USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 674 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 46 CYS SG : rot -94:sc= -0.324 USER MOD Set 1.2: A 48 THR OG1 : rot 86:sc= 0.421 USER MOD Single : A 14 LYS NZ :NH3+ -126:sc= -0.071 (180deg=-0.788) USER MOD Single : A 18 HIS : no HD1:sc= -2.96! C(o=-3!,f=-8.5!) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 24 GLN : amide:sc= -0.0283 X(o=-0.028,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN :FLIP amide:sc= -3.16! C(o=-4!,f=-3.2!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -5.31! C(o=-5.3!,f=-8.6!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.416 K(o=-0.42,f=-3.1!) USER MOD Single : A 47 ASN : amide:sc= -0.268 X(o=-0.27,f=-0.28) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 163:sc= 0.175 (180deg=0.114) USER MOD Single : A 60 GLN : amide:sc= -0.914 K(o=-0.91,f=-2.5!) USER MOD Single : A 61 LYS NZ :NH3+ -115:sc= 0.176 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -154:sc= 1.2 (180deg=0.722) USER MOD Single : A 71 SER OG : rot -160:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= -0.158 USER MOD Single : A 75 GLN : amide:sc= -0.0864 K(o=-0.086,f=-1.5!) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc=-0.00274 X(o=-0.0027,f=0) USER MOD Single : A 80 TYR OH : rot 176:sc= -1.69 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -10.165 17.336 -9.310 1.00 0.00 N ATOM 67 CA LEU A 8 -9.343 16.170 -9.006 1.00 0.00 C ATOM 68 C LEU A 8 -9.481 15.773 -7.540 1.00 0.00 C ATOM 69 O LEU A 8 -9.702 14.605 -7.221 1.00 0.00 O ATOM 70 CB LEU A 8 -7.876 16.456 -9.333 1.00 0.00 C ATOM 71 CG LEU A 8 -7.036 15.251 -9.758 1.00 0.00 C ATOM 72 CD1 LEU A 8 -7.145 14.136 -8.730 1.00 0.00 C ATOM 73 CD2 LEU A 8 -7.467 14.757 -11.131 1.00 0.00 C ATOM 0 HA LEU A 8 -9.691 15.341 -9.622 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.840 17.198 -10.131 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.410 16.907 -8.457 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.993 15.562 -9.818 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.541 13.287 -9.049 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.786 14.494 -7.765 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.186 13.826 -8.638 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.858 13.899 -11.417 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.516 14.463 -11.099 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.336 15.555 -11.862 1.00 0.00 H new ATOM 85 N ALA A 9 -9.350 16.753 -6.652 1.00 0.00 N ATOM 86 CA ALA A 9 -9.464 16.507 -5.220 1.00 0.00 C ATOM 87 C ALA A 9 -10.683 15.647 -4.906 1.00 0.00 C ATOM 88 O ALA A 9 -10.553 14.530 -4.408 1.00 0.00 O ATOM 89 CB ALA A 9 -9.536 17.825 -4.462 1.00 0.00 C ATOM 0 H ALA A 9 -9.165 17.725 -6.899 1.00 0.00 H new ATOM 0 HA ALA A 9 -8.576 15.963 -4.898 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.621 17.626 -3.394 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.632 18.404 -4.653 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -10.406 18.390 -4.796 1.00 0.00 H new ATOM 95 N GLU A 10 -11.866 16.176 -5.201 1.00 0.00 N ATOM 96 CA GLU A 10 -13.109 15.455 -4.948 1.00 0.00 C ATOM 97 C GLU A 10 -12.926 13.958 -5.178 1.00 0.00 C ATOM 98 O GLU A 10 -13.250 13.141 -4.315 1.00 0.00 O ATOM 99 CB GLU A 10 -14.226 15.988 -5.848 1.00 0.00 C ATOM 100 CG GLU A 10 -14.286 17.505 -5.910 1.00 0.00 C ATOM 101 CD GLU A 10 -14.268 18.146 -4.536 1.00 0.00 C ATOM 102 OE1 GLU A 10 -14.771 17.519 -3.581 1.00 0.00 O ATOM 103 OE2 GLU A 10 -13.749 19.276 -4.416 1.00 0.00 O ATOM 0 H GLU A 10 -11.990 17.100 -5.615 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.385 15.614 -3.906 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.087 15.597 -6.856 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -15.183 15.609 -5.488 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.441 17.875 -6.490 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -15.191 17.808 -6.436 1.00 0.00 H new ATOM 110 N LEU A 11 -12.404 13.605 -6.348 1.00 0.00 N ATOM 111 CA LEU A 11 -12.178 12.206 -6.693 1.00 0.00 C ATOM 112 C LEU A 11 -11.202 11.555 -5.718 1.00 0.00 C ATOM 113 O LEU A 11 -11.439 10.449 -5.232 1.00 0.00 O ATOM 114 CB LEU A 11 -11.641 12.093 -8.121 1.00 0.00 C ATOM 115 CG LEU A 11 -12.631 12.421 -9.238 1.00 0.00 C ATOM 116 CD1 LEU A 11 -14.016 11.891 -8.897 1.00 0.00 C ATOM 117 CD2 LEU A 11 -12.679 13.922 -9.485 1.00 0.00 C ATOM 0 H LEU A 11 -12.130 14.268 -7.073 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.132 11.683 -6.627 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.782 12.756 -8.218 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.278 11.076 -8.272 1.00 0.00 H new ATOM 0 HG LEU A 11 -12.292 11.933 -10.152 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -14.707 12.134 -9.704 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.971 10.809 -8.771 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.363 12.350 -7.971 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -13.389 14.137 -10.284 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.993 14.431 -8.574 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.689 14.275 -9.775 1.00 0.00 H new ATOM 129 N PHE A 12 -10.105 12.250 -5.435 1.00 0.00 N ATOM 130 CA PHE A 12 -9.093 11.740 -4.516 1.00 0.00 C ATOM 131 C PHE A 12 -9.734 11.239 -3.225 1.00 0.00 C ATOM 132 O PHE A 12 -9.303 10.237 -2.655 1.00 0.00 O ATOM 133 CB PHE A 12 -8.066 12.830 -4.199 1.00 0.00 C ATOM 134 CG PHE A 12 -6.991 12.382 -3.251 1.00 0.00 C ATOM 135 CD1 PHE A 12 -5.872 11.712 -3.718 1.00 0.00 C ATOM 136 CD2 PHE A 12 -7.099 12.632 -1.893 1.00 0.00 C ATOM 137 CE1 PHE A 12 -4.880 11.299 -2.849 1.00 0.00 C ATOM 138 CE2 PHE A 12 -6.111 12.222 -1.018 1.00 0.00 C ATOM 139 CZ PHE A 12 -5.000 11.554 -1.496 1.00 0.00 C ATOM 0 H PHE A 12 -9.894 13.167 -5.828 1.00 0.00 H new ATOM 0 HA PHE A 12 -8.588 10.903 -4.999 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -7.604 13.164 -5.128 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -8.581 13.690 -3.772 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.774 11.510 -4.774 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.965 13.153 -1.513 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.013 10.778 -3.226 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.207 12.424 0.039 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.227 11.232 -0.814 1.00 0.00 H new ATOM 149 N GLU A 13 -10.765 11.944 -2.771 1.00 0.00 N ATOM 150 CA GLU A 13 -11.464 11.571 -1.546 1.00 0.00 C ATOM 151 C GLU A 13 -12.244 10.273 -1.739 1.00 0.00 C ATOM 152 O GLU A 13 -12.041 9.299 -1.014 1.00 0.00 O ATOM 153 CB GLU A 13 -12.414 12.690 -1.114 1.00 0.00 C ATOM 154 CG GLU A 13 -11.705 13.988 -0.764 1.00 0.00 C ATOM 155 CD GLU A 13 -11.226 14.021 0.675 1.00 0.00 C ATOM 156 OE1 GLU A 13 -11.916 13.446 1.542 1.00 0.00 O ATOM 157 OE2 GLU A 13 -10.163 14.623 0.932 1.00 0.00 O ATOM 0 H GLU A 13 -11.135 12.775 -3.232 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.719 11.415 -0.766 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.127 12.880 -1.916 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.988 12.355 -0.250 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.853 14.123 -1.430 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.381 14.825 -0.937 1.00 0.00 H new ATOM 164 N LYS A 14 -13.139 10.268 -2.721 1.00 0.00 N ATOM 165 CA LYS A 14 -13.950 9.092 -3.011 1.00 0.00 C ATOM 166 C LYS A 14 -13.071 7.868 -3.243 1.00 0.00 C ATOM 167 O LYS A 14 -13.207 6.855 -2.557 1.00 0.00 O ATOM 168 CB LYS A 14 -14.827 9.343 -4.240 1.00 0.00 C ATOM 169 CG LYS A 14 -16.137 10.042 -3.920 1.00 0.00 C ATOM 170 CD LYS A 14 -16.754 10.665 -5.161 1.00 0.00 C ATOM 171 CE LYS A 14 -16.138 12.022 -5.469 1.00 0.00 C ATOM 172 NZ LYS A 14 -16.385 13.003 -4.377 1.00 0.00 N ATOM 0 H LYS A 14 -13.321 11.066 -3.330 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.589 8.900 -2.149 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.269 9.945 -4.957 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -15.042 8.390 -4.723 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.835 9.327 -3.485 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.965 10.815 -3.171 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.613 9.999 -6.012 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -17.829 10.776 -5.018 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.064 11.908 -5.619 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -16.551 12.405 -6.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -16.826 13.858 -4.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -17.019 12.582 -3.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.482 13.256 -3.926 1.00 0.00 H new ATOM 186 N ALA A 15 -12.167 7.968 -4.213 1.00 0.00 N ATOM 187 CA ALA A 15 -11.263 6.871 -4.531 1.00 0.00 C ATOM 188 C ALA A 15 -10.736 6.207 -3.263 1.00 0.00 C ATOM 189 O ALA A 15 -10.850 4.994 -3.093 1.00 0.00 O ATOM 190 CB ALA A 15 -10.108 7.370 -5.387 1.00 0.00 C ATOM 0 H ALA A 15 -12.042 8.798 -4.792 1.00 0.00 H new ATOM 0 HA ALA A 15 -11.823 6.124 -5.094 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -9.440 6.540 -5.617 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.497 7.790 -6.314 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.558 8.138 -4.844 1.00 0.00 H new ATOM 196 N ALA A 16 -10.159 7.012 -2.377 1.00 0.00 N ATOM 197 CA ALA A 16 -9.616 6.502 -1.123 1.00 0.00 C ATOM 198 C ALA A 16 -10.587 5.534 -0.457 1.00 0.00 C ATOM 199 O ALA A 16 -10.198 4.452 -0.019 1.00 0.00 O ATOM 200 CB ALA A 16 -9.287 7.653 -0.184 1.00 0.00 C ATOM 0 H ALA A 16 -10.055 8.019 -2.504 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.699 5.957 -1.348 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.883 7.258 0.748 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.549 8.305 -0.652 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.193 8.222 0.026 1.00 0.00 H new ATOM 206 N ALA A 17 -11.854 5.931 -0.384 1.00 0.00 N ATOM 207 CA ALA A 17 -12.881 5.097 0.228 1.00 0.00 C ATOM 208 C ALA A 17 -13.036 3.778 -0.521 1.00 0.00 C ATOM 209 O ALA A 17 -13.414 2.762 0.062 1.00 0.00 O ATOM 210 CB ALA A 17 -14.208 5.841 0.271 1.00 0.00 C ATOM 0 H ALA A 17 -12.193 6.824 -0.741 1.00 0.00 H new ATOM 0 HA ALA A 17 -12.570 4.871 1.248 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -14.966 5.207 0.730 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -14.095 6.753 0.857 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.515 6.097 -0.743 1.00 0.00 H new ATOM 216 N HIS A 18 -12.741 3.801 -1.817 1.00 0.00 N ATOM 217 CA HIS A 18 -12.848 2.605 -2.646 1.00 0.00 C ATOM 218 C HIS A 18 -11.659 1.677 -2.416 1.00 0.00 C ATOM 219 O HIS A 18 -11.776 0.457 -2.548 1.00 0.00 O ATOM 220 CB HIS A 18 -12.931 2.990 -4.124 1.00 0.00 C ATOM 221 CG HIS A 18 -13.576 1.944 -4.980 1.00 0.00 C ATOM 222 ND1 HIS A 18 -14.635 1.171 -4.553 1.00 0.00 N ATOM 223 CD2 HIS A 18 -13.307 1.545 -6.245 1.00 0.00 C ATOM 224 CE1 HIS A 18 -14.989 0.341 -5.519 1.00 0.00 C ATOM 225 NE2 HIS A 18 -14.198 0.548 -6.556 1.00 0.00 N ATOM 0 H HIS A 18 -12.426 4.633 -2.316 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.759 2.077 -2.364 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.491 3.920 -4.218 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -11.926 3.184 -4.497 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -12.535 1.938 -6.890 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -15.789 -0.383 -5.469 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -14.242 0.048 -7.444 1.00 0.00 H new ATOM 234 N LEU A 19 -10.516 2.260 -2.073 1.00 0.00 N ATOM 235 CA LEU A 19 -9.306 1.485 -1.825 1.00 0.00 C ATOM 236 C LEU A 19 -9.604 0.275 -0.946 1.00 0.00 C ATOM 237 O LEU A 19 -9.190 -0.843 -1.252 1.00 0.00 O ATOM 238 CB LEU A 19 -8.242 2.362 -1.161 1.00 0.00 C ATOM 239 CG LEU A 19 -6.788 2.003 -1.470 1.00 0.00 C ATOM 240 CD1 LEU A 19 -5.853 3.100 -0.984 1.00 0.00 C ATOM 241 CD2 LEU A 19 -6.422 0.669 -0.836 1.00 0.00 C ATOM 0 H LEU A 19 -10.402 3.267 -1.960 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.929 1.130 -2.784 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.412 3.396 -1.462 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.385 2.317 -0.081 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.678 1.912 -2.551 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.823 2.827 -1.212 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.100 4.037 -1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.966 3.223 0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.384 0.429 -1.066 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.549 0.733 0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.071 -0.112 -1.232 1.00 0.00 H new ATOM 253 N GLN A 20 -10.327 0.506 0.145 1.00 0.00 N ATOM 254 CA GLN A 20 -10.683 -0.567 1.066 1.00 0.00 C ATOM 255 C GLN A 20 -11.435 -1.679 0.343 1.00 0.00 C ATOM 256 O GLN A 20 -11.355 -2.846 0.724 1.00 0.00 O ATOM 257 CB GLN A 20 -11.534 -0.021 2.214 1.00 0.00 C ATOM 258 CG GLN A 20 -10.826 1.033 3.050 1.00 0.00 C ATOM 259 CD GLN A 20 -10.005 0.431 4.173 1.00 0.00 C ATOM 260 OE1 GLN A 20 -10.515 -0.343 4.985 1.00 0.00 O ATOM 261 NE2 GLN A 20 -8.726 0.783 4.226 1.00 0.00 N ATOM 0 H GLN A 20 -10.677 1.426 0.413 1.00 0.00 H new ATOM 0 HA GLN A 20 -9.761 -0.983 1.473 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -12.449 0.407 1.805 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -11.829 -0.847 2.861 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.176 1.625 2.406 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.565 1.715 3.470 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -8.345 1.427 3.533 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.124 0.409 4.960 1.00 0.00 H new ATOM 270 N GLY A 21 -12.167 -1.309 -0.703 1.00 0.00 N ATOM 271 CA GLY A 21 -12.924 -2.287 -1.463 1.00 0.00 C ATOM 272 C GLY A 21 -12.097 -2.941 -2.552 1.00 0.00 C ATOM 273 O GLY A 21 -12.498 -3.957 -3.121 1.00 0.00 O ATOM 0 H GLY A 21 -12.250 -0.349 -1.038 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.302 -3.054 -0.787 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.791 -1.802 -1.911 1.00 0.00 H new ATOM 277 N LEU A 22 -10.940 -2.358 -2.844 1.00 0.00 N ATOM 278 CA LEU A 22 -10.054 -2.890 -3.874 1.00 0.00 C ATOM 279 C LEU A 22 -8.828 -3.550 -3.251 1.00 0.00 C ATOM 280 O LEU A 22 -7.821 -3.771 -3.923 1.00 0.00 O ATOM 281 CB LEU A 22 -9.618 -1.774 -4.825 1.00 0.00 C ATOM 282 CG LEU A 22 -10.730 -0.865 -5.348 1.00 0.00 C ATOM 283 CD1 LEU A 22 -10.157 0.214 -6.253 1.00 0.00 C ATOM 284 CD2 LEU A 22 -11.782 -1.680 -6.087 1.00 0.00 C ATOM 0 H LEU A 22 -10.593 -1.517 -2.383 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.604 -3.645 -4.436 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.881 -1.155 -4.313 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.115 -2.228 -5.679 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.207 -0.380 -4.496 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.964 0.851 -6.615 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.442 0.817 -5.693 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.654 -0.251 -7.100 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -12.566 -1.017 -6.452 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.319 -2.193 -6.930 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -12.216 -2.415 -5.409 1.00 0.00 H new ATOM 296 N ILE A 23 -8.923 -3.865 -1.963 1.00 0.00 N ATOM 297 CA ILE A 23 -7.823 -4.503 -1.250 1.00 0.00 C ATOM 298 C ILE A 23 -7.580 -5.917 -1.767 1.00 0.00 C ATOM 299 O ILE A 23 -6.453 -6.410 -1.747 1.00 0.00 O ATOM 300 CB ILE A 23 -8.093 -4.562 0.265 1.00 0.00 C ATOM 301 CG1 ILE A 23 -8.406 -3.164 0.804 1.00 0.00 C ATOM 302 CG2 ILE A 23 -6.899 -5.161 0.992 1.00 0.00 C ATOM 303 CD1 ILE A 23 -7.209 -2.240 0.817 1.00 0.00 C ATOM 0 H ILE A 23 -9.750 -3.689 -1.392 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.936 -3.895 -1.429 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.959 -5.201 0.441 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.193 -2.717 0.197 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.797 -3.253 1.818 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.105 -5.196 2.062 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.718 -6.171 0.624 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.017 -4.546 0.812 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.504 -1.268 1.211 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.428 -2.665 1.448 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.831 -2.121 -0.198 1.00 0.00 H new ATOM 315 N GLN A 24 -8.645 -6.562 -2.232 1.00 0.00 N ATOM 316 CA GLN A 24 -8.546 -7.920 -2.755 1.00 0.00 C ATOM 317 C GLN A 24 -8.043 -7.913 -4.195 1.00 0.00 C ATOM 318 O GLN A 24 -7.568 -8.928 -4.703 1.00 0.00 O ATOM 319 CB GLN A 24 -9.906 -8.618 -2.681 1.00 0.00 C ATOM 320 CG GLN A 24 -10.601 -8.454 -1.339 1.00 0.00 C ATOM 321 CD GLN A 24 -12.037 -8.939 -1.362 1.00 0.00 C ATOM 322 OE1 GLN A 24 -12.400 -9.874 -0.648 1.00 0.00 O ATOM 323 NE2 GLN A 24 -12.863 -8.305 -2.186 1.00 0.00 N ATOM 0 H GLN A 24 -9.585 -6.167 -2.257 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.830 -8.468 -2.142 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.551 -8.223 -3.466 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.771 -9.680 -2.884 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.048 -9.005 -0.578 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.581 -7.403 -1.050 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -12.519 -7.535 -2.760 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -13.841 -8.588 -2.245 1.00 0.00 H new ATOM 332 N VAL A 25 -8.152 -6.760 -4.849 1.00 0.00 N ATOM 333 CA VAL A 25 -7.707 -6.620 -6.230 1.00 0.00 C ATOM 334 C VAL A 25 -6.389 -5.859 -6.309 1.00 0.00 C ATOM 335 O VAL A 25 -5.711 -5.876 -7.336 1.00 0.00 O ATOM 336 CB VAL A 25 -8.760 -5.892 -7.087 1.00 0.00 C ATOM 337 CG1 VAL A 25 -10.079 -6.649 -7.071 1.00 0.00 C ATOM 338 CG2 VAL A 25 -8.949 -4.464 -6.599 1.00 0.00 C ATOM 0 H VAL A 25 -8.545 -5.910 -4.444 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.564 -7.628 -6.620 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.403 -5.856 -8.116 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.810 -6.119 -7.682 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.928 -7.651 -7.473 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.445 -6.720 -6.047 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.696 -3.965 -7.216 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.283 -4.475 -5.562 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.003 -3.927 -6.669 1.00 0.00 H new ATOM 348 N ALA A 26 -6.030 -5.193 -5.216 1.00 0.00 N ATOM 349 CA ALA A 26 -4.791 -4.427 -5.161 1.00 0.00 C ATOM 350 C ALA A 26 -3.640 -5.283 -4.644 1.00 0.00 C ATOM 351 O ALA A 26 -3.713 -5.844 -3.551 1.00 0.00 O ATOM 352 CB ALA A 26 -4.971 -3.196 -4.284 1.00 0.00 C ATOM 0 H ALA A 26 -6.580 -5.169 -4.357 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.545 -4.106 -6.173 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.038 -2.633 -4.251 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.760 -2.567 -4.697 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.244 -3.505 -3.275 1.00 0.00 H new ATOM 358 N SER A 27 -2.578 -5.380 -5.438 1.00 0.00 N ATOM 359 CA SER A 27 -1.412 -6.172 -5.062 1.00 0.00 C ATOM 360 C SER A 27 -0.620 -5.482 -3.956 1.00 0.00 C ATOM 361 O SER A 27 -0.683 -4.262 -3.801 1.00 0.00 O ATOM 362 CB SER A 27 -0.515 -6.405 -6.279 1.00 0.00 C ATOM 363 OG SER A 27 0.186 -7.631 -6.168 1.00 0.00 O ATOM 0 H SER A 27 -2.501 -4.920 -6.345 1.00 0.00 H new ATOM 0 HA SER A 27 -1.762 -7.134 -4.687 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.120 -6.409 -7.185 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.195 -5.584 -6.374 1.00 0.00 H new ATOM 0 HG SER A 27 0.751 -7.758 -6.959 1.00 0.00 H new ATOM 369 N ARG A 28 0.125 -6.271 -3.190 1.00 0.00 N ATOM 370 CA ARG A 28 0.929 -5.738 -2.097 1.00 0.00 C ATOM 371 C ARG A 28 1.624 -4.445 -2.514 1.00 0.00 C ATOM 372 O ARG A 28 1.852 -3.559 -1.691 1.00 0.00 O ATOM 373 CB ARG A 28 1.968 -6.767 -1.650 1.00 0.00 C ATOM 374 CG ARG A 28 3.122 -6.931 -2.627 1.00 0.00 C ATOM 375 CD ARG A 28 2.780 -7.917 -3.733 1.00 0.00 C ATOM 376 NE ARG A 28 2.712 -9.290 -3.240 1.00 0.00 N ATOM 377 CZ ARG A 28 2.727 -10.356 -4.031 1.00 0.00 C ATOM 378 NH1 ARG A 28 2.807 -10.209 -5.347 1.00 0.00 N ATOM 379 NH2 ARG A 28 2.661 -11.574 -3.508 1.00 0.00 N ATOM 0 H ARG A 28 0.189 -7.282 -3.306 1.00 0.00 H new ATOM 0 HA ARG A 28 0.263 -5.520 -1.262 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.365 -6.472 -0.678 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.478 -7.731 -1.515 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.370 -5.964 -3.064 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.007 -7.275 -2.092 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.824 -7.644 -4.179 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.530 -7.852 -4.522 1.00 0.00 H new ATOM 0 HE ARG A 28 2.650 -9.438 -2.233 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.857 -9.275 -5.754 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.818 -11.030 -5.952 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.599 -11.692 -2.497 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.673 -12.392 -4.117 1.00 0.00 H new ATOM 393 N GLU A 29 1.957 -4.346 -3.797 1.00 0.00 N ATOM 394 CA GLU A 29 2.627 -3.162 -4.322 1.00 0.00 C ATOM 395 C GLU A 29 1.645 -2.004 -4.476 1.00 0.00 C ATOM 396 O GLU A 29 1.937 -0.874 -4.085 1.00 0.00 O ATOM 397 CB GLU A 29 3.280 -3.474 -5.670 1.00 0.00 C ATOM 398 CG GLU A 29 4.436 -4.455 -5.574 1.00 0.00 C ATOM 399 CD GLU A 29 4.711 -5.163 -6.887 1.00 0.00 C ATOM 400 OE1 GLU A 29 3.737 -5.531 -7.577 1.00 0.00 O ATOM 401 OE2 GLU A 29 5.899 -5.350 -7.224 1.00 0.00 O ATOM 0 H GLU A 29 1.774 -5.070 -4.491 1.00 0.00 H new ATOM 0 HA GLU A 29 3.400 -2.868 -3.611 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.526 -3.879 -6.344 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.639 -2.545 -6.114 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.333 -3.923 -5.257 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.216 -5.196 -4.805 1.00 0.00 H new ATOM 408 N GLN A 30 0.482 -2.295 -5.049 1.00 0.00 N ATOM 409 CA GLN A 30 -0.543 -1.278 -5.255 1.00 0.00 C ATOM 410 C GLN A 30 -0.879 -0.570 -3.947 1.00 0.00 C ATOM 411 O GLN A 30 -0.971 0.657 -3.898 1.00 0.00 O ATOM 412 CB GLN A 30 -1.805 -1.908 -5.847 1.00 0.00 C ATOM 413 CG GLN A 30 -1.655 -2.315 -7.304 1.00 0.00 C ATOM 414 CD GLN A 30 -1.908 -1.166 -8.260 1.00 0.00 C ATOM 415 OE1 GLN A 30 -2.798 -1.381 -9.222 1.00 0.00 O flip ATOM 416 NE2 GLN A 30 -1.311 -0.097 -8.136 1.00 0.00 N flip ATOM 0 H GLN A 30 0.226 -3.226 -5.379 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.151 -0.540 -5.955 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -2.073 -2.786 -5.259 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -2.630 -1.201 -5.759 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.650 -2.704 -7.467 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -2.350 -3.126 -7.524 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.635 0.025 -7.382 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.492 0.667 -8.787 1.00 0.00 H new ATOM 425 N LEU A 31 -1.062 -1.351 -2.888 1.00 0.00 N ATOM 426 CA LEU A 31 -1.389 -0.799 -1.578 1.00 0.00 C ATOM 427 C LEU A 31 -0.425 0.321 -1.203 1.00 0.00 C ATOM 428 O LEU A 31 -0.838 1.371 -0.709 1.00 0.00 O ATOM 429 CB LEU A 31 -1.350 -1.899 -0.515 1.00 0.00 C ATOM 430 CG LEU A 31 -2.571 -2.817 -0.453 1.00 0.00 C ATOM 431 CD1 LEU A 31 -3.831 -2.010 -0.181 1.00 0.00 C ATOM 432 CD2 LEU A 31 -2.710 -3.607 -1.745 1.00 0.00 C ATOM 0 H LEU A 31 -0.990 -2.368 -2.911 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.396 -0.385 -1.627 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.467 -2.514 -0.689 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.224 -1.429 0.460 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.431 -3.522 0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.690 -2.680 -0.140 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.731 -1.489 0.771 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.976 -1.282 -0.979 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.584 -4.255 -1.683 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.827 -2.918 -2.582 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.818 -4.215 -1.898 1.00 0.00 H new ATOM 444 N LEU A 32 0.862 0.092 -1.442 1.00 0.00 N ATOM 445 CA LEU A 32 1.886 1.083 -1.132 1.00 0.00 C ATOM 446 C LEU A 32 1.839 2.243 -2.121 1.00 0.00 C ATOM 447 O LEU A 32 1.916 3.408 -1.731 1.00 0.00 O ATOM 448 CB LEU A 32 3.272 0.437 -1.152 1.00 0.00 C ATOM 449 CG LEU A 32 4.344 1.120 -0.302 1.00 0.00 C ATOM 450 CD1 LEU A 32 4.380 0.520 1.095 1.00 0.00 C ATOM 451 CD2 LEU A 32 5.707 1.005 -0.969 1.00 0.00 C ATOM 0 H LEU A 32 1.221 -0.771 -1.850 1.00 0.00 H new ATOM 0 HA LEU A 32 1.688 1.473 -0.134 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.174 -0.596 -0.817 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.621 0.405 -2.184 1.00 0.00 H new ATOM 0 HG LEU A 32 4.092 2.177 -0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.149 1.019 1.685 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.410 0.655 1.574 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.607 -0.544 1.028 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.458 1.497 -0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.967 -0.047 -1.087 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.674 1.483 -1.948 1.00 0.00 H new ATOM 463 N TYR A 33 1.710 1.916 -3.402 1.00 0.00 N ATOM 464 CA TYR A 33 1.652 2.931 -4.448 1.00 0.00 C ATOM 465 C TYR A 33 0.673 4.040 -4.077 1.00 0.00 C ATOM 466 O TYR A 33 1.018 5.223 -4.101 1.00 0.00 O ATOM 467 CB TYR A 33 1.243 2.298 -5.779 1.00 0.00 C ATOM 468 CG TYR A 33 1.501 3.186 -6.976 1.00 0.00 C ATOM 469 CD1 TYR A 33 2.797 3.464 -7.393 1.00 0.00 C ATOM 470 CD2 TYR A 33 0.449 3.747 -7.688 1.00 0.00 C ATOM 471 CE1 TYR A 33 3.037 4.275 -8.485 1.00 0.00 C ATOM 472 CE2 TYR A 33 0.679 4.558 -8.783 1.00 0.00 C ATOM 473 CZ TYR A 33 1.975 4.819 -9.177 1.00 0.00 C ATOM 474 OH TYR A 33 2.209 5.628 -10.265 1.00 0.00 O ATOM 0 H TYR A 33 1.644 0.956 -3.741 1.00 0.00 H new ATOM 0 HA TYR A 33 2.645 3.368 -4.551 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.785 1.361 -5.908 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.182 2.050 -5.743 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.631 3.039 -6.854 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.567 3.546 -7.381 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.051 4.482 -8.795 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.151 4.985 -9.327 1.00 0.00 H new ATOM 0 HH TYR A 33 1.354 5.928 -10.639 1.00 0.00 H new ATOM 484 N LEU A 34 -0.550 3.651 -3.734 1.00 0.00 N ATOM 485 CA LEU A 34 -1.581 4.611 -3.357 1.00 0.00 C ATOM 486 C LEU A 34 -1.176 5.381 -2.103 1.00 0.00 C ATOM 487 O LEU A 34 -1.646 6.494 -1.868 1.00 0.00 O ATOM 488 CB LEU A 34 -2.912 3.894 -3.121 1.00 0.00 C ATOM 489 CG LEU A 34 -3.381 2.964 -4.240 1.00 0.00 C ATOM 490 CD1 LEU A 34 -4.760 2.406 -3.928 1.00 0.00 C ATOM 491 CD2 LEU A 34 -3.389 3.697 -5.574 1.00 0.00 C ATOM 0 H LEU A 34 -0.852 2.677 -3.709 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.698 5.321 -4.176 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.831 3.312 -2.203 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.683 4.647 -2.954 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.682 2.130 -4.310 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.077 1.746 -4.736 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.723 1.844 -2.995 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.471 3.226 -3.830 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.725 3.020 -6.359 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.065 4.550 -5.516 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.382 4.047 -5.803 1.00 0.00 H new ATOM 503 N TYR A 35 -0.301 4.781 -1.304 1.00 0.00 N ATOM 504 CA TYR A 35 0.167 5.410 -0.075 1.00 0.00 C ATOM 505 C TYR A 35 1.249 6.445 -0.370 1.00 0.00 C ATOM 506 O TYR A 35 1.217 7.558 0.154 1.00 0.00 O ATOM 507 CB TYR A 35 0.707 4.353 0.890 1.00 0.00 C ATOM 508 CG TYR A 35 1.594 4.920 1.975 1.00 0.00 C ATOM 509 CD1 TYR A 35 2.907 5.286 1.707 1.00 0.00 C ATOM 510 CD2 TYR A 35 1.119 5.090 3.270 1.00 0.00 C ATOM 511 CE1 TYR A 35 3.721 5.804 2.695 1.00 0.00 C ATOM 512 CE2 TYR A 35 1.925 5.608 4.265 1.00 0.00 C ATOM 513 CZ TYR A 35 3.225 5.964 3.972 1.00 0.00 C ATOM 514 OH TYR A 35 4.032 6.479 4.961 1.00 0.00 O ATOM 0 H TYR A 35 0.098 3.860 -1.485 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.679 5.917 0.388 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -0.132 3.833 1.353 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.269 3.610 0.324 1.00 0.00 H new ATOM 0 HD1 TYR A 35 3.298 5.163 0.708 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.102 4.812 3.503 1.00 0.00 H new ATOM 0 HE1 TYR A 35 4.740 6.082 2.469 1.00 0.00 H new ATOM 0 HE2 TYR A 35 1.540 5.733 5.266 1.00 0.00 H new ATOM 0 HH TYR A 35 3.530 6.528 5.801 1.00 0.00 H new ATOM 524 N ALA A 36 2.204 6.069 -1.214 1.00 0.00 N ATOM 525 CA ALA A 36 3.294 6.964 -1.582 1.00 0.00 C ATOM 526 C ALA A 36 2.767 8.342 -1.964 1.00 0.00 C ATOM 527 O ALA A 36 3.060 9.336 -1.299 1.00 0.00 O ATOM 528 CB ALA A 36 4.102 6.369 -2.726 1.00 0.00 C ATOM 0 H ALA A 36 2.245 5.151 -1.656 1.00 0.00 H new ATOM 0 HA ALA A 36 3.944 7.081 -0.715 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.913 7.048 -2.991 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.518 5.410 -2.417 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.455 6.222 -3.591 1.00 0.00 H new ATOM 534 N ARG A 37 1.988 8.395 -3.040 1.00 0.00 N ATOM 535 CA ARG A 37 1.422 9.653 -3.512 1.00 0.00 C ATOM 536 C ARG A 37 0.450 10.230 -2.487 1.00 0.00 C ATOM 537 O ARG A 37 0.507 11.416 -2.161 1.00 0.00 O ATOM 538 CB ARG A 37 0.707 9.446 -4.848 1.00 0.00 C ATOM 539 CG ARG A 37 1.653 9.238 -6.019 1.00 0.00 C ATOM 540 CD ARG A 37 0.914 8.736 -7.250 1.00 0.00 C ATOM 541 NE ARG A 37 -0.074 7.713 -6.916 1.00 0.00 N ATOM 542 CZ ARG A 37 0.244 6.496 -6.489 1.00 0.00 C ATOM 543 NH1 ARG A 37 1.517 6.153 -6.343 1.00 0.00 N ATOM 544 NH2 ARG A 37 -0.711 5.621 -6.205 1.00 0.00 N ATOM 0 H ARG A 37 1.735 7.582 -3.601 1.00 0.00 H new ATOM 0 HA ARG A 37 2.239 10.361 -3.651 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.047 8.582 -4.767 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.076 10.311 -5.051 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.156 10.176 -6.253 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.427 8.522 -5.741 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.417 9.573 -7.741 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.631 8.328 -7.962 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.062 7.946 -7.016 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.254 6.824 -6.559 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.759 5.218 -6.015 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.691 5.882 -6.314 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.466 4.687 -5.877 1.00 0.00 H new ATOM 558 N TYR A 38 -0.441 9.384 -1.983 1.00 0.00 N ATOM 559 CA TYR A 38 -1.428 9.810 -0.997 1.00 0.00 C ATOM 560 C TYR A 38 -0.769 10.610 0.123 1.00 0.00 C ATOM 561 O TYR A 38 -1.310 11.613 0.588 1.00 0.00 O ATOM 562 CB TYR A 38 -2.154 8.597 -0.414 1.00 0.00 C ATOM 563 CG TYR A 38 -2.962 8.913 0.825 1.00 0.00 C ATOM 564 CD1 TYR A 38 -2.336 9.256 2.017 1.00 0.00 C ATOM 565 CD2 TYR A 38 -4.350 8.867 0.804 1.00 0.00 C ATOM 566 CE1 TYR A 38 -3.069 9.544 3.152 1.00 0.00 C ATOM 567 CE2 TYR A 38 -5.092 9.155 1.933 1.00 0.00 C ATOM 568 CZ TYR A 38 -4.447 9.493 3.104 1.00 0.00 C ATOM 569 OH TYR A 38 -5.182 9.780 4.232 1.00 0.00 O ATOM 0 H TYR A 38 -0.501 8.399 -2.241 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.152 10.451 -1.499 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.816 8.181 -1.173 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.421 7.827 -0.173 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.258 9.298 2.057 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.858 8.601 -0.111 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.567 9.807 4.071 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.171 9.116 1.899 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.137 9.700 4.029 1.00 0.00 H new ATOM 579 N LYS A 39 0.405 10.158 0.551 1.00 0.00 N ATOM 580 CA LYS A 39 1.142 10.830 1.615 1.00 0.00 C ATOM 581 C LYS A 39 1.811 12.099 1.096 1.00 0.00 C ATOM 582 O LYS A 39 2.023 13.051 1.846 1.00 0.00 O ATOM 583 CB LYS A 39 2.195 9.890 2.206 1.00 0.00 C ATOM 584 CG LYS A 39 1.677 9.042 3.354 1.00 0.00 C ATOM 585 CD LYS A 39 1.423 9.879 4.596 1.00 0.00 C ATOM 586 CE LYS A 39 2.717 10.194 5.331 1.00 0.00 C ATOM 587 NZ LYS A 39 2.483 10.462 6.777 1.00 0.00 N ATOM 0 H LYS A 39 0.867 9.329 0.177 1.00 0.00 H new ATOM 0 HA LYS A 39 0.433 11.108 2.395 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.566 9.233 1.419 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.042 10.480 2.555 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.754 8.546 3.053 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.399 8.259 3.584 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.928 10.808 4.315 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.745 9.346 5.263 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.408 9.358 5.224 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.193 11.061 4.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.389 10.672 7.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.844 11.276 6.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.053 9.625 7.220 1.00 0.00 H new ATOM 601 N GLN A 40 2.141 12.104 -0.192 1.00 0.00 N ATOM 602 CA GLN A 40 2.785 13.257 -0.810 1.00 0.00 C ATOM 603 C GLN A 40 1.794 14.400 -0.996 1.00 0.00 C ATOM 604 O GLN A 40 2.154 15.572 -0.888 1.00 0.00 O ATOM 605 CB GLN A 40 3.391 12.866 -2.160 1.00 0.00 C ATOM 606 CG GLN A 40 4.132 14.002 -2.846 1.00 0.00 C ATOM 607 CD GLN A 40 5.390 14.410 -2.104 1.00 0.00 C ATOM 608 OE1 GLN A 40 5.952 13.629 -1.335 1.00 0.00 O ATOM 609 NE2 GLN A 40 5.840 15.638 -2.332 1.00 0.00 N ATOM 0 H GLN A 40 1.973 11.323 -0.827 1.00 0.00 H new ATOM 0 HA GLN A 40 3.581 13.596 -0.147 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.077 12.032 -2.013 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.596 12.513 -2.817 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.395 13.700 -3.860 1.00 0.00 H new ATOM 0 HG3 GLN A 40 3.470 14.863 -2.932 1.00 0.00 H new ATOM 0 HE21 GLN A 40 5.343 16.252 -2.977 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.683 15.968 -1.862 1.00 0.00 H new ATOM 618 N VAL A 41 0.542 14.052 -1.277 1.00 0.00 N ATOM 619 CA VAL A 41 -0.503 15.049 -1.478 1.00 0.00 C ATOM 620 C VAL A 41 -0.996 15.604 -0.146 1.00 0.00 C ATOM 621 O VAL A 41 -1.510 16.720 -0.078 1.00 0.00 O ATOM 622 CB VAL A 41 -1.698 14.461 -2.251 1.00 0.00 C ATOM 623 CG1 VAL A 41 -1.226 13.776 -3.525 1.00 0.00 C ATOM 624 CG2 VAL A 41 -2.477 13.494 -1.373 1.00 0.00 C ATOM 0 H VAL A 41 0.227 13.086 -1.371 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.063 15.856 -2.064 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.363 15.277 -2.532 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.084 13.367 -4.058 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.716 14.500 -4.160 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.538 12.969 -3.271 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.318 13.088 -1.936 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.823 12.680 -1.060 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.849 14.020 -0.494 1.00 0.00 H new ATOM 634 N LYS A 42 -0.835 14.817 0.912 1.00 0.00 N ATOM 635 CA LYS A 42 -1.262 15.228 2.244 1.00 0.00 C ATOM 636 C LYS A 42 -0.159 16.010 2.951 1.00 0.00 C ATOM 637 O LYS A 42 -0.396 17.095 3.482 1.00 0.00 O ATOM 638 CB LYS A 42 -1.650 14.006 3.078 1.00 0.00 C ATOM 639 CG LYS A 42 -2.921 13.323 2.601 1.00 0.00 C ATOM 640 CD LYS A 42 -4.143 14.196 2.830 1.00 0.00 C ATOM 641 CE LYS A 42 -5.397 13.561 2.249 1.00 0.00 C ATOM 642 NZ LYS A 42 -6.619 13.961 3.001 1.00 0.00 N ATOM 0 H LYS A 42 -0.411 13.890 0.873 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.131 15.876 2.136 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.831 13.287 3.057 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.779 14.311 4.116 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.833 13.089 1.540 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.046 12.376 3.127 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.279 14.361 3.899 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.984 15.173 2.374 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.501 13.853 1.204 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.297 12.476 2.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.453 13.508 2.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.530 13.660 3.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.728 14.994 2.961 1.00 0.00 H new ATOM 656 N VAL A 43 1.047 15.452 2.954 1.00 0.00 N ATOM 657 CA VAL A 43 2.187 16.098 3.593 1.00 0.00 C ATOM 658 C VAL A 43 3.000 16.902 2.585 1.00 0.00 C ATOM 659 O VAL A 43 3.072 18.128 2.667 1.00 0.00 O ATOM 660 CB VAL A 43 3.108 15.067 4.273 1.00 0.00 C ATOM 661 CG1 VAL A 43 4.126 15.764 5.163 1.00 0.00 C ATOM 662 CG2 VAL A 43 2.288 14.065 5.071 1.00 0.00 C ATOM 0 H VAL A 43 1.260 14.553 2.521 1.00 0.00 H new ATOM 0 HA VAL A 43 1.785 16.771 4.350 1.00 0.00 H new ATOM 0 HB VAL A 43 3.650 14.524 3.499 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.767 15.019 5.635 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.735 16.438 4.561 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.606 16.335 5.933 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.955 13.344 5.545 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.718 14.590 5.837 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.603 13.542 4.404 1.00 0.00 H new ATOM 672 N GLY A 44 3.611 16.203 1.633 1.00 0.00 N ATOM 673 CA GLY A 44 4.411 16.869 0.622 1.00 0.00 C ATOM 674 C GLY A 44 5.836 16.354 0.577 1.00 0.00 C ATOM 675 O GLY A 44 6.075 15.157 0.732 1.00 0.00 O ATOM 0 H GLY A 44 3.566 15.188 1.544 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.947 16.729 -0.354 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.422 17.941 0.820 1.00 0.00 H new ATOM 679 N ASN A 45 6.785 17.260 0.364 1.00 0.00 N ATOM 680 CA ASN A 45 8.194 16.889 0.297 1.00 0.00 C ATOM 681 C ASN A 45 8.577 15.993 1.471 1.00 0.00 C ATOM 682 O ASN A 45 8.402 16.365 2.632 1.00 0.00 O ATOM 683 CB ASN A 45 9.072 18.142 0.289 1.00 0.00 C ATOM 684 CG ASN A 45 8.640 19.144 -0.764 1.00 0.00 C ATOM 685 OD1 ASN A 45 7.578 19.757 -0.655 1.00 0.00 O ATOM 686 ND2 ASN A 45 9.465 19.314 -1.791 1.00 0.00 N ATOM 0 H ASN A 45 6.604 18.256 0.235 1.00 0.00 H new ATOM 0 HA ASN A 45 8.355 16.334 -0.627 1.00 0.00 H new ATOM 0 HB2 ASN A 45 9.037 18.613 1.271 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.108 17.855 0.110 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.229 19.975 -2.531 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.335 18.784 -1.839 1.00 0.00 H new ATOM 693 N CYS A 46 9.100 14.812 1.160 1.00 0.00 N ATOM 694 CA CYS A 46 9.508 13.862 2.189 1.00 0.00 C ATOM 695 C CYS A 46 10.550 14.479 3.116 1.00 0.00 C ATOM 696 O CYS A 46 11.658 14.806 2.691 1.00 0.00 O ATOM 697 CB CYS A 46 10.067 12.592 1.547 1.00 0.00 C ATOM 698 SG CYS A 46 10.173 11.181 2.672 1.00 0.00 S ATOM 0 H CYS A 46 9.251 14.490 0.204 1.00 0.00 H new ATOM 0 HA CYS A 46 8.629 13.605 2.780 1.00 0.00 H new ATOM 0 HB2 CYS A 46 9.439 12.320 0.699 1.00 0.00 H new ATOM 0 HB3 CYS A 46 11.061 12.804 1.153 1.00 0.00 H new ATOM 0 HG CYS A 46 11.365 11.126 3.189 1.00 0.00 H new ATOM 704 N ASN A 47 10.187 14.638 4.384 1.00 0.00 N ATOM 705 CA ASN A 47 11.090 15.218 5.372 1.00 0.00 C ATOM 706 C ASN A 47 11.460 14.193 6.439 1.00 0.00 C ATOM 707 O ASN A 47 12.581 14.187 6.949 1.00 0.00 O ATOM 708 CB ASN A 47 10.445 16.443 6.025 1.00 0.00 C ATOM 709 CG ASN A 47 9.411 16.064 7.067 1.00 0.00 C ATOM 710 OD1 ASN A 47 9.692 16.064 8.266 1.00 0.00 O ATOM 711 ND2 ASN A 47 8.206 15.739 6.614 1.00 0.00 N ATOM 0 H ASN A 47 9.273 14.373 4.752 1.00 0.00 H new ATOM 0 HA ASN A 47 12.001 15.526 4.859 1.00 0.00 H new ATOM 0 HB2 ASN A 47 11.219 17.053 6.490 1.00 0.00 H new ATOM 0 HB3 ASN A 47 9.975 17.056 5.256 1.00 0.00 H new ATOM 0 HD21 ASN A 47 7.469 15.476 7.268 1.00 0.00 H new ATOM 0 HD22 ASN A 47 8.017 15.753 5.612 1.00 0.00 H new ATOM 718 N THR A 48 10.509 13.326 6.775 1.00 0.00 N ATOM 719 CA THR A 48 10.734 12.297 7.782 1.00 0.00 C ATOM 720 C THR A 48 12.086 11.622 7.585 1.00 0.00 C ATOM 721 O THR A 48 12.582 11.484 6.467 1.00 0.00 O ATOM 722 CB THR A 48 9.628 11.226 7.746 1.00 0.00 C ATOM 723 OG1 THR A 48 9.396 10.805 6.397 1.00 0.00 O ATOM 724 CG2 THR A 48 8.335 11.762 8.344 1.00 0.00 C ATOM 0 H THR A 48 9.576 13.317 6.364 1.00 0.00 H new ATOM 0 HA THR A 48 10.717 12.794 8.752 1.00 0.00 H new ATOM 0 HB THR A 48 9.959 10.374 8.340 1.00 0.00 H new ATOM 0 HG1 THR A 48 10.022 10.087 6.166 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.569 10.988 8.307 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.507 12.054 9.380 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.002 12.629 7.773 1.00 0.00 H new ATOM 732 N PRO A 49 12.699 11.189 8.697 1.00 0.00 N ATOM 733 CA PRO A 49 14.003 10.519 8.672 1.00 0.00 C ATOM 734 C PRO A 49 13.928 9.127 8.054 1.00 0.00 C ATOM 735 O PRO A 49 12.948 8.405 8.240 1.00 0.00 O ATOM 736 CB PRO A 49 14.382 10.426 10.153 1.00 0.00 C ATOM 737 CG PRO A 49 13.081 10.448 10.879 1.00 0.00 C ATOM 738 CD PRO A 49 12.166 11.319 10.064 1.00 0.00 C ATOM 0 HA PRO A 49 14.728 11.061 8.065 1.00 0.00 H new ATOM 0 HB2 PRO A 49 14.937 9.512 10.363 1.00 0.00 H new ATOM 0 HB3 PRO A 49 15.017 11.260 10.452 1.00 0.00 H new ATOM 0 HG2 PRO A 49 12.674 9.442 10.981 1.00 0.00 H new ATOM 0 HG3 PRO A 49 13.203 10.846 11.887 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.131 10.983 10.125 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.186 12.354 10.406 1.00 0.00 H new ATOM 746 N LYS A 50 14.969 8.756 7.317 1.00 0.00 N ATOM 747 CA LYS A 50 15.023 7.449 6.671 1.00 0.00 C ATOM 748 C LYS A 50 14.867 6.330 7.695 1.00 0.00 C ATOM 749 O LYS A 50 15.459 6.356 8.775 1.00 0.00 O ATOM 750 CB LYS A 50 16.344 7.284 5.917 1.00 0.00 C ATOM 751 CG LYS A 50 16.332 6.147 4.910 1.00 0.00 C ATOM 752 CD LYS A 50 17.670 6.015 4.203 1.00 0.00 C ATOM 753 CE LYS A 50 17.582 5.067 3.016 1.00 0.00 C ATOM 754 NZ LYS A 50 18.854 5.026 2.243 1.00 0.00 N ATOM 0 H LYS A 50 15.787 9.342 7.152 1.00 0.00 H new ATOM 0 HA LYS A 50 14.197 7.387 5.962 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.576 8.215 5.399 1.00 0.00 H new ATOM 0 HB3 LYS A 50 17.144 7.112 6.637 1.00 0.00 H new ATOM 0 HG2 LYS A 50 16.094 5.212 5.418 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.546 6.319 4.175 1.00 0.00 H new ATOM 0 HD2 LYS A 50 18.001 6.996 3.863 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.420 5.651 4.906 1.00 0.00 H new ATOM 0 HE2 LYS A 50 17.339 4.065 3.369 1.00 0.00 H new ATOM 0 HE3 LYS A 50 16.769 5.380 2.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.753 4.369 1.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 19.073 5.977 1.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.626 4.703 2.861 1.00 0.00 H new ATOM 768 N PRO A 51 14.052 5.321 7.351 1.00 0.00 N ATOM 769 CA PRO A 51 13.801 4.172 8.226 1.00 0.00 C ATOM 770 C PRO A 51 15.022 3.269 8.362 1.00 0.00 C ATOM 771 O PRO A 51 16.028 3.462 7.679 1.00 0.00 O ATOM 772 CB PRO A 51 12.663 3.430 7.520 1.00 0.00 C ATOM 773 CG PRO A 51 12.793 3.814 6.087 1.00 0.00 C ATOM 774 CD PRO A 51 13.314 5.224 6.081 1.00 0.00 C ATOM 0 HA PRO A 51 13.561 4.480 9.244 1.00 0.00 H new ATOM 0 HB2 PRO A 51 12.752 2.352 7.651 1.00 0.00 H new ATOM 0 HB3 PRO A 51 11.692 3.720 7.921 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.475 3.144 5.564 1.00 0.00 H new ATOM 0 HG3 PRO A 51 11.831 3.751 5.578 1.00 0.00 H new ATOM 0 HD2 PRO A 51 13.962 5.409 5.225 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.504 5.951 6.031 1.00 0.00 H new ATOM 782 N SER A 52 14.927 2.283 9.248 1.00 0.00 N ATOM 783 CA SER A 52 16.026 1.351 9.476 1.00 0.00 C ATOM 784 C SER A 52 16.068 0.284 8.386 1.00 0.00 C ATOM 785 O SER A 52 15.029 -0.194 7.929 1.00 0.00 O ATOM 786 CB SER A 52 15.886 0.691 10.848 1.00 0.00 C ATOM 787 OG SER A 52 17.143 0.249 11.332 1.00 0.00 O ATOM 0 H SER A 52 14.101 2.109 9.820 1.00 0.00 H new ATOM 0 HA SER A 52 16.959 1.913 9.445 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.450 1.399 11.553 1.00 0.00 H new ATOM 0 HB3 SER A 52 15.201 -0.154 10.780 1.00 0.00 H new ATOM 0 HG SER A 52 17.027 -0.168 12.211 1.00 0.00 H new ATOM 793 N PHE A 53 17.276 -0.086 7.975 1.00 0.00 N ATOM 794 CA PHE A 53 17.455 -1.096 6.939 1.00 0.00 C ATOM 795 C PHE A 53 16.640 -2.347 7.253 1.00 0.00 C ATOM 796 O PHE A 53 15.926 -2.868 6.396 1.00 0.00 O ATOM 797 CB PHE A 53 18.935 -1.459 6.801 1.00 0.00 C ATOM 798 CG PHE A 53 19.189 -2.587 5.842 1.00 0.00 C ATOM 799 CD1 PHE A 53 19.123 -2.379 4.474 1.00 0.00 C ATOM 800 CD2 PHE A 53 19.494 -3.855 6.309 1.00 0.00 C ATOM 801 CE1 PHE A 53 19.355 -3.415 3.590 1.00 0.00 C ATOM 802 CE2 PHE A 53 19.728 -4.896 5.430 1.00 0.00 C ATOM 803 CZ PHE A 53 19.659 -4.675 4.068 1.00 0.00 C ATOM 0 H PHE A 53 18.146 0.299 8.344 1.00 0.00 H new ATOM 0 HA PHE A 53 17.101 -0.680 5.996 1.00 0.00 H new ATOM 0 HB2 PHE A 53 19.487 -0.580 6.469 1.00 0.00 H new ATOM 0 HB3 PHE A 53 19.327 -1.731 7.781 1.00 0.00 H new ATOM 0 HD1 PHE A 53 18.888 -1.396 4.094 1.00 0.00 H new ATOM 0 HD2 PHE A 53 19.550 -4.032 7.373 1.00 0.00 H new ATOM 0 HE1 PHE A 53 19.299 -3.240 2.526 1.00 0.00 H new ATOM 0 HE2 PHE A 53 19.964 -5.880 5.807 1.00 0.00 H new ATOM 0 HZ PHE A 53 19.842 -5.486 3.378 1.00 0.00 H new ATOM 813 N PHE A 54 16.753 -2.825 8.488 1.00 0.00 N ATOM 814 CA PHE A 54 16.029 -4.016 8.915 1.00 0.00 C ATOM 815 C PHE A 54 14.522 -3.817 8.774 1.00 0.00 C ATOM 816 O PHE A 54 13.790 -4.751 8.445 1.00 0.00 O ATOM 817 CB PHE A 54 16.375 -4.356 10.366 1.00 0.00 C ATOM 818 CG PHE A 54 17.555 -5.276 10.501 1.00 0.00 C ATOM 819 CD1 PHE A 54 18.794 -4.913 10.000 1.00 0.00 C ATOM 820 CD2 PHE A 54 17.425 -6.504 11.130 1.00 0.00 C ATOM 821 CE1 PHE A 54 19.882 -5.756 10.123 1.00 0.00 C ATOM 822 CE2 PHE A 54 18.509 -7.352 11.256 1.00 0.00 C ATOM 823 CZ PHE A 54 19.739 -6.978 10.750 1.00 0.00 C ATOM 0 H PHE A 54 17.339 -2.406 9.210 1.00 0.00 H new ATOM 0 HA PHE A 54 16.331 -4.843 8.273 1.00 0.00 H new ATOM 0 HB2 PHE A 54 16.580 -3.433 10.908 1.00 0.00 H new ATOM 0 HB3 PHE A 54 15.508 -4.818 10.839 1.00 0.00 H new ATOM 0 HD1 PHE A 54 18.911 -3.959 9.507 1.00 0.00 H new ATOM 0 HD2 PHE A 54 16.465 -6.802 11.526 1.00 0.00 H new ATOM 0 HE1 PHE A 54 20.843 -5.459 9.729 1.00 0.00 H new ATOM 0 HE2 PHE A 54 18.395 -8.306 11.749 1.00 0.00 H new ATOM 0 HZ PHE A 54 20.587 -7.640 10.845 1.00 0.00 H new ATOM 833 N ASP A 55 14.068 -2.594 9.024 1.00 0.00 N ATOM 834 CA ASP A 55 12.649 -2.271 8.924 1.00 0.00 C ATOM 835 C ASP A 55 12.219 -2.156 7.465 1.00 0.00 C ATOM 836 O ASP A 55 12.071 -1.055 6.935 1.00 0.00 O ATOM 837 CB ASP A 55 12.349 -0.965 9.661 1.00 0.00 C ATOM 838 CG ASP A 55 12.023 -1.188 11.125 1.00 0.00 C ATOM 839 OD1 ASP A 55 11.674 -2.331 11.487 1.00 0.00 O ATOM 840 OD2 ASP A 55 12.115 -0.219 11.908 1.00 0.00 O ATOM 0 H ASP A 55 14.661 -1.810 9.297 1.00 0.00 H new ATOM 0 HA ASP A 55 12.084 -3.080 9.388 1.00 0.00 H new ATOM 0 HB2 ASP A 55 13.209 -0.300 9.580 1.00 0.00 H new ATOM 0 HB3 ASP A 55 11.511 -0.463 9.178 1.00 0.00 H new ATOM 845 N PHE A 56 12.021 -3.301 6.820 1.00 0.00 N ATOM 846 CA PHE A 56 11.610 -3.330 5.422 1.00 0.00 C ATOM 847 C PHE A 56 10.229 -2.705 5.248 1.00 0.00 C ATOM 848 O PHE A 56 10.057 -1.762 4.476 1.00 0.00 O ATOM 849 CB PHE A 56 11.601 -4.768 4.900 1.00 0.00 C ATOM 850 CG PHE A 56 12.521 -5.685 5.654 1.00 0.00 C ATOM 851 CD1 PHE A 56 12.087 -6.338 6.796 1.00 0.00 C ATOM 852 CD2 PHE A 56 13.821 -5.894 5.220 1.00 0.00 C ATOM 853 CE1 PHE A 56 12.932 -7.183 7.492 1.00 0.00 C ATOM 854 CE2 PHE A 56 14.669 -6.738 5.911 1.00 0.00 C ATOM 855 CZ PHE A 56 14.225 -7.382 7.049 1.00 0.00 C ATOM 0 H PHE A 56 12.139 -4.221 7.244 1.00 0.00 H new ATOM 0 HA PHE A 56 12.329 -2.747 4.846 1.00 0.00 H new ATOM 0 HB2 PHE A 56 10.585 -5.160 4.955 1.00 0.00 H new ATOM 0 HB3 PHE A 56 11.885 -4.766 3.848 1.00 0.00 H new ATOM 0 HD1 PHE A 56 11.077 -6.185 7.147 1.00 0.00 H new ATOM 0 HD2 PHE A 56 14.175 -5.391 4.332 1.00 0.00 H new ATOM 0 HE1 PHE A 56 12.581 -7.687 8.381 1.00 0.00 H new ATOM 0 HE2 PHE A 56 15.679 -6.894 5.561 1.00 0.00 H new ATOM 0 HZ PHE A 56 14.888 -8.040 7.592 1.00 0.00 H new ATOM 865 N GLU A 57 9.249 -3.238 5.970 1.00 0.00 N ATOM 866 CA GLU A 57 7.883 -2.734 5.895 1.00 0.00 C ATOM 867 C GLU A 57 7.872 -1.221 5.694 1.00 0.00 C ATOM 868 O GLU A 57 7.310 -0.717 4.723 1.00 0.00 O ATOM 869 CB GLU A 57 7.111 -3.097 7.165 1.00 0.00 C ATOM 870 CG GLU A 57 7.274 -4.548 7.582 1.00 0.00 C ATOM 871 CD GLU A 57 6.356 -4.933 8.727 1.00 0.00 C ATOM 872 OE1 GLU A 57 6.111 -4.079 9.604 1.00 0.00 O ATOM 873 OE2 GLU A 57 5.883 -6.088 8.744 1.00 0.00 O ATOM 0 H GLU A 57 9.376 -4.019 6.614 1.00 0.00 H new ATOM 0 HA GLU A 57 7.397 -3.201 5.038 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.445 -2.454 7.979 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.052 -2.889 7.008 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.072 -5.193 6.727 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.309 -4.724 7.876 1.00 0.00 H new ATOM 880 N GLY A 58 8.498 -0.502 6.622 1.00 0.00 N ATOM 881 CA GLY A 58 8.548 0.945 6.529 1.00 0.00 C ATOM 882 C GLY A 58 9.463 1.424 5.420 1.00 0.00 C ATOM 883 O GLY A 58 9.125 2.348 4.681 1.00 0.00 O ATOM 0 H GLY A 58 8.971 -0.896 7.435 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.543 1.330 6.358 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.889 1.355 7.480 1.00 0.00 H new ATOM 887 N LYS A 59 10.628 0.796 5.303 1.00 0.00 N ATOM 888 CA LYS A 59 11.597 1.162 4.277 1.00 0.00 C ATOM 889 C LYS A 59 10.900 1.453 2.951 1.00 0.00 C ATOM 890 O LYS A 59 11.048 2.536 2.387 1.00 0.00 O ATOM 891 CB LYS A 59 12.623 0.042 4.091 1.00 0.00 C ATOM 892 CG LYS A 59 13.835 0.457 3.275 1.00 0.00 C ATOM 893 CD LYS A 59 15.041 -0.414 3.585 1.00 0.00 C ATOM 894 CE LYS A 59 14.722 -1.890 3.410 1.00 0.00 C ATOM 895 NZ LYS A 59 15.932 -2.680 3.048 1.00 0.00 N ATOM 0 H LYS A 59 10.924 0.030 5.907 1.00 0.00 H new ATOM 0 HA LYS A 59 12.111 2.066 4.604 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.955 -0.301 5.071 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.140 -0.805 3.604 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.600 0.390 2.213 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.075 1.500 3.483 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.868 -0.139 2.930 1.00 0.00 H new ATOM 0 HD3 LYS A 59 15.370 -0.231 4.608 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.296 -2.281 4.334 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.965 -2.009 2.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.750 -3.690 3.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 16.156 -2.532 2.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 16.736 -2.371 3.631 1.00 0.00 H new ATOM 909 N GLN A 60 10.141 0.479 2.461 1.00 0.00 N ATOM 910 CA GLN A 60 9.421 0.631 1.202 1.00 0.00 C ATOM 911 C GLN A 60 8.527 1.867 1.232 1.00 0.00 C ATOM 912 O GLN A 60 8.474 2.632 0.269 1.00 0.00 O ATOM 913 CB GLN A 60 8.581 -0.614 0.916 1.00 0.00 C ATOM 914 CG GLN A 60 7.751 -1.074 2.104 1.00 0.00 C ATOM 915 CD GLN A 60 6.911 -2.297 1.790 1.00 0.00 C ATOM 916 OE1 GLN A 60 5.692 -2.287 1.961 1.00 0.00 O ATOM 917 NE2 GLN A 60 7.560 -3.359 1.328 1.00 0.00 N ATOM 0 H GLN A 60 10.008 -0.424 2.916 1.00 0.00 H new ATOM 0 HA GLN A 60 10.155 0.755 0.406 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.916 -0.409 0.077 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.241 -1.425 0.609 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.413 -1.298 2.940 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.098 -0.261 2.423 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.571 -3.323 1.202 1.00 0.00 H new ATOM 0 HE22 GLN A 60 7.047 -4.211 1.099 1.00 0.00 H new ATOM 926 N LYS A 61 7.825 2.056 2.345 1.00 0.00 N ATOM 927 CA LYS A 61 6.933 3.198 2.502 1.00 0.00 C ATOM 928 C LYS A 61 7.696 4.510 2.345 1.00 0.00 C ATOM 929 O LYS A 61 7.397 5.309 1.458 1.00 0.00 O ATOM 930 CB LYS A 61 6.251 3.154 3.872 1.00 0.00 C ATOM 931 CG LYS A 61 5.444 1.889 4.108 1.00 0.00 C ATOM 932 CD LYS A 61 4.357 2.108 5.148 1.00 0.00 C ATOM 933 CE LYS A 61 3.055 2.562 4.506 1.00 0.00 C ATOM 934 NZ LYS A 61 1.918 2.519 5.467 1.00 0.00 N ATOM 0 H LYS A 61 7.857 1.432 3.151 1.00 0.00 H new ATOM 0 HA LYS A 61 6.173 3.144 1.722 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.010 3.241 4.650 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.594 4.018 3.970 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.992 1.564 3.171 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.107 1.089 4.436 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.189 1.183 5.700 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.688 2.855 5.870 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.172 3.577 4.127 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.831 1.926 3.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.225 1.810 5.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.271 2.264 6.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.463 3.453 5.508 1.00 0.00 H new ATOM 948 N TRP A 62 8.682 4.723 3.208 1.00 0.00 N ATOM 949 CA TRP A 62 9.488 5.937 3.163 1.00 0.00 C ATOM 950 C TRP A 62 10.118 6.121 1.787 1.00 0.00 C ATOM 951 O TRP A 62 10.208 7.240 1.281 1.00 0.00 O ATOM 952 CB TRP A 62 10.579 5.890 4.235 1.00 0.00 C ATOM 953 CG TRP A 62 11.371 7.158 4.333 1.00 0.00 C ATOM 954 CD1 TRP A 62 11.081 8.249 5.102 1.00 0.00 C ATOM 955 CD2 TRP A 62 12.582 7.468 3.635 1.00 0.00 C ATOM 956 NE1 TRP A 62 12.039 9.218 4.925 1.00 0.00 N ATOM 957 CE2 TRP A 62 12.971 8.763 4.031 1.00 0.00 C ATOM 958 CE3 TRP A 62 13.377 6.778 2.716 1.00 0.00 C ATOM 959 CZ2 TRP A 62 14.119 9.379 3.537 1.00 0.00 C ATOM 960 CZ3 TRP A 62 14.515 7.390 2.227 1.00 0.00 C ATOM 961 CH2 TRP A 62 14.878 8.679 2.639 1.00 0.00 C ATOM 0 H TRP A 62 8.943 4.071 3.948 1.00 0.00 H new ATOM 0 HA TRP A 62 8.833 6.786 3.359 1.00 0.00 H new ATOM 0 HB2 TRP A 62 10.120 5.681 5.201 1.00 0.00 H new ATOM 0 HB3 TRP A 62 11.256 5.063 4.018 1.00 0.00 H new ATOM 0 HD1 TRP A 62 10.224 8.337 5.754 1.00 0.00 H new ATOM 0 HE1 TRP A 62 12.054 10.128 5.385 1.00 0.00 H new ATOM 0 HE3 TRP A 62 13.106 5.783 2.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 14.400 10.373 3.852 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 15.135 6.866 1.515 1.00 0.00 H new ATOM 0 HH2 TRP A 62 15.775 9.129 2.240 1.00 0.00 H new ATOM 972 N GLU A 63 10.552 5.018 1.187 1.00 0.00 N ATOM 973 CA GLU A 63 11.174 5.060 -0.132 1.00 0.00 C ATOM 974 C GLU A 63 10.191 5.571 -1.181 1.00 0.00 C ATOM 975 O GLU A 63 10.320 6.691 -1.675 1.00 0.00 O ATOM 976 CB GLU A 63 11.681 3.671 -0.526 1.00 0.00 C ATOM 977 CG GLU A 63 13.016 3.309 0.104 1.00 0.00 C ATOM 978 CD GLU A 63 13.816 2.339 -0.743 1.00 0.00 C ATOM 979 OE1 GLU A 63 13.512 1.128 -0.704 1.00 0.00 O ATOM 980 OE2 GLU A 63 14.745 2.790 -1.445 1.00 0.00 O ATOM 0 H GLU A 63 10.485 4.084 1.592 1.00 0.00 H new ATOM 0 HA GLU A 63 12.019 5.747 -0.085 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.939 2.927 -0.237 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.776 3.622 -1.611 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.599 4.217 0.258 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.843 2.870 1.087 1.00 0.00 H new ATOM 987 N ALA A 64 9.208 4.741 -1.516 1.00 0.00 N ATOM 988 CA ALA A 64 8.202 5.109 -2.505 1.00 0.00 C ATOM 989 C ALA A 64 7.822 6.580 -2.381 1.00 0.00 C ATOM 990 O ALA A 64 7.926 7.341 -3.343 1.00 0.00 O ATOM 991 CB ALA A 64 6.970 4.229 -2.357 1.00 0.00 C ATOM 0 H ALA A 64 9.087 3.810 -1.117 1.00 0.00 H new ATOM 0 HA ALA A 64 8.629 4.954 -3.496 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.227 4.515 -3.102 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.248 3.185 -2.504 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.550 4.355 -1.359 1.00 0.00 H new ATOM 997 N TRP A 65 7.382 6.974 -1.191 1.00 0.00 N ATOM 998 CA TRP A 65 6.985 8.355 -0.942 1.00 0.00 C ATOM 999 C TRP A 65 8.170 9.301 -1.111 1.00 0.00 C ATOM 1000 O TRP A 65 8.050 10.358 -1.731 1.00 0.00 O ATOM 1001 CB TRP A 65 6.402 8.494 0.465 1.00 0.00 C ATOM 1002 CG TRP A 65 6.127 9.915 0.856 1.00 0.00 C ATOM 1003 CD1 TRP A 65 5.905 10.968 0.016 1.00 0.00 C ATOM 1004 CD2 TRP A 65 6.046 10.437 2.187 1.00 0.00 C ATOM 1005 NE1 TRP A 65 5.691 12.113 0.744 1.00 0.00 N ATOM 1006 CE2 TRP A 65 5.771 11.814 2.078 1.00 0.00 C ATOM 1007 CE3 TRP A 65 6.177 9.875 3.460 1.00 0.00 C ATOM 1008 CZ2 TRP A 65 5.627 12.634 3.194 1.00 0.00 C ATOM 1009 CZ3 TRP A 65 6.034 10.690 4.566 1.00 0.00 C ATOM 1010 CH2 TRP A 65 5.761 12.058 4.428 1.00 0.00 C ATOM 0 H TRP A 65 7.291 6.357 -0.384 1.00 0.00 H new ATOM 0 HA TRP A 65 6.222 8.625 -1.672 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.476 7.922 0.525 1.00 0.00 H new ATOM 0 HB3 TRP A 65 7.095 8.055 1.183 1.00 0.00 H new ATOM 0 HD1 TRP A 65 5.899 10.909 -1.062 1.00 0.00 H new ATOM 0 HE1 TRP A 65 5.503 13.037 0.354 1.00 0.00 H new ATOM 0 HE3 TRP A 65 6.386 8.822 3.577 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 5.417 13.688 3.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 6.134 10.266 5.554 1.00 0.00 H new ATOM 0 HH2 TRP A 65 5.654 12.669 5.312 1.00 0.00 H new ATOM 1021 N LYS A 66 9.313 8.914 -0.556 1.00 0.00 N ATOM 1022 CA LYS A 66 10.521 9.726 -0.646 1.00 0.00 C ATOM 1023 C LYS A 66 10.781 10.156 -2.087 1.00 0.00 C ATOM 1024 O LYS A 66 11.058 11.325 -2.355 1.00 0.00 O ATOM 1025 CB LYS A 66 11.725 8.948 -0.110 1.00 0.00 C ATOM 1026 CG LYS A 66 13.062 9.578 -0.461 1.00 0.00 C ATOM 1027 CD LYS A 66 13.283 10.875 0.299 1.00 0.00 C ATOM 1028 CE LYS A 66 14.144 11.846 -0.495 1.00 0.00 C ATOM 1029 NZ LYS A 66 13.323 12.722 -1.376 1.00 0.00 N ATOM 0 H LYS A 66 9.429 8.043 -0.039 1.00 0.00 H new ATOM 0 HA LYS A 66 10.374 10.619 -0.039 1.00 0.00 H new ATOM 0 HB2 LYS A 66 11.643 8.870 0.974 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.696 7.933 -0.506 1.00 0.00 H new ATOM 0 HG2 LYS A 66 13.866 8.879 -0.231 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.104 9.771 -1.533 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.321 11.337 0.520 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.761 10.661 1.255 1.00 0.00 H new ATOM 0 HE2 LYS A 66 14.724 12.463 0.192 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.857 11.287 -1.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 13.896 13.036 -2.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 12.498 12.191 -1.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 13.001 13.551 -0.838 1.00 0.00 H new ATOM 1043 N ALA A 67 10.689 9.204 -3.010 1.00 0.00 N ATOM 1044 CA ALA A 67 10.911 9.486 -4.422 1.00 0.00 C ATOM 1045 C ALA A 67 10.089 10.687 -4.878 1.00 0.00 C ATOM 1046 O ALA A 67 10.456 11.379 -5.829 1.00 0.00 O ATOM 1047 CB ALA A 67 10.574 8.264 -5.264 1.00 0.00 C ATOM 0 H ALA A 67 10.462 8.231 -2.805 1.00 0.00 H new ATOM 0 HA ALA A 67 11.965 9.728 -4.557 1.00 0.00 H new ATOM 0 HB1 ALA A 67 10.745 8.489 -6.317 1.00 0.00 H new ATOM 0 HB2 ALA A 67 11.208 7.429 -4.964 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.528 7.997 -5.115 1.00 0.00 H new ATOM 1053 N LEU A 68 8.976 10.930 -4.195 1.00 0.00 N ATOM 1054 CA LEU A 68 8.101 12.048 -4.530 1.00 0.00 C ATOM 1055 C LEU A 68 8.508 13.305 -3.768 1.00 0.00 C ATOM 1056 O LEU A 68 7.677 13.953 -3.132 1.00 0.00 O ATOM 1057 CB LEU A 68 6.647 11.695 -4.216 1.00 0.00 C ATOM 1058 CG LEU A 68 6.163 10.333 -4.717 1.00 0.00 C ATOM 1059 CD1 LEU A 68 4.806 9.996 -4.119 1.00 0.00 C ATOM 1060 CD2 LEU A 68 6.098 10.316 -6.237 1.00 0.00 C ATOM 0 H LEU A 68 8.658 10.368 -3.406 1.00 0.00 H new ATOM 0 HA LEU A 68 8.197 12.246 -5.598 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.511 11.731 -3.135 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.006 12.466 -4.644 1.00 0.00 H new ATOM 0 HG LEU A 68 6.877 9.574 -4.396 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.478 9.024 -4.487 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.885 9.965 -3.032 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.082 10.757 -4.409 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.752 9.339 -6.575 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.406 11.085 -6.580 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.089 10.511 -6.646 1.00 0.00 H new ATOM 1072 N GLY A 69 9.791 13.645 -3.837 1.00 0.00 N ATOM 1073 CA GLY A 69 10.285 14.824 -3.151 1.00 0.00 C ATOM 1074 C GLY A 69 9.842 16.112 -3.818 1.00 0.00 C ATOM 1075 O GLY A 69 9.371 17.034 -3.152 1.00 0.00 O ATOM 0 H GLY A 69 10.498 13.124 -4.356 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.934 14.814 -2.119 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.374 14.792 -3.118 1.00 0.00 H new ATOM 1079 N ASP A 70 9.995 16.176 -5.136 1.00 0.00 N ATOM 1080 CA ASP A 70 9.608 17.360 -5.894 1.00 0.00 C ATOM 1081 C ASP A 70 8.355 17.090 -6.721 1.00 0.00 C ATOM 1082 O ASP A 70 8.210 17.602 -7.831 1.00 0.00 O ATOM 1083 CB ASP A 70 10.752 17.803 -6.808 1.00 0.00 C ATOM 1084 CG ASP A 70 10.751 19.299 -7.053 1.00 0.00 C ATOM 1085 OD1 ASP A 70 9.655 19.870 -7.228 1.00 0.00 O ATOM 1086 OD2 ASP A 70 11.847 19.898 -7.070 1.00 0.00 O ATOM 0 H ASP A 70 10.384 15.422 -5.702 1.00 0.00 H new ATOM 0 HA ASP A 70 9.389 18.159 -5.186 1.00 0.00 H new ATOM 0 HB2 ASP A 70 11.703 17.511 -6.362 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.674 17.281 -7.762 1.00 0.00 H new ATOM 1091 N SER A 71 7.452 16.283 -6.172 1.00 0.00 N ATOM 1092 CA SER A 71 6.213 15.942 -6.861 1.00 0.00 C ATOM 1093 C SER A 71 5.052 16.783 -6.340 1.00 0.00 C ATOM 1094 O SER A 71 4.984 17.099 -5.152 1.00 0.00 O ATOM 1095 CB SER A 71 5.900 14.455 -6.684 1.00 0.00 C ATOM 1096 OG SER A 71 6.767 13.654 -7.469 1.00 0.00 O ATOM 0 H SER A 71 7.555 15.854 -5.253 1.00 0.00 H new ATOM 0 HA SER A 71 6.345 16.155 -7.922 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.999 14.182 -5.633 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.865 14.262 -6.967 1.00 0.00 H new ATOM 0 HG SER A 71 6.368 12.768 -7.596 1.00 0.00 H new ATOM 1102 N SER A 72 4.140 17.142 -7.237 1.00 0.00 N ATOM 1103 CA SER A 72 2.983 17.951 -6.870 1.00 0.00 C ATOM 1104 C SER A 72 1.873 17.078 -6.293 1.00 0.00 C ATOM 1105 O SER A 72 1.844 15.862 -6.479 1.00 0.00 O ATOM 1106 CB SER A 72 2.464 18.718 -8.088 1.00 0.00 C ATOM 1107 OG SER A 72 3.087 19.986 -8.196 1.00 0.00 O ATOM 0 H SER A 72 4.179 16.886 -8.223 1.00 0.00 H new ATOM 0 HA SER A 72 3.295 18.664 -6.107 1.00 0.00 H new ATOM 0 HB2 SER A 72 2.651 18.139 -8.993 1.00 0.00 H new ATOM 0 HB3 SER A 72 1.384 18.845 -8.008 1.00 0.00 H new ATOM 0 HG SER A 72 2.739 20.455 -8.983 1.00 0.00 H new ATOM 1113 N PRO A 73 0.935 17.714 -5.574 1.00 0.00 N ATOM 1114 CA PRO A 73 -0.195 17.017 -4.954 1.00 0.00 C ATOM 1115 C PRO A 73 -1.195 16.503 -5.985 1.00 0.00 C ATOM 1116 O PRO A 73 -1.573 15.331 -5.966 1.00 0.00 O ATOM 1117 CB PRO A 73 -0.838 18.094 -4.077 1.00 0.00 C ATOM 1118 CG PRO A 73 -0.457 19.383 -4.719 1.00 0.00 C ATOM 1119 CD PRO A 73 0.907 19.163 -5.312 1.00 0.00 C ATOM 0 HA PRO A 73 0.124 16.133 -4.402 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.921 17.977 -4.036 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.473 18.039 -3.051 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.176 19.663 -5.488 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.439 20.192 -3.989 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.045 19.740 -6.227 1.00 0.00 H new ATOM 0 HD3 PRO A 73 1.698 19.462 -4.624 1.00 0.00 H new ATOM 1127 N SER A 74 -1.618 17.386 -6.884 1.00 0.00 N ATOM 1128 CA SER A 74 -2.577 17.021 -7.920 1.00 0.00 C ATOM 1129 C SER A 74 -2.017 15.919 -8.815 1.00 0.00 C ATOM 1130 O SER A 74 -2.713 14.959 -9.143 1.00 0.00 O ATOM 1131 CB SER A 74 -2.936 18.245 -8.765 1.00 0.00 C ATOM 1132 OG SER A 74 -2.001 18.435 -9.813 1.00 0.00 O ATOM 0 H SER A 74 -1.312 18.358 -6.916 1.00 0.00 H new ATOM 0 HA SER A 74 -3.477 16.647 -7.432 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.935 18.122 -9.183 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.963 19.132 -8.132 1.00 0.00 H new ATOM 0 HG SER A 74 -2.254 19.222 -10.339 1.00 0.00 H new ATOM 1138 N GLN A 75 -0.754 16.066 -9.204 1.00 0.00 N ATOM 1139 CA GLN A 75 -0.101 15.084 -10.061 1.00 0.00 C ATOM 1140 C GLN A 75 -0.037 13.722 -9.377 1.00 0.00 C ATOM 1141 O GLN A 75 0.208 12.703 -10.023 1.00 0.00 O ATOM 1142 CB GLN A 75 1.309 15.552 -10.425 1.00 0.00 C ATOM 1143 CG GLN A 75 1.333 16.834 -11.242 1.00 0.00 C ATOM 1144 CD GLN A 75 2.708 17.145 -11.799 1.00 0.00 C ATOM 1145 OE1 GLN A 75 3.684 17.247 -11.055 1.00 0.00 O ATOM 1146 NE2 GLN A 75 2.792 17.298 -13.115 1.00 0.00 N ATOM 0 H GLN A 75 -0.164 16.855 -8.939 1.00 0.00 H new ATOM 0 HA GLN A 75 -0.690 14.985 -10.973 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.880 15.704 -9.509 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.811 14.764 -10.986 1.00 0.00 H new ATOM 0 HG2 GLN A 75 0.623 16.750 -12.064 1.00 0.00 H new ATOM 0 HG3 GLN A 75 1.001 17.664 -10.618 1.00 0.00 H new ATOM 0 HE21 GLN A 75 1.957 17.205 -13.694 1.00 0.00 H new ATOM 0 HE22 GLN A 75 3.691 17.509 -13.548 1.00 0.00 H new ATOM 1155 N ALA A 76 -0.258 13.712 -8.067 1.00 0.00 N ATOM 1156 CA ALA A 76 -0.227 12.476 -7.296 1.00 0.00 C ATOM 1157 C ALA A 76 -1.621 11.869 -7.174 1.00 0.00 C ATOM 1158 O ALA A 76 -1.770 10.656 -7.037 1.00 0.00 O ATOM 1159 CB ALA A 76 0.364 12.728 -5.917 1.00 0.00 C ATOM 0 H ALA A 76 -0.461 14.547 -7.517 1.00 0.00 H new ATOM 0 HA ALA A 76 0.406 11.763 -7.825 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.381 11.796 -5.352 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.380 13.108 -6.021 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.245 13.461 -5.389 1.00 0.00 H new ATOM 1165 N MET A 77 -2.638 12.723 -7.224 1.00 0.00 N ATOM 1166 CA MET A 77 -4.020 12.270 -7.119 1.00 0.00 C ATOM 1167 C MET A 77 -4.485 11.634 -8.426 1.00 0.00 C ATOM 1168 O MET A 77 -5.301 10.714 -8.423 1.00 0.00 O ATOM 1169 CB MET A 77 -4.937 13.439 -6.754 1.00 0.00 C ATOM 1170 CG MET A 77 -4.600 14.080 -5.417 1.00 0.00 C ATOM 1171 SD MET A 77 -5.928 15.129 -4.796 1.00 0.00 S ATOM 1172 CE MET A 77 -5.015 16.605 -4.352 1.00 0.00 C ATOM 0 H MET A 77 -2.531 13.731 -7.336 1.00 0.00 H new ATOM 0 HA MET A 77 -4.070 11.518 -6.331 1.00 0.00 H new ATOM 0 HB2 MET A 77 -4.877 14.196 -7.536 1.00 0.00 H new ATOM 0 HB3 MET A 77 -5.968 13.087 -6.730 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.388 13.299 -4.687 1.00 0.00 H new ATOM 0 HG3 MET A 77 -3.692 14.674 -5.522 1.00 0.00 H new ATOM 0 HE1 MET A 77 -5.701 17.350 -3.950 1.00 0.00 H new ATOM 0 HE2 MET A 77 -4.267 16.357 -3.599 1.00 0.00 H new ATOM 0 HE3 MET A 77 -4.520 17.007 -5.236 1.00 0.00 H new ATOM 1182 N GLN A 78 -3.959 12.132 -9.541 1.00 0.00 N ATOM 1183 CA GLN A 78 -4.321 11.613 -10.854 1.00 0.00 C ATOM 1184 C GLN A 78 -4.022 10.120 -10.951 1.00 0.00 C ATOM 1185 O GLN A 78 -4.851 9.342 -11.420 1.00 0.00 O ATOM 1186 CB GLN A 78 -3.567 12.368 -11.950 1.00 0.00 C ATOM 1187 CG GLN A 78 -3.949 13.836 -12.051 1.00 0.00 C ATOM 1188 CD GLN A 78 -3.755 14.395 -13.446 1.00 0.00 C ATOM 1189 OE1 GLN A 78 -2.658 14.344 -14.002 1.00 0.00 O ATOM 1190 NE2 GLN A 78 -4.824 14.933 -14.022 1.00 0.00 N ATOM 0 H GLN A 78 -3.281 12.894 -9.561 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.392 11.760 -10.992 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.496 12.292 -11.761 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.757 11.885 -12.909 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.992 13.957 -11.757 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.350 14.413 -11.346 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.715 14.954 -13.525 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.754 15.325 -14.961 1.00 0.00 H new ATOM 1199 N GLU A 79 -2.833 9.730 -10.503 1.00 0.00 N ATOM 1200 CA GLU A 79 -2.425 8.330 -10.541 1.00 0.00 C ATOM 1201 C GLU A 79 -3.108 7.535 -9.432 1.00 0.00 C ATOM 1202 O GLU A 79 -3.494 6.382 -9.628 1.00 0.00 O ATOM 1203 CB GLU A 79 -0.906 8.215 -10.405 1.00 0.00 C ATOM 1204 CG GLU A 79 -0.140 8.946 -11.494 1.00 0.00 C ATOM 1205 CD GLU A 79 1.345 8.638 -11.471 1.00 0.00 C ATOM 1206 OE1 GLU A 79 2.056 9.207 -10.617 1.00 0.00 O ATOM 1207 OE2 GLU A 79 1.795 7.827 -12.307 1.00 0.00 O ATOM 0 H GLU A 79 -2.136 10.363 -10.110 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.729 7.915 -11.502 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.606 8.609 -9.434 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.627 7.161 -10.421 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.549 8.672 -12.467 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -0.286 10.020 -11.377 1.00 0.00 H new ATOM 1214 N TYR A 80 -3.253 8.158 -8.269 1.00 0.00 N ATOM 1215 CA TYR A 80 -3.887 7.508 -7.127 1.00 0.00 C ATOM 1216 C TYR A 80 -5.320 7.103 -7.457 1.00 0.00 C ATOM 1217 O TYR A 80 -5.869 6.180 -6.855 1.00 0.00 O ATOM 1218 CB TYR A 80 -3.875 8.439 -5.913 1.00 0.00 C ATOM 1219 CG TYR A 80 -4.565 7.859 -4.699 1.00 0.00 C ATOM 1220 CD1 TYR A 80 -5.949 7.749 -4.649 1.00 0.00 C ATOM 1221 CD2 TYR A 80 -3.834 7.422 -3.602 1.00 0.00 C ATOM 1222 CE1 TYR A 80 -6.585 7.220 -3.542 1.00 0.00 C ATOM 1223 CE2 TYR A 80 -4.460 6.891 -2.491 1.00 0.00 C ATOM 1224 CZ TYR A 80 -5.836 6.792 -2.466 1.00 0.00 C ATOM 1225 OH TYR A 80 -6.464 6.265 -1.361 1.00 0.00 O ATOM 0 H TYR A 80 -2.940 9.112 -8.091 1.00 0.00 H new ATOM 0 HA TYR A 80 -3.319 6.608 -6.892 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.842 8.674 -5.656 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -4.358 9.378 -6.181 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -6.538 8.083 -5.490 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -2.757 7.499 -3.618 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -7.662 7.142 -3.520 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -3.876 6.555 -1.647 1.00 0.00 H new ATOM 0 HH TYR A 80 -5.791 5.953 -0.720 1.00 0.00 H new ATOM 1235 N ILE A 81 -5.918 7.799 -8.417 1.00 0.00 N ATOM 1236 CA ILE A 81 -7.287 7.511 -8.829 1.00 0.00 C ATOM 1237 C ILE A 81 -7.315 6.512 -9.981 1.00 0.00 C ATOM 1238 O ILE A 81 -7.802 5.391 -9.832 1.00 0.00 O ATOM 1239 CB ILE A 81 -8.027 8.792 -9.258 1.00 0.00 C ATOM 1240 CG1 ILE A 81 -8.623 9.495 -8.037 1.00 0.00 C ATOM 1241 CG2 ILE A 81 -9.114 8.462 -10.269 1.00 0.00 C ATOM 1242 CD1 ILE A 81 -8.771 10.990 -8.212 1.00 0.00 C ATOM 0 H ILE A 81 -5.477 8.566 -8.924 1.00 0.00 H new ATOM 0 HA ILE A 81 -7.793 7.081 -7.965 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.312 9.467 -9.730 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -9.601 9.064 -7.821 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -7.991 9.300 -7.171 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.628 9.377 -10.562 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.665 8.000 -11.148 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -9.829 7.772 -9.822 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -9.200 11.422 -7.307 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -7.793 11.433 -8.397 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -9.428 11.194 -9.058 1.00 0.00 H new ATOM 1254 N ALA A 82 -6.788 6.925 -11.129 1.00 0.00 N ATOM 1255 CA ALA A 82 -6.749 6.065 -12.305 1.00 0.00 C ATOM 1256 C ALA A 82 -6.578 4.602 -11.909 1.00 0.00 C ATOM 1257 O ALA A 82 -7.383 3.749 -12.285 1.00 0.00 O ATOM 1258 CB ALA A 82 -5.627 6.496 -13.237 1.00 0.00 C ATOM 0 H ALA A 82 -6.382 7.850 -11.269 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.700 6.164 -12.829 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.610 5.845 -14.111 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.793 7.525 -13.555 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.673 6.427 -12.714 1.00 0.00 H new ATOM 1264 N VAL A 83 -5.525 4.318 -11.150 1.00 0.00 N ATOM 1265 CA VAL A 83 -5.249 2.957 -10.704 1.00 0.00 C ATOM 1266 C VAL A 83 -6.517 2.274 -10.205 1.00 0.00 C ATOM 1267 O VAL A 83 -6.919 1.232 -10.724 1.00 0.00 O ATOM 1268 CB VAL A 83 -4.193 2.938 -9.582 1.00 0.00 C ATOM 1269 CG1 VAL A 83 -4.519 3.982 -8.525 1.00 0.00 C ATOM 1270 CG2 VAL A 83 -4.099 1.552 -8.963 1.00 0.00 C ATOM 0 H VAL A 83 -4.849 5.012 -10.831 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.863 2.413 -11.566 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.223 3.184 -10.015 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.763 3.954 -7.741 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.531 4.971 -8.982 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.497 3.770 -8.093 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.349 1.557 -8.173 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.066 1.274 -8.544 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.815 0.830 -9.729 1.00 0.00 H new ATOM 1280 N VAL A 84 -7.145 2.869 -9.196 1.00 0.00 N ATOM 1281 CA VAL A 84 -8.370 2.319 -8.627 1.00 0.00 C ATOM 1282 C VAL A 84 -9.381 1.985 -9.718 1.00 0.00 C ATOM 1283 O VAL A 84 -10.279 1.168 -9.519 1.00 0.00 O ATOM 1284 CB VAL A 84 -9.014 3.298 -7.628 1.00 0.00 C ATOM 1285 CG1 VAL A 84 -7.946 3.987 -6.791 1.00 0.00 C ATOM 1286 CG2 VAL A 84 -9.870 4.320 -8.361 1.00 0.00 C ATOM 0 H VAL A 84 -6.826 3.732 -8.756 1.00 0.00 H new ATOM 0 HA VAL A 84 -8.092 1.406 -8.101 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.659 2.732 -6.956 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -8.420 4.675 -6.091 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -7.379 3.239 -6.237 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -7.273 4.541 -7.445 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.318 5.004 -7.640 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.248 4.883 -9.057 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -10.658 3.807 -8.912 1.00 0.00 H new ATOM 1296 N LYS A 85 -9.228 2.623 -10.874 1.00 0.00 N ATOM 1297 CA LYS A 85 -10.126 2.394 -12.000 1.00 0.00 C ATOM 1298 C LYS A 85 -9.757 1.111 -12.737 1.00 0.00 C ATOM 1299 O LYS A 85 -10.629 0.380 -13.208 1.00 0.00 O ATOM 1300 CB LYS A 85 -10.080 3.581 -12.964 1.00 0.00 C ATOM 1301 CG LYS A 85 -10.163 4.931 -12.273 1.00 0.00 C ATOM 1302 CD LYS A 85 -10.150 6.073 -13.275 1.00 0.00 C ATOM 1303 CE LYS A 85 -11.480 6.192 -14.003 1.00 0.00 C ATOM 1304 NZ LYS A 85 -12.472 6.981 -13.220 1.00 0.00 N ATOM 0 H LYS A 85 -8.490 3.303 -11.055 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.139 2.290 -11.611 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -9.156 3.534 -13.541 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -10.903 3.494 -13.673 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -11.074 4.980 -11.676 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -9.325 5.040 -11.585 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -9.932 7.008 -12.759 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.351 5.914 -13.999 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -11.323 6.666 -14.972 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -11.879 5.196 -14.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -13.365 7.039 -13.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -12.642 6.516 -12.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -12.103 7.940 -13.057 1.00 0.00 H new ATOM 1318 N LYS A 86 -8.459 0.842 -12.834 1.00 0.00 N ATOM 1319 CA LYS A 86 -7.974 -0.354 -13.512 1.00 0.00 C ATOM 1320 C LYS A 86 -8.371 -1.612 -12.746 1.00 0.00 C ATOM 1321 O LYS A 86 -8.538 -2.682 -13.334 1.00 0.00 O ATOM 1322 CB LYS A 86 -6.452 -0.297 -13.666 1.00 0.00 C ATOM 1323 CG LYS A 86 -5.985 0.678 -14.733 1.00 0.00 C ATOM 1324 CD LYS A 86 -5.645 2.035 -14.138 1.00 0.00 C ATOM 1325 CE LYS A 86 -5.947 3.162 -15.114 1.00 0.00 C ATOM 1326 NZ LYS A 86 -4.800 3.431 -16.024 1.00 0.00 N ATOM 0 H LYS A 86 -7.724 1.437 -12.451 1.00 0.00 H new ATOM 0 HA LYS A 86 -8.432 -0.392 -14.501 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.009 -0.017 -12.710 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.082 -1.293 -13.909 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.109 0.272 -15.240 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.764 0.795 -15.486 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.214 2.184 -13.220 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.590 2.060 -13.866 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.826 2.905 -15.705 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.190 4.068 -14.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.046 4.205 -16.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.967 3.701 -15.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.584 2.574 -16.573 1.00 0.00 H new ATOM 1340 N LEU A 87 -8.522 -1.477 -11.433 1.00 0.00 N ATOM 1341 CA LEU A 87 -8.901 -2.603 -10.587 1.00 0.00 C ATOM 1342 C LEU A 87 -10.413 -2.807 -10.597 1.00 0.00 C ATOM 1343 O LEU A 87 -10.896 -3.939 -10.576 1.00 0.00 O ATOM 1344 CB LEU A 87 -8.415 -2.377 -9.154 1.00 0.00 C ATOM 1345 CG LEU A 87 -7.074 -1.657 -9.007 1.00 0.00 C ATOM 1346 CD1 LEU A 87 -6.931 -1.077 -7.608 1.00 0.00 C ATOM 1347 CD2 LEU A 87 -5.924 -2.605 -9.313 1.00 0.00 C ATOM 0 H LEU A 87 -8.388 -0.599 -10.931 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.429 -3.500 -10.987 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.173 -1.804 -8.620 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.341 -3.346 -8.659 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.043 -0.836 -9.724 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.971 -0.568 -7.521 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.736 -0.366 -7.425 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.983 -1.881 -6.874 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.977 -2.076 -9.204 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.952 -3.446 -8.620 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.018 -2.973 -10.335 1.00 0.00 H new ATOM 1359 N ASP A 88 -11.153 -1.705 -10.632 1.00 0.00 N ATOM 1360 CA ASP A 88 -12.610 -1.762 -10.649 1.00 0.00 C ATOM 1361 C ASP A 88 -13.179 -0.807 -11.693 1.00 0.00 C ATOM 1362 O ASP A 88 -13.399 0.376 -11.433 1.00 0.00 O ATOM 1363 CB ASP A 88 -13.171 -1.421 -9.268 1.00 0.00 C ATOM 1364 CG ASP A 88 -14.684 -1.503 -9.221 1.00 0.00 C ATOM 1365 OD1 ASP A 88 -15.235 -2.546 -9.630 1.00 0.00 O ATOM 1366 OD2 ASP A 88 -15.317 -0.524 -8.774 1.00 0.00 O ATOM 0 H ASP A 88 -10.768 -0.761 -10.649 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.906 -2.777 -10.912 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -12.750 -2.103 -8.530 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -12.856 -0.416 -8.989 1.00 0.00 H new ATOM 1371 N PRO A 89 -13.424 -1.331 -12.904 1.00 0.00 N ATOM 1372 CA PRO A 89 -13.971 -0.542 -14.012 1.00 0.00 C ATOM 1373 C PRO A 89 -15.425 -0.147 -13.780 1.00 0.00 C ATOM 1374 O PRO A 89 -15.991 0.645 -14.532 1.00 0.00 O ATOM 1375 CB PRO A 89 -13.857 -1.487 -15.210 1.00 0.00 C ATOM 1376 CG PRO A 89 -13.871 -2.854 -14.617 1.00 0.00 C ATOM 1377 CD PRO A 89 -13.186 -2.733 -13.284 1.00 0.00 C ATOM 0 HA PRO A 89 -13.439 0.400 -14.143 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -14.686 -1.348 -15.904 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -12.939 -1.308 -15.770 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -14.892 -3.218 -14.500 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -13.351 -3.564 -15.260 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -13.605 -3.424 -12.553 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -12.121 -2.954 -13.358 1.00 0.00 H new ATOM 1385 N GLY A 90 -16.026 -0.705 -12.733 1.00 0.00 N ATOM 1386 CA GLY A 90 -17.410 -0.399 -12.421 1.00 0.00 C ATOM 1387 C GLY A 90 -17.547 0.818 -11.528 1.00 0.00 C ATOM 1388 O GLY A 90 -18.650 1.323 -11.322 1.00 0.00 O ATOM 0 H GLY A 90 -15.579 -1.364 -12.095 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -17.959 -0.230 -13.347 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -17.868 -1.259 -11.931 1.00 0.00 H new ATOM 1392 N TRP A 91 -16.425 1.288 -10.995 1.00 0.00 N ATOM 1393 CA TRP A 91 -16.425 2.452 -10.116 1.00 0.00 C ATOM 1394 C TRP A 91 -16.770 3.719 -10.892 1.00 0.00 C ATOM 1395 O TRP A 91 -16.129 4.039 -11.892 1.00 0.00 O ATOM 1396 CB TRP A 91 -15.062 2.608 -9.441 1.00 0.00 C ATOM 1397 CG TRP A 91 -14.961 3.831 -8.581 1.00 0.00 C ATOM 1398 CD1 TRP A 91 -15.779 4.173 -7.542 1.00 0.00 C ATOM 1399 CD2 TRP A 91 -13.988 4.876 -8.689 1.00 0.00 C ATOM 1400 NE1 TRP A 91 -15.373 5.367 -6.997 1.00 0.00 N ATOM 1401 CE2 TRP A 91 -14.276 5.818 -7.682 1.00 0.00 C ATOM 1402 CE3 TRP A 91 -12.900 5.106 -9.536 1.00 0.00 C ATOM 1403 CZ2 TRP A 91 -13.515 6.971 -7.503 1.00 0.00 C ATOM 1404 CZ3 TRP A 91 -12.147 6.251 -9.357 1.00 0.00 C ATOM 1405 CH2 TRP A 91 -12.457 7.171 -8.346 1.00 0.00 C ATOM 0 H TRP A 91 -15.504 0.881 -11.156 1.00 0.00 H new ATOM 0 HA TRP A 91 -17.185 2.298 -9.350 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -14.864 1.727 -8.831 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -14.288 2.646 -10.207 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -16.621 3.590 -7.199 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -15.816 5.841 -6.210 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -12.652 4.402 -10.316 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -13.752 7.682 -6.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -11.306 6.440 -10.007 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -11.848 8.055 -8.230 1.00 0.00 H new