USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 586 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 Single : A 9 TYR OH : rot -169:sc= 0.0435 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 1.22 (180deg=1.22) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0827) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc=-0.00347 K(o=-0.0035,f=-1.7!) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -107:sc= 0.0513 USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0817) USER MOD Single : A 65 TYR OH : rot 180:sc= -0.261 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -143:sc= 1.24 (180deg=-0.282) USER MOD Single : A 75 SER OG : rot 180:sc= 0.013 USER MOD Single : A 76 ASN : amide:sc= -0.769 K(o=-0.77,f=-5.6!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.0591 X(o=-0.059,f=0) USER MOD Single : A 90 ASN : amide:sc= 0.672 K(o=0.67,f=0) USER MOD ----------------------------------------------------------------- ATOM 81 N TYR A 9 -5.266 -6.842 -9.888 1.00 0.00 N ATOM 82 CA TYR A 9 -4.097 -5.980 -9.773 1.00 0.00 C ATOM 83 C TYR A 9 -3.099 -6.331 -10.873 1.00 0.00 C ATOM 84 O TYR A 9 -3.125 -7.436 -11.422 1.00 0.00 O ATOM 85 CB TYR A 9 -3.495 -6.100 -8.368 1.00 0.00 C ATOM 86 CG TYR A 9 -4.429 -5.728 -7.220 1.00 0.00 C ATOM 87 CD1 TYR A 9 -4.751 -4.380 -6.964 1.00 0.00 C ATOM 88 CD2 TYR A 9 -4.960 -6.731 -6.385 1.00 0.00 C ATOM 89 CE1 TYR A 9 -5.593 -4.032 -5.888 1.00 0.00 C ATOM 90 CE2 TYR A 9 -5.802 -6.394 -5.310 1.00 0.00 C ATOM 91 CZ TYR A 9 -6.110 -5.041 -5.048 1.00 0.00 C ATOM 92 OH TYR A 9 -6.928 -4.712 -4.014 1.00 0.00 O ATOM 0 HA TYR A 9 -4.380 -4.936 -9.908 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.159 -7.127 -8.222 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.611 -5.465 -8.315 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.348 -3.605 -7.599 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.719 -7.767 -6.572 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.841 -2.997 -5.707 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.214 -7.172 -4.684 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.054 -5.493 -3.435 1.00 0.00 H new ATOM 102 N LYS A 10 -2.240 -5.371 -11.213 1.00 0.00 N ATOM 103 CA LYS A 10 -1.366 -5.391 -12.379 1.00 0.00 C ATOM 104 C LYS A 10 -0.037 -4.758 -11.976 1.00 0.00 C ATOM 105 O LYS A 10 0.024 -4.036 -10.979 1.00 0.00 O ATOM 106 CB LYS A 10 -2.027 -4.564 -13.495 1.00 0.00 C ATOM 107 CG LYS A 10 -3.269 -5.203 -14.140 1.00 0.00 C ATOM 108 CD LYS A 10 -2.895 -6.126 -15.306 1.00 0.00 C ATOM 109 CE LYS A 10 -4.166 -6.619 -16.008 1.00 0.00 C ATOM 110 NZ LYS A 10 -3.885 -7.270 -17.306 1.00 0.00 N ATOM 0 H LYS A 10 -2.132 -4.522 -10.657 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.199 -6.407 -12.735 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.309 -3.593 -13.087 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.288 -4.380 -14.274 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.817 -5.771 -13.388 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.937 -4.419 -14.497 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.261 -5.593 -16.015 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.319 -6.975 -14.939 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.685 -7.323 -15.358 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.839 -5.776 -16.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.778 -7.584 -17.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.414 -6.593 -17.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.266 -8.092 -17.155 1.00 0.00 H new ATOM 124 N ALA A 11 1.017 -5.001 -12.752 1.00 0.00 N ATOM 125 CA ALA A 11 2.338 -4.483 -12.441 1.00 0.00 C ATOM 126 C ALA A 11 2.285 -2.957 -12.394 1.00 0.00 C ATOM 127 O ALA A 11 1.722 -2.324 -13.294 1.00 0.00 O ATOM 128 CB ALA A 11 3.341 -4.964 -13.492 1.00 0.00 C ATOM 0 H ALA A 11 0.976 -5.558 -13.606 1.00 0.00 H new ATOM 0 HA ALA A 11 2.661 -4.850 -11.467 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.331 -4.574 -13.256 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.372 -6.054 -13.494 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.036 -4.608 -14.476 1.00 0.00 H new ATOM 134 N GLY A 12 2.881 -2.371 -11.358 1.00 0.00 N ATOM 135 CA GLY A 12 2.944 -0.930 -11.167 1.00 0.00 C ATOM 136 C GLY A 12 1.812 -0.396 -10.291 1.00 0.00 C ATOM 137 O GLY A 12 1.928 0.732 -9.795 1.00 0.00 O ATOM 0 H GLY A 12 3.341 -2.897 -10.616 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.901 -0.670 -10.714 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.908 -0.438 -12.139 1.00 0.00 H new ATOM 141 N ASP A 13 0.773 -1.186 -10.011 1.00 0.00 N ATOM 142 CA ASP A 13 -0.335 -0.778 -9.156 1.00 0.00 C ATOM 143 C ASP A 13 0.164 -0.795 -7.717 1.00 0.00 C ATOM 144 O ASP A 13 0.796 -1.762 -7.281 1.00 0.00 O ATOM 145 CB ASP A 13 -1.556 -1.691 -9.328 1.00 0.00 C ATOM 146 CG ASP A 13 -2.376 -1.343 -10.577 1.00 0.00 C ATOM 147 OD1 ASP A 13 -1.821 -1.325 -11.704 1.00 0.00 O ATOM 148 OD2 ASP A 13 -3.585 -1.068 -10.395 1.00 0.00 O ATOM 0 H ASP A 13 0.680 -2.134 -10.376 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.665 0.223 -9.434 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.225 -2.728 -9.391 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.192 -1.613 -8.446 1.00 0.00 H new ATOM 153 N LEU A 14 -0.026 0.301 -6.987 1.00 0.00 N ATOM 154 CA LEU A 14 0.326 0.382 -5.571 1.00 0.00 C ATOM 155 C LEU A 14 -0.834 -0.157 -4.744 1.00 0.00 C ATOM 156 O LEU A 14 -1.990 0.017 -5.142 1.00 0.00 O ATOM 157 CB LEU A 14 0.638 1.842 -5.210 1.00 0.00 C ATOM 158 CG LEU A 14 1.952 2.337 -5.844 1.00 0.00 C ATOM 159 CD1 LEU A 14 2.178 3.807 -5.492 1.00 0.00 C ATOM 160 CD2 LEU A 14 3.151 1.491 -5.399 1.00 0.00 C ATOM 0 H LEU A 14 -0.429 1.160 -7.361 1.00 0.00 H new ATOM 0 HA LEU A 14 1.211 -0.218 -5.359 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.183 2.478 -5.540 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.702 1.940 -4.126 1.00 0.00 H new ATOM 0 HG LEU A 14 1.863 2.234 -6.925 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.109 4.150 -5.944 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.349 4.404 -5.872 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.238 3.917 -4.409 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.059 1.872 -5.867 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.252 1.545 -4.315 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.996 0.454 -5.698 1.00 0.00 H new ATOM 172 N VAL A 15 -0.566 -0.782 -3.592 1.00 0.00 N ATOM 173 CA VAL A 15 -1.590 -1.440 -2.777 1.00 0.00 C ATOM 174 C VAL A 15 -1.274 -1.346 -1.285 1.00 0.00 C ATOM 175 O VAL A 15 -0.166 -0.992 -0.880 1.00 0.00 O ATOM 176 CB VAL A 15 -1.769 -2.910 -3.229 1.00 0.00 C ATOM 177 CG1 VAL A 15 -2.346 -2.933 -4.647 1.00 0.00 C ATOM 178 CG2 VAL A 15 -0.477 -3.744 -3.165 1.00 0.00 C ATOM 0 H VAL A 15 0.373 -0.845 -3.198 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.534 -0.916 -2.930 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.457 -3.377 -2.524 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.474 -3.966 -4.971 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.312 -2.428 -4.655 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.663 -2.422 -5.326 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.684 -4.761 -3.497 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.277 -3.297 -3.813 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.108 -3.765 -2.140 1.00 0.00 H new ATOM 188 N PHE A 16 -2.244 -1.695 -0.442 1.00 0.00 N ATOM 189 CA PHE A 16 -1.988 -2.059 0.941 1.00 0.00 C ATOM 190 C PHE A 16 -2.089 -3.571 1.030 1.00 0.00 C ATOM 191 O PHE A 16 -3.108 -4.149 0.638 1.00 0.00 O ATOM 192 CB PHE A 16 -2.970 -1.379 1.897 1.00 0.00 C ATOM 193 CG PHE A 16 -2.831 0.126 1.915 1.00 0.00 C ATOM 194 CD1 PHE A 16 -1.821 0.731 2.683 1.00 0.00 C ATOM 195 CD2 PHE A 16 -3.683 0.923 1.131 1.00 0.00 C ATOM 196 CE1 PHE A 16 -1.671 2.130 2.671 1.00 0.00 C ATOM 197 CE2 PHE A 16 -3.541 2.319 1.143 1.00 0.00 C ATOM 198 CZ PHE A 16 -2.535 2.927 1.909 1.00 0.00 C ATOM 0 H PHE A 16 -3.229 -1.732 -0.704 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.996 -1.721 1.242 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.988 -1.641 1.610 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.814 -1.765 2.904 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.160 0.122 3.282 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.445 0.462 0.521 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.886 2.591 3.252 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.212 2.931 0.558 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.428 4.002 1.911 1.00 0.00 H new ATOM 208 N ALA A 17 -1.037 -4.202 1.547 1.00 0.00 N ATOM 209 CA ALA A 17 -1.045 -5.617 1.873 1.00 0.00 C ATOM 210 C ALA A 17 -1.448 -5.778 3.333 1.00 0.00 C ATOM 211 O ALA A 17 -1.187 -4.882 4.143 1.00 0.00 O ATOM 212 CB ALA A 17 0.352 -6.193 1.630 1.00 0.00 C ATOM 0 H ALA A 17 -0.152 -3.738 1.751 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.757 -6.154 1.246 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.355 -7.256 1.873 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.624 -6.059 0.583 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.074 -5.675 2.261 1.00 0.00 H new ATOM 218 N LYS A 18 -2.020 -6.925 3.712 1.00 0.00 N ATOM 219 CA LYS A 18 -2.366 -7.199 5.103 1.00 0.00 C ATOM 220 C LYS A 18 -1.821 -8.569 5.492 1.00 0.00 C ATOM 221 O LYS A 18 -2.384 -9.600 5.115 1.00 0.00 O ATOM 222 CB LYS A 18 -3.886 -7.077 5.261 1.00 0.00 C ATOM 223 CG LYS A 18 -4.391 -7.188 6.709 1.00 0.00 C ATOM 224 CD LYS A 18 -3.862 -6.039 7.575 1.00 0.00 C ATOM 225 CE LYS A 18 -4.612 -5.898 8.901 1.00 0.00 C ATOM 226 NZ LYS A 18 -4.281 -6.974 9.854 1.00 0.00 N ATOM 0 H LYS A 18 -2.253 -7.681 3.068 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.912 -6.478 5.783 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.205 -6.118 4.852 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.364 -7.853 4.663 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.481 -7.180 6.718 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.076 -8.141 7.134 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.803 -6.201 7.778 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.940 -5.105 7.018 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.373 -4.934 9.349 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.685 -5.903 8.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.814 -6.833 10.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.533 -7.894 9.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.262 -6.954 10.059 1.00 0.00 H new ATOM 240 N MET A 19 -0.750 -8.571 6.284 1.00 0.00 N ATOM 241 CA MET A 19 -0.212 -9.777 6.888 1.00 0.00 C ATOM 242 C MET A 19 -1.127 -10.250 8.019 1.00 0.00 C ATOM 243 O MET A 19 -2.040 -9.538 8.464 1.00 0.00 O ATOM 244 CB MET A 19 1.237 -9.560 7.366 1.00 0.00 C ATOM 245 CG MET A 19 2.214 -10.282 6.438 1.00 0.00 C ATOM 246 SD MET A 19 3.880 -10.487 7.119 1.00 0.00 S ATOM 247 CE MET A 19 4.553 -8.813 6.995 1.00 0.00 C ATOM 0 H MET A 19 -0.231 -7.726 6.523 1.00 0.00 H new ATOM 0 HA MET A 19 -0.178 -10.564 6.135 1.00 0.00 H new ATOM 0 HB2 MET A 19 1.465 -8.494 7.387 1.00 0.00 H new ATOM 0 HB3 MET A 19 1.351 -9.931 8.385 1.00 0.00 H new ATOM 0 HG2 MET A 19 1.809 -11.265 6.198 1.00 0.00 H new ATOM 0 HG3 MET A 19 2.283 -9.729 5.501 1.00 0.00 H new ATOM 0 HE1 MET A 19 5.572 -8.801 7.381 1.00 0.00 H new ATOM 0 HE2 MET A 19 4.556 -8.498 5.951 1.00 0.00 H new ATOM 0 HE3 MET A 19 3.937 -8.129 7.578 1.00 0.00 H new ATOM 257 N LYS A 20 -0.878 -11.465 8.508 1.00 0.00 N ATOM 258 CA LYS A 20 -1.697 -12.147 9.502 1.00 0.00 C ATOM 259 C LYS A 20 -1.351 -11.662 10.919 1.00 0.00 C ATOM 260 O LYS A 20 -1.058 -12.476 11.792 1.00 0.00 O ATOM 261 CB LYS A 20 -1.507 -13.666 9.313 1.00 0.00 C ATOM 262 CG LYS A 20 -2.634 -14.516 9.916 1.00 0.00 C ATOM 263 CD LYS A 20 -3.831 -14.682 8.971 1.00 0.00 C ATOM 264 CE LYS A 20 -4.899 -15.573 9.618 1.00 0.00 C ATOM 265 NZ LYS A 20 -4.473 -16.982 9.764 1.00 0.00 N ATOM 0 H LYS A 20 -0.073 -12.017 8.211 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.753 -11.913 9.366 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.433 -13.883 8.247 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.561 -13.962 9.765 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.242 -15.500 10.173 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.972 -14.055 10.844 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.255 -13.706 8.736 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.502 -15.122 8.030 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.150 -15.173 10.600 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.807 -15.535 9.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.288 -17.563 10.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.099 -17.327 8.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.732 -17.047 10.491 1.00 0.00 H new ATOM 279 N GLY A 21 -1.415 -10.353 11.161 1.00 0.00 N ATOM 280 CA GLY A 21 -1.287 -9.762 12.491 1.00 0.00 C ATOM 281 C GLY A 21 -0.670 -8.367 12.453 1.00 0.00 C ATOM 282 O GLY A 21 -0.966 -7.525 13.306 1.00 0.00 O ATOM 0 H GLY A 21 -1.560 -9.662 10.425 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.271 -9.708 12.957 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.673 -10.411 13.116 1.00 0.00 H new ATOM 286 N TYR A 22 0.163 -8.091 11.452 1.00 0.00 N ATOM 287 CA TYR A 22 0.609 -6.738 11.132 1.00 0.00 C ATOM 288 C TYR A 22 -0.550 -5.922 10.540 1.00 0.00 C ATOM 289 O TYR A 22 -1.553 -6.502 10.109 1.00 0.00 O ATOM 290 CB TYR A 22 1.794 -6.823 10.163 1.00 0.00 C ATOM 291 CG TYR A 22 3.095 -7.222 10.828 1.00 0.00 C ATOM 292 CD1 TYR A 22 3.733 -6.320 11.699 1.00 0.00 C ATOM 293 CD2 TYR A 22 3.659 -8.491 10.597 1.00 0.00 C ATOM 294 CE1 TYR A 22 4.894 -6.705 12.384 1.00 0.00 C ATOM 295 CE2 TYR A 22 4.824 -8.883 11.280 1.00 0.00 C ATOM 296 CZ TYR A 22 5.437 -7.993 12.192 1.00 0.00 C ATOM 297 OH TYR A 22 6.514 -8.366 12.936 1.00 0.00 O ATOM 0 H TYR A 22 0.550 -8.806 10.836 1.00 0.00 H new ATOM 0 HA TYR A 22 0.935 -6.226 12.038 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.560 -7.544 9.379 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.926 -5.856 9.678 1.00 0.00 H new ATOM 0 HD1 TYR A 22 3.328 -5.329 11.840 1.00 0.00 H new ATOM 0 HD2 TYR A 22 3.195 -9.166 9.893 1.00 0.00 H new ATOM 0 HE1 TYR A 22 5.374 -6.014 13.061 1.00 0.00 H new ATOM 0 HE2 TYR A 22 5.249 -9.861 11.109 1.00 0.00 H new ATOM 0 HH TYR A 22 6.777 -9.279 12.696 1.00 0.00 H new ATOM 307 N PRO A 23 -0.448 -4.583 10.562 1.00 0.00 N ATOM 308 CA PRO A 23 -1.452 -3.681 10.013 1.00 0.00 C ATOM 309 C PRO A 23 -1.423 -3.664 8.478 1.00 0.00 C ATOM 310 O PRO A 23 -0.601 -4.328 7.848 1.00 0.00 O ATOM 311 CB PRO A 23 -1.143 -2.309 10.624 1.00 0.00 C ATOM 312 CG PRO A 23 0.331 -2.380 11.019 1.00 0.00 C ATOM 313 CD PRO A 23 0.626 -3.851 11.209 1.00 0.00 C ATOM 0 HA PRO A 23 -2.464 -4.000 10.263 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -1.322 -1.508 9.907 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -1.775 -2.110 11.489 1.00 0.00 H new ATOM 0 HG2 PRO A 23 0.966 -1.949 10.245 1.00 0.00 H new ATOM 0 HG3 PRO A 23 0.520 -1.820 11.935 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.590 -4.111 10.771 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.680 -4.100 12.269 1.00 0.00 H new ATOM 321 N HIS A 24 -2.336 -2.901 7.874 1.00 0.00 N ATOM 322 CA HIS A 24 -2.374 -2.623 6.439 1.00 0.00 C ATOM 323 C HIS A 24 -1.081 -1.876 6.120 1.00 0.00 C ATOM 324 O HIS A 24 -0.871 -0.786 6.653 1.00 0.00 O ATOM 325 CB HIS A 24 -3.626 -1.796 6.080 1.00 0.00 C ATOM 326 CG HIS A 24 -4.874 -2.280 6.774 1.00 0.00 C ATOM 327 ND1 HIS A 24 -5.229 -1.952 8.062 1.00 0.00 N ATOM 328 CD2 HIS A 24 -5.754 -3.228 6.325 1.00 0.00 C ATOM 329 CE1 HIS A 24 -6.265 -2.724 8.405 1.00 0.00 C ATOM 330 NE2 HIS A 24 -6.616 -3.528 7.389 1.00 0.00 N ATOM 0 H HIS A 24 -3.092 -2.446 8.386 1.00 0.00 H new ATOM 0 HA HIS A 24 -2.441 -3.537 5.848 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -3.453 -0.753 6.343 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -3.780 -1.831 5.002 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -5.779 -3.663 5.337 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -6.753 -2.704 9.368 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -7.364 -4.222 7.391 1.00 0.00 H new ATOM 338 N TRP A 25 -0.178 -2.488 5.361 1.00 0.00 N ATOM 339 CA TRP A 25 1.207 -2.054 5.195 1.00 0.00 C ATOM 340 C TRP A 25 1.399 -1.629 3.737 1.00 0.00 C ATOM 341 O TRP A 25 0.791 -2.253 2.858 1.00 0.00 O ATOM 342 CB TRP A 25 2.137 -3.216 5.591 1.00 0.00 C ATOM 343 CG TRP A 25 3.584 -2.904 5.836 1.00 0.00 C ATOM 344 CD1 TRP A 25 4.513 -2.605 4.899 1.00 0.00 C ATOM 345 CD2 TRP A 25 4.314 -2.949 7.098 1.00 0.00 C ATOM 346 NE1 TRP A 25 5.735 -2.372 5.493 1.00 0.00 N ATOM 347 CE2 TRP A 25 5.668 -2.574 6.856 1.00 0.00 C ATOM 348 CE3 TRP A 25 3.981 -3.347 8.412 1.00 0.00 C ATOM 349 CZ2 TRP A 25 6.618 -2.531 7.883 1.00 0.00 C ATOM 350 CZ3 TRP A 25 4.935 -3.327 9.445 1.00 0.00 C ATOM 351 CH2 TRP A 25 6.250 -2.909 9.184 1.00 0.00 C ATOM 0 H TRP A 25 -0.396 -3.328 4.826 1.00 0.00 H new ATOM 0 HA TRP A 25 1.447 -1.204 5.834 1.00 0.00 H new ATOM 0 HB2 TRP A 25 1.735 -3.673 6.496 1.00 0.00 H new ATOM 0 HB3 TRP A 25 2.086 -3.969 4.804 1.00 0.00 H new ATOM 0 HD1 TRP A 25 4.324 -2.556 3.837 1.00 0.00 H new ATOM 0 HE1 TRP A 25 6.577 -2.088 4.992 1.00 0.00 H new ATOM 0 HE3 TRP A 25 2.974 -3.673 8.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.628 -2.209 7.676 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.656 -3.634 10.442 1.00 0.00 H new ATOM 0 HH2 TRP A 25 6.977 -2.878 9.982 1.00 0.00 H new ATOM 362 N PRO A 26 2.200 -0.586 3.464 1.00 0.00 N ATOM 363 CA PRO A 26 2.445 -0.112 2.110 1.00 0.00 C ATOM 364 C PRO A 26 3.225 -1.151 1.298 1.00 0.00 C ATOM 365 O PRO A 26 4.298 -1.589 1.715 1.00 0.00 O ATOM 366 CB PRO A 26 3.197 1.212 2.273 1.00 0.00 C ATOM 367 CG PRO A 26 3.869 1.103 3.637 1.00 0.00 C ATOM 368 CD PRO A 26 2.866 0.279 4.432 1.00 0.00 C ATOM 0 HA PRO A 26 1.524 0.042 1.549 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.931 1.352 1.479 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.517 2.063 2.232 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.839 0.611 3.573 1.00 0.00 H new ATOM 0 HG3 PRO A 26 4.037 2.082 4.086 1.00 0.00 H new ATOM 0 HD2 PRO A 26 3.367 -0.309 5.201 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.147 0.922 4.940 1.00 0.00 H new ATOM 376 N ALA A 27 2.685 -1.574 0.153 1.00 0.00 N ATOM 377 CA ALA A 27 3.331 -2.553 -0.705 1.00 0.00 C ATOM 378 C ALA A 27 3.079 -2.215 -2.170 1.00 0.00 C ATOM 379 O ALA A 27 2.113 -1.525 -2.512 1.00 0.00 O ATOM 380 CB ALA A 27 2.814 -3.955 -0.359 1.00 0.00 C ATOM 0 H ALA A 27 1.787 -1.244 -0.200 1.00 0.00 H new ATOM 0 HA ALA A 27 4.408 -2.532 -0.540 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.298 -4.690 -1.002 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.041 -4.179 0.683 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.735 -3.993 -0.512 1.00 0.00 H new ATOM 386 N ARG A 28 3.921 -2.737 -3.056 1.00 0.00 N ATOM 387 CA ARG A 28 3.804 -2.508 -4.490 1.00 0.00 C ATOM 388 C ARG A 28 3.482 -3.842 -5.152 1.00 0.00 C ATOM 389 O ARG A 28 4.030 -4.868 -4.740 1.00 0.00 O ATOM 390 CB ARG A 28 5.067 -1.776 -4.995 1.00 0.00 C ATOM 391 CG ARG A 28 6.195 -2.644 -5.564 1.00 0.00 C ATOM 392 CD ARG A 28 7.374 -1.845 -6.149 1.00 0.00 C ATOM 393 NE ARG A 28 7.211 -1.596 -7.595 1.00 0.00 N ATOM 394 CZ ARG A 28 6.592 -0.566 -8.184 1.00 0.00 C ATOM 395 NH1 ARG A 28 6.107 0.439 -7.457 1.00 0.00 N ATOM 396 NH2 ARG A 28 6.459 -0.508 -9.505 1.00 0.00 N ATOM 0 H ARG A 28 4.707 -3.333 -2.797 1.00 0.00 H new ATOM 0 HA ARG A 28 2.984 -1.841 -4.756 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.763 -1.068 -5.766 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.473 -1.192 -4.169 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.569 -3.297 -4.775 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.785 -3.288 -6.342 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.462 -0.893 -5.625 1.00 0.00 H new ATOM 0 HD3 ARG A 28 8.302 -2.390 -5.978 1.00 0.00 H new ATOM 0 HE ARG A 28 7.619 -2.292 -8.219 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.206 0.428 -6.442 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.637 1.220 -7.915 1.00 0.00 H new ATOM 0 HH21 ARG A 28 6.832 -1.257 -10.088 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.984 0.285 -9.935 1.00 0.00 H new ATOM 410 N ILE A 29 2.576 -3.842 -6.132 1.00 0.00 N ATOM 411 CA ILE A 29 2.425 -4.943 -7.074 1.00 0.00 C ATOM 412 C ILE A 29 3.613 -4.769 -8.010 1.00 0.00 C ATOM 413 O ILE A 29 3.561 -3.959 -8.943 1.00 0.00 O ATOM 414 CB ILE A 29 1.074 -4.897 -7.831 1.00 0.00 C ATOM 415 CG1 ILE A 29 -0.144 -4.828 -6.885 1.00 0.00 C ATOM 416 CG2 ILE A 29 0.963 -6.094 -8.789 1.00 0.00 C ATOM 417 CD1 ILE A 29 -0.540 -6.157 -6.240 1.00 0.00 C ATOM 0 H ILE A 29 1.925 -3.073 -6.292 1.00 0.00 H new ATOM 0 HA ILE A 29 2.412 -5.915 -6.581 1.00 0.00 H new ATOM 0 HB ILE A 29 1.061 -3.973 -8.409 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.069 -4.108 -6.095 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.998 -4.445 -7.444 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.010 -6.051 -9.316 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.778 -6.059 -9.511 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.022 -7.022 -8.220 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.405 -6.005 -5.594 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.791 -6.878 -7.018 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.293 -6.536 -5.648 1.00 0.00 H new ATOM 429 N ASP A 30 4.709 -5.446 -7.677 1.00 0.00 N ATOM 430 CA ASP A 30 5.946 -5.338 -8.433 1.00 0.00 C ATOM 431 C ASP A 30 5.811 -6.189 -9.700 1.00 0.00 C ATOM 432 O ASP A 30 4.705 -6.591 -10.088 1.00 0.00 O ATOM 433 CB ASP A 30 7.150 -5.707 -7.531 1.00 0.00 C ATOM 434 CG ASP A 30 8.379 -4.817 -7.756 1.00 0.00 C ATOM 435 OD1 ASP A 30 8.343 -3.947 -8.655 1.00 0.00 O ATOM 436 OD2 ASP A 30 9.329 -4.895 -6.945 1.00 0.00 O ATOM 0 H ASP A 30 4.761 -6.080 -6.880 1.00 0.00 H new ATOM 0 HA ASP A 30 6.137 -4.315 -8.758 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.846 -5.636 -6.487 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.425 -6.746 -7.713 1.00 0.00 H new ATOM 441 N GLU A 31 6.916 -6.494 -10.367 1.00 0.00 N ATOM 442 CA GLU A 31 6.953 -7.540 -11.384 1.00 0.00 C ATOM 443 C GLU A 31 8.068 -8.522 -11.023 1.00 0.00 C ATOM 444 O GLU A 31 8.529 -8.537 -9.873 1.00 0.00 O ATOM 445 CB GLU A 31 7.008 -6.917 -12.791 1.00 0.00 C ATOM 446 CG GLU A 31 5.878 -7.458 -13.681 1.00 0.00 C ATOM 447 CD GLU A 31 6.121 -8.882 -14.185 1.00 0.00 C ATOM 448 OE1 GLU A 31 7.117 -9.086 -14.913 1.00 0.00 O ATOM 449 OE2 GLU A 31 5.324 -9.789 -13.841 1.00 0.00 O ATOM 0 H GLU A 31 7.810 -6.026 -10.220 1.00 0.00 H new ATOM 0 HA GLU A 31 6.038 -8.132 -11.408 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.928 -5.833 -12.715 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.972 -7.134 -13.251 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.943 -7.435 -13.121 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.753 -6.795 -14.537 1.00 0.00 H new ATOM 597 N ASN A 42 -3.532 -17.195 -8.410 1.00 0.00 N ATOM 598 CA ASN A 42 -4.383 -16.101 -7.951 1.00 0.00 C ATOM 599 C ASN A 42 -3.618 -15.078 -7.109 1.00 0.00 C ATOM 600 O ASN A 42 -4.255 -14.314 -6.382 1.00 0.00 O ATOM 601 CB ASN A 42 -5.631 -16.614 -7.200 1.00 0.00 C ATOM 602 CG ASN A 42 -6.411 -17.717 -7.898 1.00 0.00 C ATOM 603 OD1 ASN A 42 -6.741 -18.729 -7.287 1.00 0.00 O ATOM 604 ND2 ASN A 42 -6.730 -17.561 -9.170 1.00 0.00 N ATOM 0 HA ASN A 42 -4.725 -15.587 -8.850 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -5.320 -16.978 -6.221 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -6.302 -15.772 -7.029 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.257 -18.286 -9.656 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.450 -16.715 -9.666 1.00 0.00 H new ATOM 611 N LYS A 43 -2.278 -15.048 -7.155 1.00 0.00 N ATOM 612 CA LYS A 43 -1.482 -14.150 -6.316 1.00 0.00 C ATOM 613 C LYS A 43 -0.530 -13.295 -7.140 1.00 0.00 C ATOM 614 O LYS A 43 -0.199 -13.634 -8.274 1.00 0.00 O ATOM 615 CB LYS A 43 -0.744 -14.939 -5.227 1.00 0.00 C ATOM 616 CG LYS A 43 -1.683 -15.822 -4.392 1.00 0.00 C ATOM 617 CD LYS A 43 -1.050 -16.262 -3.069 1.00 0.00 C ATOM 618 CE LYS A 43 -1.558 -17.652 -2.678 1.00 0.00 C ATOM 619 NZ LYS A 43 -0.777 -18.202 -1.555 1.00 0.00 N ATOM 0 H LYS A 43 -1.722 -15.642 -7.771 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.168 -13.461 -5.823 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.018 -15.565 -5.691 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.226 -14.242 -4.568 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.604 -15.276 -4.187 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.958 -16.704 -4.971 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.036 -16.277 -3.164 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.292 -15.544 -2.285 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.610 -17.594 -2.400 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.491 -18.322 -3.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.140 -19.145 -1.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.223 -18.278 -1.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.862 -17.572 -0.732 1.00 0.00 H new ATOM 633 N TYR A 44 -0.066 -12.202 -6.536 1.00 0.00 N ATOM 634 CA TYR A 44 0.739 -11.157 -7.155 1.00 0.00 C ATOM 635 C TYR A 44 2.049 -11.003 -6.369 1.00 0.00 C ATOM 636 O TYR A 44 2.054 -11.323 -5.179 1.00 0.00 O ATOM 637 CB TYR A 44 -0.051 -9.840 -7.144 1.00 0.00 C ATOM 638 CG TYR A 44 -1.486 -9.940 -7.630 1.00 0.00 C ATOM 639 CD1 TYR A 44 -1.779 -9.857 -9.003 1.00 0.00 C ATOM 640 CD2 TYR A 44 -2.529 -10.114 -6.700 1.00 0.00 C ATOM 641 CE1 TYR A 44 -3.108 -9.945 -9.454 1.00 0.00 C ATOM 642 CE2 TYR A 44 -3.859 -10.206 -7.144 1.00 0.00 C ATOM 643 CZ TYR A 44 -4.156 -10.113 -8.524 1.00 0.00 C ATOM 644 OH TYR A 44 -5.446 -10.178 -8.963 1.00 0.00 O ATOM 0 H TYR A 44 -0.253 -12.014 -5.551 1.00 0.00 H new ATOM 0 HA TYR A 44 0.973 -11.420 -8.187 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.056 -9.447 -6.127 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.476 -9.114 -7.764 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.978 -9.725 -9.716 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.307 -10.177 -5.645 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.326 -9.884 -10.510 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.657 -10.348 -6.430 1.00 0.00 H new ATOM 0 HH TYR A 44 -6.046 -10.296 -8.198 1.00 0.00 H new ATOM 654 N PRO A 45 3.153 -10.549 -6.986 1.00 0.00 N ATOM 655 CA PRO A 45 4.423 -10.273 -6.315 1.00 0.00 C ATOM 656 C PRO A 45 4.323 -9.032 -5.418 1.00 0.00 C ATOM 657 O PRO A 45 4.509 -7.905 -5.878 1.00 0.00 O ATOM 658 CB PRO A 45 5.443 -10.119 -7.449 1.00 0.00 C ATOM 659 CG PRO A 45 4.608 -9.583 -8.599 1.00 0.00 C ATOM 660 CD PRO A 45 3.269 -10.288 -8.414 1.00 0.00 C ATOM 0 HA PRO A 45 4.720 -11.071 -5.635 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.244 -9.431 -7.179 1.00 0.00 H new ATOM 0 HB3 PRO A 45 5.911 -11.071 -7.701 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.503 -8.499 -8.550 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.056 -9.816 -9.565 1.00 0.00 H new ATOM 0 HD2 PRO A 45 2.447 -9.665 -8.766 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.233 -11.216 -8.985 1.00 0.00 H new ATOM 668 N ILE A 46 4.018 -9.242 -4.135 1.00 0.00 N ATOM 669 CA ILE A 46 3.927 -8.185 -3.134 1.00 0.00 C ATOM 670 C ILE A 46 5.322 -7.933 -2.564 1.00 0.00 C ATOM 671 O ILE A 46 5.838 -8.756 -1.804 1.00 0.00 O ATOM 672 CB ILE A 46 2.901 -8.570 -2.043 1.00 0.00 C ATOM 673 CG1 ILE A 46 1.532 -8.986 -2.625 1.00 0.00 C ATOM 674 CG2 ILE A 46 2.663 -7.443 -1.031 1.00 0.00 C ATOM 675 CD1 ILE A 46 0.922 -7.988 -3.620 1.00 0.00 C ATOM 0 H ILE A 46 3.824 -10.170 -3.759 1.00 0.00 H new ATOM 0 HA ILE A 46 3.570 -7.259 -3.583 1.00 0.00 H new ATOM 0 HB ILE A 46 3.353 -9.424 -1.538 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.642 -9.950 -3.121 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.832 -9.130 -1.802 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.934 -7.769 -0.289 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.601 -7.196 -0.534 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.284 -6.562 -1.550 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.037 -8.367 -3.973 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.773 -7.027 -3.127 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.596 -7.861 -4.467 1.00 0.00 H new ATOM 687 N PHE A 47 5.917 -6.793 -2.916 1.00 0.00 N ATOM 688 CA PHE A 47 7.092 -6.251 -2.239 1.00 0.00 C ATOM 689 C PHE A 47 6.590 -5.260 -1.187 1.00 0.00 C ATOM 690 O PHE A 47 5.878 -4.309 -1.529 1.00 0.00 O ATOM 691 CB PHE A 47 8.017 -5.601 -3.272 1.00 0.00 C ATOM 692 CG PHE A 47 9.158 -4.776 -2.706 1.00 0.00 C ATOM 693 CD1 PHE A 47 10.216 -5.416 -2.035 1.00 0.00 C ATOM 694 CD2 PHE A 47 9.202 -3.379 -2.896 1.00 0.00 C ATOM 695 CE1 PHE A 47 11.334 -4.682 -1.609 1.00 0.00 C ATOM 696 CE2 PHE A 47 10.308 -2.643 -2.441 1.00 0.00 C ATOM 697 CZ PHE A 47 11.376 -3.293 -1.805 1.00 0.00 C ATOM 0 H PHE A 47 5.591 -6.214 -3.690 1.00 0.00 H new ATOM 0 HA PHE A 47 7.676 -7.025 -1.741 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.437 -6.386 -3.901 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.417 -4.961 -3.919 1.00 0.00 H new ATOM 0 HD1 PHE A 47 10.168 -6.478 -1.847 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.385 -2.875 -3.391 1.00 0.00 H new ATOM 0 HE1 PHE A 47 12.161 -5.186 -1.131 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.336 -1.573 -2.581 1.00 0.00 H new ATOM 0 HZ PHE A 47 12.230 -2.725 -1.466 1.00 0.00 H new ATOM 707 N PHE A 48 6.886 -5.520 0.088 1.00 0.00 N ATOM 708 CA PHE A 48 6.542 -4.659 1.213 1.00 0.00 C ATOM 709 C PHE A 48 7.601 -3.560 1.303 1.00 0.00 C ATOM 710 O PHE A 48 8.752 -3.843 1.646 1.00 0.00 O ATOM 711 CB PHE A 48 6.510 -5.460 2.528 1.00 0.00 C ATOM 712 CG PHE A 48 5.435 -6.531 2.633 1.00 0.00 C ATOM 713 CD1 PHE A 48 5.664 -7.811 2.092 1.00 0.00 C ATOM 714 CD2 PHE A 48 4.236 -6.282 3.333 1.00 0.00 C ATOM 715 CE1 PHE A 48 4.713 -8.831 2.259 1.00 0.00 C ATOM 716 CE2 PHE A 48 3.286 -7.308 3.504 1.00 0.00 C ATOM 717 CZ PHE A 48 3.523 -8.584 2.963 1.00 0.00 C ATOM 0 H PHE A 48 7.387 -6.362 0.371 1.00 0.00 H new ATOM 0 HA PHE A 48 5.551 -4.231 1.059 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.482 -5.935 2.664 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.379 -4.760 3.353 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.575 -8.009 1.546 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.045 -5.300 3.740 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.898 -9.811 1.844 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.375 -7.114 4.051 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.793 -9.370 3.088 1.00 0.00 H new ATOM 727 N PHE A 49 7.215 -2.317 1.015 1.00 0.00 N ATOM 728 CA PHE A 49 8.100 -1.168 1.138 1.00 0.00 C ATOM 729 C PHE A 49 8.566 -1.004 2.596 1.00 0.00 C ATOM 730 O PHE A 49 7.915 -1.468 3.546 1.00 0.00 O ATOM 731 CB PHE A 49 7.374 0.083 0.620 1.00 0.00 C ATOM 732 CG PHE A 49 7.440 0.309 -0.877 1.00 0.00 C ATOM 733 CD1 PHE A 49 8.700 0.413 -1.486 1.00 0.00 C ATOM 734 CD2 PHE A 49 6.284 0.547 -1.643 1.00 0.00 C ATOM 735 CE1 PHE A 49 8.814 0.811 -2.821 1.00 0.00 C ATOM 736 CE2 PHE A 49 6.397 0.961 -2.982 1.00 0.00 C ATOM 737 CZ PHE A 49 7.665 1.100 -3.573 1.00 0.00 C ATOM 0 H PHE A 49 6.277 -2.082 0.690 1.00 0.00 H new ATOM 0 HA PHE A 49 8.995 -1.319 0.534 1.00 0.00 H new ATOM 0 HB2 PHE A 49 6.326 0.020 0.913 1.00 0.00 H new ATOM 0 HB3 PHE A 49 7.793 0.957 1.120 1.00 0.00 H new ATOM 0 HD1 PHE A 49 9.590 0.183 -0.918 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.308 0.411 -1.202 1.00 0.00 H new ATOM 0 HE1 PHE A 49 9.790 0.896 -3.275 1.00 0.00 H new ATOM 0 HE2 PHE A 49 5.508 1.173 -3.558 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.754 1.427 -4.598 1.00 0.00 H new ATOM 747 N GLY A 50 9.702 -0.329 2.789 1.00 0.00 N ATOM 748 CA GLY A 50 10.359 -0.161 4.078 1.00 0.00 C ATOM 749 C GLY A 50 11.068 -1.440 4.528 1.00 0.00 C ATOM 750 O GLY A 50 12.299 -1.500 4.553 1.00 0.00 O ATOM 0 H GLY A 50 10.201 0.128 2.026 1.00 0.00 H new ATOM 0 HA2 GLY A 50 11.083 0.652 4.013 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.621 0.128 4.827 1.00 0.00 H new ATOM 754 N THR A 51 10.323 -2.480 4.904 1.00 0.00 N ATOM 755 CA THR A 51 10.915 -3.733 5.363 1.00 0.00 C ATOM 756 C THR A 51 11.619 -4.490 4.234 1.00 0.00 C ATOM 757 O THR A 51 12.544 -5.246 4.529 1.00 0.00 O ATOM 758 CB THR A 51 9.864 -4.611 6.057 1.00 0.00 C ATOM 759 OG1 THR A 51 8.590 -4.502 5.449 1.00 0.00 O ATOM 760 CG2 THR A 51 9.740 -4.223 7.530 1.00 0.00 C ATOM 0 H THR A 51 9.303 -2.477 4.899 1.00 0.00 H new ATOM 0 HA THR A 51 11.683 -3.479 6.094 1.00 0.00 H new ATOM 0 HB THR A 51 10.203 -5.643 5.963 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.992 -3.989 6.032 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.992 -4.853 8.010 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.702 -4.360 8.025 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.438 -3.178 7.607 1.00 0.00 H new ATOM 768 N HIS A 52 11.267 -4.237 2.967 1.00 0.00 N ATOM 769 CA HIS A 52 11.812 -4.858 1.758 1.00 0.00 C ATOM 770 C HIS A 52 11.484 -6.354 1.631 1.00 0.00 C ATOM 771 O HIS A 52 12.020 -7.031 0.750 1.00 0.00 O ATOM 772 CB HIS A 52 13.314 -4.554 1.575 1.00 0.00 C ATOM 773 CG HIS A 52 13.627 -3.242 0.910 1.00 0.00 C ATOM 774 ND1 HIS A 52 14.538 -3.095 -0.109 1.00 0.00 N ATOM 775 CD2 HIS A 52 13.092 -2.010 1.179 1.00 0.00 C ATOM 776 CE1 HIS A 52 14.562 -1.797 -0.447 1.00 0.00 C ATOM 777 NE2 HIS A 52 13.699 -1.096 0.312 1.00 0.00 N ATOM 0 H HIS A 52 10.547 -3.548 2.747 1.00 0.00 H new ATOM 0 HA HIS A 52 11.294 -4.387 0.923 1.00 0.00 H new ATOM 0 HB2 HIS A 52 13.793 -4.570 2.554 1.00 0.00 H new ATOM 0 HB3 HIS A 52 13.761 -5.356 0.988 1.00 0.00 H new ATOM 0 HD2 HIS A 52 12.341 -1.786 1.922 1.00 0.00 H new ATOM 0 HE1 HIS A 52 15.186 -1.374 -1.220 1.00 0.00 H new ATOM 0 HE2 HIS A 52 13.522 -0.093 0.264 1.00 0.00 H new ATOM 785 N GLU A 53 10.598 -6.897 2.470 1.00 0.00 N ATOM 786 CA GLU A 53 10.217 -8.292 2.319 1.00 0.00 C ATOM 787 C GLU A 53 9.438 -8.490 1.020 1.00 0.00 C ATOM 788 O GLU A 53 8.850 -7.565 0.458 1.00 0.00 O ATOM 789 CB GLU A 53 9.428 -8.803 3.528 1.00 0.00 C ATOM 790 CG GLU A 53 10.339 -8.861 4.758 1.00 0.00 C ATOM 791 CD GLU A 53 9.775 -9.759 5.850 1.00 0.00 C ATOM 792 OE1 GLU A 53 8.685 -9.438 6.380 1.00 0.00 O ATOM 793 OE2 GLU A 53 10.424 -10.780 6.184 1.00 0.00 O ATOM 0 H GLU A 53 10.145 -6.403 3.239 1.00 0.00 H new ATOM 0 HA GLU A 53 11.130 -8.885 2.268 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.580 -8.147 3.723 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.023 -9.793 3.317 1.00 0.00 H new ATOM 0 HG2 GLU A 53 11.323 -9.226 4.462 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.477 -7.855 5.153 1.00 0.00 H new ATOM 800 N THR A 54 9.412 -9.734 0.559 1.00 0.00 N ATOM 801 CA THR A 54 8.809 -10.147 -0.695 1.00 0.00 C ATOM 802 C THR A 54 7.948 -11.369 -0.398 1.00 0.00 C ATOM 803 O THR A 54 8.398 -12.286 0.292 1.00 0.00 O ATOM 804 CB THR A 54 9.906 -10.445 -1.739 1.00 0.00 C ATOM 805 OG1 THR A 54 11.188 -10.654 -1.151 1.00 0.00 O ATOM 806 CG2 THR A 54 10.078 -9.292 -2.722 1.00 0.00 C ATOM 0 H THR A 54 9.828 -10.512 1.072 1.00 0.00 H new ATOM 0 HA THR A 54 8.186 -9.359 -1.119 1.00 0.00 H new ATOM 0 HB THR A 54 9.566 -11.351 -2.240 1.00 0.00 H new ATOM 0 HG1 THR A 54 11.844 -10.840 -1.855 1.00 0.00 H new ATOM 0 HG21 THR A 54 10.859 -9.540 -3.441 1.00 0.00 H new ATOM 0 HG22 THR A 54 9.140 -9.121 -3.250 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.358 -8.389 -2.179 1.00 0.00 H new ATOM 814 N ALA A 55 6.697 -11.372 -0.850 1.00 0.00 N ATOM 815 CA ALA A 55 5.760 -12.473 -0.693 1.00 0.00 C ATOM 816 C ALA A 55 4.792 -12.508 -1.878 1.00 0.00 C ATOM 817 O ALA A 55 4.880 -11.694 -2.802 1.00 0.00 O ATOM 818 CB ALA A 55 4.994 -12.313 0.629 1.00 0.00 C ATOM 0 H ALA A 55 6.297 -10.579 -1.352 1.00 0.00 H new ATOM 0 HA ALA A 55 6.307 -13.415 -0.669 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.292 -13.139 0.745 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.699 -12.316 1.461 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.447 -11.370 0.621 1.00 0.00 H new ATOM 824 N PHE A 56 3.829 -13.427 -1.813 1.00 0.00 N ATOM 825 CA PHE A 56 2.721 -13.506 -2.743 1.00 0.00 C ATOM 826 C PHE A 56 1.436 -13.549 -1.927 1.00 0.00 C ATOM 827 O PHE A 56 1.307 -14.397 -1.036 1.00 0.00 O ATOM 828 CB PHE A 56 2.878 -14.721 -3.668 1.00 0.00 C ATOM 829 CG PHE A 56 4.243 -14.821 -4.321 1.00 0.00 C ATOM 830 CD1 PHE A 56 4.597 -13.898 -5.318 1.00 0.00 C ATOM 831 CD2 PHE A 56 5.184 -15.774 -3.882 1.00 0.00 C ATOM 832 CE1 PHE A 56 5.887 -13.907 -5.871 1.00 0.00 C ATOM 833 CE2 PHE A 56 6.478 -15.781 -4.434 1.00 0.00 C ATOM 834 CZ PHE A 56 6.828 -14.846 -5.424 1.00 0.00 C ATOM 0 H PHE A 56 3.804 -14.150 -1.094 1.00 0.00 H new ATOM 0 HA PHE A 56 2.695 -12.635 -3.398 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.693 -15.629 -3.094 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.116 -14.674 -4.446 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.871 -13.176 -5.662 1.00 0.00 H new ATOM 0 HD2 PHE A 56 4.913 -16.495 -3.125 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.154 -13.194 -6.637 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.204 -16.506 -4.097 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.824 -14.851 -5.841 1.00 0.00 H new ATOM 844 N LEU A 57 0.506 -12.636 -2.221 1.00 0.00 N ATOM 845 CA LEU A 57 -0.849 -12.594 -1.661 1.00 0.00 C ATOM 846 C LEU A 57 -1.841 -12.486 -2.817 1.00 0.00 C ATOM 847 O LEU A 57 -1.473 -12.004 -3.893 1.00 0.00 O ATOM 848 CB LEU A 57 -1.032 -11.388 -0.719 1.00 0.00 C ATOM 849 CG LEU A 57 -0.232 -11.441 0.596 1.00 0.00 C ATOM 850 CD1 LEU A 57 -0.269 -10.075 1.290 1.00 0.00 C ATOM 851 CD2 LEU A 57 -0.807 -12.490 1.550 1.00 0.00 C ATOM 0 H LEU A 57 0.682 -11.878 -2.880 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.020 -13.501 -1.081 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.751 -10.483 -1.258 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.091 -11.298 -0.476 1.00 0.00 H new ATOM 0 HG LEU A 57 0.795 -11.709 0.347 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.300 -10.123 2.219 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.169 -9.322 0.635 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.302 -9.807 1.511 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.222 -12.505 2.470 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.843 -12.242 1.783 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.767 -13.472 1.078 1.00 0.00 H new ATOM 863 N GLY A 58 -3.086 -12.918 -2.599 1.00 0.00 N ATOM 864 CA GLY A 58 -4.169 -12.851 -3.569 1.00 0.00 C ATOM 865 C GLY A 58 -5.110 -11.689 -3.257 1.00 0.00 C ATOM 866 O GLY A 58 -4.987 -11.055 -2.208 1.00 0.00 O ATOM 0 H GLY A 58 -3.371 -13.336 -1.713 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.758 -12.732 -4.571 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.727 -13.787 -3.562 1.00 0.00 H new ATOM 870 N PRO A 59 -6.065 -11.385 -4.147 1.00 0.00 N ATOM 871 CA PRO A 59 -6.736 -10.091 -4.164 1.00 0.00 C ATOM 872 C PRO A 59 -7.645 -9.871 -2.953 1.00 0.00 C ATOM 873 O PRO A 59 -7.846 -8.728 -2.553 1.00 0.00 O ATOM 874 CB PRO A 59 -7.510 -10.045 -5.488 1.00 0.00 C ATOM 875 CG PRO A 59 -7.692 -11.516 -5.870 1.00 0.00 C ATOM 876 CD PRO A 59 -6.473 -12.213 -5.265 1.00 0.00 C ATOM 0 HA PRO A 59 -6.011 -9.280 -4.096 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -8.470 -9.543 -5.370 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.957 -9.501 -6.253 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -8.622 -11.920 -5.469 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -7.729 -11.645 -6.952 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.722 -13.222 -4.935 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.671 -12.306 -5.997 1.00 0.00 H new ATOM 884 N LYS A 60 -8.169 -10.933 -2.333 1.00 0.00 N ATOM 885 CA LYS A 60 -9.000 -10.805 -1.134 1.00 0.00 C ATOM 886 C LYS A 60 -8.185 -10.432 0.106 1.00 0.00 C ATOM 887 O LYS A 60 -8.786 -10.022 1.100 1.00 0.00 O ATOM 888 CB LYS A 60 -9.802 -12.099 -0.907 1.00 0.00 C ATOM 889 CG LYS A 60 -10.753 -12.457 -2.062 1.00 0.00 C ATOM 890 CD LYS A 60 -11.874 -11.445 -2.371 1.00 0.00 C ATOM 891 CE LYS A 60 -13.124 -11.620 -1.500 1.00 0.00 C ATOM 892 NZ LYS A 60 -13.079 -10.876 -0.223 1.00 0.00 N ATOM 0 H LYS A 60 -8.031 -11.894 -2.644 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.696 -9.983 -1.301 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.106 -12.924 -0.754 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -10.383 -11.998 0.010 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.157 -12.592 -2.965 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.214 -13.419 -1.838 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.487 -10.435 -2.235 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -12.157 -11.540 -3.419 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.997 -11.296 -2.067 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.259 -12.680 -1.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -14.024 -10.876 0.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.401 -11.332 0.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.781 -9.896 -0.402 1.00 0.00 H new ATOM 906 N ASP A 61 -6.853 -10.546 0.059 1.00 0.00 N ATOM 907 CA ASP A 61 -5.978 -10.162 1.166 1.00 0.00 C ATOM 908 C ASP A 61 -5.464 -8.725 0.995 1.00 0.00 C ATOM 909 O ASP A 61 -4.761 -8.226 1.881 1.00 0.00 O ATOM 910 CB ASP A 61 -4.783 -11.130 1.308 1.00 0.00 C ATOM 911 CG ASP A 61 -5.112 -12.458 1.994 1.00 0.00 C ATOM 912 OD1 ASP A 61 -6.298 -12.747 2.276 1.00 0.00 O ATOM 913 OD2 ASP A 61 -4.172 -13.240 2.259 1.00 0.00 O ATOM 0 H ASP A 61 -6.352 -10.909 -0.752 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.576 -10.216 2.076 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -4.383 -11.339 0.316 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.994 -10.631 1.872 1.00 0.00 H new ATOM 918 N LEU A 62 -5.779 -8.068 -0.129 1.00 0.00 N ATOM 919 CA LEU A 62 -5.127 -6.866 -0.638 1.00 0.00 C ATOM 920 C LEU A 62 -6.171 -5.792 -0.930 1.00 0.00 C ATOM 921 O LEU A 62 -7.318 -6.112 -1.252 1.00 0.00 O ATOM 922 CB LEU A 62 -4.390 -7.210 -1.947 1.00 0.00 C ATOM 923 CG LEU A 62 -3.212 -8.187 -1.808 1.00 0.00 C ATOM 924 CD1 LEU A 62 -2.605 -8.465 -3.183 1.00 0.00 C ATOM 925 CD2 LEU A 62 -2.130 -7.649 -0.874 1.00 0.00 C ATOM 0 H LEU A 62 -6.536 -8.382 -0.736 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.423 -6.496 0.108 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.110 -7.634 -2.648 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.021 -6.285 -2.389 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.600 -9.109 -1.375 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.770 -9.158 -3.079 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.362 -8.904 -3.833 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.249 -7.532 -3.619 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.317 -8.371 -0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.746 -6.707 -1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.554 -7.484 0.117 1.00 0.00 H new ATOM 937 N PHE A 63 -5.759 -4.524 -0.873 1.00 0.00 N ATOM 938 CA PHE A 63 -6.636 -3.381 -1.097 1.00 0.00 C ATOM 939 C PHE A 63 -5.931 -2.356 -1.989 1.00 0.00 C ATOM 940 O PHE A 63 -4.707 -2.211 -1.879 1.00 0.00 O ATOM 941 CB PHE A 63 -7.025 -2.764 0.254 1.00 0.00 C ATOM 942 CG PHE A 63 -7.848 -3.699 1.122 1.00 0.00 C ATOM 943 CD1 PHE A 63 -7.214 -4.667 1.926 1.00 0.00 C ATOM 944 CD2 PHE A 63 -9.253 -3.652 1.061 1.00 0.00 C ATOM 945 CE1 PHE A 63 -7.980 -5.616 2.624 1.00 0.00 C ATOM 946 CE2 PHE A 63 -10.019 -4.593 1.770 1.00 0.00 C ATOM 947 CZ PHE A 63 -9.383 -5.583 2.540 1.00 0.00 C ATOM 0 H PHE A 63 -4.795 -4.263 -0.667 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.545 -3.704 -1.604 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.120 -2.482 0.792 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -7.590 -1.849 0.079 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.137 -4.680 2.006 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -9.743 -2.893 0.469 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.492 -6.370 3.224 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -11.097 -4.556 1.723 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.973 -6.318 3.067 1.00 0.00 H new ATOM 957 N PRO A 64 -6.670 -1.621 -2.842 1.00 0.00 N ATOM 958 CA PRO A 64 -6.092 -0.597 -3.697 1.00 0.00 C ATOM 959 C PRO A 64 -5.493 0.504 -2.835 1.00 0.00 C ATOM 960 O PRO A 64 -6.083 0.916 -1.838 1.00 0.00 O ATOM 961 CB PRO A 64 -7.222 -0.062 -4.583 1.00 0.00 C ATOM 962 CG PRO A 64 -8.508 -0.517 -3.897 1.00 0.00 C ATOM 963 CD PRO A 64 -8.109 -1.707 -3.029 1.00 0.00 C ATOM 0 HA PRO A 64 -5.291 -0.995 -4.320 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.180 1.024 -4.664 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.152 -0.460 -5.595 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -8.935 0.284 -3.293 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.264 -0.801 -4.629 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.627 -1.678 -2.070 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.382 -2.646 -3.510 1.00 0.00 H new ATOM 971 N TYR A 65 -4.337 1.018 -3.244 1.00 0.00 N ATOM 972 CA TYR A 65 -3.684 2.120 -2.565 1.00 0.00 C ATOM 973 C TYR A 65 -4.608 3.329 -2.546 1.00 0.00 C ATOM 974 O TYR A 65 -5.075 3.749 -1.500 1.00 0.00 O ATOM 975 CB TYR A 65 -2.369 2.434 -3.272 1.00 0.00 C ATOM 976 CG TYR A 65 -1.698 3.714 -2.814 1.00 0.00 C ATOM 977 CD1 TYR A 65 -1.252 3.827 -1.487 1.00 0.00 C ATOM 978 CD2 TYR A 65 -1.527 4.793 -3.704 1.00 0.00 C ATOM 979 CE1 TYR A 65 -0.581 4.979 -1.053 1.00 0.00 C ATOM 980 CE2 TYR A 65 -0.832 5.944 -3.283 1.00 0.00 C ATOM 981 CZ TYR A 65 -0.350 6.039 -1.954 1.00 0.00 C ATOM 982 OH TYR A 65 0.293 7.163 -1.534 1.00 0.00 O ATOM 0 H TYR A 65 -3.829 0.677 -4.060 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.464 1.850 -1.532 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -1.681 1.603 -3.118 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.554 2.500 -4.344 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -1.428 3.018 -0.794 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -1.927 4.738 -4.706 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.242 5.054 -0.030 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -0.666 6.756 -3.975 1.00 0.00 H new ATOM 0 HH TYR A 65 0.371 7.794 -2.280 1.00 0.00 H new ATOM 992 N LYS A 66 -4.899 3.887 -3.716 1.00 0.00 N ATOM 993 CA LYS A 66 -5.444 5.232 -3.856 1.00 0.00 C ATOM 994 C LYS A 66 -6.808 5.440 -3.216 1.00 0.00 C ATOM 995 O LYS A 66 -7.174 6.557 -2.857 1.00 0.00 O ATOM 996 CB LYS A 66 -5.380 5.685 -5.303 1.00 0.00 C ATOM 997 CG LYS A 66 -5.837 4.687 -6.357 1.00 0.00 C ATOM 998 CD LYS A 66 -7.350 4.683 -6.609 1.00 0.00 C ATOM 999 CE LYS A 66 -7.647 3.833 -7.845 1.00 0.00 C ATOM 1000 NZ LYS A 66 -9.096 3.670 -8.071 1.00 0.00 N ATOM 0 H LYS A 66 -4.761 3.410 -4.607 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.799 5.886 -3.270 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.985 6.586 -5.404 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.351 5.966 -5.525 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.325 4.906 -7.294 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -5.529 3.687 -6.052 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -7.875 4.283 -5.742 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -7.710 5.701 -6.757 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -7.194 4.297 -8.721 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -7.186 2.852 -7.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -9.252 3.088 -8.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -9.526 3.204 -7.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -9.533 4.604 -8.208 1.00 0.00 H new ATOM 1014 N GLU A 67 -7.558 4.358 -3.075 1.00 0.00 N ATOM 1015 CA GLU A 67 -8.825 4.344 -2.353 1.00 0.00 C ATOM 1016 C GLU A 67 -8.575 4.553 -0.853 1.00 0.00 C ATOM 1017 O GLU A 67 -9.051 5.521 -0.257 1.00 0.00 O ATOM 1018 CB GLU A 67 -9.560 3.028 -2.644 1.00 0.00 C ATOM 1019 CG GLU A 67 -11.068 3.137 -2.376 1.00 0.00 C ATOM 1020 CD GLU A 67 -11.857 1.948 -2.935 1.00 0.00 C ATOM 1021 OE1 GLU A 67 -11.552 1.522 -4.069 1.00 0.00 O ATOM 1022 OE2 GLU A 67 -12.852 1.521 -2.304 1.00 0.00 O ATOM 0 H GLU A 67 -7.302 3.451 -3.464 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.461 5.163 -2.690 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.397 2.744 -3.684 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.139 2.234 -2.027 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.237 3.207 -1.302 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.446 4.059 -2.819 1.00 0.00 H new ATOM 1029 N TYR A 68 -7.788 3.668 -0.241 1.00 0.00 N ATOM 1030 CA TYR A 68 -7.512 3.612 1.194 1.00 0.00 C ATOM 1031 C TYR A 68 -6.298 4.470 1.554 1.00 0.00 C ATOM 1032 O TYR A 68 -5.710 4.288 2.618 1.00 0.00 O ATOM 1033 CB TYR A 68 -7.331 2.155 1.622 1.00 0.00 C ATOM 1034 CG TYR A 68 -8.550 1.283 1.379 1.00 0.00 C ATOM 1035 CD1 TYR A 68 -8.812 0.792 0.090 1.00 0.00 C ATOM 1036 CD2 TYR A 68 -9.442 0.991 2.427 1.00 0.00 C ATOM 1037 CE1 TYR A 68 -9.974 0.054 -0.178 1.00 0.00 C ATOM 1038 CE2 TYR A 68 -10.571 0.183 2.190 1.00 0.00 C ATOM 1039 CZ TYR A 68 -10.842 -0.284 0.881 1.00 0.00 C ATOM 1040 OH TYR A 68 -11.910 -1.086 0.624 1.00 0.00 O ATOM 0 H TYR A 68 -7.302 2.935 -0.758 1.00 0.00 H new ATOM 0 HA TYR A 68 -8.360 4.026 1.740 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.482 1.732 1.085 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -7.083 2.127 2.683 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -8.109 0.985 -0.706 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -9.261 1.387 3.415 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -10.203 -0.253 -1.188 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -11.229 -0.080 3.005 1.00 0.00 H new ATOM 0 HH TYR A 68 -12.416 -1.232 1.451 1.00 0.00 H new ATOM 1050 N LYS A 69 -5.873 5.380 0.672 1.00 0.00 N ATOM 1051 CA LYS A 69 -4.585 6.038 0.723 1.00 0.00 C ATOM 1052 C LYS A 69 -4.462 6.811 2.022 1.00 0.00 C ATOM 1053 O LYS A 69 -3.422 6.761 2.673 1.00 0.00 O ATOM 1054 CB LYS A 69 -4.463 6.876 -0.554 1.00 0.00 C ATOM 1055 CG LYS A 69 -3.323 7.876 -0.502 1.00 0.00 C ATOM 1056 CD LYS A 69 -3.041 8.461 -1.895 1.00 0.00 C ATOM 1057 CE LYS A 69 -1.828 9.394 -1.842 1.00 0.00 C ATOM 1058 NZ LYS A 69 -2.209 10.783 -1.546 1.00 0.00 N ATOM 0 H LYS A 69 -6.442 5.681 -0.119 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.744 5.344 0.737 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.317 6.211 -1.405 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.399 7.409 -0.723 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.571 8.680 0.191 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.425 7.390 -0.119 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.858 7.655 -2.606 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.914 9.008 -2.251 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.132 9.040 -1.081 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.302 9.359 -2.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.357 11.379 -1.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.853 11.131 -2.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.687 10.823 -0.623 1.00 0.00 H new ATOM 1072 N ASP A 70 -5.543 7.460 2.440 1.00 0.00 N ATOM 1073 CA ASP A 70 -5.597 8.048 3.769 1.00 0.00 C ATOM 1074 C ASP A 70 -5.917 6.978 4.819 1.00 0.00 C ATOM 1075 O ASP A 70 -5.165 6.802 5.770 1.00 0.00 O ATOM 1076 CB ASP A 70 -6.627 9.168 3.785 1.00 0.00 C ATOM 1077 CG ASP A 70 -6.556 9.896 5.120 1.00 0.00 C ATOM 1078 OD1 ASP A 70 -5.601 10.673 5.329 1.00 0.00 O ATOM 1079 OD2 ASP A 70 -7.434 9.655 5.977 1.00 0.00 O ATOM 0 H ASP A 70 -6.386 7.591 1.881 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.623 8.468 4.020 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.438 9.864 2.968 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.627 8.761 3.632 1.00 0.00 H new ATOM 1084 N LYS A 71 -7.002 6.216 4.634 1.00 0.00 N ATOM 1085 CA LYS A 71 -7.564 5.274 5.611 1.00 0.00 C ATOM 1086 C LYS A 71 -6.539 4.296 6.187 1.00 0.00 C ATOM 1087 O LYS A 71 -6.616 3.939 7.364 1.00 0.00 O ATOM 1088 CB LYS A 71 -8.708 4.525 4.926 1.00 0.00 C ATOM 1089 CG LYS A 71 -9.482 3.603 5.870 1.00 0.00 C ATOM 1090 CD LYS A 71 -10.728 3.059 5.165 1.00 0.00 C ATOM 1091 CE LYS A 71 -11.998 3.806 5.581 1.00 0.00 C ATOM 1092 NZ LYS A 71 -12.712 3.086 6.651 1.00 0.00 N ATOM 0 H LYS A 71 -7.534 6.240 3.764 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.920 5.843 6.470 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.397 5.249 4.491 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.305 3.935 4.103 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.845 2.778 6.189 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.771 4.148 6.768 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.598 3.140 4.086 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.840 1.999 5.394 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.738 4.808 5.923 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.653 3.924 4.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.568 3.614 6.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.979 2.139 6.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.093 2.996 7.482 1.00 0.00 H new ATOM 1106 N PHE A 72 -5.635 3.794 5.355 1.00 0.00 N ATOM 1107 CA PHE A 72 -4.623 2.814 5.711 1.00 0.00 C ATOM 1108 C PHE A 72 -3.233 3.447 5.700 1.00 0.00 C ATOM 1109 O PHE A 72 -2.350 2.964 6.415 1.00 0.00 O ATOM 1110 CB PHE A 72 -4.699 1.631 4.735 1.00 0.00 C ATOM 1111 CG PHE A 72 -5.943 0.751 4.783 1.00 0.00 C ATOM 1112 CD1 PHE A 72 -6.855 0.788 5.857 1.00 0.00 C ATOM 1113 CD2 PHE A 72 -6.194 -0.127 3.714 1.00 0.00 C ATOM 1114 CE1 PHE A 72 -7.986 -0.044 5.859 1.00 0.00 C ATOM 1115 CE2 PHE A 72 -7.294 -0.999 3.742 1.00 0.00 C ATOM 1116 CZ PHE A 72 -8.192 -0.962 4.819 1.00 0.00 C ATOM 0 H PHE A 72 -5.587 4.071 4.375 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.810 2.451 6.722 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -4.606 2.025 3.723 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.831 0.995 4.911 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -6.683 1.461 6.684 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.532 -0.131 2.860 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -8.701 0.023 6.666 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -7.449 -1.699 2.934 1.00 0.00 H new ATOM 0 HZ PHE A 72 -9.036 -1.636 4.847 1.00 0.00 H new ATOM 1126 N GLY A 73 -3.019 4.532 4.950 1.00 0.00 N ATOM 1127 CA GLY A 73 -1.743 5.226 4.907 1.00 0.00 C ATOM 1128 C GLY A 73 -1.660 6.244 6.036 1.00 0.00 C ATOM 1129 O GLY A 73 -1.724 7.448 5.789 1.00 0.00 O ATOM 0 H GLY A 73 -3.734 4.950 4.355 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.927 4.508 4.994 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.626 5.727 3.946 1.00 0.00 H new ATOM 1133 N LYS A 74 -1.532 5.756 7.273 1.00 0.00 N ATOM 1134 CA LYS A 74 -1.373 6.555 8.485 1.00 0.00 C ATOM 1135 C LYS A 74 -0.071 6.140 9.142 1.00 0.00 C ATOM 1136 O LYS A 74 0.267 4.958 9.136 1.00 0.00 O ATOM 1137 CB LYS A 74 -2.523 6.308 9.478 1.00 0.00 C ATOM 1138 CG LYS A 74 -3.884 6.912 9.112 1.00 0.00 C ATOM 1139 CD LYS A 74 -3.896 8.449 9.049 1.00 0.00 C ATOM 1140 CE LYS A 74 -3.691 8.943 7.614 1.00 0.00 C ATOM 1141 NZ LYS A 74 -3.992 10.373 7.459 1.00 0.00 N ATOM 0 H LYS A 74 -1.537 4.754 7.462 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.376 7.612 8.217 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.648 5.231 9.595 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.225 6.702 10.450 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.196 6.518 8.145 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.623 6.584 9.843 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.844 8.825 9.434 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.110 8.849 9.690 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.659 8.758 7.314 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.326 8.367 6.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.444 10.535 6.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.635 10.677 8.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.110 10.921 7.513 1.00 0.00 H new ATOM 1155 N SER A 75 0.619 7.093 9.757 1.00 0.00 N ATOM 1156 CA SER A 75 1.862 6.909 10.483 1.00 0.00 C ATOM 1157 C SER A 75 1.641 5.894 11.599 1.00 0.00 C ATOM 1158 O SER A 75 1.069 6.229 12.644 1.00 0.00 O ATOM 1159 CB SER A 75 2.333 8.250 11.055 1.00 0.00 C ATOM 1160 OG SER A 75 2.197 9.293 10.111 1.00 0.00 O ATOM 0 H SER A 75 0.307 8.064 9.761 1.00 0.00 H new ATOM 0 HA SER A 75 2.634 6.535 9.810 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.755 8.489 11.948 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.376 8.170 11.362 1.00 0.00 H new ATOM 0 HG SER A 75 2.504 10.135 10.507 1.00 0.00 H new ATOM 1166 N ASN A 76 2.031 4.644 11.358 1.00 0.00 N ATOM 1167 CA ASN A 76 1.836 3.570 12.321 1.00 0.00 C ATOM 1168 C ASN A 76 2.888 3.661 13.429 1.00 0.00 C ATOM 1169 O ASN A 76 3.819 4.470 13.370 1.00 0.00 O ATOM 1170 CB ASN A 76 1.860 2.198 11.622 1.00 0.00 C ATOM 1171 CG ASN A 76 1.329 1.106 12.538 1.00 0.00 C ATOM 1172 OD1 ASN A 76 2.064 0.252 13.032 1.00 0.00 O ATOM 1173 ND2 ASN A 76 0.064 1.179 12.895 1.00 0.00 N ATOM 0 H ASN A 76 2.488 4.351 10.494 1.00 0.00 H new ATOM 0 HA ASN A 76 0.854 3.680 12.781 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.259 2.239 10.714 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.879 1.959 11.319 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.310 0.526 13.584 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.542 1.889 12.483 1.00 0.00 H new ATOM 1180 N LYS A 77 2.743 2.822 14.453 1.00 0.00 N ATOM 1181 CA LYS A 77 3.727 2.649 15.506 1.00 0.00 C ATOM 1182 C LYS A 77 4.953 1.868 15.014 1.00 0.00 C ATOM 1183 O LYS A 77 6.067 2.200 15.427 1.00 0.00 O ATOM 1184 CB LYS A 77 3.064 1.919 16.691 1.00 0.00 C ATOM 1185 CG LYS A 77 3.405 2.588 18.024 1.00 0.00 C ATOM 1186 CD LYS A 77 2.460 3.759 18.342 1.00 0.00 C ATOM 1187 CE LYS A 77 2.885 4.312 19.701 1.00 0.00 C ATOM 1188 NZ LYS A 77 1.862 5.117 20.394 1.00 0.00 N ATOM 0 H LYS A 77 1.918 2.233 14.571 1.00 0.00 H new ATOM 0 HA LYS A 77 4.079 3.631 15.822 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.983 1.909 16.554 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.393 0.880 16.710 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.349 1.850 18.824 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.433 2.950 17.995 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.526 4.529 17.573 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.423 3.423 18.368 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.166 3.478 20.344 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.776 4.924 19.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.239 5.449 21.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.608 5.936 19.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.017 4.535 20.561 1.00 0.00 H new ATOM 1202 N ARG A 78 4.760 0.833 14.181 1.00 0.00 N ATOM 1203 CA ARG A 78 5.831 -0.096 13.813 1.00 0.00 C ATOM 1204 C ARG A 78 6.964 0.642 13.117 1.00 0.00 C ATOM 1205 O ARG A 78 6.724 1.516 12.281 1.00 0.00 O ATOM 1206 CB ARG A 78 5.313 -1.260 12.933 1.00 0.00 C ATOM 1207 CG ARG A 78 5.462 -2.640 13.602 1.00 0.00 C ATOM 1208 CD ARG A 78 6.898 -3.193 13.584 1.00 0.00 C ATOM 1209 NE ARG A 78 7.012 -4.373 14.460 1.00 0.00 N ATOM 1210 CZ ARG A 78 7.801 -5.450 14.322 1.00 0.00 C ATOM 1211 NH1 ARG A 78 8.553 -5.647 13.244 1.00 0.00 N ATOM 1212 NH2 ARG A 78 7.821 -6.346 15.299 1.00 0.00 N ATOM 0 H ARG A 78 3.861 0.621 13.748 1.00 0.00 H new ATOM 0 HA ARG A 78 6.213 -0.534 14.735 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.263 -1.089 12.698 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.855 -1.261 11.988 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.124 -2.570 14.636 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.804 -3.349 13.099 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.177 -3.462 12.565 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.594 -2.421 13.912 1.00 0.00 H new ATOM 0 HE ARG A 78 6.409 -4.371 15.283 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.543 -4.967 12.484 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.140 -6.479 13.177 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.246 -6.208 16.130 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.412 -7.174 15.220 1.00 0.00 H new ATOM 1226 N LYS A 79 8.193 0.235 13.429 1.00 0.00 N ATOM 1227 CA LYS A 79 9.362 0.557 12.624 1.00 0.00 C ATOM 1228 C LYS A 79 9.237 -0.098 11.241 1.00 0.00 C ATOM 1229 O LYS A 79 8.415 -1.000 11.059 1.00 0.00 O ATOM 1230 CB LYS A 79 10.618 0.090 13.383 1.00 0.00 C ATOM 1231 CG LYS A 79 11.827 1.009 13.173 1.00 0.00 C ATOM 1232 CD LYS A 79 11.643 2.348 13.907 1.00 0.00 C ATOM 1233 CE LYS A 79 12.830 3.290 13.706 1.00 0.00 C ATOM 1234 NZ LYS A 79 14.065 2.828 14.365 1.00 0.00 N ATOM 0 H LYS A 79 8.403 -0.330 14.252 1.00 0.00 H new ATOM 0 HA LYS A 79 9.440 1.632 12.460 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.392 0.035 14.448 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.876 -0.919 13.060 1.00 0.00 H new ATOM 0 HG2 LYS A 79 12.729 0.515 13.533 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.967 1.192 12.108 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.734 2.832 13.551 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.508 2.160 14.972 1.00 0.00 H new ATOM 0 HE2 LYS A 79 13.018 3.403 12.638 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.570 4.277 14.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 14.829 3.511 14.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.902 2.746 15.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 14.336 1.900 13.982 1.00 0.00 H new ATOM 1248 N GLY A 80 10.030 0.360 10.271 1.00 0.00 N ATOM 1249 CA GLY A 80 9.962 -0.013 8.859 1.00 0.00 C ATOM 1250 C GLY A 80 8.731 0.567 8.169 1.00 0.00 C ATOM 1251 O GLY A 80 8.860 1.185 7.118 1.00 0.00 O ATOM 0 H GLY A 80 10.773 1.034 10.459 1.00 0.00 H new ATOM 0 HA2 GLY A 80 10.860 0.335 8.349 1.00 0.00 H new ATOM 0 HA3 GLY A 80 9.947 -1.099 8.772 1.00 0.00 H new ATOM 1255 N PHE A 81 7.547 0.447 8.770 1.00 0.00 N ATOM 1256 CA PHE A 81 6.281 0.935 8.236 1.00 0.00 C ATOM 1257 C PHE A 81 6.391 2.392 7.782 1.00 0.00 C ATOM 1258 O PHE A 81 5.944 2.737 6.692 1.00 0.00 O ATOM 1259 CB PHE A 81 5.203 0.771 9.316 1.00 0.00 C ATOM 1260 CG PHE A 81 3.777 1.001 8.862 1.00 0.00 C ATOM 1261 CD1 PHE A 81 3.335 2.284 8.485 1.00 0.00 C ATOM 1262 CD2 PHE A 81 2.873 -0.076 8.854 1.00 0.00 C ATOM 1263 CE1 PHE A 81 2.003 2.474 8.095 1.00 0.00 C ATOM 1264 CE2 PHE A 81 1.538 0.123 8.473 1.00 0.00 C ATOM 1265 CZ PHE A 81 1.100 1.405 8.111 1.00 0.00 C ATOM 0 H PHE A 81 7.442 -0.010 9.676 1.00 0.00 H new ATOM 0 HA PHE A 81 6.010 0.353 7.355 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.276 -0.236 9.726 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.422 1.463 10.129 1.00 0.00 H new ATOM 0 HD1 PHE A 81 4.021 3.118 8.497 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.208 -1.061 9.143 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.671 3.452 7.780 1.00 0.00 H new ATOM 0 HE2 PHE A 81 0.849 -0.709 8.458 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.066 1.567 7.845 1.00 0.00 H new ATOM 1275 N ASN A 82 6.942 3.268 8.628 1.00 0.00 N ATOM 1276 CA ASN A 82 7.070 4.678 8.332 1.00 0.00 C ATOM 1277 C ASN A 82 8.033 4.982 7.190 1.00 0.00 C ATOM 1278 O ASN A 82 7.832 5.973 6.498 1.00 0.00 O ATOM 1279 CB ASN A 82 7.539 5.395 9.602 1.00 0.00 C ATOM 1280 CG ASN A 82 7.013 6.806 9.583 1.00 0.00 C ATOM 1281 OD1 ASN A 82 7.756 7.775 9.489 1.00 0.00 O ATOM 1282 ND2 ASN A 82 5.706 6.920 9.704 1.00 0.00 N ATOM 0 H ASN A 82 7.311 3.005 9.542 1.00 0.00 H new ATOM 0 HA ASN A 82 6.092 5.032 8.005 1.00 0.00 H new ATOM 0 HB2 ASN A 82 7.180 4.870 10.487 1.00 0.00 H new ATOM 0 HB3 ASN A 82 8.628 5.398 9.654 1.00 0.00 H new ATOM 0 HD21 ASN A 82 5.274 7.844 9.722 1.00 0.00 H new ATOM 0 HD22 ASN A 82 5.126 6.084 9.779 1.00 0.00 H new ATOM 1289 N GLU A 83 9.046 4.134 6.994 1.00 0.00 N ATOM 1290 CA GLU A 83 9.940 4.230 5.843 1.00 0.00 C ATOM 1291 C GLU A 83 9.130 3.893 4.591 1.00 0.00 C ATOM 1292 O GLU A 83 9.159 4.626 3.605 1.00 0.00 O ATOM 1293 CB GLU A 83 11.131 3.257 5.988 1.00 0.00 C ATOM 1294 CG GLU A 83 11.889 3.321 7.317 1.00 0.00 C ATOM 1295 CD GLU A 83 12.640 4.626 7.607 1.00 0.00 C ATOM 1296 OE1 GLU A 83 12.176 5.743 7.278 1.00 0.00 O ATOM 1297 OE2 GLU A 83 13.618 4.546 8.380 1.00 0.00 O ATOM 0 H GLU A 83 9.267 3.365 7.627 1.00 0.00 H new ATOM 0 HA GLU A 83 10.348 5.238 5.774 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.763 2.240 5.850 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.836 3.453 5.180 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.178 3.148 8.125 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.606 2.500 7.342 1.00 0.00 H new ATOM 1304 N GLY A 84 8.363 2.801 4.670 1.00 0.00 N ATOM 1305 CA GLY A 84 7.579 2.289 3.569 1.00 0.00 C ATOM 1306 C GLY A 84 6.467 3.242 3.138 1.00 0.00 C ATOM 1307 O GLY A 84 6.081 3.226 1.970 1.00 0.00 O ATOM 0 H GLY A 84 8.276 2.246 5.522 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.236 2.097 2.720 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.141 1.333 3.855 1.00 0.00 H new ATOM 1311 N LEU A 85 5.937 4.065 4.053 1.00 0.00 N ATOM 1312 CA LEU A 85 4.958 5.086 3.699 1.00 0.00 C ATOM 1313 C LEU A 85 5.601 6.172 2.846 1.00 0.00 C ATOM 1314 O LEU A 85 5.059 6.514 1.795 1.00 0.00 O ATOM 1315 CB LEU A 85 4.297 5.717 4.934 1.00 0.00 C ATOM 1316 CG LEU A 85 3.038 4.996 5.455 1.00 0.00 C ATOM 1317 CD1 LEU A 85 2.468 5.843 6.597 1.00 0.00 C ATOM 1318 CD2 LEU A 85 1.938 4.807 4.402 1.00 0.00 C ATOM 0 H LEU A 85 6.175 4.038 5.045 1.00 0.00 H new ATOM 0 HA LEU A 85 4.177 4.587 3.126 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.032 5.755 5.738 1.00 0.00 H new ATOM 0 HB3 LEU A 85 4.032 6.747 4.696 1.00 0.00 H new ATOM 0 HG LEU A 85 3.341 3.996 5.765 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.573 5.364 6.993 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.212 5.934 7.389 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.213 6.835 6.223 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.089 4.292 4.851 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.617 5.781 4.032 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.325 4.214 3.574 1.00 0.00 H new ATOM 1330 N TRP A 86 6.742 6.706 3.287 1.00 0.00 N ATOM 1331 CA TRP A 86 7.457 7.716 2.524 1.00 0.00 C ATOM 1332 C TRP A 86 7.845 7.156 1.155 1.00 0.00 C ATOM 1333 O TRP A 86 7.729 7.874 0.161 1.00 0.00 O ATOM 1334 CB TRP A 86 8.657 8.235 3.324 1.00 0.00 C ATOM 1335 CG TRP A 86 9.360 9.400 2.705 1.00 0.00 C ATOM 1336 CD1 TRP A 86 9.130 10.708 2.947 1.00 0.00 C ATOM 1337 CD2 TRP A 86 10.367 9.366 1.661 1.00 0.00 C ATOM 1338 NE1 TRP A 86 9.978 11.476 2.168 1.00 0.00 N ATOM 1339 CE2 TRP A 86 10.756 10.695 1.341 1.00 0.00 C ATOM 1340 CE3 TRP A 86 10.955 8.324 0.929 1.00 0.00 C ATOM 1341 CZ2 TRP A 86 11.714 10.973 0.354 1.00 0.00 C ATOM 1342 CZ3 TRP A 86 11.896 8.585 -0.084 1.00 0.00 C ATOM 1343 CH2 TRP A 86 12.272 9.908 -0.377 1.00 0.00 C ATOM 0 H TRP A 86 7.186 6.452 4.169 1.00 0.00 H new ATOM 0 HA TRP A 86 6.810 8.574 2.344 1.00 0.00 H new ATOM 0 HB2 TRP A 86 8.317 8.520 4.320 1.00 0.00 H new ATOM 0 HB3 TRP A 86 9.372 7.422 3.451 1.00 0.00 H new ATOM 0 HD1 TRP A 86 8.398 11.095 3.641 1.00 0.00 H new ATOM 0 HE1 TRP A 86 10.022 12.495 2.202 1.00 0.00 H new ATOM 0 HE3 TRP A 86 10.680 7.302 1.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 12.019 11.990 0.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 12.331 7.767 -0.638 1.00 0.00 H new ATOM 0 HH2 TRP A 86 12.987 10.106 -1.161 1.00 0.00 H new ATOM 1354 N GLU A 87 8.252 5.883 1.092 1.00 0.00 N ATOM 1355 CA GLU A 87 8.492 5.184 -0.160 1.00 0.00 C ATOM 1356 C GLU A 87 7.246 5.200 -1.031 1.00 0.00 C ATOM 1357 O GLU A 87 7.308 5.769 -2.114 1.00 0.00 O ATOM 1358 CB GLU A 87 8.989 3.745 0.062 1.00 0.00 C ATOM 1359 CG GLU A 87 10.509 3.676 -0.079 1.00 0.00 C ATOM 1360 CD GLU A 87 11.052 2.250 -0.074 1.00 0.00 C ATOM 1361 OE1 GLU A 87 10.865 1.512 0.921 1.00 0.00 O ATOM 1362 OE2 GLU A 87 11.675 1.893 -1.107 1.00 0.00 O ATOM 0 H GLU A 87 8.423 5.311 1.919 1.00 0.00 H new ATOM 0 HA GLU A 87 9.287 5.718 -0.680 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.694 3.401 1.053 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.520 3.077 -0.660 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.803 4.166 -1.007 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.968 4.235 0.736 1.00 0.00 H new ATOM 1369 N ILE A 88 6.132 4.593 -0.607 1.00 0.00 N ATOM 1370 CA ILE A 88 5.004 4.376 -1.513 1.00 0.00 C ATOM 1371 C ILE A 88 4.420 5.691 -2.037 1.00 0.00 C ATOM 1372 O ILE A 88 3.965 5.748 -3.180 1.00 0.00 O ATOM 1373 CB ILE A 88 3.943 3.468 -0.861 1.00 0.00 C ATOM 1374 CG1 ILE A 88 2.961 2.937 -1.919 1.00 0.00 C ATOM 1375 CG2 ILE A 88 3.148 4.151 0.263 1.00 0.00 C ATOM 1376 CD1 ILE A 88 2.476 1.527 -1.582 1.00 0.00 C ATOM 0 H ILE A 88 5.990 4.249 0.343 1.00 0.00 H new ATOM 0 HA ILE A 88 5.379 3.851 -2.392 1.00 0.00 H new ATOM 0 HB ILE A 88 4.500 2.648 -0.409 1.00 0.00 H new ATOM 0 HG12 ILE A 88 2.106 3.609 -1.991 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.446 2.932 -2.895 1.00 0.00 H new ATOM 0 HG21 ILE A 88 2.421 3.450 0.673 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.831 4.467 1.051 1.00 0.00 H new ATOM 0 HG23 ILE A 88 2.627 5.021 -0.137 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.784 1.186 -2.352 1.00 0.00 H new ATOM 0 HD12 ILE A 88 3.329 0.850 -1.535 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.968 1.538 -0.617 1.00 0.00 H new ATOM 1388 N GLU A 89 4.456 6.753 -1.230 1.00 0.00 N ATOM 1389 CA GLU A 89 4.054 8.078 -1.666 1.00 0.00 C ATOM 1390 C GLU A 89 5.002 8.585 -2.748 1.00 0.00 C ATOM 1391 O GLU A 89 4.566 8.969 -3.834 1.00 0.00 O ATOM 1392 CB GLU A 89 4.020 9.040 -0.471 1.00 0.00 C ATOM 1393 CG GLU A 89 2.707 8.856 0.291 1.00 0.00 C ATOM 1394 CD GLU A 89 2.503 9.818 1.461 1.00 0.00 C ATOM 1395 OE1 GLU A 89 2.989 10.975 1.418 1.00 0.00 O ATOM 1396 OE2 GLU A 89 1.788 9.411 2.404 1.00 0.00 O ATOM 0 H GLU A 89 4.765 6.712 -0.259 1.00 0.00 H new ATOM 0 HA GLU A 89 3.051 8.025 -2.089 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.866 8.848 0.189 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.112 10.070 -0.816 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.879 8.975 -0.407 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.662 7.834 0.667 1.00 0.00 H new ATOM 1403 N ASN A 90 6.306 8.584 -2.474 1.00 0.00 N ATOM 1404 CA ASN A 90 7.275 9.158 -3.401 1.00 0.00 C ATOM 1405 C ASN A 90 7.377 8.327 -4.678 1.00 0.00 C ATOM 1406 O ASN A 90 7.485 8.894 -5.765 1.00 0.00 O ATOM 1407 CB ASN A 90 8.642 9.325 -2.734 1.00 0.00 C ATOM 1408 CG ASN A 90 8.667 10.603 -1.915 1.00 0.00 C ATOM 1409 OD1 ASN A 90 8.962 11.666 -2.454 1.00 0.00 O ATOM 1410 ND2 ASN A 90 8.320 10.553 -0.645 1.00 0.00 N ATOM 0 H ASN A 90 6.712 8.195 -1.623 1.00 0.00 H new ATOM 0 HA ASN A 90 6.921 10.150 -3.682 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.850 8.468 -2.093 1.00 0.00 H new ATOM 0 HB3 ASN A 90 9.425 9.354 -3.492 1.00 0.00 H new ATOM 0 HD21 ASN A 90 8.293 11.408 -0.090 1.00 0.00 H new ATOM 0 HD22 ASN A 90 8.079 9.659 -0.217 1.00 0.00 H new