOM 0 HD12 ILE A 121 19.188 -7.993 -4.243 1.00 0.00 H new ATOM 0 HD13 ILE A 121 19.833 -8.951 -2.889 1.00 0.00 H new ATOM 1194 N LEU A 122 21.867 -11.924 -3.786 1.00 0.00 N ATOM 1195 CA LEU A 122 23.056 -12.418 -3.082 1.00 0.00 C ATOM 1196 C LEU A 122 23.074 -11.943 -1.623 1.00 0.00 C ATOM 1197 O LEU A 122 23.434 -12.696 -0.717 1.00 0.00 O ATOM 1198 CB LEU A 122 24.327 -11.947 -3.803 1.00 0.00 C ATOM 1199 CG LEU A 122 25.648 -12.550 -3.299 1.00 0.00 C ATOM 1200 CD1 LEU A 122 26.230 -11.713 -2.169 1.00 0.00 C ATOM 1201 CD2 LEU A 122 25.451 -13.987 -2.845 1.00 0.00 C ATOM 0 H LEU A 122 22.047 -11.594 -4.734 1.00 0.00 H new ATOM 0 HA LEU A 122 23.022 -13.507 -3.084 1.00 0.00 H new ATOM 0 HB2 LEU A 122 24.226 -12.178 -4.864 1.00 0.00 H new ATOM 0 HB3 LEU A 122 24.389 -10.862 -3.717 1.00 0.00 H new ATOM 0 HG LEU A 122 26.354 -12.546 -4.129 1.00 0.00 H new ATOM 0 HD11 LEU A 122 27.164 -12.160 -1.829 1.00 0.00 H new ATOM 0 HD12 LEU A 122 26.421 -10.701 -2.527 1.00 0.00 H new ATOM 0 HD13 LEU A 122 25.522 -11.678 -1.341 1.00 0.00 H new ATOM 0 HD21 LEU A 122 26.400 -14.391 -2.493 1.00 0.00 H new ATOM 0 HD22 LEU A 122 24.722 -14.016 -2.035 1.00 0.00 H new ATOM 0 HD23 LEU A 122 25.089 -14.586 -3.681 1.00 0.00 H new TER 1213 LEU A 122 ATOM 1214 N LEU B 227 23.606 -1.892 1.290 1.00 0.00 N ATOM 1215 CA LEU B 227 23.337 -3.275 0.951 1.00 0.00 C ATOM 1216 C LEU B 227 23.138 -4.102 2.217 1.00 0.00 C ATOM 1217 O LEU B 227 22.613 -5.216 2.175 1.00 0.00 O ATOM 1218 CB LEU B 227 24.488 -3.827 0.119 1.00 0.00 C ATOM 1219 CG LEU B 227 25.828 -3.932 0.859 1.00 0.00 C ATOM 1220 CD1 LEU B 227 26.198 -5.386 1.105 1.00 0.00 C ATOM 1221 CD2 LEU B 227 26.921 -3.227 0.075 1.00 0.00 C ATOM 0 HA LEU B 227 22.420 -3.331 0.365 1.00 0.00 H new ATOM 0 HB2 LEU B 227 24.212 -4.817 -0.245 1.00 0.00 H new ATOM 0 HB3 LEU B 227 24.622 -3.191 -0.756 1.00 0.00 H new ATOM 0 HG LEU B 227 25.724 -3.442 1.827 1.00 0.00 H new ATOM 0 HD11 LEU B 227 27.152 -5.435 1.631 1.00 0.00 H new ATOM 0 HD12 LEU B 227 25.425 -5.861 1.710 1.00 0.00 H new ATOM 0 HD13 LEU B 227 26.283 -5.906 0.151 1.00 0.00 H new ATOM 0 HD21 LEU B 227 27.866 -3.310 0.612 1.00 0.00 H new ATOM 0 HD22 LEU B 227 27.020 -3.689 -0.907 1.00 0.00 H new ATOM 0 HD23 LEU B 227 26.663 -2.175 -0.044 1.00 0.00 H new ATOM 1233 N ALA B 228 23.541 -3.522 3.343 1.00 0.00 N ATOM 1234 CA ALA B 228 23.398 -4.150 4.644 1.00 0.00 C ATOM 1235 C ALA B 228 22.654 -3.206 5.583 1.00 0.00 C ATOM 1236 O ALA B 228 22.794 -1.986 5.478 1.00 0.00 O ATOM 1237 CB ALA B 228 24.763 -4.531 5.210 1.00 0.00 C ATOM 0 H ALA B 228 23.977 -2.600 3.375 1.00 0.00 H new ATOM 0 HA ALA B 228 22.820 -5.068 4.541 1.00 0.00 H new ATOM 0 HB1 ALA B 228 24.634 -5.000 6.185 1.00 0.00 H new ATOM 0 HB2 ALA B 228 25.255 -5.230 4.533 1.00 0.00 H new ATOM 0 HB3 ALA B 228 25.376 -3.636 5.316 1.00 0.00 H new ATOM 1243 N GLN B 229 21.841 -3.761 6.480 1.00 0.00 N ATOM 1244 CA GLN B 229 21.055 -2.953 7.423 1.00 0.00 C ATOM 1245 C GLN B 229 19.965 -2.136 6.706 1.00 0.00 C ATOM 1246 O GLN B 229 18.792 -2.219 7.072 1.00 0.00 O ATOM 1247 CB GLN B 229 21.968 -2.025 8.238 1.00 0.00 C ATOM 1248 CG GLN B 229 22.528 -2.675 9.496 1.00 0.00 C ATOM 1249 CD GLN B 229 23.696 -1.905 10.084 1.00 0.00 C ATOM 1250 OE1 GLN B 229 24.434 -1.229 9.371 1.00 0.00 O ATOM 1251 NE2 GLN B 229 23.875 -2.004 11.393 1.00 0.00 N ATOM 0 H GLN B 229 21.706 -4.767 6.577 1.00 0.00 H new ATOM 0 HA GLN B 229 20.558 -3.644 8.104 1.00 0.00 H new ATOM 0 HB2 GLN B 229 22.796 -1.698 7.608 1.00 0.00 H new ATOM 0 HB3 GLN B 229 21.409 -1.132 8.518 1.00 0.00 H new ATOM 0 HG2 GLN B 229 21.737 -2.753 10.242 1.00 0.00 H new ATOM 0 HG3 GLN B 229 22.848 -3.691 9.263 1.00 0.00 H new ATOM 0 HE21 GLN B 229 23.242 -2.575 11.953 1.00 0.00 H new ATOM 0 HE22 GLN B 229 24.646 -1.509 11.841 1.00 0.00 H new ATOM 1260 N GLU B 230 20.352 -1.360 5.681 1.00 0.00 N ATOM 1261 CA GLU B 230 19.403 -0.543 4.919 1.00 0.00 C ATOM 1262 C GLU B 230 18.295 -1.409 4.335 1.00 0.00 C ATOM 1263 O GLU B 230 17.117 -1.219 4.650 1.00 0.00 O ATOM 1264 CB GLU B 230 20.121 0.227 3.805 1.00 0.00 C ATOM 1265 CG GLU B 230 19.337 1.435 3.304 1.00 0.00 C ATOM 1266 CD GLU B 230 19.402 2.623 4.251 1.00 0.00 C ATOM 1267 OE1 GLU B 230 19.379 3.775 3.812 1.00 0.00 O ATOM 0 H GLU B 230 21.318 -1.283 5.363 1.00 0.00 H new ATOM 0 HA GLU B 230 18.954 0.178 5.602 1.00 0.00 H new ATOM 0 HB2 GLU B 230 21.092 0.559 4.171 1.00 0.00 H new ATOM 0 HB3 GLU B 230 20.309 -0.447 2.970 1.00 0.00 H new ATOM 0 HG2 GLU B 230 19.724 1.733 2.330 1.00 0.00 H new ATOM 0 HG3 GLU B 230 18.295 1.150 3.159 1.00 0.00 H new ATOM 1274 N ALA B 231 18.667 -2.383 3.509 1.00 0.00 N ATOM 1275 CA ALA B 231 17.669 -3.279 2.933 1.00 0.00 C ATOM 1276 C ALA B 231 17.001 -4.103 4.045 1.00 0.00 C ATOM 1277 O ALA B 231 15.804 -4.395 3.977 1.00 0.00 O ATOM 1278 CB ALA B 231 18.285 -4.165 1.850 1.00 0.00 C ATOM 0 H ALA B 231 19.630 -2.570 3.228 1.00 0.00 H new ATOM 0 HA ALA B 231 16.896 -2.684 2.447 1.00 0.00 H new ATOM 0 HB1 ALA B 231 17.519 -4.822 1.438 1.00 0.00 H new ATOM 0 HB2 ALA B 231 18.691 -3.539 1.055 1.00 0.00 H new ATOM 0 HB3 ALA B 231 19.084 -4.766 2.283 1.00 0.00 H new ATOM 1284 N HIS B 232 17.767 -4.440 5.092 1.00 0.00 N ATOM 1285 CA HIS B 232 17.227 -5.190 6.229 1.00 0.00 C ATOM 1286 C HIS B 232 16.140 -4.377 6.932 1.00 0.00 C ATOM 1287 O HIS B 232 15.028 -4.873 7.142 1.00 0.00 O ATOM 1288 CB HIS B 232 18.336 -5.563 7.219 1.00 0.00 C ATOM 1289 CG HIS B 232 17.917 -6.575 8.242 1.00 0.00 C ATOM 1290 ND1 HIS B 232 16.619 -7.020 8.390 1.00 0.00 N ATOM 1291 CD2 HIS B 232 18.643 -7.227 9.174 1.00 0.00 C ATOM 1292 CE1 HIS B 232 16.567 -7.905 9.371 1.00 0.00 C ATOM 1293 NE2 HIS B 232 17.783 -8.049 9.864 1.00 0.00 N ATOM 0 H HIS B 232 18.756 -4.206 5.173 1.00 0.00 H new ATOM 0 HA HIS B 232 16.788 -6.112 5.849 1.00 0.00 H new ATOM 0 HB2 HIS B 232 19.190 -5.953 6.664 1.00 0.00 H new ATOM 0 HB3 HIS B 232 18.673 -4.661 7.730 1.00 0.00 H new ATOM 0 HD1 HIS B 232 15.824 -6.714 7.830 1.00 0.00 H new ATOM 0 HD2 HIS B 232 19.704 -7.123 9.346 1.00 0.00 H new ATOM 0 HE1 HIS B 232 15.681 -8.422 9.711 1.00 0.00 H new ATOM 1302 N LYS B 233 16.452 -3.120 7.270 1.00 0.00 N ATOM 1303 CA LYS B 233 15.474 -2.245 7.917 1.00 0.00 C ATOM 1304 C LYS B 233 14.266 -2.061 6.998 1.00 0.00 C ATOM 1305 O LYS B 233 13.122 -2.044 7.459 1.00 0.00 O ATOM 1306 CB LYS B 233 16.096 -0.888 8.294 1.00 0.00 C ATOM 1307 CG LYS B 233 16.500 -0.020 7.107 1.00 0.00 C ATOM 1308 CD LYS B 233 16.629 1.446 7.507 1.00 0.00 C ATOM 1309 CE LYS B 233 18.077 1.922 7.466 1.00 0.00 C ATOM 1310 NZ LYS B 233 18.372 2.680 6.251 1.00 0.00 N ATOM 0 H LYS B 233 17.364 -2.692 7.108 1.00 0.00 H new ATOM 0 HA LYS B 233 15.146 -2.714 8.845 1.00 0.00 H new ATOM 0 HB2 LYS B 233 15.383 -0.334 8.905 1.00 0.00 H new ATOM 0 HB3 LYS B 233 16.976 -1.066 8.912 1.00 0.00 H new ATOM 0 HG2 LYS B 233 17.449 -0.373 6.703 1.00 0.00 H new ATOM 0 HG3 LYS B 233 15.759 -0.118 6.314 1.00 0.00 H new ATOM 0 HD2 LYS B 233 16.026 2.059 6.837 1.00 0.00 H new ATOM 0 HD3 LYS B 233 16.230 1.585 8.512 1.00 0.00 H new ATOM 0 HE2 LYS B 233 18.279 2.543 8.339 1.00 0.00 H new ATOM 0 HE3 LYS B 233 18.743 1.061 7.527 1.00 0.00 H new ATOM 0 HZ1 LYS B 233 19.402 2.751 6.127 1.00 0.00 H new ATOM 0 HZ2 LYS B 233 17.957 2.195 5.430 1.00 0.00 H new ATOM 0 HZ3 LYS B 233 17.967 3.634 6.330 1.00 0.00 H new ATOM 1322 N ASN B 234 14.532 -1.963 5.690 1.00 0.00 N ATOM 1323 CA ASN B 234 13.470 -1.825 4.693 1.00 0.00 C ATOM 1324 C ASN B 234 12.510 -3.008 4.800 1.00 0.00 C ATOM 1325 O ASN B 234 11.309 -2.820 4.986 1.00 0.00 O ATOM 1326 CB ASN B 234 14.076 -1.721 3.285 1.00 0.00 C ATOM 1327 CG ASN B 234 14.718 -0.366 3.032 1.00 0.00 C ATOM 1328 OD1 ASN B 234 14.332 0.638 3.627 1.00 0.00 O ATOM 1329 ND2 ASN B 234 15.703 -0.326 2.146 1.00 0.00 N ATOM 0 H ASN B 234 15.474 -1.977 5.300 1.00 0.00 H new ATOM 0 HA ASN B 234 12.908 -0.910 4.881 1.00 0.00 H new ATOM 0 HB2 ASN B 234 14.823 -2.504 3.154 1.00 0.00 H new ATOM 0 HB3 ASN B 234 13.297 -1.896 2.543 1.00 0.00 H new ATOM 0 HD21 ASN B 234 16.167 0.558 1.939 1.00 0.00 H new ATOM 0 HD22 ASN B 234 15.997 -1.180 1.671 1.00 0.00 H new ATOM 1336 N ARG B 235 13.047 -4.230 4.724 1.00 0.00 N ATOM 1337 CA ARG B 235 12.223 -5.430 4.860 1.00 0.00 C ATOM 1338 C ARG B 235 11.561 -5.459 6.235 1.00 0.00 C ATOM 1339 O ARG B 235 10.361 -5.693 6.346 1.00 0.00 O ATOM 1340 CB ARG B 235 13.059 -6.696 4.662 1.00 0.00 C ATOM 1341 CG ARG B 235 12.855 -7.353 3.304 1.00 0.00 C ATOM 1342 CD ARG B 235 12.934 -6.342 2.172 1.00 0.00 C ATOM 1343 NE ARG B 235 13.936 -6.715 1.172 1.00 0.00 N ATOM 1344 CZ ARG B 235 15.243 -6.736 1.385 1.00 0.00 C ATOM 1345 NH1 ARG B 235 15.744 -6.510 2.579 1.00 0.00 N ATOM 1346 NH2 ARG B 235 16.049 -6.978 0.388 1.00 0.00 N ATOM 0 H ARG B 235 14.039 -4.411 4.571 1.00 0.00 H new ATOM 0 HA ARG B 235 11.454 -5.401 4.088 1.00 0.00 H new ATOM 0 HB2 ARG B 235 14.114 -6.448 4.782 1.00 0.00 H new ATOM 0 HB3 ARG B 235 12.809 -7.413 5.444 1.00 0.00 H new ATOM 0 HG2 ARG B 235 13.611 -8.125 3.156 1.00 0.00 H new ATOM 0 HG3 ARG B 235 11.885 -7.849 3.282 1.00 0.00 H new ATOM 0 HD2 ARG B 235 11.958 -6.257 1.693 1.00 0.00 H new ATOM 0 HD3 ARG B 235 13.176 -5.360 2.579 1.00 0.00 H new ATOM 0 HE ARG B 235 13.604 -6.978 0.244 1.00 0.00 H new ATOM 0 HH11 ARG B 235 15.123 -6.314 3.364 1.00 0.00 H new ATOM 0 HH12 ARG B 235 16.754 -6.531 2.721 1.00 0.00 H new ATOM 0 HH21 ARG B 235 15.671 -7.149 -0.544 1.00 0.00 H new ATOM 0 HH22 ARG B 235 17.057 -6.997 0.540 1.00 0.00 H new ATOM 1360 N LYS B 236 12.349 -5.190 7.281 1.00 0.00 N ATOM 1361 CA LYS B 236 11.843 -5.159 8.655 1.00 0.00 C ATOM 1362 C LYS B 236 10.549 -4.341 8.729 1.00 0.00 C ATOM 1363 O LYS B 236 9.628 -4.678 9.474 1.00 0.00 O ATOM 1364 CB LYS B 236 12.907 -4.565 9.583 1.00 0.00 C ATOM 1365 CG LYS B 236 12.524 -4.588 11.053 1.00 0.00 C ATOM 1366 CD LYS B 236 11.769 -3.326 11.443 1.00 0.00 C ATOM 1367 CE LYS B 236 10.477 -3.649 12.180 1.00 0.00 C ATOM 1368 NZ LYS B 236 10.154 -2.623 13.215 1.00 0.00 N ATOM 0 H LYS B 236 13.346 -4.990 7.200 1.00 0.00 H new ATOM 0 HA LYS B 236 11.622 -6.177 8.976 1.00 0.00 H new ATOM 0 HB2 LYS B 236 13.838 -5.116 9.452 1.00 0.00 H new ATOM 0 HB3 LYS B 236 13.101 -3.535 9.284 1.00 0.00 H new ATOM 0 HG2 LYS B 236 11.906 -5.463 11.257 1.00 0.00 H new ATOM 0 HG3 LYS B 236 13.422 -4.682 11.664 1.00 0.00 H new ATOM 0 HD2 LYS B 236 12.403 -2.703 12.075 1.00 0.00 H new ATOM 0 HD3 LYS B 236 11.543 -2.746 10.548 1.00 0.00 H new ATOM 0 HE2 LYS B 236 9.657 -3.713 11.464 1.00 0.00 H new ATOM 0 HE3 LYS B 236 10.564 -4.627 12.653 1.00 0.00 H new ATOM 0 HZ1 LYS B 236 9.267 -2.880 13.694 1.00 0.00 H new ATOM 0 HZ2 LYS B 236 10.924 -2.579 13.913 1.00 0.00 H new ATOM 0 HZ3 LYS B 236 10.045 -1.694 12.761 1.00 0.00 H new ATOM 1382 N LEU B 237 10.485 -3.277 7.928 1.00 0.00 N ATOM 1383 CA LEU B 237 9.304 -2.419 7.869 1.00 0.00 C ATOM 1384 C LEU B 237 8.039 -3.240 7.573 1.00 0.00 C ATOM 1385 O LEU B 237 6.937 -2.851 7.962 1.00 0.00 O ATOM 1386 CB LEU B 237 9.512 -1.332 6.803 1.00 0.00 C ATOM 1387 CG LEU B 237 9.153 0.088 7.244 1.00 0.00 C ATOM 1388 CD1 LEU B 237 7.763 0.124 7.856 1.00 0.00 C ATOM 1389 CD2 LEU B 237 10.188 0.609 8.228 1.00 0.00 C ATOM 0 H LEU B 237 11.242 -2.989 7.308 1.00 0.00 H new ATOM 0 HA LEU B 237 9.166 -1.944 8.840 1.00 0.00 H new ATOM 0 HB2 LEU B 237 10.557 -1.346 6.492 1.00 0.00 H new ATOM 0 HB3 LEU B 237 8.915 -1.585 5.927 1.00 0.00 H new ATOM 0 HG LEU B 237 9.152 0.735 6.367 1.00 0.00 H new ATOM 0 HD11 LEU B 237 7.527 1.143 8.163 1.00 0.00 H new ATOM 0 HD12 LEU B 237 7.033 -0.212 7.120 1.00 0.00 H new ATOM 0 HD13 LEU B 237 7.731 -0.533 8.725 1.00 0.00 H new ATOM 0 HD21 LEU B 237 9.922 1.621 8.535 1.00 0.00 H new ATOM 0 HD22 LEU B 237 10.217 -0.040 9.103 1.00 0.00 H new ATOM 0 HD23 LEU B 237 11.169 0.620 7.752 1.00 0.00 H new HETATM 1401 N NLE B 238 8.204 -4.390 6.906 1.00 0.00 N HETATM 1402 CA NLE B 238 7.077 -5.273 6.587 1.00 0.00 C HETATM 1403 C NLE B 238 6.406 -5.789 7.860 1.00 0.00 C HETATM 1404 O NLE B 238 5.182 -5.944 7.911 1.00 0.00 O HETATM 1405 CB NLE B 238 7.548 -6.446 5.721 1.00 0.00 C HETATM 1406 CG NLE B 238 6.949 -6.449 4.327 1.00 0.00 C HETATM 1407 CD NLE B 238 7.715 -5.524 3.399 1.00 0.00 C HETATM 1408 CE NLE B 238 6.836 -4.824 2.393 1.00 0.00 C HETATM 0 HG3 NLE B 238 6.960 -7.462 3.926 1.00 0.00 H new HETATM 0 HG2 NLE B 238 5.906 -6.137 4.376 1.00 0.00 H new HETATM 0 HE3 NLE B 238 6.331 -5.565 1.773 1.00 0.00 H new HETATM 0 HE2 NLE B 238 6.093 -4.221 2.916 1.00 0.00 H new HETATM 0 HE1 NLE B 238 7.448 -4.179 1.762 1.00 0.00 H new HETATM 0 HD3 NLE B 238 8.240 -4.777 3.994 1.00 0.00 H new HETATM 0 HD2 NLE B 238 8.474 -6.100 2.869 1.00 0.00 H new HETATM 0 HB3 NLE B 238 8.635 -6.414 5.641 1.00 0.00 H new HETATM 0 HB2 NLE B 238 7.292 -7.381 6.220 1.00 0.00 H new HETATM 0 HA NLE B 238 6.342 -4.695 6.027 1.00 0.00 H new ATOM 1420 N GLU B 239 7.204 -6.026 8.899 1.00 0.00 N ATOM 1421 CA GLU B 239 6.674 -6.496 10.179 1.00 0.00 C ATOM 1422 C GLU B 239 5.679 -5.481 10.744 1.00 0.00 C ATOM 1423 O GLU B 239 4.738 -5.843 11.451 1.00 0.00 O ATOM 1424 CB GLU B 239 7.804 -6.731 11.191 1.00 0.00 C ATOM 1425 CG GLU B 239 9.060 -7.350 10.595 1.00 0.00 C ATOM 1426 CD GLU B 239 8.874 -8.797 10.186 1.00 0.00 C ATOM 1427 OE1 GLU B 239 8.190 -9.047 9.170 1.00 0.00 O ATOM 1428 OE2 GLU B 239 9.412 -9.682 10.882 1.00 0.00 O ATOM 0 H GLU B 239 8.216 -5.901 8.881 1.00 0.00 H new ATOM 0 HA GLU B 239 6.164 -7.443 10.004 1.00 0.00 H new ATOM 0 HB2 GLU B 239 8.066 -5.779 11.653 1.00 0.00 H new ATOM 0 HB3 GLU B 239 7.435 -7.380 11.986 1.00 0.00 H new ATOM 0 HG2 GLU B 239 9.366 -6.769 9.725 1.00 0.00 H new ATOM 0 HG3 GLU B 239 9.870 -7.286 11.322 1.00 0.00 H new ATOM 1435 N ILE B 240 5.896 -4.204 10.416 1.00 0.00 N ATOM 1436 CA ILE B 240 5.021 -3.122 10.877 1.00 0.00 C ATOM 1437 C ILE B 240 3.615 -3.225 10.268 1.00 0.00 C ATOM 1438 O ILE B 240 2.642 -2.763 10.865 1.00 0.00 O ATOM 1439 CB ILE B 240 5.607 -1.732 10.540 1.00 0.00 C ATOM 1440 CG1 ILE B 240 6.986 -1.547 11.171 1.00 0.00 C ATOM 1441 CG2 ILE B 240 4.665 -0.631 11.010 1.00 0.00 C ATOM 1442 CD1 ILE B 240 7.591 -0.188 10.892 1.00 0.00 C ATOM 0 H ILE B 240 6.672 -3.894 9.831 1.00 0.00 H new ATOM 0 HA ILE B 240 4.951 -3.232 11.959 1.00 0.00 H new ATOM 0 HB ILE B 240 5.716 -1.668 9.457 1.00 0.00 H new ATOM 0 HG12 ILE B 240 6.907 -1.688 12.249 1.00 0.00 H new ATOM 0 HG13 ILE B 240 7.657 -2.320 10.796 1.00 0.00 H new ATOM 0 HG21 ILE B 240 5.092 0.342 10.766 1.00 0.00 H new ATOM 0 HG22 ILE B 240 3.701 -0.740 10.513 1.00 0.00 H new ATOM 0 HG23 ILE B 240 4.527 -0.706 12.089 1.00 0.00 H new ATOM 0 HD11 ILE B 240 8.569 -0.121 11.368 1.00 0.00 H new ATOM 0 HD12 ILE B 240 7.700 -0.052 9.816 1.00 0.00 H new ATOM 0 HD13 ILE B 240 6.939 0.589 11.291 1.00 0.00 H new ATOM 1454 N ILE B 241 3.511 -3.825 9.078 1.00 0.00 N ATOM 1455 CA ILE B 241 2.216 -3.973 8.406 1.00 0.00 C ATOM 1456 C ILE B 241 1.329 -4.979 9.139 1.00 0.00 C ATOM 1457 O ILE B 241 0.230 -4.644 9.581 1.00 0.00 O ATOM 1458 CB ILE B 241 2.371 -4.422 6.931 1.00 0.00 C ATOM 1459 CG1 ILE B 241 3.458 -3.616 6.218 1.00 0.00 C ATOM 1460 CG2 ILE B 241 1.052 -4.267 6.189 1.00 0.00 C ATOM 1461 CD1 ILE B 241 3.111 -2.152 6.048 1.00 0.00 C ATOM 0 H ILE B 241 4.301 -4.213 8.563 1.00 0.00 H new ATOM 0 HA ILE B 241 1.748 -2.989 8.422 1.00 0.00 H new ATOM 0 HB ILE B 241 2.664 -5.472 6.933 1.00 0.00 H new ATOM 0 HG12 ILE B 241 4.388 -3.698 6.781 1.00 0.00 H new ATOM 0 HG13 ILE B 241 3.640 -4.054 5.237 1.00 0.00 H new ATOM 0 HG21 ILE B 241 1.177 -4.586 5.154 1.00 0.00 H new ATOM 0 HG22 ILE B 241 0.290 -4.881 6.669 1.00 0.00 H new ATOM 0 HG23 ILE B 241 0.743 -3.222 6.211 1.00 0.00 H new ATOM 0 HD11 ILE B 241 3.926 -1.642 5.535 1.00 0.00 H new ATOM 0 HD12 ILE B 241 2.198 -2.060 5.459 1.00 0.00 H new ATOM 0 HD13 ILE B 241 2.958 -1.698 7.027 1.00 0.00 H new TER 1473 ILE B 241