USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 600 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 76 THR OG1 : rot -150:sc= 1.81 USER MOD Set 1.2: A 85 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 20 HIS :FLIP no HE2:sc= -1.86! F(o=-2.6,f=-1.9!) USER MOD Set 2.2: A 54 GLN :FLIP amide:sc= 0 F(o=-2.7,f=-1.9) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -103:sc= -1.86! USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 153:sc= -0.185 (180deg=-0.636) USER MOD Single : A 44 THR OG1 : rot 180:sc= -4.52! USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 MET CE :methyl -155:sc= -7.37! (180deg=-8.76!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0092) USER MOD Single : A 53 ASN : amide:sc= -10.4! C(o=-10!,f=-16!) USER MOD Single : A 59 MET CE :methyl -176:sc= -1.11 (180deg=-1.14) USER MOD Single : A 60 ASN :FLIP amide:sc= -12.7! C(o=-19!,f=-13!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc=-0.000575 X(o=-0.00058,f=-0.1) USER MOD Single : A 67 THR OG1 : rot 104:sc= 0.85 USER MOD Single : A 68 MET CE :methyl 129:sc= -5.1! (180deg=-6.52!) USER MOD Single : A 70 ASN : amide:sc= -0.17 K(o=-0.17,f=-1.1) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 123:sc= -6.83! USER MOD Single : A 73 THR OG1 : rot 6:sc= 1.04 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -1.42 K(o=-1.4,f=-2.5) USER MOD Single : A 87 GLN : amide:sc= -1.24 K(o=-1.2,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 16 -10.893 3.441 0.841 1.00 0.00 N ATOM 49 CA SER A 16 -10.929 2.662 2.073 1.00 0.00 C ATOM 50 C SER A 16 -9.554 2.617 2.731 1.00 0.00 C ATOM 51 O SER A 16 -8.564 3.071 2.156 1.00 0.00 O ATOM 52 CB SER A 16 -11.418 1.241 1.788 1.00 0.00 C ATOM 53 OG SER A 16 -12.825 1.145 1.936 1.00 0.00 O ATOM 0 HA SER A 16 -11.623 3.147 2.759 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.135 0.952 0.776 1.00 0.00 H new ATOM 0 HB3 SER A 16 -10.929 0.542 2.467 1.00 0.00 H new ATOM 0 HG SER A 16 -13.112 0.227 1.747 1.00 0.00 H new ATOM 59 N ARG A 17 -9.500 2.065 3.939 1.00 0.00 N ATOM 60 CA ARG A 17 -8.247 1.959 4.676 1.00 0.00 C ATOM 61 C ARG A 17 -7.296 0.974 4.001 1.00 0.00 C ATOM 62 O ARG A 17 -6.137 0.848 4.395 1.00 0.00 O ATOM 63 CB ARG A 17 -8.513 1.521 6.117 1.00 0.00 C ATOM 64 CG ARG A 17 -9.000 0.086 6.236 1.00 0.00 C ATOM 65 CD ARG A 17 -8.960 -0.398 7.676 1.00 0.00 C ATOM 66 NE ARG A 17 -8.981 0.710 8.627 1.00 0.00 N ATOM 67 CZ ARG A 17 -9.983 1.577 8.724 1.00 0.00 C ATOM 68 NH1 ARG A 17 -11.040 1.463 7.931 1.00 0.00 N ATOM 69 NH2 ARG A 17 -9.930 2.558 9.614 1.00 0.00 N ATOM 0 H ARG A 17 -10.310 1.684 4.428 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.777 2.942 4.682 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.597 1.635 6.697 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.255 2.186 6.559 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -10.019 0.014 5.855 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.381 -0.562 5.616 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.812 -1.052 7.862 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.061 -0.994 7.833 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.182 0.825 9.251 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -11.084 0.709 7.246 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -11.809 2.129 8.007 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -9.119 2.648 10.226 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -10.700 3.223 9.687 1.00 0.00 H new ATOM 83 N VAL A 18 -7.793 0.281 2.982 1.00 0.00 N ATOM 84 CA VAL A 18 -6.984 -0.691 2.254 1.00 0.00 C ATOM 85 C VAL A 18 -6.224 -0.025 1.113 1.00 0.00 C ATOM 86 O VAL A 18 -6.821 0.594 0.233 1.00 0.00 O ATOM 87 CB VAL A 18 -7.851 -1.829 1.683 1.00 0.00 C ATOM 88 CG1 VAL A 18 -6.978 -2.985 1.222 1.00 0.00 C ATOM 89 CG2 VAL A 18 -8.867 -2.295 2.715 1.00 0.00 C ATOM 0 H VAL A 18 -8.750 0.374 2.642 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.273 -1.110 2.967 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.395 -1.449 0.818 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.608 -3.779 0.822 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.295 -2.638 0.447 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.405 -3.367 2.067 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -9.471 -3.099 2.294 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -8.346 -2.658 3.601 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.514 -1.462 2.991 1.00 0.00 H new ATOM 99 N ILE A 19 -4.901 -0.155 1.136 1.00 0.00 N ATOM 100 CA ILE A 19 -4.058 0.437 0.105 1.00 0.00 C ATOM 101 C ILE A 19 -3.264 -0.632 -0.640 1.00 0.00 C ATOM 102 O ILE A 19 -2.433 -1.324 -0.053 1.00 0.00 O ATOM 103 CB ILE A 19 -3.075 1.460 0.706 1.00 0.00 C ATOM 104 CG1 ILE A 19 -3.833 2.524 1.500 1.00 0.00 C ATOM 105 CG2 ILE A 19 -2.241 2.102 -0.393 1.00 0.00 C ATOM 106 CD1 ILE A 19 -4.316 3.682 0.655 1.00 0.00 C ATOM 0 H ILE A 19 -4.391 -0.665 1.857 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.723 0.945 -0.594 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.402 0.939 1.387 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.690 2.059 1.988 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.185 2.906 2.289 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.551 2.822 0.047 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.675 1.332 -0.917 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.898 2.612 -1.097 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.845 4.397 1.286 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.462 4.172 0.188 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.990 3.312 -0.118 1.00 0.00 H new ATOM 118 N HIS A 20 -3.526 -0.759 -1.937 1.00 0.00 N ATOM 119 CA HIS A 20 -2.834 -1.741 -2.764 1.00 0.00 C ATOM 120 C HIS A 20 -1.546 -1.155 -3.334 1.00 0.00 C ATOM 121 O HIS A 20 -1.427 0.058 -3.504 1.00 0.00 O ATOM 122 CB HIS A 20 -3.742 -2.215 -3.899 1.00 0.00 C ATOM 123 CG HIS A 20 -3.007 -2.890 -5.014 1.00 0.00 C ATOM 124 ND1 HIS A 20 -2.189 -3.970 -5.010 1.00 0.00 N flip ATOM 125 CD2 HIS A 20 -3.068 -2.463 -6.324 1.00 0.00 C flip ATOM 126 CE1 HIS A 20 -1.776 -4.172 -6.304 1.00 0.00 C flip ATOM 127 NE2 HIS A 20 -2.321 -3.251 -7.077 1.00 0.00 N flip ATOM 0 H HIS A 20 -4.212 -0.194 -2.438 1.00 0.00 H new ATOM 0 HA HIS A 20 -2.578 -2.595 -2.137 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -4.484 -2.904 -3.495 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -4.286 -1.359 -4.299 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -1.929 -4.529 -4.197 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -3.637 -1.617 -6.679 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.113 -4.957 -6.636 1.00 0.00 H new ATOM 136 N ILE A 21 -0.582 -2.021 -3.625 1.00 0.00 N ATOM 137 CA ILE A 21 0.695 -1.580 -4.171 1.00 0.00 C ATOM 138 C ILE A 21 1.117 -2.433 -5.365 1.00 0.00 C ATOM 139 O ILE A 21 1.468 -3.602 -5.211 1.00 0.00 O ATOM 140 CB ILE A 21 1.805 -1.623 -3.101 1.00 0.00 C ATOM 141 CG1 ILE A 21 1.572 -0.533 -2.052 1.00 0.00 C ATOM 142 CG2 ILE A 21 3.178 -1.463 -3.738 1.00 0.00 C ATOM 143 CD1 ILE A 21 1.092 -1.067 -0.721 1.00 0.00 C ATOM 0 H ILE A 21 -0.660 -3.029 -3.492 1.00 0.00 H new ATOM 0 HA ILE A 21 0.556 -0.551 -4.503 1.00 0.00 H new ATOM 0 HB ILE A 21 1.770 -2.595 -2.610 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.500 0.018 -1.900 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.839 0.177 -2.435 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.944 -1.497 -2.964 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.345 -2.272 -4.450 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.229 -0.506 -4.258 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.948 -0.239 -0.027 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.147 -1.593 -0.859 1.00 0.00 H new ATOM 0 HD13 ILE A 21 1.834 -1.755 -0.316 1.00 0.00 H new ATOM 155 N ARG A 22 1.096 -1.834 -6.552 1.00 0.00 N ATOM 156 CA ARG A 22 1.493 -2.533 -7.768 1.00 0.00 C ATOM 157 C ARG A 22 2.996 -2.389 -7.980 1.00 0.00 C ATOM 158 O ARG A 22 3.645 -1.582 -7.313 1.00 0.00 O ATOM 159 CB ARG A 22 0.735 -1.983 -8.976 1.00 0.00 C ATOM 160 CG ARG A 22 0.073 -3.060 -9.820 1.00 0.00 C ATOM 161 CD ARG A 22 -0.558 -2.476 -11.072 1.00 0.00 C ATOM 162 NE ARG A 22 -1.932 -2.037 -10.841 1.00 0.00 N ATOM 163 CZ ARG A 22 -2.736 -1.599 -11.804 1.00 0.00 C ATOM 164 NH1 ARG A 22 -2.305 -1.541 -13.056 1.00 0.00 N ATOM 165 NH2 ARG A 22 -3.973 -1.217 -11.513 1.00 0.00 N ATOM 0 H ARG A 22 0.808 -0.866 -6.697 1.00 0.00 H new ATOM 0 HA ARG A 22 1.247 -3.589 -7.660 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.027 -1.285 -8.629 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.426 -1.417 -9.601 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.813 -3.810 -10.100 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.690 -3.569 -9.230 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.038 -1.632 -11.418 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.545 -3.223 -11.866 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.294 -2.068 -9.888 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.354 -1.833 -13.282 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.924 -1.204 -13.793 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.307 -1.260 -10.550 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.590 -0.881 -12.252 1.00 0.00 H new ATOM 179 N LYS A 23 3.555 -3.176 -8.894 1.00 0.00 N ATOM 180 CA LYS A 23 4.989 -3.116 -9.146 1.00 0.00 C ATOM 181 C LYS A 23 5.727 -3.054 -7.818 1.00 0.00 C ATOM 182 O LYS A 23 5.941 -1.975 -7.269 1.00 0.00 O ATOM 183 CB LYS A 23 5.335 -1.889 -9.993 1.00 0.00 C ATOM 184 CG LYS A 23 6.118 -2.221 -11.253 1.00 0.00 C ATOM 185 CD LYS A 23 5.218 -2.243 -12.478 1.00 0.00 C ATOM 186 CE LYS A 23 5.612 -1.169 -13.480 1.00 0.00 C ATOM 187 NZ LYS A 23 4.564 -0.967 -14.517 1.00 0.00 N ATOM 0 H LYS A 23 3.046 -3.852 -9.464 1.00 0.00 H new ATOM 0 HA LYS A 23 5.292 -4.008 -9.695 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.413 -1.379 -10.272 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.915 -1.192 -9.388 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.910 -1.486 -11.395 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.601 -3.191 -11.138 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.273 -3.223 -12.953 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.182 -2.094 -12.172 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.789 -0.230 -12.955 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.550 -1.447 -13.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.870 -0.227 -15.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.412 -1.856 -15.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.676 -0.676 -14.061 1.00 0.00 H new ATOM 201 N LEU A 24 6.083 -4.213 -7.284 1.00 0.00 N ATOM 202 CA LEU A 24 6.759 -4.266 -5.997 1.00 0.00 C ATOM 203 C LEU A 24 7.334 -5.649 -5.727 1.00 0.00 C ATOM 204 O LEU A 24 6.592 -6.621 -5.582 1.00 0.00 O ATOM 205 CB LEU A 24 5.768 -3.888 -4.894 1.00 0.00 C ATOM 206 CG LEU A 24 6.186 -4.274 -3.476 1.00 0.00 C ATOM 207 CD1 LEU A 24 7.056 -3.186 -2.870 1.00 0.00 C ATOM 208 CD2 LEU A 24 4.960 -4.530 -2.607 1.00 0.00 C ATOM 0 H LEU A 24 5.917 -5.121 -7.717 1.00 0.00 H new ATOM 0 HA LEU A 24 7.589 -3.560 -6.012 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.608 -2.810 -4.927 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.810 -4.359 -5.113 1.00 0.00 H new ATOM 0 HG LEU A 24 6.767 -5.195 -3.523 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.347 -3.473 -1.860 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.949 -3.052 -3.481 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.497 -2.251 -2.834 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.278 -4.804 -1.601 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.351 -3.627 -2.562 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.373 -5.343 -3.036 1.00 0.00 H new ATOM 220 N PRO A 25 8.668 -5.753 -5.640 1.00 0.00 N ATOM 221 CA PRO A 25 9.341 -7.024 -5.366 1.00 0.00 C ATOM 222 C PRO A 25 8.885 -7.609 -4.037 1.00 0.00 C ATOM 223 O PRO A 25 9.615 -7.567 -3.048 1.00 0.00 O ATOM 224 CB PRO A 25 10.826 -6.650 -5.309 1.00 0.00 C ATOM 225 CG PRO A 25 10.927 -5.345 -6.021 1.00 0.00 C ATOM 226 CD PRO A 25 9.621 -4.642 -5.785 1.00 0.00 C ATOM 0 HA PRO A 25 9.123 -7.782 -6.119 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.171 -6.564 -4.279 1.00 0.00 H new ATOM 0 HB3 PRO A 25 11.442 -7.410 -5.790 1.00 0.00 H new ATOM 0 HG2 PRO A 25 11.761 -4.756 -5.640 1.00 0.00 H new ATOM 0 HG3 PRO A 25 11.103 -5.494 -7.086 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.654 -4.019 -4.891 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.357 -3.990 -6.618 1.00 0.00 H new ATOM 234 N ILE A 26 7.659 -8.127 -4.024 1.00 0.00 N ATOM 235 CA ILE A 26 7.070 -8.704 -2.816 1.00 0.00 C ATOM 236 C ILE A 26 8.123 -9.300 -1.899 1.00 0.00 C ATOM 237 O ILE A 26 9.193 -9.712 -2.343 1.00 0.00 O ATOM 238 CB ILE A 26 6.028 -9.793 -3.126 1.00 0.00 C ATOM 239 CG1 ILE A 26 5.505 -9.664 -4.556 1.00 0.00 C ATOM 240 CG2 ILE A 26 4.890 -9.707 -2.126 1.00 0.00 C ATOM 241 CD1 ILE A 26 6.453 -10.217 -5.597 1.00 0.00 C ATOM 0 H ILE A 26 7.050 -8.159 -4.842 1.00 0.00 H new ATOM 0 HA ILE A 26 6.575 -7.871 -2.316 1.00 0.00 H new ATOM 0 HB ILE A 26 6.505 -10.769 -3.039 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.550 -10.183 -4.633 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.315 -8.613 -4.771 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.153 -10.479 -2.347 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.279 -9.854 -1.119 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.420 -8.726 -2.194 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.018 -10.092 -6.588 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.401 -9.681 -5.547 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.624 -11.277 -5.407 1.00 0.00 H new ATOM 253 N ASP A 27 7.803 -9.338 -0.613 1.00 0.00 N ATOM 254 CA ASP A 27 8.711 -9.872 0.387 1.00 0.00 C ATOM 255 C ASP A 27 9.649 -8.772 0.881 1.00 0.00 C ATOM 256 O ASP A 27 10.600 -9.032 1.618 1.00 0.00 O ATOM 257 CB ASP A 27 9.485 -11.067 -0.190 1.00 0.00 C ATOM 258 CG ASP A 27 10.930 -10.750 -0.539 1.00 0.00 C ATOM 259 OD1 ASP A 27 11.755 -10.634 0.392 1.00 0.00 O ATOM 260 OD2 ASP A 27 11.238 -10.625 -1.744 1.00 0.00 O ATOM 0 H ASP A 27 6.916 -9.003 -0.238 1.00 0.00 H new ATOM 0 HA ASP A 27 8.141 -10.230 1.244 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.466 -11.883 0.532 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.974 -11.421 -1.085 1.00 0.00 H new ATOM 265 N VAL A 28 9.352 -7.536 0.481 1.00 0.00 N ATOM 266 CA VAL A 28 10.144 -6.383 0.889 1.00 0.00 C ATOM 267 C VAL A 28 10.172 -6.288 2.407 1.00 0.00 C ATOM 268 O VAL A 28 10.098 -7.303 3.097 1.00 0.00 O ATOM 269 CB VAL A 28 9.594 -5.066 0.291 1.00 0.00 C ATOM 270 CG1 VAL A 28 10.712 -4.050 0.104 1.00 0.00 C ATOM 271 CG2 VAL A 28 8.892 -5.320 -1.032 1.00 0.00 C ATOM 0 H VAL A 28 8.565 -7.310 -0.127 1.00 0.00 H new ATOM 0 HA VAL A 28 11.156 -6.523 0.508 1.00 0.00 H new ATOM 0 HB VAL A 28 8.867 -4.660 0.994 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.303 -3.132 -0.318 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.172 -3.833 1.068 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.463 -4.456 -0.573 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.515 -4.378 -1.431 1.00 0.00 H new ATOM 0 HG22 VAL A 28 9.596 -5.757 -1.740 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.060 -6.007 -0.876 1.00 0.00 H new ATOM 281 N THR A 29 10.281 -5.078 2.929 1.00 0.00 N ATOM 282 CA THR A 29 10.320 -4.896 4.372 1.00 0.00 C ATOM 283 C THR A 29 9.239 -3.937 4.853 1.00 0.00 C ATOM 284 O THR A 29 8.836 -3.021 4.137 1.00 0.00 O ATOM 285 CB THR A 29 11.694 -4.382 4.839 1.00 0.00 C ATOM 286 OG1 THR A 29 11.842 -2.997 4.502 1.00 0.00 O ATOM 287 CG2 THR A 29 12.816 -5.187 4.202 1.00 0.00 C ATOM 0 H THR A 29 10.343 -4.217 2.385 1.00 0.00 H new ATOM 0 HA THR A 29 10.137 -5.878 4.808 1.00 0.00 H new ATOM 0 HB THR A 29 11.752 -4.499 5.921 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.423 -2.912 3.717 1.00 0.00 H new ATOM 0 HG21 THR A 29 13.778 -4.806 4.546 1.00 0.00 H new ATOM 0 HG22 THR A 29 12.718 -6.235 4.485 1.00 0.00 H new ATOM 0 HG23 THR A 29 12.758 -5.097 3.117 1.00 0.00 H new ATOM 295 N GLU A 30 8.777 -4.161 6.079 1.00 0.00 N ATOM 296 CA GLU A 30 7.745 -3.325 6.677 1.00 0.00 C ATOM 297 C GLU A 30 8.282 -1.928 6.969 1.00 0.00 C ATOM 298 O GLU A 30 7.644 -0.927 6.648 1.00 0.00 O ATOM 299 CB GLU A 30 7.230 -3.968 7.966 1.00 0.00 C ATOM 300 CG GLU A 30 6.666 -5.366 7.764 1.00 0.00 C ATOM 301 CD GLU A 30 7.207 -6.363 8.769 1.00 0.00 C ATOM 302 OE1 GLU A 30 8.378 -6.774 8.627 1.00 0.00 O ATOM 303 OE2 GLU A 30 6.459 -6.735 9.699 1.00 0.00 O ATOM 0 H GLU A 30 9.104 -4.918 6.679 1.00 0.00 H new ATOM 0 HA GLU A 30 6.922 -3.236 5.968 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.044 -4.014 8.690 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.457 -3.332 8.396 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.579 -5.330 7.842 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.902 -5.707 6.756 1.00 0.00 H new ATOM 310 N GLY A 31 9.462 -1.871 7.580 1.00 0.00 N ATOM 311 CA GLY A 31 10.067 -0.594 7.903 1.00 0.00 C ATOM 312 C GLY A 31 10.124 0.335 6.708 1.00 0.00 C ATOM 313 O GLY A 31 9.938 1.544 6.843 1.00 0.00 O ATOM 0 H GLY A 31 10.009 -2.687 7.856 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.500 -0.118 8.703 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.076 -0.758 8.281 1.00 0.00 H new ATOM 317 N GLU A 32 10.382 -0.232 5.533 1.00 0.00 N ATOM 318 CA GLU A 32 10.461 0.553 4.307 1.00 0.00 C ATOM 319 C GLU A 32 9.066 0.889 3.789 1.00 0.00 C ATOM 320 O GLU A 32 8.673 2.056 3.749 1.00 0.00 O ATOM 321 CB GLU A 32 11.246 -0.208 3.238 1.00 0.00 C ATOM 322 CG GLU A 32 12.690 0.246 3.106 1.00 0.00 C ATOM 323 CD GLU A 32 13.484 0.043 4.382 1.00 0.00 C ATOM 324 OE1 GLU A 32 12.860 -0.212 5.434 1.00 0.00 O ATOM 325 OE2 GLU A 32 14.728 0.139 4.329 1.00 0.00 O ATOM 0 H GLU A 32 10.540 -1.232 5.405 1.00 0.00 H new ATOM 0 HA GLU A 32 10.981 1.484 4.533 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.228 -1.272 3.475 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.746 -0.087 2.277 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.167 -0.303 2.294 1.00 0.00 H new ATOM 0 HG3 GLU A 32 12.712 1.301 2.833 1.00 0.00 H new ATOM 332 N VAL A 33 8.320 -0.138 3.396 1.00 0.00 N ATOM 333 CA VAL A 33 6.968 0.054 2.887 1.00 0.00 C ATOM 334 C VAL A 33 6.185 1.017 3.775 1.00 0.00 C ATOM 335 O VAL A 33 5.626 2.006 3.299 1.00 0.00 O ATOM 336 CB VAL A 33 6.208 -1.282 2.790 1.00 0.00 C ATOM 337 CG1 VAL A 33 4.827 -1.071 2.191 1.00 0.00 C ATOM 338 CG2 VAL A 33 7.004 -2.291 1.973 1.00 0.00 C ATOM 0 H VAL A 33 8.629 -1.110 3.420 1.00 0.00 H new ATOM 0 HA VAL A 33 7.059 0.478 1.887 1.00 0.00 H new ATOM 0 HB VAL A 33 6.083 -1.681 3.797 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.306 -2.027 2.131 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.258 -0.387 2.820 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.925 -0.648 1.191 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.452 -3.229 1.915 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.163 -1.901 0.968 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.968 -2.466 2.451 1.00 0.00 H new ATOM 348 N ILE A 34 6.159 0.728 5.072 1.00 0.00 N ATOM 349 CA ILE A 34 5.460 1.570 6.025 1.00 0.00 C ATOM 350 C ILE A 34 6.130 2.939 6.114 1.00 0.00 C ATOM 351 O ILE A 34 5.456 3.966 6.191 1.00 0.00 O ATOM 352 CB ILE A 34 5.422 0.909 7.418 1.00 0.00 C ATOM 353 CG1 ILE A 34 4.352 -0.183 7.455 1.00 0.00 C ATOM 354 CG2 ILE A 34 5.163 1.943 8.498 1.00 0.00 C ATOM 355 CD1 ILE A 34 4.911 -1.566 7.697 1.00 0.00 C ATOM 0 H ILE A 34 6.616 -0.086 5.484 1.00 0.00 H new ATOM 0 HA ILE A 34 4.435 1.698 5.676 1.00 0.00 H new ATOM 0 HB ILE A 34 6.394 0.454 7.610 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.632 0.051 8.239 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.808 -0.180 6.511 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.140 1.454 9.472 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.957 2.689 8.485 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.205 2.429 8.314 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.097 -2.290 7.711 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.610 -1.821 6.900 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.431 -1.586 8.655 1.00 0.00 H new ATOM 367 N SER A 35 7.460 2.945 6.093 1.00 0.00 N ATOM 368 CA SER A 35 8.212 4.191 6.162 1.00 0.00 C ATOM 369 C SER A 35 7.515 5.264 5.337 1.00 0.00 C ATOM 370 O SER A 35 7.395 6.413 5.763 1.00 0.00 O ATOM 371 CB SER A 35 9.642 3.982 5.657 1.00 0.00 C ATOM 372 OG SER A 35 9.943 4.869 4.594 1.00 0.00 O ATOM 0 H SER A 35 8.035 2.105 6.029 1.00 0.00 H new ATOM 0 HA SER A 35 8.257 4.516 7.202 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.346 4.137 6.475 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.765 2.952 5.321 1.00 0.00 H new ATOM 0 HG SER A 35 10.862 4.716 4.291 1.00 0.00 H new ATOM 378 N LEU A 36 7.045 4.873 4.157 1.00 0.00 N ATOM 379 CA LEU A 36 6.341 5.790 3.272 1.00 0.00 C ATOM 380 C LEU A 36 4.949 6.077 3.819 1.00 0.00 C ATOM 381 O LEU A 36 4.475 7.212 3.781 1.00 0.00 O ATOM 382 CB LEU A 36 6.239 5.201 1.864 1.00 0.00 C ATOM 383 CG LEU A 36 7.398 5.552 0.929 1.00 0.00 C ATOM 384 CD1 LEU A 36 7.369 4.670 -0.310 1.00 0.00 C ATOM 385 CD2 LEU A 36 7.343 7.022 0.542 1.00 0.00 C ATOM 0 H LEU A 36 7.140 3.925 3.792 1.00 0.00 H new ATOM 0 HA LEU A 36 6.902 6.723 3.219 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.173 4.116 1.945 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.309 5.544 1.410 1.00 0.00 H new ATOM 0 HG LEU A 36 8.335 5.371 1.457 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.200 4.934 -0.964 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.457 3.625 -0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.429 4.819 -0.841 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.175 7.254 -0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.402 7.229 0.033 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.413 7.637 1.439 1.00 0.00 H new ATOM 397 N GLY A 37 4.301 5.035 4.332 1.00 0.00 N ATOM 398 CA GLY A 37 2.971 5.190 4.889 1.00 0.00 C ATOM 399 C GLY A 37 2.992 5.819 6.268 1.00 0.00 C ATOM 400 O GLY A 37 1.943 6.087 6.852 1.00 0.00 O ATOM 0 H GLY A 37 4.674 4.087 4.371 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.370 5.806 4.221 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.487 4.215 4.945 1.00 0.00 H new ATOM 404 N LEU A 38 4.193 6.054 6.789 1.00 0.00 N ATOM 405 CA LEU A 38 4.351 6.654 8.108 1.00 0.00 C ATOM 406 C LEU A 38 3.736 8.051 8.156 1.00 0.00 C ATOM 407 O LEU A 38 2.847 8.318 8.962 1.00 0.00 O ATOM 408 CB LEU A 38 5.832 6.719 8.489 1.00 0.00 C ATOM 409 CG LEU A 38 6.423 5.412 9.023 1.00 0.00 C ATOM 410 CD1 LEU A 38 7.747 5.674 9.724 1.00 0.00 C ATOM 411 CD2 LEU A 38 5.444 4.731 9.966 1.00 0.00 C ATOM 0 H LEU A 38 5.071 5.838 6.317 1.00 0.00 H new ATOM 0 HA LEU A 38 3.825 6.026 8.827 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.403 7.027 7.613 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.963 7.494 9.244 1.00 0.00 H new ATOM 0 HG LEU A 38 6.607 4.746 8.180 1.00 0.00 H new ATOM 0 HD11 LEU A 38 8.153 4.734 10.098 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.450 6.119 9.020 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.588 6.357 10.558 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.881 3.803 10.336 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.229 5.391 10.806 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.520 4.509 9.433 1.00 0.00 H new ATOM 423 N PRO A 39 4.203 8.964 7.286 1.00 0.00 N ATOM 424 CA PRO A 39 3.690 10.337 7.233 1.00 0.00 C ATOM 425 C PRO A 39 2.191 10.379 6.963 1.00 0.00 C ATOM 426 O PRO A 39 1.488 11.272 7.434 1.00 0.00 O ATOM 427 CB PRO A 39 4.464 10.975 6.072 1.00 0.00 C ATOM 428 CG PRO A 39 5.018 9.831 5.293 1.00 0.00 C ATOM 429 CD PRO A 39 5.257 8.732 6.288 1.00 0.00 C ATOM 0 HA PRO A 39 3.827 10.857 8.181 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.810 11.591 5.455 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.260 11.623 6.439 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.321 9.512 4.519 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.944 10.112 4.792 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.172 7.746 5.831 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.252 8.794 6.728 1.00 0.00 H new ATOM 437 N PHE A 40 1.707 9.401 6.203 1.00 0.00 N ATOM 438 CA PHE A 40 0.290 9.320 5.872 1.00 0.00 C ATOM 439 C PHE A 40 -0.555 9.244 7.138 1.00 0.00 C ATOM 440 O PHE A 40 -1.707 9.678 7.157 1.00 0.00 O ATOM 441 CB PHE A 40 0.027 8.097 4.990 1.00 0.00 C ATOM 442 CG PHE A 40 0.707 8.172 3.652 1.00 0.00 C ATOM 443 CD1 PHE A 40 1.145 9.388 3.151 1.00 0.00 C ATOM 444 CD2 PHE A 40 0.912 7.029 2.900 1.00 0.00 C ATOM 445 CE1 PHE A 40 1.775 9.460 1.923 1.00 0.00 C ATOM 446 CE2 PHE A 40 1.541 7.094 1.672 1.00 0.00 C ATOM 447 CZ PHE A 40 1.973 8.312 1.183 1.00 0.00 C ATOM 0 H PHE A 40 2.276 8.654 5.805 1.00 0.00 H new ATOM 0 HA PHE A 40 0.011 10.221 5.325 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.365 7.202 5.512 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -1.047 7.991 4.838 1.00 0.00 H new ATOM 0 HD1 PHE A 40 0.992 10.289 3.727 1.00 0.00 H new ATOM 0 HD2 PHE A 40 0.576 6.075 3.278 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.112 10.413 1.543 1.00 0.00 H new ATOM 0 HE2 PHE A 40 1.695 6.194 1.095 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.465 8.366 0.223 1.00 0.00 H new ATOM 457 N GLY A 41 0.028 8.689 8.194 1.00 0.00 N ATOM 458 CA GLY A 41 -0.679 8.564 9.452 1.00 0.00 C ATOM 459 C GLY A 41 -0.129 7.442 10.308 1.00 0.00 C ATOM 460 O GLY A 41 0.875 7.613 11.000 1.00 0.00 O ATOM 0 H GLY A 41 0.980 8.323 8.200 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.611 9.504 10.000 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.736 8.385 9.256 1.00 0.00 H new ATOM 464 N LYS A 42 -0.784 6.287 10.259 1.00 0.00 N ATOM 465 CA LYS A 42 -0.350 5.132 11.033 1.00 0.00 C ATOM 466 C LYS A 42 -0.725 3.832 10.332 1.00 0.00 C ATOM 467 O LYS A 42 -1.763 3.746 9.677 1.00 0.00 O ATOM 468 CB LYS A 42 -0.969 5.167 12.433 1.00 0.00 C ATOM 469 CG LYS A 42 -0.192 6.020 13.421 1.00 0.00 C ATOM 470 CD LYS A 42 1.203 5.466 13.660 1.00 0.00 C ATOM 471 CE LYS A 42 1.749 5.893 15.013 1.00 0.00 C ATOM 472 NZ LYS A 42 0.944 5.340 16.136 1.00 0.00 N ATOM 0 H LYS A 42 -1.616 6.127 9.692 1.00 0.00 H new ATOM 0 HA LYS A 42 0.736 5.175 11.121 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.988 5.547 12.361 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.035 4.149 12.818 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.120 7.040 13.044 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.733 6.067 14.366 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.178 4.378 13.604 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.872 5.810 12.872 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.783 5.560 15.109 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.758 6.981 15.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.545 5.245 16.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.153 5.982 16.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.572 4.406 15.869 1.00 0.00 H new ATOM 486 N VAL A 43 0.124 2.821 10.479 1.00 0.00 N ATOM 487 CA VAL A 43 -0.122 1.523 9.866 1.00 0.00 C ATOM 488 C VAL A 43 -0.920 0.625 10.804 1.00 0.00 C ATOM 489 O VAL A 43 -0.455 0.276 11.890 1.00 0.00 O ATOM 490 CB VAL A 43 1.194 0.819 9.487 1.00 0.00 C ATOM 491 CG1 VAL A 43 0.928 -0.611 9.044 1.00 0.00 C ATOM 492 CG2 VAL A 43 1.920 1.598 8.400 1.00 0.00 C ATOM 0 H VAL A 43 0.988 2.876 11.018 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.697 1.701 8.957 1.00 0.00 H new ATOM 0 HB VAL A 43 1.835 0.786 10.368 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.870 -1.091 8.780 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.455 -1.162 9.857 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.268 -0.606 8.177 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.848 1.087 8.144 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.287 1.665 7.515 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.146 2.601 8.761 1.00 0.00 H new ATOM 502 N THR A 44 -2.127 0.262 10.384 1.00 0.00 N ATOM 503 CA THR A 44 -2.993 -0.587 11.192 1.00 0.00 C ATOM 504 C THR A 44 -2.811 -2.059 10.837 1.00 0.00 C ATOM 505 O THR A 44 -3.319 -2.943 11.528 1.00 0.00 O ATOM 506 CB THR A 44 -4.474 -0.205 11.020 1.00 0.00 C ATOM 507 OG1 THR A 44 -5.097 -1.055 10.049 1.00 0.00 O ATOM 508 CG2 THR A 44 -4.598 1.243 10.589 1.00 0.00 C ATOM 0 H THR A 44 -2.527 0.543 9.489 1.00 0.00 H new ATOM 0 HA THR A 44 -2.705 -0.432 12.232 1.00 0.00 H new ATOM 0 HB THR A 44 -4.977 -0.333 11.979 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.039 -0.803 9.950 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.651 1.499 10.471 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.150 1.887 11.346 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.082 1.386 9.640 1.00 0.00 H new ATOM 516 N ASN A 45 -2.081 -2.314 9.755 1.00 0.00 N ATOM 517 CA ASN A 45 -1.828 -3.679 9.304 1.00 0.00 C ATOM 518 C ASN A 45 -0.904 -3.684 8.091 1.00 0.00 C ATOM 519 O ASN A 45 -0.941 -2.770 7.267 1.00 0.00 O ATOM 520 CB ASN A 45 -3.145 -4.377 8.960 1.00 0.00 C ATOM 521 CG ASN A 45 -3.385 -5.609 9.811 1.00 0.00 C ATOM 522 OD1 ASN A 45 -4.319 -5.652 10.613 1.00 0.00 O ATOM 523 ND2 ASN A 45 -2.541 -6.620 9.640 1.00 0.00 N ATOM 0 H ASN A 45 -1.654 -1.593 9.174 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.340 -4.221 10.114 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.970 -3.678 9.096 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.139 -4.661 7.908 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.653 -7.475 10.184 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.781 -6.541 8.964 1.00 0.00 H new ATOM 530 N LEU A 46 -0.075 -4.718 7.987 1.00 0.00 N ATOM 531 CA LEU A 46 0.860 -4.836 6.874 1.00 0.00 C ATOM 532 C LEU A 46 0.815 -6.236 6.267 1.00 0.00 C ATOM 533 O LEU A 46 1.002 -7.233 6.966 1.00 0.00 O ATOM 534 CB LEU A 46 2.282 -4.516 7.335 1.00 0.00 C ATOM 535 CG LEU A 46 3.372 -4.753 6.288 1.00 0.00 C ATOM 536 CD1 LEU A 46 3.621 -6.242 6.104 1.00 0.00 C ATOM 537 CD2 LEU A 46 2.987 -4.108 4.965 1.00 0.00 C ATOM 0 H LEU A 46 -0.032 -5.485 8.658 1.00 0.00 H new ATOM 0 HA LEU A 46 0.563 -4.118 6.110 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.320 -3.472 7.647 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.507 -5.120 8.214 1.00 0.00 H new ATOM 0 HG LEU A 46 4.295 -4.292 6.640 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.399 -6.391 5.356 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.940 -6.677 7.051 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.702 -6.726 5.773 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.773 -4.286 4.231 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.052 -4.540 4.608 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.859 -3.035 5.107 1.00 0.00 H new ATOM 549 N LEU A 47 0.573 -6.301 4.962 1.00 0.00 N ATOM 550 CA LEU A 47 0.508 -7.576 4.258 1.00 0.00 C ATOM 551 C LEU A 47 1.153 -7.465 2.881 1.00 0.00 C ATOM 552 O LEU A 47 1.009 -6.451 2.197 1.00 0.00 O ATOM 553 CB LEU A 47 -0.944 -8.035 4.120 1.00 0.00 C ATOM 554 CG LEU A 47 -1.143 -9.552 4.089 1.00 0.00 C ATOM 555 CD1 LEU A 47 -0.702 -10.122 2.750 1.00 0.00 C ATOM 556 CD2 LEU A 47 -0.382 -10.212 5.229 1.00 0.00 C ATOM 0 H LEU A 47 0.419 -5.485 4.370 1.00 0.00 H new ATOM 0 HA LEU A 47 1.058 -8.315 4.841 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.519 -7.625 4.950 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.358 -7.611 3.205 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.205 -9.763 4.217 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.851 -11.202 2.747 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.292 -9.672 1.951 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.353 -9.901 2.590 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.535 -11.291 5.192 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.681 -9.992 5.132 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.747 -9.827 6.181 1.00 0.00 H new ATOM 568 N MET A 48 1.865 -8.513 2.477 1.00 0.00 N ATOM 569 CA MET A 48 2.532 -8.528 1.180 1.00 0.00 C ATOM 570 C MET A 48 2.190 -9.800 0.410 1.00 0.00 C ATOM 571 O MET A 48 2.722 -10.872 0.695 1.00 0.00 O ATOM 572 CB MET A 48 4.049 -8.420 1.360 1.00 0.00 C ATOM 573 CG MET A 48 4.466 -7.611 2.578 1.00 0.00 C ATOM 574 SD MET A 48 5.411 -6.138 2.145 1.00 0.00 S ATOM 575 CE MET A 48 6.896 -6.872 1.464 1.00 0.00 C ATOM 0 H MET A 48 1.995 -9.361 3.028 1.00 0.00 H new ATOM 0 HA MET A 48 2.180 -7.670 0.608 1.00 0.00 H new ATOM 0 HB2 MET A 48 4.468 -9.423 1.441 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.480 -7.965 0.468 1.00 0.00 H new ATOM 0 HG2 MET A 48 3.577 -7.316 3.135 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.063 -8.239 3.239 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.726 -6.172 1.562 1.00 0.00 H new ATOM 0 HE2 MET A 48 7.130 -7.789 2.005 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.738 -7.102 0.410 1.00 0.00 H new ATOM 585 N LEU A 49 1.298 -9.674 -0.569 1.00 0.00 N ATOM 586 CA LEU A 49 0.889 -10.817 -1.379 1.00 0.00 C ATOM 587 C LEU A 49 2.022 -11.266 -2.294 1.00 0.00 C ATOM 588 O LEU A 49 2.352 -10.590 -3.270 1.00 0.00 O ATOM 589 CB LEU A 49 -0.347 -10.469 -2.211 1.00 0.00 C ATOM 590 CG LEU A 49 -1.684 -10.648 -1.490 1.00 0.00 C ATOM 591 CD1 LEU A 49 -2.038 -12.124 -1.379 1.00 0.00 C ATOM 592 CD2 LEU A 49 -1.636 -10.006 -0.113 1.00 0.00 C ATOM 0 H LEU A 49 0.846 -8.795 -0.820 1.00 0.00 H new ATOM 0 HA LEU A 49 0.642 -11.637 -0.704 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.265 -9.433 -2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.349 -11.089 -3.107 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.459 -10.152 -2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.992 -12.232 -0.863 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.114 -12.556 -2.377 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.261 -12.643 -0.817 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.595 -10.143 0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.849 -10.473 0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.429 -8.941 -0.215 1.00 0.00 H new ATOM 604 N LYS A 50 2.616 -12.411 -1.968 1.00 0.00 N ATOM 605 CA LYS A 50 3.717 -12.957 -2.756 1.00 0.00 C ATOM 606 C LYS A 50 3.199 -13.907 -3.832 1.00 0.00 C ATOM 607 O LYS A 50 3.218 -15.126 -3.660 1.00 0.00 O ATOM 608 CB LYS A 50 4.709 -13.686 -1.847 1.00 0.00 C ATOM 609 CG LYS A 50 4.956 -12.980 -0.523 1.00 0.00 C ATOM 610 CD LYS A 50 6.051 -13.664 0.279 1.00 0.00 C ATOM 611 CE LYS A 50 6.747 -12.686 1.214 1.00 0.00 C ATOM 612 NZ LYS A 50 6.365 -12.912 2.636 1.00 0.00 N ATOM 0 H LYS A 50 2.353 -12.979 -1.163 1.00 0.00 H new ATOM 0 HA LYS A 50 4.227 -12.128 -3.246 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.336 -14.691 -1.649 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.657 -13.796 -2.373 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.234 -11.943 -0.709 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.034 -12.963 0.059 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.623 -14.482 0.859 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.782 -14.103 -0.400 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.827 -12.787 1.107 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.493 -11.666 0.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.860 -12.226 3.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.338 -12.790 2.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.631 -13.877 2.918 1.00 0.00 H new ATOM 626 N GLY A 51 2.737 -13.338 -4.940 1.00 0.00 N ATOM 627 CA GLY A 51 2.221 -14.145 -6.031 1.00 0.00 C ATOM 628 C GLY A 51 2.196 -13.388 -7.344 1.00 0.00 C ATOM 629 O GLY A 51 2.786 -13.823 -8.333 1.00 0.00 O ATOM 0 H GLY A 51 2.710 -12.331 -5.103 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.835 -15.039 -6.141 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.212 -14.479 -5.787 1.00 0.00 H new ATOM 633 N LYS A 52 1.515 -12.246 -7.351 1.00 0.00 N ATOM 634 CA LYS A 52 1.417 -11.420 -8.549 1.00 0.00 C ATOM 635 C LYS A 52 1.930 -10.011 -8.271 1.00 0.00 C ATOM 636 O LYS A 52 1.639 -9.074 -9.014 1.00 0.00 O ATOM 637 CB LYS A 52 -0.031 -11.362 -9.039 1.00 0.00 C ATOM 638 CG LYS A 52 -0.361 -12.414 -10.086 1.00 0.00 C ATOM 639 CD LYS A 52 -0.204 -11.865 -11.495 1.00 0.00 C ATOM 640 CE LYS A 52 1.234 -11.971 -11.978 1.00 0.00 C ATOM 641 NZ LYS A 52 1.580 -13.359 -12.396 1.00 0.00 N ATOM 0 H LYS A 52 1.023 -11.872 -6.540 1.00 0.00 H new ATOM 0 HA LYS A 52 2.035 -11.870 -9.326 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.699 -11.487 -8.187 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.226 -10.374 -9.455 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.292 -13.277 -9.955 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.383 -12.764 -9.942 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.858 -12.411 -12.174 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.520 -10.822 -11.518 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.386 -11.291 -12.816 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.908 -11.653 -11.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.526 -13.366 -12.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.575 -13.984 -11.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.881 -13.698 -13.088 1.00 0.00 H new ATOM 655 N ASN A 53 2.695 -9.872 -7.194 1.00 0.00 N ATOM 656 CA ASN A 53 3.252 -8.581 -6.808 1.00 0.00 C ATOM 657 C ASN A 53 2.155 -7.633 -6.336 1.00 0.00 C ATOM 658 O ASN A 53 1.630 -6.840 -7.118 1.00 0.00 O ATOM 659 CB ASN A 53 4.030 -7.962 -7.979 1.00 0.00 C ATOM 660 CG ASN A 53 4.024 -6.444 -7.958 1.00 0.00 C ATOM 661 OD1 ASN A 53 3.961 -5.797 -9.003 1.00 0.00 O ATOM 662 ND2 ASN A 53 4.090 -5.870 -6.761 1.00 0.00 N ATOM 0 H ASN A 53 2.944 -10.640 -6.571 1.00 0.00 H new ATOM 0 HA ASN A 53 3.940 -8.742 -5.978 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.060 -8.316 -7.951 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.599 -8.309 -8.918 1.00 0.00 H new ATOM 0 HD21 ASN A 53 4.090 -4.853 -6.682 1.00 0.00 H new ATOM 0 HD22 ASN A 53 4.141 -6.446 -5.921 1.00 0.00 H new ATOM 669 N GLN A 54 1.817 -7.708 -5.054 1.00 0.00 N ATOM 670 CA GLN A 54 0.791 -6.838 -4.497 1.00 0.00 C ATOM 671 C GLN A 54 0.904 -6.744 -2.980 1.00 0.00 C ATOM 672 O GLN A 54 0.963 -7.758 -2.285 1.00 0.00 O ATOM 673 CB GLN A 54 -0.600 -7.340 -4.887 1.00 0.00 C ATOM 674 CG GLN A 54 -0.787 -7.508 -6.386 1.00 0.00 C ATOM 675 CD GLN A 54 -2.213 -7.871 -6.757 1.00 0.00 C ATOM 676 OE1 GLN A 54 -3.170 -7.103 -6.251 1.00 0.00 O flip ATOM 677 NE2 GLN A 54 -2.449 -8.831 -7.491 1.00 0.00 N flip ATOM 0 H GLN A 54 2.235 -8.357 -4.387 1.00 0.00 H new ATOM 0 HA GLN A 54 0.942 -5.841 -4.910 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -0.783 -8.296 -4.397 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.348 -6.641 -4.512 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.508 -6.582 -6.890 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -0.112 -8.283 -6.748 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -1.681 -9.394 -7.857 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -3.412 -9.063 -7.733 1.00 0.00 H new ATOM 686 N ALA A 55 0.915 -5.516 -2.473 1.00 0.00 N ATOM 687 CA ALA A 55 0.999 -5.282 -1.039 1.00 0.00 C ATOM 688 C ALA A 55 -0.290 -4.651 -0.532 1.00 0.00 C ATOM 689 O ALA A 55 -1.089 -4.142 -1.319 1.00 0.00 O ATOM 690 CB ALA A 55 2.193 -4.401 -0.707 1.00 0.00 C ATOM 0 H ALA A 55 0.867 -4.667 -3.036 1.00 0.00 H new ATOM 0 HA ALA A 55 1.136 -6.241 -0.540 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.237 -4.239 0.370 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.109 -4.890 -1.038 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.090 -3.442 -1.215 1.00 0.00 H new ATOM 696 N PHE A 56 -0.500 -4.693 0.776 1.00 0.00 N ATOM 697 CA PHE A 56 -1.708 -4.129 1.362 1.00 0.00 C ATOM 698 C PHE A 56 -1.449 -3.577 2.759 1.00 0.00 C ATOM 699 O PHE A 56 -1.082 -4.317 3.672 1.00 0.00 O ATOM 700 CB PHE A 56 -2.807 -5.191 1.420 1.00 0.00 C ATOM 701 CG PHE A 56 -3.009 -5.920 0.120 1.00 0.00 C ATOM 702 CD1 PHE A 56 -2.060 -6.819 -0.344 1.00 0.00 C ATOM 703 CD2 PHE A 56 -4.151 -5.706 -0.636 1.00 0.00 C ATOM 704 CE1 PHE A 56 -2.248 -7.489 -1.539 1.00 0.00 C ATOM 705 CE2 PHE A 56 -4.343 -6.373 -1.831 1.00 0.00 C ATOM 706 CZ PHE A 56 -3.390 -7.265 -2.283 1.00 0.00 C ATOM 0 H PHE A 56 0.145 -5.109 1.448 1.00 0.00 H new ATOM 0 HA PHE A 56 -2.030 -3.303 0.728 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.561 -5.914 2.198 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.744 -4.716 1.710 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.165 -6.997 0.234 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.899 -5.010 -0.287 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.502 -8.187 -1.890 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -5.237 -6.197 -2.411 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.538 -7.787 -3.217 1.00 0.00 H new ATOM 716 N ILE A 57 -1.662 -2.274 2.922 1.00 0.00 N ATOM 717 CA ILE A 57 -1.470 -1.626 4.212 1.00 0.00 C ATOM 718 C ILE A 57 -2.778 -1.024 4.707 1.00 0.00 C ATOM 719 O ILE A 57 -3.559 -0.481 3.925 1.00 0.00 O ATOM 720 CB ILE A 57 -0.391 -0.525 4.150 1.00 0.00 C ATOM 721 CG1 ILE A 57 -0.888 0.680 3.349 1.00 0.00 C ATOM 722 CG2 ILE A 57 0.889 -1.076 3.547 1.00 0.00 C ATOM 723 CD1 ILE A 57 -0.226 1.982 3.748 1.00 0.00 C ATOM 0 H ILE A 57 -1.967 -1.648 2.176 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.133 -2.395 4.907 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.182 -0.192 5.166 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.710 0.501 2.289 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.966 0.774 3.480 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.642 -0.289 3.509 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.255 -1.899 4.161 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.690 -1.436 2.538 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.625 2.794 3.140 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.426 2.184 4.800 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.850 1.906 3.591 1.00 0.00 H new ATOM 735 N GLU A 58 -3.020 -1.135 6.006 1.00 0.00 N ATOM 736 CA GLU A 58 -4.244 -0.611 6.599 1.00 0.00 C ATOM 737 C GLU A 58 -3.985 0.696 7.339 1.00 0.00 C ATOM 738 O GLU A 58 -3.154 0.755 8.244 1.00 0.00 O ATOM 739 CB GLU A 58 -4.853 -1.639 7.554 1.00 0.00 C ATOM 740 CG GLU A 58 -5.301 -2.916 6.864 1.00 0.00 C ATOM 741 CD GLU A 58 -6.233 -3.748 7.724 1.00 0.00 C ATOM 742 OE1 GLU A 58 -6.110 -3.684 8.966 1.00 0.00 O ATOM 743 OE2 GLU A 58 -7.086 -4.463 7.157 1.00 0.00 O ATOM 0 H GLU A 58 -2.387 -1.582 6.669 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.947 -0.411 5.791 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.121 -1.888 8.322 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.707 -1.191 8.061 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.803 -2.663 5.930 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.425 -3.510 6.604 1.00 0.00 H new ATOM 750 N MET A 59 -4.711 1.740 6.954 1.00 0.00 N ATOM 751 CA MET A 59 -4.570 3.045 7.586 1.00 0.00 C ATOM 752 C MET A 59 -5.671 3.252 8.622 1.00 0.00 C ATOM 753 O MET A 59 -6.839 2.961 8.362 1.00 0.00 O ATOM 754 CB MET A 59 -4.618 4.156 6.533 1.00 0.00 C ATOM 755 CG MET A 59 -3.667 3.932 5.367 1.00 0.00 C ATOM 756 SD MET A 59 -2.148 3.091 5.854 1.00 0.00 S ATOM 757 CE MET A 59 -1.232 4.440 6.592 1.00 0.00 C ATOM 0 H MET A 59 -5.404 1.707 6.206 1.00 0.00 H new ATOM 0 HA MET A 59 -3.604 3.084 8.089 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.635 4.239 6.150 1.00 0.00 H new ATOM 0 HB3 MET A 59 -4.378 5.107 7.009 1.00 0.00 H new ATOM 0 HG2 MET A 59 -4.172 3.345 4.600 1.00 0.00 H new ATOM 0 HG3 MET A 59 -3.417 4.893 4.919 1.00 0.00 H new ATOM 0 HE1 MET A 59 -0.239 4.092 6.878 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.138 5.253 5.872 1.00 0.00 H new ATOM 0 HE3 MET A 59 -1.760 4.797 7.476 1.00 0.00 H new ATOM 767 N ASN A 60 -5.295 3.744 9.798 1.00 0.00 N ATOM 768 CA ASN A 60 -6.264 3.972 10.866 1.00 0.00 C ATOM 769 C ASN A 60 -7.158 5.169 10.556 1.00 0.00 C ATOM 770 O ASN A 60 -8.247 5.301 11.115 1.00 0.00 O ATOM 771 CB ASN A 60 -5.565 4.183 12.212 1.00 0.00 C ATOM 772 CG ASN A 60 -4.307 3.356 12.368 1.00 0.00 C ATOM 773 OD1 ASN A 60 -3.206 3.835 11.805 1.00 0.00 O flip ATOM 774 ND2 ASN A 60 -4.323 2.294 12.990 1.00 0.00 N flip ATOM 0 H ASN A 60 -4.334 3.991 10.035 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.886 3.080 10.931 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.314 5.238 12.322 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -6.257 3.934 13.016 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.192 1.961 13.408 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.468 1.747 13.087 1.00 0.00 H new ATOM 781 N THR A 61 -6.696 6.042 9.665 1.00 0.00 N ATOM 782 CA THR A 61 -7.466 7.224 9.293 1.00 0.00 C ATOM 783 C THR A 61 -7.475 7.424 7.781 1.00 0.00 C ATOM 784 O THR A 61 -6.427 7.421 7.137 1.00 0.00 O ATOM 785 CB THR A 61 -6.912 8.493 9.966 1.00 0.00 C ATOM 786 OG1 THR A 61 -7.761 9.611 9.677 1.00 0.00 O ATOM 787 CG2 THR A 61 -5.499 8.789 9.488 1.00 0.00 C ATOM 0 H THR A 61 -5.798 5.954 9.190 1.00 0.00 H new ATOM 0 HA THR A 61 -8.486 7.056 9.639 1.00 0.00 H new ATOM 0 HB THR A 61 -6.886 8.323 11.042 1.00 0.00 H new ATOM 0 HG1 THR A 61 -7.403 10.414 10.110 1.00 0.00 H new ATOM 0 HG21 THR A 61 -5.130 9.690 9.978 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.848 7.950 9.734 1.00 0.00 H new ATOM 0 HG23 THR A 61 -5.504 8.939 8.408 1.00 0.00 H new ATOM 795 N GLU A 62 -8.668 7.599 7.222 1.00 0.00 N ATOM 796 CA GLU A 62 -8.817 7.803 5.786 1.00 0.00 C ATOM 797 C GLU A 62 -7.700 8.689 5.243 1.00 0.00 C ATOM 798 O GLU A 62 -7.054 8.352 4.250 1.00 0.00 O ATOM 799 CB GLU A 62 -10.178 8.431 5.477 1.00 0.00 C ATOM 800 CG GLU A 62 -11.354 7.622 5.998 1.00 0.00 C ATOM 801 CD GLU A 62 -12.637 7.904 5.241 1.00 0.00 C ATOM 802 OE1 GLU A 62 -12.660 8.873 4.453 1.00 0.00 O ATOM 803 OE2 GLU A 62 -13.619 7.157 5.435 1.00 0.00 O ATOM 0 H GLU A 62 -9.546 7.604 7.742 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.754 6.830 5.298 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.215 9.430 5.911 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.278 8.548 4.398 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.120 6.560 5.926 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.504 7.844 7.055 1.00 0.00 H new ATOM 810 N GLU A 63 -7.478 9.821 5.903 1.00 0.00 N ATOM 811 CA GLU A 63 -6.438 10.756 5.487 1.00 0.00 C ATOM 812 C GLU A 63 -5.136 10.021 5.185 1.00 0.00 C ATOM 813 O GLU A 63 -4.366 10.433 4.317 1.00 0.00 O ATOM 814 CB GLU A 63 -6.205 11.806 6.575 1.00 0.00 C ATOM 815 CG GLU A 63 -5.460 13.036 6.083 1.00 0.00 C ATOM 816 CD GLU A 63 -3.974 12.975 6.377 1.00 0.00 C ATOM 817 OE1 GLU A 63 -3.557 12.081 7.144 1.00 0.00 O ATOM 818 OE2 GLU A 63 -3.227 13.820 5.840 1.00 0.00 O ATOM 0 H GLU A 63 -8.003 10.113 6.727 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.772 11.254 4.577 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.168 12.114 6.984 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.642 11.353 7.391 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.610 13.141 5.008 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.883 13.924 6.552 1.00 0.00 H new ATOM 825 N ALA A 64 -4.896 8.931 5.906 1.00 0.00 N ATOM 826 CA ALA A 64 -3.688 8.139 5.715 1.00 0.00 C ATOM 827 C ALA A 64 -3.775 7.302 4.443 1.00 0.00 C ATOM 828 O ALA A 64 -2.853 7.293 3.629 1.00 0.00 O ATOM 829 CB ALA A 64 -3.447 7.244 6.923 1.00 0.00 C ATOM 0 H ALA A 64 -5.523 8.576 6.628 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.847 8.824 5.610 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.541 6.658 6.767 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.331 7.860 7.815 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.296 6.573 7.053 1.00 0.00 H new ATOM 835 N ALA A 65 -4.890 6.598 4.280 1.00 0.00 N ATOM 836 CA ALA A 65 -5.099 5.756 3.107 1.00 0.00 C ATOM 837 C ALA A 65 -5.215 6.598 1.839 1.00 0.00 C ATOM 838 O ALA A 65 -4.432 6.438 0.901 1.00 0.00 O ATOM 839 CB ALA A 65 -6.342 4.898 3.288 1.00 0.00 C ATOM 0 H ALA A 65 -5.663 6.594 4.945 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.232 5.103 3.000 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.486 4.275 2.405 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.221 4.262 4.165 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.212 5.541 3.424 1.00 0.00 H new ATOM 845 N ASN A 66 -6.197 7.492 1.817 1.00 0.00 N ATOM 846 CA ASN A 66 -6.421 8.357 0.663 1.00 0.00 C ATOM 847 C ASN A 66 -5.129 9.051 0.238 1.00 0.00 C ATOM 848 O ASN A 66 -4.610 8.805 -0.850 1.00 0.00 O ATOM 849 CB ASN A 66 -7.490 9.403 0.984 1.00 0.00 C ATOM 850 CG ASN A 66 -8.838 9.054 0.382 1.00 0.00 C ATOM 851 OD1 ASN A 66 -8.965 8.885 -0.830 1.00 0.00 O ATOM 852 ND2 ASN A 66 -9.854 8.946 1.230 1.00 0.00 N ATOM 0 H ASN A 66 -6.852 7.637 2.586 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.765 7.733 -0.162 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.591 9.496 2.065 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.168 10.375 0.609 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.785 8.714 0.884 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -9.703 9.095 2.228 1.00 0.00 H new ATOM 859 N THR A 67 -4.619 9.923 1.102 1.00 0.00 N ATOM 860 CA THR A 67 -3.392 10.657 0.817 1.00 0.00 C ATOM 861 C THR A 67 -2.355 9.762 0.146 1.00 0.00 C ATOM 862 O THR A 67 -1.737 10.148 -0.846 1.00 0.00 O ATOM 863 CB THR A 67 -2.784 11.255 2.099 1.00 0.00 C ATOM 864 OG1 THR A 67 -3.600 12.333 2.572 1.00 0.00 O ATOM 865 CG2 THR A 67 -1.369 11.757 1.849 1.00 0.00 C ATOM 0 H THR A 67 -5.038 10.139 2.007 1.00 0.00 H new ATOM 0 HA THR A 67 -3.661 11.467 0.139 1.00 0.00 H new ATOM 0 HB THR A 67 -2.744 10.469 2.854 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.125 12.032 3.343 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.963 12.174 2.770 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.742 10.929 1.519 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.387 12.528 1.079 1.00 0.00 H new ATOM 873 N MET A 68 -2.164 8.570 0.698 1.00 0.00 N ATOM 874 CA MET A 68 -1.196 7.624 0.156 1.00 0.00 C ATOM 875 C MET A 68 -1.300 7.535 -1.363 1.00 0.00 C ATOM 876 O MET A 68 -0.370 7.903 -2.081 1.00 0.00 O ATOM 877 CB MET A 68 -1.401 6.241 0.775 1.00 0.00 C ATOM 878 CG MET A 68 -0.398 5.206 0.293 1.00 0.00 C ATOM 879 SD MET A 68 0.264 4.201 1.637 1.00 0.00 S ATOM 880 CE MET A 68 1.915 3.865 1.027 1.00 0.00 C ATOM 0 H MET A 68 -2.666 8.235 1.520 1.00 0.00 H new ATOM 0 HA MET A 68 -0.199 7.985 0.408 1.00 0.00 H new ATOM 0 HB2 MET A 68 -1.333 6.324 1.860 1.00 0.00 H new ATOM 0 HB3 MET A 68 -2.408 5.894 0.544 1.00 0.00 H new ATOM 0 HG2 MET A 68 -0.876 4.556 -0.440 1.00 0.00 H new ATOM 0 HG3 MET A 68 0.423 5.711 -0.216 1.00 0.00 H new ATOM 0 HE1 MET A 68 2.645 4.113 1.797 1.00 0.00 H new ATOM 0 HE2 MET A 68 2.001 2.809 0.772 1.00 0.00 H new ATOM 0 HE3 MET A 68 2.105 4.469 0.140 1.00 0.00 H new ATOM 890 N VAL A 69 -2.435 7.042 -1.848 1.00 0.00 N ATOM 891 CA VAL A 69 -2.654 6.904 -3.283 1.00 0.00 C ATOM 892 C VAL A 69 -2.859 8.262 -3.945 1.00 0.00 C ATOM 893 O VAL A 69 -2.203 8.589 -4.934 1.00 0.00 O ATOM 894 CB VAL A 69 -3.875 6.013 -3.580 1.00 0.00 C ATOM 895 CG1 VAL A 69 -3.989 5.741 -5.072 1.00 0.00 C ATOM 896 CG2 VAL A 69 -3.787 4.711 -2.799 1.00 0.00 C ATOM 0 H VAL A 69 -3.216 6.732 -1.270 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.760 6.436 -3.694 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.773 6.542 -3.262 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.857 5.110 -5.262 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.102 6.684 -5.606 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.089 5.233 -5.419 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.658 4.094 -3.021 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.881 4.176 -3.084 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.759 4.928 -1.731 1.00 0.00 H new ATOM 906 N ASN A 70 -3.777 9.049 -3.394 1.00 0.00 N ATOM 907 CA ASN A 70 -4.073 10.374 -3.930 1.00 0.00 C ATOM 908 C ASN A 70 -2.796 11.183 -4.137 1.00 0.00 C ATOM 909 O ASN A 70 -2.748 12.078 -4.982 1.00 0.00 O ATOM 910 CB ASN A 70 -5.018 11.126 -2.991 1.00 0.00 C ATOM 911 CG ASN A 70 -6.307 11.537 -3.675 1.00 0.00 C ATOM 912 OD1 ASN A 70 -6.338 11.751 -4.887 1.00 0.00 O ATOM 913 ND2 ASN A 70 -7.379 11.652 -2.900 1.00 0.00 N ATOM 0 H ASN A 70 -4.330 8.793 -2.576 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.556 10.243 -4.898 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.250 10.496 -2.133 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.514 12.013 -2.608 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.274 11.927 -3.305 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -7.308 11.465 -1.900 1.00 0.00 H new ATOM 920 N TYR A 71 -1.766 10.868 -3.359 1.00 0.00 N ATOM 921 CA TYR A 71 -0.492 11.572 -3.460 1.00 0.00 C ATOM 922 C TYR A 71 0.390 10.962 -4.545 1.00 0.00 C ATOM 923 O TYR A 71 0.696 11.609 -5.546 1.00 0.00 O ATOM 924 CB TYR A 71 0.240 11.539 -2.118 1.00 0.00 C ATOM 925 CG TYR A 71 1.492 12.389 -2.093 1.00 0.00 C ATOM 926 CD1 TYR A 71 1.423 13.751 -1.830 1.00 0.00 C ATOM 927 CD2 TYR A 71 2.739 11.828 -2.333 1.00 0.00 C ATOM 928 CE1 TYR A 71 2.564 14.531 -1.808 1.00 0.00 C ATOM 929 CE2 TYR A 71 3.884 12.602 -2.312 1.00 0.00 C ATOM 930 CZ TYR A 71 3.792 13.952 -2.049 1.00 0.00 C ATOM 931 OH TYR A 71 4.929 14.725 -2.027 1.00 0.00 O ATOM 0 H TYR A 71 -1.788 10.132 -2.653 1.00 0.00 H new ATOM 0 HA TYR A 71 -0.702 12.607 -3.730 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -0.437 11.880 -1.335 1.00 0.00 H new ATOM 0 HB3 TYR A 71 0.505 10.508 -1.883 1.00 0.00 H new ATOM 0 HD1 TYR A 71 0.463 14.208 -1.640 1.00 0.00 H new ATOM 0 HD2 TYR A 71 2.816 10.771 -2.539 1.00 0.00 H new ATOM 0 HE1 TYR A 71 2.494 15.589 -1.603 1.00 0.00 H new ATOM 0 HE2 TYR A 71 4.847 12.151 -2.501 1.00 0.00 H new ATOM 0 HH TYR A 71 5.710 14.164 -2.215 1.00 0.00 H new ATOM 941 N TYR A 72 0.795 9.714 -4.338 1.00 0.00 N ATOM 942 CA TYR A 72 1.646 9.017 -5.297 1.00 0.00 C ATOM 943 C TYR A 72 1.001 8.987 -6.679 1.00 0.00 C ATOM 944 O TYR A 72 1.670 8.725 -7.679 1.00 0.00 O ATOM 945 CB TYR A 72 1.927 7.591 -4.819 1.00 0.00 C ATOM 946 CG TYR A 72 2.706 7.534 -3.524 1.00 0.00 C ATOM 947 CD1 TYR A 72 3.852 8.297 -3.347 1.00 0.00 C ATOM 948 CD2 TYR A 72 2.294 6.717 -2.478 1.00 0.00 C ATOM 949 CE1 TYR A 72 4.566 8.250 -2.165 1.00 0.00 C ATOM 950 CE2 TYR A 72 3.002 6.663 -1.293 1.00 0.00 C ATOM 951 CZ TYR A 72 4.137 7.430 -1.141 1.00 0.00 C ATOM 952 OH TYR A 72 4.846 7.381 0.037 1.00 0.00 O ATOM 0 H TYR A 72 0.548 9.164 -3.515 1.00 0.00 H new ATOM 0 HA TYR A 72 2.588 9.560 -5.370 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.981 7.066 -4.688 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.482 7.059 -5.592 1.00 0.00 H new ATOM 0 HD1 TYR A 72 4.191 8.938 -4.147 1.00 0.00 H new ATOM 0 HD2 TYR A 72 1.405 6.114 -2.593 1.00 0.00 H new ATOM 0 HE1 TYR A 72 5.455 8.851 -2.043 1.00 0.00 H new ATOM 0 HE2 TYR A 72 2.668 6.023 -0.490 1.00 0.00 H new ATOM 0 HH TYR A 72 4.257 7.619 0.783 1.00 0.00 H new ATOM 962 N THR A 73 -0.299 9.258 -6.730 1.00 0.00 N ATOM 963 CA THR A 73 -1.031 9.263 -7.991 1.00 0.00 C ATOM 964 C THR A 73 -0.161 9.794 -9.127 1.00 0.00 C ATOM 965 O THR A 73 -0.303 9.377 -10.277 1.00 0.00 O ATOM 966 CB THR A 73 -2.307 10.119 -7.896 1.00 0.00 C ATOM 967 OG1 THR A 73 -3.206 9.555 -6.933 1.00 0.00 O ATOM 968 CG2 THR A 73 -2.998 10.211 -9.248 1.00 0.00 C ATOM 0 H THR A 73 -0.867 9.477 -5.912 1.00 0.00 H new ATOM 0 HA THR A 73 -1.310 8.230 -8.200 1.00 0.00 H new ATOM 0 HB THR A 73 -2.022 11.123 -7.582 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.773 8.799 -6.485 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.897 10.821 -9.156 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.322 10.667 -9.972 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.270 9.211 -9.586 1.00 0.00 H new ATOM 976 N SER A 74 0.739 10.712 -8.794 1.00 0.00 N ATOM 977 CA SER A 74 1.635 11.300 -9.782 1.00 0.00 C ATOM 978 C SER A 74 3.076 10.873 -9.525 1.00 0.00 C ATOM 979 O SER A 74 3.694 10.204 -10.354 1.00 0.00 O ATOM 980 CB SER A 74 1.530 12.826 -9.753 1.00 0.00 C ATOM 981 OG SER A 74 2.095 13.398 -10.919 1.00 0.00 O ATOM 0 H SER A 74 0.867 11.065 -7.846 1.00 0.00 H new ATOM 0 HA SER A 74 1.337 10.942 -10.768 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.484 13.120 -9.670 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.040 13.212 -8.871 1.00 0.00 H new ATOM 0 HG SER A 74 2.014 14.374 -10.877 1.00 0.00 H new ATOM 987 N VAL A 75 3.604 11.263 -8.370 1.00 0.00 N ATOM 988 CA VAL A 75 4.970 10.921 -7.998 1.00 0.00 C ATOM 989 C VAL A 75 5.043 9.514 -7.415 1.00 0.00 C ATOM 990 O VAL A 75 4.381 9.208 -6.424 1.00 0.00 O ATOM 991 CB VAL A 75 5.539 11.918 -6.971 1.00 0.00 C ATOM 992 CG1 VAL A 75 4.632 12.009 -5.753 1.00 0.00 C ATOM 993 CG2 VAL A 75 6.950 11.523 -6.566 1.00 0.00 C ATOM 0 H VAL A 75 3.105 11.817 -7.675 1.00 0.00 H new ATOM 0 HA VAL A 75 5.567 10.968 -8.909 1.00 0.00 H new ATOM 0 HB VAL A 75 5.582 12.903 -7.436 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.051 12.718 -5.039 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.642 12.346 -6.061 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.552 11.028 -5.285 1.00 0.00 H new ATOM 0 HG21 VAL A 75 7.334 12.240 -5.840 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.936 10.528 -6.121 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.593 11.518 -7.446 1.00 0.00 H new ATOM 1003 N THR A 76 5.848 8.659 -8.039 1.00 0.00 N ATOM 1004 CA THR A 76 6.003 7.290 -7.583 1.00 0.00 C ATOM 1005 C THR A 76 7.224 7.149 -6.678 1.00 0.00 C ATOM 1006 O THR A 76 8.235 7.822 -6.877 1.00 0.00 O ATOM 1007 CB THR A 76 6.141 6.325 -8.778 1.00 0.00 C ATOM 1008 OG1 THR A 76 4.853 6.061 -9.346 1.00 0.00 O ATOM 1009 CG2 THR A 76 6.787 5.019 -8.351 1.00 0.00 C ATOM 0 H THR A 76 6.402 8.895 -8.862 1.00 0.00 H new ATOM 0 HA THR A 76 5.108 7.033 -7.016 1.00 0.00 H new ATOM 0 HB THR A 76 6.779 6.799 -9.524 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.845 5.161 -9.733 1.00 0.00 H new ATOM 0 HG21 THR A 76 6.872 4.357 -9.212 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.779 5.219 -7.947 1.00 0.00 H new ATOM 0 HG23 THR A 76 6.173 4.543 -7.586 1.00 0.00 H new ATOM 1017 N PRO A 77 7.147 6.264 -5.670 1.00 0.00 N ATOM 1018 CA PRO A 77 8.228 6.026 -4.737 1.00 0.00 C ATOM 1019 C PRO A 77 9.061 4.809 -5.125 1.00 0.00 C ATOM 1020 O PRO A 77 8.631 3.982 -5.928 1.00 0.00 O ATOM 1021 CB PRO A 77 7.476 5.766 -3.429 1.00 0.00 C ATOM 1022 CG PRO A 77 6.094 5.320 -3.831 1.00 0.00 C ATOM 1023 CD PRO A 77 6.003 5.417 -5.335 1.00 0.00 C ATOM 0 HA PRO A 77 8.938 6.851 -4.691 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.977 5.001 -2.836 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.433 6.667 -2.817 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.911 4.297 -3.501 1.00 0.00 H new ATOM 0 HG3 PRO A 77 5.337 5.947 -3.360 1.00 0.00 H new ATOM 0 HD2 PRO A 77 6.071 4.438 -5.809 1.00 0.00 H new ATOM 0 HD3 PRO A 77 5.061 5.862 -5.656 1.00 0.00 H new ATOM 1031 N VAL A 78 10.253 4.700 -4.547 1.00 0.00 N ATOM 1032 CA VAL A 78 11.134 3.576 -4.835 1.00 0.00 C ATOM 1033 C VAL A 78 12.070 3.296 -3.661 1.00 0.00 C ATOM 1034 O VAL A 78 12.407 4.197 -2.892 1.00 0.00 O ATOM 1035 CB VAL A 78 11.951 3.813 -6.135 1.00 0.00 C ATOM 1036 CG1 VAL A 78 11.288 4.879 -6.993 1.00 0.00 C ATOM 1037 CG2 VAL A 78 13.401 4.189 -5.841 1.00 0.00 C ATOM 0 H VAL A 78 10.629 5.373 -3.880 1.00 0.00 H new ATOM 0 HA VAL A 78 10.503 2.701 -4.988 1.00 0.00 H new ATOM 0 HB VAL A 78 11.965 2.872 -6.685 1.00 0.00 H new ATOM 0 HG11 VAL A 78 11.873 5.032 -7.900 1.00 0.00 H new ATOM 0 HG12 VAL A 78 10.282 4.557 -7.261 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.233 5.813 -6.434 1.00 0.00 H new ATOM 0 HG21 VAL A 78 13.934 4.345 -6.779 1.00 0.00 H new ATOM 0 HG22 VAL A 78 13.427 5.106 -5.252 1.00 0.00 H new ATOM 0 HG23 VAL A 78 13.879 3.385 -5.282 1.00 0.00 H new ATOM 1047 N LEU A 79 12.489 2.044 -3.537 1.00 0.00 N ATOM 1048 CA LEU A 79 13.392 1.641 -2.468 1.00 0.00 C ATOM 1049 C LEU A 79 14.825 1.578 -2.979 1.00 0.00 C ATOM 1050 O LEU A 79 15.216 0.615 -3.638 1.00 0.00 O ATOM 1051 CB LEU A 79 12.976 0.280 -1.913 1.00 0.00 C ATOM 1052 CG LEU A 79 12.546 0.282 -0.446 1.00 0.00 C ATOM 1053 CD1 LEU A 79 11.220 1.007 -0.280 1.00 0.00 C ATOM 1054 CD2 LEU A 79 12.448 -1.142 0.079 1.00 0.00 C ATOM 0 H LEU A 79 12.217 1.288 -4.165 1.00 0.00 H new ATOM 0 HA LEU A 79 13.337 2.382 -1.670 1.00 0.00 H new ATOM 0 HB2 LEU A 79 12.154 -0.105 -2.516 1.00 0.00 H new ATOM 0 HB3 LEU A 79 13.809 -0.413 -2.030 1.00 0.00 H new ATOM 0 HG LEU A 79 13.300 0.812 0.135 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.930 0.998 0.771 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.324 2.038 -0.619 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.454 0.505 -0.872 1.00 0.00 H new ATOM 0 HD21 LEU A 79 12.141 -1.124 1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.713 -1.696 -0.506 1.00 0.00 H new ATOM 0 HD23 LEU A 79 13.420 -1.629 -0.005 1.00 0.00 H new ATOM 1066 N ARG A 80 15.603 2.612 -2.681 1.00 0.00 N ATOM 1067 CA ARG A 80 16.991 2.673 -3.125 1.00 0.00 C ATOM 1068 C ARG A 80 17.060 2.811 -4.642 1.00 0.00 C ATOM 1069 O ARG A 80 17.605 3.784 -5.163 1.00 0.00 O ATOM 1070 CB ARG A 80 17.751 1.424 -2.674 1.00 0.00 C ATOM 1071 CG ARG A 80 17.898 1.312 -1.166 1.00 0.00 C ATOM 1072 CD ARG A 80 18.878 2.341 -0.625 1.00 0.00 C ATOM 1073 NE ARG A 80 19.325 2.013 0.726 1.00 0.00 N ATOM 1074 CZ ARG A 80 20.413 2.529 1.287 1.00 0.00 C ATOM 1075 NH1 ARG A 80 21.163 3.392 0.615 1.00 0.00 N ATOM 1076 NH2 ARG A 80 20.755 2.182 2.521 1.00 0.00 N ATOM 0 H ARG A 80 15.298 3.418 -2.135 1.00 0.00 H new ATOM 0 HA ARG A 80 17.458 3.548 -2.674 1.00 0.00 H new ATOM 0 HB2 ARG A 80 17.234 0.540 -3.047 1.00 0.00 H new ATOM 0 HB3 ARG A 80 18.742 1.428 -3.128 1.00 0.00 H new ATOM 0 HG2 ARG A 80 16.926 1.450 -0.693 1.00 0.00 H new ATOM 0 HG3 ARG A 80 18.240 0.310 -0.906 1.00 0.00 H new ATOM 0 HD2 ARG A 80 19.741 2.403 -1.288 1.00 0.00 H new ATOM 0 HD3 ARG A 80 18.407 3.324 -0.622 1.00 0.00 H new ATOM 0 HE ARG A 80 18.771 1.351 1.269 1.00 0.00 H new ATOM 0 HH11 ARG A 80 20.905 3.661 -0.334 1.00 0.00 H new ATOM 0 HH12 ARG A 80 21.998 3.787 1.048 1.00 0.00 H new ATOM 0 HH21 ARG A 80 20.182 1.518 3.041 1.00 0.00 H new ATOM 0 HH22 ARG A 80 21.591 2.580 2.949 1.00 0.00 H new ATOM 1090 N GLY A 81 16.497 1.833 -5.342 1.00 0.00 N ATOM 1091 CA GLY A 81 16.498 1.862 -6.793 1.00 0.00 C ATOM 1092 C GLY A 81 15.421 0.975 -7.390 1.00 0.00 C ATOM 1093 O GLY A 81 15.526 0.551 -8.541 1.00 0.00 O ATOM 0 H GLY A 81 16.039 1.020 -4.930 1.00 0.00 H new ATOM 0 HA2 GLY A 81 16.351 2.887 -7.133 1.00 0.00 H new ATOM 0 HA3 GLY A 81 17.473 1.542 -7.159 1.00 0.00 H new ATOM 1097 N GLN A 82 14.382 0.697 -6.608 1.00 0.00 N ATOM 1098 CA GLN A 82 13.280 -0.142 -7.069 1.00 0.00 C ATOM 1099 C GLN A 82 11.943 0.569 -6.892 1.00 0.00 C ATOM 1100 O GLN A 82 11.369 0.575 -5.803 1.00 0.00 O ATOM 1101 CB GLN A 82 13.271 -1.471 -6.313 1.00 0.00 C ATOM 1102 CG GLN A 82 14.336 -2.447 -6.782 1.00 0.00 C ATOM 1103 CD GLN A 82 15.740 -1.978 -6.458 1.00 0.00 C ATOM 1104 OE1 GLN A 82 15.976 -1.356 -5.422 1.00 0.00 O ATOM 1105 NE2 GLN A 82 16.683 -2.273 -7.346 1.00 0.00 N ATOM 0 H GLN A 82 14.280 1.040 -5.653 1.00 0.00 H new ATOM 0 HA GLN A 82 13.427 -0.339 -8.131 1.00 0.00 H new ATOM 0 HB2 GLN A 82 13.413 -1.275 -5.250 1.00 0.00 H new ATOM 0 HB3 GLN A 82 12.291 -1.935 -6.424 1.00 0.00 H new ATOM 0 HG2 GLN A 82 14.165 -3.417 -6.316 1.00 0.00 H new ATOM 0 HG3 GLN A 82 14.244 -2.590 -7.859 1.00 0.00 H new ATOM 0 HE21 GLN A 82 16.443 -2.791 -8.192 1.00 0.00 H new ATOM 0 HE22 GLN A 82 17.647 -1.982 -7.182 1.00 0.00 H new ATOM 1114 N PRO A 83 11.435 1.186 -7.968 1.00 0.00 N ATOM 1115 CA PRO A 83 10.163 1.917 -7.945 1.00 0.00 C ATOM 1116 C PRO A 83 8.964 1.005 -7.709 1.00 0.00 C ATOM 1117 O PRO A 83 8.796 -0.006 -8.391 1.00 0.00 O ATOM 1118 CB PRO A 83 10.077 2.553 -9.341 1.00 0.00 C ATOM 1119 CG PRO A 83 11.453 2.453 -9.908 1.00 0.00 C ATOM 1120 CD PRO A 83 12.067 1.232 -9.293 1.00 0.00 C ATOM 0 HA PRO A 83 10.137 2.640 -7.130 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.355 2.029 -9.967 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.752 3.592 -9.280 1.00 0.00 H new ATOM 0 HG2 PRO A 83 11.422 2.369 -10.994 1.00 0.00 H new ATOM 0 HG3 PRO A 83 12.037 3.343 -9.674 1.00 0.00 H new ATOM 0 HD2 PRO A 83 11.854 0.335 -9.875 1.00 0.00 H new ATOM 0 HD3 PRO A 83 13.151 1.316 -9.222 1.00 0.00 H new ATOM 1128 N ILE A 84 8.128 1.378 -6.745 1.00 0.00 N ATOM 1129 CA ILE A 84 6.935 0.606 -6.423 1.00 0.00 C ATOM 1130 C ILE A 84 5.728 1.526 -6.263 1.00 0.00 C ATOM 1131 O ILE A 84 5.716 2.406 -5.403 1.00 0.00 O ATOM 1132 CB ILE A 84 7.130 -0.236 -5.144 1.00 0.00 C ATOM 1133 CG1 ILE A 84 7.340 0.664 -3.923 1.00 0.00 C ATOM 1134 CG2 ILE A 84 8.309 -1.180 -5.314 1.00 0.00 C ATOM 1135 CD1 ILE A 84 7.849 -0.081 -2.702 1.00 0.00 C ATOM 0 H ILE A 84 8.256 2.212 -6.173 1.00 0.00 H new ATOM 0 HA ILE A 84 6.755 -0.078 -7.253 1.00 0.00 H new ATOM 0 HB ILE A 84 6.227 -0.824 -4.980 1.00 0.00 H new ATOM 0 HG12 ILE A 84 8.048 1.452 -4.180 1.00 0.00 H new ATOM 0 HG13 ILE A 84 6.397 1.152 -3.674 1.00 0.00 H new ATOM 0 HG21 ILE A 84 8.437 -1.769 -4.406 1.00 0.00 H new ATOM 0 HG22 ILE A 84 8.123 -1.847 -6.156 1.00 0.00 H new ATOM 0 HG23 ILE A 84 9.214 -0.602 -5.502 1.00 0.00 H new ATOM 0 HD11 ILE A 84 7.975 0.618 -1.875 1.00 0.00 H new ATOM 0 HD12 ILE A 84 7.131 -0.851 -2.420 1.00 0.00 H new ATOM 0 HD13 ILE A 84 8.807 -0.546 -2.933 1.00 0.00 H new ATOM 1147 N TYR A 85 4.724 1.327 -7.113 1.00 0.00 N ATOM 1148 CA TYR A 85 3.519 2.152 -7.088 1.00 0.00 C ATOM 1149 C TYR A 85 2.570 1.737 -5.968 1.00 0.00 C ATOM 1150 O TYR A 85 2.504 0.566 -5.595 1.00 0.00 O ATOM 1151 CB TYR A 85 2.797 2.072 -8.434 1.00 0.00 C ATOM 1152 CG TYR A 85 3.470 2.868 -9.530 1.00 0.00 C ATOM 1153 CD1 TYR A 85 4.815 2.683 -9.823 1.00 0.00 C ATOM 1154 CD2 TYR A 85 2.759 3.804 -10.270 1.00 0.00 C ATOM 1155 CE1 TYR A 85 5.433 3.408 -10.824 1.00 0.00 C ATOM 1156 CE2 TYR A 85 3.370 4.534 -11.273 1.00 0.00 C ATOM 1157 CZ TYR A 85 4.706 4.332 -11.545 1.00 0.00 C ATOM 1158 OH TYR A 85 5.318 5.057 -12.542 1.00 0.00 O ATOM 0 H TYR A 85 4.721 0.600 -7.829 1.00 0.00 H new ATOM 0 HA TYR A 85 3.830 3.180 -6.900 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.733 1.028 -8.741 1.00 0.00 H new ATOM 0 HB3 TYR A 85 1.775 2.431 -8.311 1.00 0.00 H new ATOM 0 HD1 TYR A 85 5.387 1.961 -9.259 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.712 3.964 -10.059 1.00 0.00 H new ATOM 0 HE1 TYR A 85 6.479 3.252 -11.041 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.804 5.258 -11.840 1.00 0.00 H new ATOM 0 HH TYR A 85 4.667 5.663 -12.953 1.00 0.00 H new ATOM 1168 N ILE A 86 1.835 2.712 -5.443 1.00 0.00 N ATOM 1169 CA ILE A 86 0.883 2.472 -4.373 1.00 0.00 C ATOM 1170 C ILE A 86 -0.498 3.003 -4.757 1.00 0.00 C ATOM 1171 O ILE A 86 -0.712 4.213 -4.820 1.00 0.00 O ATOM 1172 CB ILE A 86 1.353 3.145 -3.066 1.00 0.00 C ATOM 1173 CG1 ILE A 86 2.463 2.322 -2.413 1.00 0.00 C ATOM 1174 CG2 ILE A 86 0.194 3.332 -2.104 1.00 0.00 C ATOM 1175 CD1 ILE A 86 3.618 3.160 -1.911 1.00 0.00 C ATOM 0 H ILE A 86 1.884 3.684 -5.748 1.00 0.00 H new ATOM 0 HA ILE A 86 0.819 1.396 -4.213 1.00 0.00 H new ATOM 0 HB ILE A 86 1.749 4.130 -3.314 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.044 1.758 -1.580 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.838 1.595 -3.134 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.552 3.808 -1.191 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.566 3.961 -2.568 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.238 2.361 -1.861 1.00 0.00 H new ATOM 0 HD11 ILE A 86 4.369 2.511 -1.460 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.062 3.704 -2.745 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.256 3.869 -1.166 1.00 0.00 H new ATOM 1187 N GLN A 87 -1.432 2.092 -5.016 1.00 0.00 N ATOM 1188 CA GLN A 87 -2.788 2.477 -5.398 1.00 0.00 C ATOM 1189 C GLN A 87 -3.815 1.922 -4.416 1.00 0.00 C ATOM 1190 O GLN A 87 -3.480 1.153 -3.515 1.00 0.00 O ATOM 1191 CB GLN A 87 -3.101 1.983 -6.811 1.00 0.00 C ATOM 1192 CG GLN A 87 -2.486 2.842 -7.906 1.00 0.00 C ATOM 1193 CD GLN A 87 -3.051 4.248 -7.929 1.00 0.00 C ATOM 1194 OE1 GLN A 87 -4.220 4.466 -7.609 1.00 0.00 O ATOM 1195 NE2 GLN A 87 -2.221 5.213 -8.309 1.00 0.00 N ATOM 0 H GLN A 87 -1.276 1.085 -4.969 1.00 0.00 H new ATOM 0 HA GLN A 87 -2.846 3.565 -5.377 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -2.740 0.960 -6.918 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -4.182 1.956 -6.946 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -1.407 2.890 -7.762 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -2.658 2.369 -8.873 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -1.260 4.987 -8.566 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -2.545 6.180 -8.344 1.00 0.00 H new ATOM 1204 N PHE A 88 -5.071 2.320 -4.598 1.00 0.00 N ATOM 1205 CA PHE A 88 -6.152 1.864 -3.731 1.00 0.00 C ATOM 1206 C PHE A 88 -6.422 0.378 -3.935 1.00 0.00 C ATOM 1207 O PHE A 88 -5.935 -0.227 -4.890 1.00 0.00 O ATOM 1208 CB PHE A 88 -7.425 2.667 -4.002 1.00 0.00 C ATOM 1209 CG PHE A 88 -7.302 4.125 -3.662 1.00 0.00 C ATOM 1210 CD1 PHE A 88 -6.828 4.523 -2.423 1.00 0.00 C ATOM 1211 CD2 PHE A 88 -7.661 5.096 -4.583 1.00 0.00 C ATOM 1212 CE1 PHE A 88 -6.715 5.864 -2.107 1.00 0.00 C ATOM 1213 CE2 PHE A 88 -7.551 6.439 -4.273 1.00 0.00 C ATOM 1214 CZ PHE A 88 -7.076 6.823 -3.033 1.00 0.00 C ATOM 0 H PHE A 88 -5.365 2.957 -5.338 1.00 0.00 H new ATOM 0 HA PHE A 88 -5.845 2.021 -2.697 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.688 2.569 -5.055 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -8.245 2.237 -3.427 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -6.543 3.777 -1.695 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -8.031 4.801 -5.554 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -6.345 6.161 -1.137 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -7.836 7.187 -4.998 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.987 7.871 -2.789 1.00 0.00 H new