USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 528 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 HIS : no HD1:sc= -8.36! C(o=-7.1!,f=-15!) USER MOD Set 1.2: A 54 TYR OH : rot -125:sc= 1.3 USER MOD Single : A 12 THR OG1 : rot 4:sc= 0.22 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.267 X(o=-0.27,f=-0.016) USER MOD Single : A 27 LYS NZ :NH3+ -145:sc= -0.299 (180deg=-1.79!) USER MOD Single : A 29 TYR OH : rot -31:sc= 0.448 USER MOD Single : A 31 SER OG : rot -80:sc= 0.314 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 141:sc= 1.23 (180deg=1.01) USER MOD Single : A 43 MET CE :methyl -165:sc= -0.809 (180deg=-1.78) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= -0.275 X(o=-0.27,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0.272 K(o=0.27,f=-8.2!) USER MOD ----------------------------------------------------------------- ATOM 39 N PRO A 9 -4.670 -0.892 -10.801 1.00 0.00 N ATOM 40 CA PRO A 9 -3.654 -1.792 -10.317 1.00 0.00 C ATOM 41 C PRO A 9 -3.396 -1.583 -8.835 1.00 0.00 C ATOM 42 O PRO A 9 -2.646 -0.684 -8.431 1.00 0.00 O ATOM 43 CB PRO A 9 -2.402 -1.446 -11.142 1.00 0.00 C ATOM 44 CG PRO A 9 -2.831 -0.366 -12.086 1.00 0.00 C ATOM 45 CD PRO A 9 -4.083 0.232 -11.517 1.00 0.00 C ATOM 0 HA PRO A 9 -3.948 -2.836 -10.427 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.590 -1.106 -10.499 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.036 -2.318 -11.684 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.053 0.390 -12.188 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.014 -0.772 -13.081 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.868 1.069 -10.853 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.745 0.607 -12.298 1.00 0.00 H new ATOM 53 N GLY A 10 -4.104 -2.329 -8.043 1.00 0.00 N ATOM 54 CA GLY A 10 -3.910 -2.292 -6.632 1.00 0.00 C ATOM 55 C GLY A 10 -3.002 -3.416 -6.191 1.00 0.00 C ATOM 56 O GLY A 10 -2.365 -4.052 -7.034 1.00 0.00 O ATOM 0 H GLY A 10 -4.827 -2.976 -8.357 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.478 -1.334 -6.344 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.871 -2.374 -6.125 1.00 0.00 H new ATOM 60 N ILE A 11 -2.997 -3.686 -4.876 1.00 0.00 N ATOM 61 CA ILE A 11 -2.140 -4.711 -4.230 1.00 0.00 C ATOM 62 C ILE A 11 -2.104 -6.002 -5.056 1.00 0.00 C ATOM 63 O ILE A 11 -3.086 -6.746 -5.110 1.00 0.00 O ATOM 64 CB ILE A 11 -2.649 -5.068 -2.795 1.00 0.00 C ATOM 65 CG1 ILE A 11 -2.922 -3.793 -1.969 1.00 0.00 C ATOM 66 CG2 ILE A 11 -1.636 -5.963 -2.078 1.00 0.00 C ATOM 67 CD1 ILE A 11 -3.505 -4.053 -0.590 1.00 0.00 C ATOM 0 H ILE A 11 -3.597 -3.193 -4.214 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.141 -4.280 -4.166 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.588 -5.612 -2.895 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.989 -3.240 -1.858 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.607 -3.154 -2.526 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.004 -6.203 -1.081 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.498 -6.884 -2.645 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.683 -5.441 -1.997 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.666 -3.104 -0.078 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.456 -4.577 -0.690 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.812 -4.665 -0.012 1.00 0.00 H new ATOM 79 N THR A 12 -0.998 -6.209 -5.747 1.00 0.00 N ATOM 80 CA THR A 12 -0.820 -7.386 -6.569 1.00 0.00 C ATOM 81 C THR A 12 -0.044 -8.478 -5.775 1.00 0.00 C ATOM 82 O THR A 12 0.299 -9.533 -6.301 1.00 0.00 O ATOM 83 CB THR A 12 -0.061 -6.986 -7.860 1.00 0.00 C ATOM 84 OG1 THR A 12 -0.634 -5.761 -8.373 1.00 0.00 O ATOM 85 CG2 THR A 12 -0.193 -8.053 -8.939 1.00 0.00 C ATOM 0 H THR A 12 -0.204 -5.569 -5.753 1.00 0.00 H new ATOM 0 HA THR A 12 -1.790 -7.801 -6.844 1.00 0.00 H new ATOM 0 HB THR A 12 0.993 -6.865 -7.610 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.318 -5.434 -7.752 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.351 -7.739 -9.830 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.220 -8.993 -8.574 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.245 -8.191 -9.187 1.00 0.00 H new ATOM 93 N PHE A 13 0.226 -8.178 -4.491 1.00 0.00 N ATOM 94 CA PHE A 13 0.898 -9.104 -3.545 1.00 0.00 C ATOM 95 C PHE A 13 2.402 -9.297 -3.882 1.00 0.00 C ATOM 96 O PHE A 13 3.087 -10.099 -3.291 1.00 0.00 O ATOM 97 CB PHE A 13 0.107 -10.458 -3.451 1.00 0.00 C ATOM 98 CG PHE A 13 0.642 -11.477 -2.477 1.00 0.00 C ATOM 99 CD1 PHE A 13 0.413 -11.345 -1.124 1.00 0.00 C ATOM 100 CD2 PHE A 13 1.373 -12.568 -2.923 1.00 0.00 C ATOM 101 CE1 PHE A 13 0.902 -12.276 -0.233 1.00 0.00 C ATOM 102 CE2 PHE A 13 1.864 -13.502 -2.034 1.00 0.00 C ATOM 103 CZ PHE A 13 1.629 -13.355 -0.688 1.00 0.00 C ATOM 0 H PHE A 13 -0.016 -7.280 -4.072 1.00 0.00 H new ATOM 0 HA PHE A 13 0.883 -8.652 -2.553 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.925 -10.234 -3.180 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.084 -10.911 -4.442 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -0.156 -10.503 -0.758 1.00 0.00 H new ATOM 0 HD2 PHE A 13 1.560 -12.688 -3.980 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.715 -12.160 0.824 1.00 0.00 H new ATOM 0 HE2 PHE A 13 2.432 -14.347 -2.395 1.00 0.00 H new ATOM 0 HZ PHE A 13 2.013 -14.083 0.011 1.00 0.00 H new ATOM 113 N GLU A 14 2.905 -8.497 -4.771 1.00 0.00 N ATOM 114 CA GLU A 14 4.297 -8.597 -5.202 1.00 0.00 C ATOM 115 C GLU A 14 5.115 -7.414 -4.673 1.00 0.00 C ATOM 116 O GLU A 14 4.630 -6.279 -4.661 1.00 0.00 O ATOM 117 CB GLU A 14 4.360 -8.627 -6.731 1.00 0.00 C ATOM 118 CG GLU A 14 3.722 -9.853 -7.376 1.00 0.00 C ATOM 119 CD GLU A 14 4.477 -11.129 -7.083 1.00 0.00 C ATOM 120 OE1 GLU A 14 5.427 -11.450 -7.817 1.00 0.00 O ATOM 121 OE2 GLU A 14 4.138 -11.843 -6.124 1.00 0.00 O ATOM 0 H GLU A 14 2.378 -7.753 -5.227 1.00 0.00 H new ATOM 0 HA GLU A 14 4.721 -9.517 -4.800 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.869 -7.734 -7.118 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.405 -8.575 -7.038 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.697 -9.953 -7.020 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.672 -9.706 -8.455 1.00 0.00 H new ATOM 128 N ILE A 15 6.334 -7.673 -4.220 1.00 0.00 N ATOM 129 CA ILE A 15 7.225 -6.606 -3.777 1.00 0.00 C ATOM 130 C ILE A 15 7.597 -5.733 -4.976 1.00 0.00 C ATOM 131 O ILE A 15 8.169 -6.217 -5.964 1.00 0.00 O ATOM 132 CB ILE A 15 8.519 -7.144 -3.071 1.00 0.00 C ATOM 133 CG1 ILE A 15 8.182 -7.772 -1.705 1.00 0.00 C ATOM 134 CG2 ILE A 15 9.550 -6.032 -2.899 1.00 0.00 C ATOM 135 CD1 ILE A 15 9.370 -8.387 -0.986 1.00 0.00 C ATOM 0 H ILE A 15 6.729 -8.611 -4.149 1.00 0.00 H new ATOM 0 HA ILE A 15 6.690 -6.018 -3.031 1.00 0.00 H new ATOM 0 HB ILE A 15 8.947 -7.916 -3.710 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.743 -7.006 -1.066 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.423 -8.541 -1.850 1.00 0.00 H new ATOM 0 HG21 ILE A 15 10.437 -6.431 -2.407 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.824 -5.636 -3.877 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.126 -5.234 -2.290 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.043 -8.805 -0.034 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.798 -9.178 -1.602 1.00 0.00 H new ATOM 0 HD13 ILE A 15 10.123 -7.620 -0.805 1.00 0.00 H new ATOM 147 N GLY A 16 7.263 -4.478 -4.895 1.00 0.00 N ATOM 148 CA GLY A 16 7.504 -3.564 -5.970 1.00 0.00 C ATOM 149 C GLY A 16 6.267 -3.323 -6.793 1.00 0.00 C ATOM 150 O GLY A 16 6.286 -2.522 -7.729 1.00 0.00 O ATOM 0 H GLY A 16 6.815 -4.060 -4.080 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.862 -2.616 -5.567 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.294 -3.957 -6.610 1.00 0.00 H new ATOM 154 N ALA A 17 5.197 -4.020 -6.470 1.00 0.00 N ATOM 155 CA ALA A 17 3.949 -3.830 -7.171 1.00 0.00 C ATOM 156 C ALA A 17 3.242 -2.612 -6.631 1.00 0.00 C ATOM 157 O ALA A 17 3.361 -2.291 -5.430 1.00 0.00 O ATOM 158 CB ALA A 17 3.057 -5.055 -7.056 1.00 0.00 C ATOM 0 H ALA A 17 5.169 -4.720 -5.729 1.00 0.00 H new ATOM 0 HA ALA A 17 4.169 -3.680 -8.228 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.126 -4.879 -7.595 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.567 -5.918 -7.485 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.838 -5.248 -6.006 1.00 0.00 H new ATOM 164 N ARG A 18 2.536 -1.940 -7.498 1.00 0.00 N ATOM 165 CA ARG A 18 1.805 -0.762 -7.164 1.00 0.00 C ATOM 166 C ARG A 18 0.428 -1.141 -6.658 1.00 0.00 C ATOM 167 O ARG A 18 -0.207 -2.058 -7.179 1.00 0.00 O ATOM 168 CB ARG A 18 1.744 0.186 -8.377 1.00 0.00 C ATOM 169 CG ARG A 18 1.219 -0.464 -9.654 1.00 0.00 C ATOM 170 CD ARG A 18 1.391 0.434 -10.865 1.00 0.00 C ATOM 171 NE ARG A 18 0.571 1.648 -10.805 1.00 0.00 N ATOM 172 CZ ARG A 18 0.888 2.815 -11.377 1.00 0.00 C ATOM 173 NH1 ARG A 18 2.108 3.024 -11.861 1.00 0.00 N ATOM 174 NH2 ARG A 18 -0.016 3.772 -11.446 1.00 0.00 N ATOM 0 H ARG A 18 2.455 -2.208 -8.479 1.00 0.00 H new ATOM 0 HA ARG A 18 2.313 -0.225 -6.363 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.109 1.036 -8.128 1.00 0.00 H new ATOM 0 HB3 ARG A 18 2.743 0.579 -8.567 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.743 -1.404 -9.823 1.00 0.00 H new ATOM 0 HG3 ARG A 18 0.163 -0.706 -9.530 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.440 0.716 -10.954 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.134 -0.126 -11.764 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.307 1.599 -10.288 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.814 2.291 -11.798 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.338 3.918 -12.295 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.950 3.620 -11.065 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.218 4.665 -11.881 1.00 0.00 H new ATOM 188 N LEU A 19 0.023 -0.484 -5.625 1.00 0.00 N ATOM 189 CA LEU A 19 -1.236 -0.692 -4.979 1.00 0.00 C ATOM 190 C LEU A 19 -1.910 0.649 -4.780 1.00 0.00 C ATOM 191 O LEU A 19 -1.325 1.678 -5.113 1.00 0.00 O ATOM 192 CB LEU A 19 -1.009 -1.445 -3.643 1.00 0.00 C ATOM 193 CG LEU A 19 -0.044 -0.832 -2.607 1.00 0.00 C ATOM 194 CD1 LEU A 19 -0.661 0.338 -1.886 1.00 0.00 C ATOM 195 CD2 LEU A 19 0.396 -1.877 -1.614 1.00 0.00 C ATOM 0 H LEU A 19 0.583 0.246 -5.185 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.894 -1.309 -5.591 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.979 -1.565 -3.161 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.646 -2.444 -3.883 1.00 0.00 H new ATOM 0 HG LEU A 19 0.825 -0.465 -3.152 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.052 0.739 -1.166 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.923 1.112 -2.607 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.559 0.010 -1.363 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.076 -1.428 -0.890 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.476 -2.275 -1.094 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.906 -2.685 -2.138 1.00 0.00 H new ATOM 207 N GLU A 20 -3.101 0.675 -4.224 1.00 0.00 N ATOM 208 CA GLU A 20 -3.761 1.951 -4.030 1.00 0.00 C ATOM 209 C GLU A 20 -3.910 2.276 -2.561 1.00 0.00 C ATOM 210 O GLU A 20 -4.423 1.470 -1.810 1.00 0.00 O ATOM 211 CB GLU A 20 -5.115 1.943 -4.698 1.00 0.00 C ATOM 212 CG GLU A 20 -5.061 1.860 -6.204 1.00 0.00 C ATOM 213 CD GLU A 20 -6.427 1.852 -6.815 1.00 0.00 C ATOM 214 OE1 GLU A 20 -7.003 2.939 -7.059 1.00 0.00 O ATOM 215 OE2 GLU A 20 -6.961 0.783 -7.059 1.00 0.00 O ATOM 0 H GLU A 20 -3.621 -0.143 -3.906 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.140 2.722 -4.485 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.690 1.098 -4.319 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.653 2.847 -4.414 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.495 2.706 -6.593 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.527 0.956 -6.498 1.00 0.00 H new ATOM 222 N ALA A 21 -3.422 3.425 -2.151 1.00 0.00 N ATOM 223 CA ALA A 21 -3.605 3.889 -0.778 1.00 0.00 C ATOM 224 C ALA A 21 -4.419 5.165 -0.791 1.00 0.00 C ATOM 225 O ALA A 21 -4.146 6.032 -1.601 1.00 0.00 O ATOM 226 CB ALA A 21 -2.260 4.144 -0.124 1.00 0.00 C ATOM 0 H ALA A 21 -2.892 4.063 -2.745 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.129 3.123 -0.206 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.412 4.489 0.899 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.680 3.221 -0.113 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.720 4.905 -0.687 1.00 0.00 H new ATOM 232 N LEU A 22 -5.422 5.257 0.087 1.00 0.00 N ATOM 233 CA LEU A 22 -6.314 6.428 0.219 1.00 0.00 C ATOM 234 C LEU A 22 -5.699 7.306 1.242 1.00 0.00 C ATOM 235 O LEU A 22 -6.088 7.293 2.407 1.00 0.00 O ATOM 236 CB LEU A 22 -7.715 5.987 0.733 1.00 0.00 C ATOM 237 CG LEU A 22 -8.938 6.952 0.639 1.00 0.00 C ATOM 238 CD1 LEU A 22 -10.121 6.378 1.382 1.00 0.00 C ATOM 239 CD2 LEU A 22 -8.672 8.359 1.115 1.00 0.00 C ATOM 0 H LEU A 22 -5.647 4.508 0.742 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.436 6.927 -0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.982 5.077 0.195 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.601 5.715 1.782 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.155 7.033 -0.426 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.965 7.063 1.307 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.393 5.417 0.946 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.859 6.239 2.431 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.578 8.955 1.012 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.369 8.338 2.162 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.876 8.802 0.516 1.00 0.00 H new ATOM 251 N ASP A 23 -4.768 8.055 0.863 1.00 0.00 N ATOM 252 CA ASP A 23 -4.090 8.828 1.852 1.00 0.00 C ATOM 253 C ASP A 23 -3.788 10.170 1.406 1.00 0.00 C ATOM 254 O ASP A 23 -4.068 10.517 0.200 1.00 0.00 O ATOM 255 CB ASP A 23 -2.821 8.170 2.365 1.00 0.00 C ATOM 256 CG ASP A 23 -3.055 7.058 3.347 1.00 0.00 C ATOM 257 OD1 ASP A 23 -3.455 7.364 4.501 1.00 0.00 O ATOM 258 OD2 ASP A 23 -2.843 5.883 3.005 1.00 0.00 O ATOM 0 H ASP A 23 -4.443 8.167 -0.097 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.798 8.887 2.678 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -2.261 7.778 1.516 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -2.197 8.929 2.836 1.00 0.00 H new ATOM 263 N TYR A 24 -3.299 10.939 2.424 1.00 0.00 N ATOM 264 CA TYR A 24 -2.776 12.310 2.414 1.00 0.00 C ATOM 265 C TYR A 24 -3.670 13.289 1.688 1.00 0.00 C ATOM 266 O TYR A 24 -4.334 14.120 2.298 1.00 0.00 O ATOM 267 CB TYR A 24 -1.314 12.333 1.918 1.00 0.00 C ATOM 268 CG TYR A 24 -0.589 13.659 2.094 1.00 0.00 C ATOM 269 CD1 TYR A 24 -0.753 14.422 3.243 1.00 0.00 C ATOM 270 CD2 TYR A 24 0.259 14.144 1.111 1.00 0.00 C ATOM 271 CE1 TYR A 24 -0.096 15.622 3.404 1.00 0.00 C ATOM 272 CE2 TYR A 24 0.924 15.343 1.263 1.00 0.00 C ATOM 273 CZ TYR A 24 0.741 16.079 2.409 1.00 0.00 C ATOM 274 OH TYR A 24 1.411 17.280 2.572 1.00 0.00 O ATOM 0 H TYR A 24 -3.265 10.556 3.369 1.00 0.00 H new ATOM 0 HA TYR A 24 -2.775 12.663 3.445 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.756 11.560 2.446 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -1.302 12.069 0.861 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.408 14.068 4.025 1.00 0.00 H new ATOM 0 HD2 TYR A 24 0.402 13.571 0.207 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -0.236 16.201 4.305 1.00 0.00 H new ATOM 0 HE2 TYR A 24 1.584 15.701 0.487 1.00 0.00 H new ATOM 0 HH TYR A 24 1.961 17.458 1.781 1.00 0.00 H new ATOM 284 N LEU A 25 -3.733 13.135 0.415 1.00 0.00 N ATOM 285 CA LEU A 25 -4.521 13.970 -0.448 1.00 0.00 C ATOM 286 C LEU A 25 -5.918 13.379 -0.495 1.00 0.00 C ATOM 287 O LEU A 25 -6.818 13.927 -1.130 1.00 0.00 O ATOM 288 CB LEU A 25 -3.947 13.980 -1.893 1.00 0.00 C ATOM 289 CG LEU A 25 -2.406 14.009 -2.110 1.00 0.00 C ATOM 290 CD1 LEU A 25 -1.774 15.152 -1.362 1.00 0.00 C ATOM 291 CD2 LEU A 25 -1.727 12.661 -1.766 1.00 0.00 C ATOM 0 H LEU A 25 -3.224 12.403 -0.081 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.518 14.991 -0.067 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.331 13.096 -2.402 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.364 14.848 -2.403 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.243 14.170 -3.176 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.697 15.147 -1.532 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.193 16.094 -1.715 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.973 15.044 -0.296 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.653 12.740 -1.936 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.911 12.417 -0.720 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.138 11.875 -2.399 1.00 0.00 H new ATOM 303 N GLN A 26 -6.044 12.206 0.135 1.00 0.00 N ATOM 304 CA GLN A 26 -7.234 11.431 0.186 1.00 0.00 C ATOM 305 C GLN A 26 -7.558 10.937 -1.126 1.00 0.00 C ATOM 306 O GLN A 26 -8.700 11.001 -1.610 1.00 0.00 O ATOM 307 CB GLN A 26 -8.380 12.107 0.789 1.00 0.00 C ATOM 308 CG GLN A 26 -8.555 11.808 2.251 1.00 0.00 C ATOM 309 CD GLN A 26 -7.336 12.161 3.079 1.00 0.00 C ATOM 310 OE1 GLN A 26 -7.197 13.279 3.566 1.00 0.00 O ATOM 311 NE2 GLN A 26 -6.474 11.200 3.291 1.00 0.00 N ATOM 0 H GLN A 26 -5.269 11.774 0.638 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.018 10.599 0.856 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.266 13.183 0.658 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.285 11.815 0.256 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.416 12.360 2.628 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.777 10.748 2.375 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.620 10.282 2.871 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -5.656 11.369 3.877 1.00 0.00 H new ATOM 320 N LYS A 27 -6.587 10.420 -1.706 1.00 0.00 N ATOM 321 CA LYS A 27 -6.745 9.898 -2.981 1.00 0.00 C ATOM 322 C LYS A 27 -6.226 8.548 -2.929 1.00 0.00 C ATOM 323 O LYS A 27 -5.428 8.249 -2.033 1.00 0.00 O ATOM 324 CB LYS A 27 -5.968 10.709 -3.990 1.00 0.00 C ATOM 325 CG LYS A 27 -4.517 10.791 -3.647 1.00 0.00 C ATOM 326 CD LYS A 27 -3.612 11.202 -4.820 1.00 0.00 C ATOM 327 CE LYS A 27 -3.710 12.690 -5.218 1.00 0.00 C ATOM 328 NZ LYS A 27 -5.026 13.096 -5.771 1.00 0.00 N ATOM 0 H LYS A 27 -5.648 10.341 -1.316 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.791 9.918 -3.285 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.082 10.263 -4.978 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.385 11.715 -4.044 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.387 11.507 -2.835 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.189 9.821 -3.272 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.578 10.977 -4.560 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.863 10.591 -5.687 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.494 13.302 -4.342 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.938 12.907 -5.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.885 13.815 -6.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.501 12.267 -6.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.615 13.491 -5.011 1.00 0.00 H new ATOM 342 N TRP A 28 -6.683 7.742 -3.808 1.00 0.00 N ATOM 343 CA TRP A 28 -6.177 6.436 -3.965 1.00 0.00 C ATOM 344 C TRP A 28 -5.011 6.523 -4.910 1.00 0.00 C ATOM 345 O TRP A 28 -5.175 6.498 -6.132 1.00 0.00 O ATOM 346 CB TRP A 28 -7.256 5.508 -4.490 1.00 0.00 C ATOM 347 CG TRP A 28 -8.365 5.279 -3.511 1.00 0.00 C ATOM 348 CD1 TRP A 28 -9.537 5.959 -3.396 1.00 0.00 C ATOM 349 CD2 TRP A 28 -8.366 4.303 -2.493 1.00 0.00 C ATOM 350 NE1 TRP A 28 -10.295 5.414 -2.378 1.00 0.00 N ATOM 351 CE2 TRP A 28 -9.583 4.388 -1.805 1.00 0.00 C ATOM 352 CE3 TRP A 28 -7.455 3.361 -2.116 1.00 0.00 C ATOM 353 CZ2 TRP A 28 -9.892 3.524 -0.734 1.00 0.00 C ATOM 354 CZ3 TRP A 28 -7.742 2.530 -1.080 1.00 0.00 C ATOM 355 CH2 TRP A 28 -8.935 2.592 -0.394 1.00 0.00 C ATOM 0 H TRP A 28 -7.437 7.978 -4.453 1.00 0.00 H new ATOM 0 HA TRP A 28 -5.851 6.024 -3.010 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -7.671 5.926 -5.407 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -6.807 4.550 -4.751 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -9.831 6.799 -4.008 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -11.227 5.721 -2.099 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -6.513 3.276 -2.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -10.832 3.589 -0.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -7.009 1.795 -0.784 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -9.122 1.904 0.417 1.00 0.00 H new ATOM 366 N TYR A 29 -3.862 6.737 -4.356 1.00 0.00 N ATOM 367 CA TYR A 29 -2.677 6.944 -5.132 1.00 0.00 C ATOM 368 C TYR A 29 -1.845 5.684 -5.166 1.00 0.00 C ATOM 369 O TYR A 29 -1.791 4.936 -4.163 1.00 0.00 O ATOM 370 CB TYR A 29 -1.881 8.169 -4.606 1.00 0.00 C ATOM 371 CG TYR A 29 -1.392 8.078 -3.176 1.00 0.00 C ATOM 372 CD1 TYR A 29 -0.141 7.561 -2.860 1.00 0.00 C ATOM 373 CD2 TYR A 29 -2.173 8.552 -2.152 1.00 0.00 C ATOM 374 CE1 TYR A 29 0.302 7.531 -1.555 1.00 0.00 C ATOM 375 CE2 TYR A 29 -1.751 8.516 -0.861 1.00 0.00 C ATOM 376 CZ TYR A 29 -0.508 8.008 -0.559 1.00 0.00 C ATOM 377 OH TYR A 29 -0.071 7.985 0.738 1.00 0.00 O ATOM 0 H TYR A 29 -3.715 6.774 -3.347 1.00 0.00 H new ATOM 0 HA TYR A 29 -2.959 7.171 -6.160 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.019 8.323 -5.255 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -2.511 9.054 -4.698 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.492 7.178 -3.647 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.146 8.963 -2.378 1.00 0.00 H new ATOM 0 HE1 TYR A 29 1.279 7.135 -1.320 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -2.390 8.886 -0.073 1.00 0.00 H new ATOM 0 HH TYR A 29 0.528 7.220 0.868 1.00 0.00 H new ATOM 387 N PRO A 30 -1.241 5.389 -6.325 1.00 0.00 N ATOM 388 CA PRO A 30 -0.385 4.232 -6.490 1.00 0.00 C ATOM 389 C PRO A 30 0.805 4.282 -5.562 1.00 0.00 C ATOM 390 O PRO A 30 1.688 5.155 -5.673 1.00 0.00 O ATOM 391 CB PRO A 30 0.065 4.290 -7.947 1.00 0.00 C ATOM 392 CG PRO A 30 -0.962 5.136 -8.612 1.00 0.00 C ATOM 393 CD PRO A 30 -1.374 6.144 -7.584 1.00 0.00 C ATOM 0 HA PRO A 30 -0.909 3.307 -6.249 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.060 4.725 -8.040 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.109 3.295 -8.390 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.556 5.623 -9.499 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -1.813 4.538 -8.938 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -0.732 7.024 -7.599 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.395 6.491 -7.743 1.00 0.00 H new ATOM 401 N SER A 31 0.779 3.407 -4.633 1.00 0.00 N ATOM 402 CA SER A 31 1.812 3.239 -3.678 1.00 0.00 C ATOM 403 C SER A 31 2.435 1.893 -3.994 1.00 0.00 C ATOM 404 O SER A 31 1.883 1.166 -4.782 1.00 0.00 O ATOM 405 CB SER A 31 1.187 3.267 -2.303 1.00 0.00 C ATOM 406 OG SER A 31 0.382 4.419 -2.165 1.00 0.00 O ATOM 0 H SER A 31 0.003 2.756 -4.508 1.00 0.00 H new ATOM 0 HA SER A 31 2.573 4.019 -3.707 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.585 2.371 -2.149 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.965 3.263 -1.540 1.00 0.00 H new ATOM 0 HG SER A 31 0.949 5.192 -1.962 1.00 0.00 H new ATOM 412 N ARG A 32 3.547 1.554 -3.437 1.00 0.00 N ATOM 413 CA ARG A 32 4.188 0.311 -3.847 1.00 0.00 C ATOM 414 C ARG A 32 4.448 -0.587 -2.649 1.00 0.00 C ATOM 415 O ARG A 32 4.453 -0.122 -1.532 1.00 0.00 O ATOM 416 CB ARG A 32 5.508 0.644 -4.555 1.00 0.00 C ATOM 417 CG ARG A 32 5.351 1.648 -5.658 1.00 0.00 C ATOM 418 CD ARG A 32 6.643 1.961 -6.374 1.00 0.00 C ATOM 419 NE ARG A 32 6.400 2.872 -7.495 1.00 0.00 N ATOM 420 CZ ARG A 32 7.275 3.203 -8.450 1.00 0.00 C ATOM 421 NH1 ARG A 32 8.531 2.767 -8.404 1.00 0.00 N ATOM 422 NH2 ARG A 32 6.896 4.009 -9.428 1.00 0.00 N ATOM 0 H ARG A 32 4.034 2.088 -2.717 1.00 0.00 H new ATOM 0 HA ARG A 32 3.526 -0.225 -4.528 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.219 1.027 -3.823 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.934 -0.272 -4.964 1.00 0.00 H new ATOM 0 HG2 ARG A 32 4.626 1.273 -6.380 1.00 0.00 H new ATOM 0 HG3 ARG A 32 4.941 2.570 -5.245 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.351 2.411 -5.679 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.096 1.039 -6.738 1.00 0.00 H new ATOM 0 HE ARG A 32 5.474 3.295 -7.553 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.837 2.173 -7.633 1.00 0.00 H new ATOM 0 HH12 ARG A 32 9.188 3.027 -9.139 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.943 4.372 -9.449 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.557 4.267 -10.161 1.00 0.00 H new ATOM 436 N ILE A 33 4.659 -1.855 -2.876 1.00 0.00 N ATOM 437 CA ILE A 33 5.014 -2.770 -1.788 1.00 0.00 C ATOM 438 C ILE A 33 6.549 -2.831 -1.630 1.00 0.00 C ATOM 439 O ILE A 33 7.257 -2.964 -2.610 1.00 0.00 O ATOM 440 CB ILE A 33 4.464 -4.207 -2.038 1.00 0.00 C ATOM 441 CG1 ILE A 33 2.937 -4.172 -2.200 1.00 0.00 C ATOM 442 CG2 ILE A 33 4.858 -5.140 -0.894 1.00 0.00 C ATOM 443 CD1 ILE A 33 2.293 -5.524 -2.453 1.00 0.00 C ATOM 0 H ILE A 33 4.595 -2.292 -3.796 1.00 0.00 H new ATOM 0 HA ILE A 33 4.559 -2.386 -0.875 1.00 0.00 H new ATOM 0 HB ILE A 33 4.904 -4.590 -2.959 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.500 -3.740 -1.300 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.688 -3.506 -3.027 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.465 -6.138 -1.087 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.944 -5.186 -0.820 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.446 -4.762 0.042 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.215 -5.400 -2.554 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.696 -5.953 -3.370 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.505 -6.190 -1.617 1.00 0.00 H new ATOM 455 N GLU A 34 7.031 -2.662 -0.414 1.00 0.00 N ATOM 456 CA GLU A 34 8.456 -2.765 -0.092 1.00 0.00 C ATOM 457 C GLU A 34 8.802 -4.145 0.460 1.00 0.00 C ATOM 458 O GLU A 34 9.706 -4.799 -0.024 1.00 0.00 O ATOM 459 CB GLU A 34 8.900 -1.662 0.899 1.00 0.00 C ATOM 460 CG GLU A 34 9.566 -0.482 0.254 1.00 0.00 C ATOM 461 CD GLU A 34 10.795 -0.889 -0.534 1.00 0.00 C ATOM 462 OE1 GLU A 34 10.656 -1.282 -1.701 1.00 0.00 O ATOM 463 OE2 GLU A 34 11.908 -0.829 0.012 1.00 0.00 O ATOM 0 H GLU A 34 6.445 -2.447 0.392 1.00 0.00 H new ATOM 0 HA GLU A 34 9.003 -2.620 -1.024 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.027 -1.314 1.452 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.585 -2.098 1.626 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.859 0.017 -0.408 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.849 0.240 1.021 1.00 0.00 H new ATOM 470 N LYS A 35 8.082 -4.573 1.476 1.00 0.00 N ATOM 471 CA LYS A 35 8.303 -5.880 2.112 1.00 0.00 C ATOM 472 C LYS A 35 6.953 -6.431 2.448 1.00 0.00 C ATOM 473 O LYS A 35 6.053 -5.657 2.724 1.00 0.00 O ATOM 474 CB LYS A 35 9.095 -5.731 3.423 1.00 0.00 C ATOM 475 CG LYS A 35 10.452 -5.067 3.297 1.00 0.00 C ATOM 476 CD LYS A 35 11.435 -5.908 2.519 1.00 0.00 C ATOM 477 CE LYS A 35 12.737 -5.160 2.342 1.00 0.00 C ATOM 478 NZ LYS A 35 13.771 -5.987 1.704 1.00 0.00 N ATOM 0 H LYS A 35 7.324 -4.033 1.893 1.00 0.00 H new ATOM 0 HA LYS A 35 8.866 -6.526 1.438 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.493 -5.156 4.127 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.234 -6.721 3.857 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.336 -4.101 2.806 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.852 -4.873 4.292 1.00 0.00 H new ATOM 0 HD2 LYS A 35 11.615 -6.847 3.042 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.017 -6.161 1.545 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.563 -4.269 1.738 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.094 -4.821 3.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 14.645 -5.433 1.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.957 -6.824 2.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.443 -6.290 0.765 1.00 0.00 H new ATOM 492 N ILE A 36 6.796 -7.728 2.442 1.00 0.00 N ATOM 493 CA ILE A 36 5.497 -8.319 2.709 1.00 0.00 C ATOM 494 C ILE A 36 5.582 -9.210 3.935 1.00 0.00 C ATOM 495 O ILE A 36 6.564 -9.936 4.107 1.00 0.00 O ATOM 496 CB ILE A 36 5.016 -9.193 1.519 1.00 0.00 C ATOM 497 CG1 ILE A 36 5.232 -8.471 0.198 1.00 0.00 C ATOM 498 CG2 ILE A 36 3.532 -9.519 1.680 1.00 0.00 C ATOM 499 CD1 ILE A 36 4.957 -9.323 -1.010 1.00 0.00 C ATOM 0 H ILE A 36 7.542 -8.398 2.257 1.00 0.00 H new ATOM 0 HA ILE A 36 4.792 -7.502 2.866 1.00 0.00 H new ATOM 0 HB ILE A 36 5.597 -10.115 1.516 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.588 -7.592 0.165 1.00 0.00 H new ATOM 0 HG13 ILE A 36 6.261 -8.115 0.153 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.201 -10.132 0.842 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.378 -10.064 2.611 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.956 -8.594 1.702 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.133 -8.740 -1.914 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.619 -10.189 -1.003 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.920 -9.658 -0.990 1.00 0.00 H new ATOM 511 N ASP A 37 4.584 -9.126 4.776 1.00 0.00 N ATOM 512 CA ASP A 37 4.448 -9.974 5.947 1.00 0.00 C ATOM 513 C ASP A 37 3.081 -10.619 5.822 1.00 0.00 C ATOM 514 O ASP A 37 2.116 -10.132 6.370 1.00 0.00 O ATOM 515 CB ASP A 37 4.486 -9.124 7.227 1.00 0.00 C ATOM 516 CG ASP A 37 4.715 -9.921 8.457 1.00 0.00 C ATOM 517 OD1 ASP A 37 5.639 -10.752 8.484 1.00 0.00 O ATOM 518 OD2 ASP A 37 3.995 -9.720 9.436 1.00 0.00 O ATOM 0 H ASP A 37 3.824 -8.454 4.670 1.00 0.00 H new ATOM 0 HA ASP A 37 5.253 -10.706 6.005 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.274 -8.377 7.135 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.544 -8.583 7.323 1.00 0.00 H new ATOM 523 N TYR A 38 2.996 -11.678 5.064 1.00 0.00 N ATOM 524 CA TYR A 38 1.729 -12.242 4.647 1.00 0.00 C ATOM 525 C TYR A 38 1.130 -13.286 5.536 1.00 0.00 C ATOM 526 O TYR A 38 -0.025 -13.675 5.311 1.00 0.00 O ATOM 527 CB TYR A 38 1.735 -12.726 3.196 1.00 0.00 C ATOM 528 CG TYR A 38 2.945 -13.521 2.753 1.00 0.00 C ATOM 529 CD1 TYR A 38 3.034 -14.887 2.975 1.00 0.00 C ATOM 530 CD2 TYR A 38 3.990 -12.900 2.087 1.00 0.00 C ATOM 531 CE1 TYR A 38 4.131 -15.604 2.554 1.00 0.00 C ATOM 532 CE2 TYR A 38 5.089 -13.608 1.663 1.00 0.00 C ATOM 533 CZ TYR A 38 5.155 -14.958 1.899 1.00 0.00 C ATOM 534 OH TYR A 38 6.260 -15.669 1.479 1.00 0.00 O ATOM 0 H TYR A 38 3.809 -12.183 4.712 1.00 0.00 H new ATOM 0 HA TYR A 38 1.069 -11.380 4.739 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.848 -13.339 3.037 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.642 -11.856 2.546 1.00 0.00 H new ATOM 0 HD1 TYR A 38 2.230 -15.396 3.486 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.940 -11.838 1.897 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.188 -16.667 2.736 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.894 -13.106 1.148 1.00 0.00 H new ATOM 0 HH TYR A 38 6.889 -15.064 1.033 1.00 0.00 H new ATOM 544 N GLU A 39 1.834 -13.772 6.521 1.00 0.00 N ATOM 545 CA GLU A 39 1.177 -14.710 7.381 1.00 0.00 C ATOM 546 C GLU A 39 0.405 -13.950 8.436 1.00 0.00 C ATOM 547 O GLU A 39 -0.574 -14.436 9.000 1.00 0.00 O ATOM 548 CB GLU A 39 2.084 -15.857 7.899 1.00 0.00 C ATOM 549 CG GLU A 39 3.229 -15.529 8.874 1.00 0.00 C ATOM 550 CD GLU A 39 2.776 -15.021 10.220 1.00 0.00 C ATOM 551 OE1 GLU A 39 2.190 -15.799 11.000 1.00 0.00 O ATOM 552 OE2 GLU A 39 3.011 -13.835 10.532 1.00 0.00 O ATOM 0 H GLU A 39 2.805 -13.551 6.740 1.00 0.00 H new ATOM 0 HA GLU A 39 0.454 -15.278 6.796 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.440 -16.590 8.385 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.524 -16.345 7.029 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.832 -16.425 9.022 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.876 -14.781 8.416 1.00 0.00 H new ATOM 559 N GLU A 40 0.861 -12.746 8.690 1.00 0.00 N ATOM 560 CA GLU A 40 0.114 -11.815 9.485 1.00 0.00 C ATOM 561 C GLU A 40 -0.837 -11.130 8.524 1.00 0.00 C ATOM 562 O GLU A 40 -2.046 -11.039 8.757 1.00 0.00 O ATOM 563 CB GLU A 40 1.029 -10.797 10.175 1.00 0.00 C ATOM 564 CG GLU A 40 0.298 -9.824 11.094 1.00 0.00 C ATOM 565 CD GLU A 40 -0.449 -10.502 12.218 1.00 0.00 C ATOM 566 OE1 GLU A 40 0.151 -10.779 13.270 1.00 0.00 O ATOM 567 OE2 GLU A 40 -1.655 -10.767 12.070 1.00 0.00 O ATOM 0 H GLU A 40 1.755 -12.391 8.351 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.420 -12.323 10.288 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.779 -11.334 10.755 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.562 -10.229 9.413 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.019 -9.125 11.517 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.405 -9.237 10.503 1.00 0.00 H new ATOM 574 N GLY A 41 -0.268 -10.700 7.428 1.00 0.00 N ATOM 575 CA GLY A 41 -1.002 -10.143 6.343 1.00 0.00 C ATOM 576 C GLY A 41 -0.993 -8.645 6.335 1.00 0.00 C ATOM 577 O GLY A 41 -2.031 -7.992 6.266 1.00 0.00 O ATOM 0 H GLY A 41 0.739 -10.732 7.270 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.585 -10.508 5.404 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.033 -10.494 6.391 1.00 0.00 H new ATOM 581 N LYS A 42 0.193 -8.120 6.393 1.00 0.00 N ATOM 582 CA LYS A 42 0.471 -6.713 6.353 1.00 0.00 C ATOM 583 C LYS A 42 1.734 -6.531 5.577 1.00 0.00 C ATOM 584 O LYS A 42 2.538 -7.439 5.512 1.00 0.00 O ATOM 585 CB LYS A 42 0.616 -6.116 7.769 1.00 0.00 C ATOM 586 CG LYS A 42 1.492 -6.912 8.727 1.00 0.00 C ATOM 587 CD LYS A 42 1.665 -6.173 10.049 1.00 0.00 C ATOM 588 CE LYS A 42 2.272 -7.055 11.141 1.00 0.00 C ATOM 589 NZ LYS A 42 3.619 -7.559 10.831 1.00 0.00 N ATOM 0 H LYS A 42 1.036 -8.688 6.474 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.359 -6.188 5.880 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.025 -5.110 7.680 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.377 -6.019 8.207 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.045 -7.889 8.908 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.468 -7.087 8.274 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.303 -5.303 9.894 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.696 -5.802 10.383 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.314 -6.486 12.070 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.610 -7.903 11.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.202 -7.543 11.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.552 -8.534 10.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.057 -6.956 10.105 1.00 0.00 H new ATOM 603 N MET A 43 1.907 -5.428 4.963 1.00 0.00 N ATOM 604 CA MET A 43 3.114 -5.213 4.223 1.00 0.00 C ATOM 605 C MET A 43 3.579 -3.797 4.351 1.00 0.00 C ATOM 606 O MET A 43 2.803 -2.907 4.724 1.00 0.00 O ATOM 607 CB MET A 43 2.977 -5.606 2.730 1.00 0.00 C ATOM 608 CG MET A 43 2.005 -4.774 1.911 1.00 0.00 C ATOM 609 SD MET A 43 0.293 -5.020 2.375 1.00 0.00 S ATOM 610 CE MET A 43 -0.496 -3.917 1.241 1.00 0.00 C ATOM 0 H MET A 43 1.241 -4.655 4.949 1.00 0.00 H new ATOM 0 HA MET A 43 3.865 -5.871 4.660 1.00 0.00 H new ATOM 0 HB2 MET A 43 3.961 -5.542 2.266 1.00 0.00 H new ATOM 0 HB3 MET A 43 2.667 -6.650 2.676 1.00 0.00 H new ATOM 0 HG2 MET A 43 2.256 -3.719 2.024 1.00 0.00 H new ATOM 0 HG3 MET A 43 2.127 -5.020 0.856 1.00 0.00 H new ATOM 0 HE1 MET A 43 -1.524 -3.741 1.560 1.00 0.00 H new ATOM 0 HE2 MET A 43 0.044 -2.970 1.219 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.496 -4.358 0.244 1.00 0.00 H new ATOM 620 N LEU A 44 4.854 -3.609 4.090 1.00 0.00 N ATOM 621 CA LEU A 44 5.447 -2.308 4.044 1.00 0.00 C ATOM 622 C LEU A 44 5.104 -1.698 2.752 1.00 0.00 C ATOM 623 O LEU A 44 5.595 -2.119 1.712 1.00 0.00 O ATOM 624 CB LEU A 44 6.975 -2.348 4.174 1.00 0.00 C ATOM 625 CG LEU A 44 7.540 -2.452 5.570 1.00 0.00 C ATOM 626 CD1 LEU A 44 9.050 -2.557 5.517 1.00 0.00 C ATOM 627 CD2 LEU A 44 7.135 -1.241 6.390 1.00 0.00 C ATOM 0 H LEU A 44 5.508 -4.369 3.903 1.00 0.00 H new ATOM 0 HA LEU A 44 5.062 -1.733 4.886 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.342 -3.196 3.596 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.378 -1.447 3.711 1.00 0.00 H new ATOM 0 HG LEU A 44 7.140 -3.349 6.042 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.445 -2.631 6.530 1.00 0.00 H new ATOM 0 HD12 LEU A 44 9.333 -3.444 4.951 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.460 -1.671 5.032 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.548 -1.327 7.395 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.517 -0.337 5.917 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.048 -1.188 6.448 1.00 0.00 H new ATOM 639 N VAL A 45 4.235 -0.792 2.785 1.00 0.00 N ATOM 640 CA VAL A 45 3.876 -0.091 1.624 1.00 0.00 C ATOM 641 C VAL A 45 4.682 1.190 1.564 1.00 0.00 C ATOM 642 O VAL A 45 4.807 1.899 2.563 1.00 0.00 O ATOM 643 CB VAL A 45 2.340 0.171 1.554 1.00 0.00 C ATOM 644 CG1 VAL A 45 1.821 0.763 2.839 1.00 0.00 C ATOM 645 CG2 VAL A 45 1.988 1.078 0.395 1.00 0.00 C ATOM 0 H VAL A 45 3.738 -0.503 3.628 1.00 0.00 H new ATOM 0 HA VAL A 45 4.108 -0.697 0.748 1.00 0.00 H new ATOM 0 HB VAL A 45 1.862 -0.796 1.400 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.748 0.932 2.754 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.016 0.075 3.661 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.324 1.711 3.032 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.910 1.241 0.374 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.497 2.034 0.514 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.303 0.613 -0.539 1.00 0.00 H new ATOM 655 N HIS A 46 5.297 1.425 0.433 1.00 0.00 N ATOM 656 CA HIS A 46 5.987 2.642 0.234 1.00 0.00 C ATOM 657 C HIS A 46 5.141 3.603 -0.524 1.00 0.00 C ATOM 658 O HIS A 46 4.739 3.333 -1.663 1.00 0.00 O ATOM 659 CB HIS A 46 7.444 2.554 -0.305 1.00 0.00 C ATOM 660 CG HIS A 46 7.774 1.740 -1.512 1.00 0.00 C ATOM 661 ND1 HIS A 46 8.842 2.050 -2.310 1.00 0.00 N ATOM 662 CD2 HIS A 46 7.379 0.533 -1.895 1.00 0.00 C ATOM 663 CE1 HIS A 46 9.089 1.058 -3.112 1.00 0.00 C ATOM 664 NE2 HIS A 46 8.212 0.119 -2.893 1.00 0.00 N ATOM 0 H HIS A 46 5.325 0.779 -0.356 1.00 0.00 H new ATOM 0 HA HIS A 46 6.157 3.025 1.240 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.770 3.574 -0.510 1.00 0.00 H new ATOM 0 HB3 HIS A 46 8.063 2.180 0.510 1.00 0.00 H new ATOM 0 HD2 HIS A 46 6.547 -0.023 -1.489 1.00 0.00 H new ATOM 0 HE1 HIS A 46 9.887 1.018 -3.838 1.00 0.00 H new ATOM 0 HE2 HIS A 46 8.158 -0.773 -3.384 1.00 0.00 H new ATOM 673 N PHE A 47 4.826 4.682 0.124 1.00 0.00 N ATOM 674 CA PHE A 47 3.973 5.715 -0.423 1.00 0.00 C ATOM 675 C PHE A 47 4.850 6.719 -1.178 1.00 0.00 C ATOM 676 O PHE A 47 6.008 6.419 -1.510 1.00 0.00 O ATOM 677 CB PHE A 47 3.238 6.442 0.724 1.00 0.00 C ATOM 678 CG PHE A 47 2.466 5.560 1.675 1.00 0.00 C ATOM 679 CD1 PHE A 47 3.076 5.054 2.808 1.00 0.00 C ATOM 680 CD2 PHE A 47 1.128 5.272 1.460 1.00 0.00 C ATOM 681 CE1 PHE A 47 2.376 4.288 3.702 1.00 0.00 C ATOM 682 CE2 PHE A 47 0.425 4.499 2.354 1.00 0.00 C ATOM 683 CZ PHE A 47 1.050 4.010 3.476 1.00 0.00 C ATOM 0 H PHE A 47 5.157 4.882 1.068 1.00 0.00 H new ATOM 0 HA PHE A 47 3.238 5.273 -1.096 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.971 7.008 1.298 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.548 7.164 0.288 1.00 0.00 H new ATOM 0 HD1 PHE A 47 4.119 5.266 2.991 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.632 5.658 0.582 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.866 3.903 4.584 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.617 4.277 2.175 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.498 3.406 4.181 1.00 0.00 H new ATOM 693 N GLU A 48 4.311 7.883 -1.456 1.00 0.00 N ATOM 694 CA GLU A 48 5.064 8.931 -2.107 1.00 0.00 C ATOM 695 C GLU A 48 4.689 10.262 -1.488 1.00 0.00 C ATOM 696 O GLU A 48 5.449 10.814 -0.683 1.00 0.00 O ATOM 697 CB GLU A 48 4.820 8.939 -3.607 1.00 0.00 C ATOM 698 CG GLU A 48 5.618 9.992 -4.344 1.00 0.00 C ATOM 699 CD GLU A 48 5.313 9.999 -5.793 1.00 0.00 C ATOM 700 OE1 GLU A 48 4.302 10.589 -6.191 1.00 0.00 O ATOM 701 OE2 GLU A 48 6.057 9.372 -6.572 1.00 0.00 O ATOM 0 H GLU A 48 3.345 8.130 -1.239 1.00 0.00 H new ATOM 0 HA GLU A 48 6.129 8.749 -1.960 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.067 7.958 -4.012 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.759 9.103 -3.793 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.401 10.973 -3.922 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.683 9.810 -4.198 1.00 0.00 H new ATOM 708 N ARG A 49 3.518 10.770 -1.839 1.00 0.00 N ATOM 709 CA ARG A 49 3.007 11.953 -1.194 1.00 0.00 C ATOM 710 C ARG A 49 2.381 11.512 0.074 1.00 0.00 C ATOM 711 O ARG A 49 1.260 11.024 0.086 1.00 0.00 O ATOM 712 CB ARG A 49 2.026 12.724 -2.070 1.00 0.00 C ATOM 713 CG ARG A 49 2.634 13.341 -3.325 1.00 0.00 C ATOM 714 CD ARG A 49 3.671 14.441 -3.024 1.00 0.00 C ATOM 715 NE ARG A 49 4.896 13.953 -2.355 1.00 0.00 N ATOM 716 CZ ARG A 49 6.015 13.574 -3.001 1.00 0.00 C ATOM 717 NH1 ARG A 49 6.036 13.537 -4.333 1.00 0.00 N ATOM 718 NH2 ARG A 49 7.099 13.230 -2.316 1.00 0.00 N ATOM 0 H ARG A 49 2.913 10.380 -2.562 1.00 0.00 H new ATOM 0 HA ARG A 49 3.820 12.654 -1.004 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.221 12.052 -2.367 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.576 13.518 -1.474 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.108 12.556 -3.914 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.836 13.761 -3.938 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.950 14.927 -3.959 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.206 15.201 -2.396 1.00 0.00 H new ATOM 0 HE ARG A 49 4.893 13.900 -1.336 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.204 13.796 -4.864 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.884 13.250 -4.822 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.086 13.252 -1.296 1.00 0.00 H new ATOM 0 HH22 ARG A 49 7.944 12.944 -2.809 1.00 0.00 H new ATOM 732 N TRP A 50 3.129 11.642 1.117 1.00 0.00 N ATOM 733 CA TRP A 50 2.784 11.062 2.367 1.00 0.00 C ATOM 734 C TRP A 50 3.325 11.906 3.501 1.00 0.00 C ATOM 735 O TRP A 50 2.554 12.468 4.280 1.00 0.00 O ATOM 736 CB TRP A 50 3.388 9.652 2.374 1.00 0.00 C ATOM 737 CG TRP A 50 3.142 8.815 3.576 1.00 0.00 C ATOM 738 CD1 TRP A 50 4.074 8.141 4.278 1.00 0.00 C ATOM 739 CD2 TRP A 50 1.897 8.547 4.203 1.00 0.00 C ATOM 740 NE1 TRP A 50 3.488 7.442 5.299 1.00 0.00 N ATOM 741 CE2 TRP A 50 2.149 7.680 5.279 1.00 0.00 C ATOM 742 CE3 TRP A 50 0.597 8.948 3.959 1.00 0.00 C ATOM 743 CZ2 TRP A 50 1.146 7.213 6.105 1.00 0.00 C ATOM 744 CZ3 TRP A 50 -0.391 8.486 4.777 1.00 0.00 C ATOM 745 CH2 TRP A 50 -0.118 7.625 5.840 1.00 0.00 C ATOM 0 H TRP A 50 4.007 12.161 1.124 1.00 0.00 H new ATOM 0 HA TRP A 50 1.704 11.011 2.504 1.00 0.00 H new ATOM 0 HB2 TRP A 50 3.006 9.116 1.505 1.00 0.00 H new ATOM 0 HB3 TRP A 50 4.466 9.745 2.242 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.133 8.151 4.065 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.975 6.842 5.965 1.00 0.00 H new ATOM 0 HE3 TRP A 50 0.369 9.612 3.139 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.360 6.547 6.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -1.410 8.794 4.598 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -0.929 7.280 6.464 1.00 0.00 H new ATOM 756 N SER A 51 4.652 12.021 3.561 1.00 0.00 N ATOM 757 CA SER A 51 5.334 12.786 4.595 1.00 0.00 C ATOM 758 C SER A 51 4.927 12.314 6.004 1.00 0.00 C ATOM 759 O SER A 51 4.276 13.033 6.760 1.00 0.00 O ATOM 760 CB SER A 51 5.095 14.292 4.398 1.00 0.00 C ATOM 761 OG SER A 51 5.562 14.701 3.106 1.00 0.00 O ATOM 0 H SER A 51 5.283 11.583 2.890 1.00 0.00 H new ATOM 0 HA SER A 51 6.405 12.608 4.503 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.033 14.515 4.497 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.612 14.855 5.175 1.00 0.00 H new ATOM 0 HG SER A 51 5.404 15.661 2.990 1.00 0.00 H new ATOM 767 N HIS A 52 5.279 11.083 6.324 1.00 0.00 N ATOM 768 CA HIS A 52 4.916 10.494 7.604 1.00 0.00 C ATOM 769 C HIS A 52 5.879 9.361 7.917 1.00 0.00 C ATOM 770 O HIS A 52 6.462 9.316 8.982 1.00 0.00 O ATOM 771 CB HIS A 52 3.454 9.993 7.555 1.00 0.00 C ATOM 772 CG HIS A 52 2.882 9.565 8.874 1.00 0.00 C ATOM 773 ND1 HIS A 52 2.415 10.457 9.794 1.00 0.00 N ATOM 774 CD2 HIS A 52 2.692 8.338 9.415 1.00 0.00 C ATOM 775 CE1 HIS A 52 1.966 9.815 10.841 1.00 0.00 C ATOM 776 NE2 HIS A 52 2.118 8.530 10.640 1.00 0.00 N ATOM 0 H HIS A 52 5.818 10.468 5.714 1.00 0.00 H new ATOM 0 HA HIS A 52 4.986 11.240 8.396 1.00 0.00 H new ATOM 0 HB2 HIS A 52 2.828 10.786 7.146 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.397 9.153 6.863 1.00 0.00 H new ATOM 0 HD2 HIS A 52 2.946 7.390 8.965 1.00 0.00 H new ATOM 0 HE1 HIS A 52 1.541 10.269 11.724 1.00 0.00 H new ATOM 0 HE2 HIS A 52 1.851 7.792 11.292 1.00 0.00 H new ATOM 785 N ARG A 53 6.007 8.459 6.973 1.00 0.00 N ATOM 786 CA ARG A 53 6.952 7.344 6.995 1.00 0.00 C ATOM 787 C ARG A 53 6.844 6.612 5.686 1.00 0.00 C ATOM 788 O ARG A 53 5.858 5.927 5.446 1.00 0.00 O ATOM 789 CB ARG A 53 6.800 6.371 8.207 1.00 0.00 C ATOM 790 CG ARG A 53 5.427 5.756 8.425 1.00 0.00 C ATOM 791 CD ARG A 53 5.486 4.667 9.487 1.00 0.00 C ATOM 792 NE ARG A 53 6.287 3.515 9.050 1.00 0.00 N ATOM 793 CZ ARG A 53 6.598 2.438 9.789 1.00 0.00 C ATOM 794 NH1 ARG A 53 6.249 2.363 11.066 1.00 0.00 N ATOM 795 NH2 ARG A 53 7.283 1.446 9.230 1.00 0.00 N ATOM 0 H ARG A 53 5.436 8.474 6.128 1.00 0.00 H new ATOM 0 HA ARG A 53 7.947 7.768 7.129 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.519 5.561 8.085 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.078 6.910 9.112 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.721 6.529 8.729 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.058 5.338 7.489 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.910 5.077 10.403 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.475 4.336 9.724 1.00 0.00 H new ATOM 0 HE ARG A 53 6.641 3.536 8.093 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.737 3.130 11.501 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.493 1.538 11.614 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.565 1.509 8.252 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.526 0.622 9.779 1.00 0.00 H new ATOM 809 N TYR A 54 7.842 6.825 4.838 1.00 0.00 N ATOM 810 CA TYR A 54 7.922 6.299 3.466 1.00 0.00 C ATOM 811 C TYR A 54 7.424 4.852 3.347 1.00 0.00 C ATOM 812 O TYR A 54 6.633 4.538 2.463 1.00 0.00 O ATOM 813 CB TYR A 54 9.365 6.437 2.952 1.00 0.00 C ATOM 814 CG TYR A 54 9.600 5.895 1.564 1.00 0.00 C ATOM 815 CD1 TYR A 54 9.122 6.560 0.443 1.00 0.00 C ATOM 816 CD2 TYR A 54 10.297 4.711 1.378 1.00 0.00 C ATOM 817 CE1 TYR A 54 9.332 6.057 -0.823 1.00 0.00 C ATOM 818 CE2 TYR A 54 10.509 4.206 0.120 1.00 0.00 C ATOM 819 CZ TYR A 54 10.029 4.881 -0.976 1.00 0.00 C ATOM 820 OH TYR A 54 10.229 4.358 -2.232 1.00 0.00 O ATOM 0 H TYR A 54 8.653 7.390 5.089 1.00 0.00 H new ATOM 0 HA TYR A 54 7.253 6.892 2.843 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.641 7.491 2.966 1.00 0.00 H new ATOM 0 HB3 TYR A 54 10.032 5.924 3.644 1.00 0.00 H new ATOM 0 HD1 TYR A 54 8.578 7.485 0.565 1.00 0.00 H new ATOM 0 HD2 TYR A 54 10.679 4.178 2.236 1.00 0.00 H new ATOM 0 HE1 TYR A 54 8.953 6.582 -1.687 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.051 3.281 -0.008 1.00 0.00 H new ATOM 0 HH TYR A 54 9.895 3.437 -2.260 1.00 0.00 H new ATOM 830 N ASP A 55 7.888 4.003 4.226 1.00 0.00 N ATOM 831 CA ASP A 55 7.428 2.627 4.276 1.00 0.00 C ATOM 832 C ASP A 55 6.664 2.416 5.567 1.00 0.00 C ATOM 833 O ASP A 55 7.193 2.674 6.651 1.00 0.00 O ATOM 834 CB ASP A 55 8.597 1.607 4.130 1.00 0.00 C ATOM 835 CG ASP A 55 9.700 1.748 5.173 1.00 0.00 C ATOM 836 OD1 ASP A 55 10.620 2.586 4.977 1.00 0.00 O ATOM 837 OD2 ASP A 55 9.694 1.029 6.202 1.00 0.00 O ATOM 0 H ASP A 55 8.591 4.237 4.927 1.00 0.00 H new ATOM 0 HA ASP A 55 6.768 2.446 3.427 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.189 0.598 4.186 1.00 0.00 H new ATOM 0 HB3 ASP A 55 9.037 1.718 3.139 1.00 0.00 H new ATOM 842 N GLU A 56 5.415 2.011 5.457 1.00 0.00 N ATOM 843 CA GLU A 56 4.551 1.803 6.622 1.00 0.00 C ATOM 844 C GLU A 56 3.860 0.441 6.514 1.00 0.00 C ATOM 845 O GLU A 56 3.650 -0.048 5.411 1.00 0.00 O ATOM 846 CB GLU A 56 3.508 2.936 6.698 1.00 0.00 C ATOM 847 CG GLU A 56 2.609 2.893 7.921 1.00 0.00 C ATOM 848 CD GLU A 56 1.640 4.042 7.981 1.00 0.00 C ATOM 849 OE1 GLU A 56 2.028 5.139 8.455 1.00 0.00 O ATOM 850 OE2 GLU A 56 0.459 3.867 7.611 1.00 0.00 O ATOM 0 H GLU A 56 4.963 1.815 4.564 1.00 0.00 H new ATOM 0 HA GLU A 56 5.151 1.817 7.532 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.030 3.893 6.682 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.885 2.897 5.805 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.053 1.956 7.923 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.227 2.899 8.819 1.00 0.00 H new ATOM 857 N TRP A 57 3.531 -0.171 7.645 1.00 0.00 N ATOM 858 CA TRP A 57 2.873 -1.470 7.644 1.00 0.00 C ATOM 859 C TRP A 57 1.371 -1.310 7.611 1.00 0.00 C ATOM 860 O TRP A 57 0.787 -0.686 8.508 1.00 0.00 O ATOM 861 CB TRP A 57 3.234 -2.301 8.885 1.00 0.00 C ATOM 862 CG TRP A 57 4.654 -2.740 8.959 1.00 0.00 C ATOM 863 CD1 TRP A 57 5.656 -2.171 9.686 1.00 0.00 C ATOM 864 CD2 TRP A 57 5.233 -3.857 8.280 1.00 0.00 C ATOM 865 NE1 TRP A 57 6.818 -2.870 9.498 1.00 0.00 N ATOM 866 CE2 TRP A 57 6.586 -3.906 8.638 1.00 0.00 C ATOM 867 CE3 TRP A 57 4.736 -4.820 7.405 1.00 0.00 C ATOM 868 CZ2 TRP A 57 7.453 -4.880 8.149 1.00 0.00 C ATOM 869 CZ3 TRP A 57 5.593 -5.781 6.919 1.00 0.00 C ATOM 870 CH2 TRP A 57 6.935 -5.804 7.291 1.00 0.00 C ATOM 0 H TRP A 57 3.709 0.212 8.574 1.00 0.00 H new ATOM 0 HA TRP A 57 3.222 -1.989 6.751 1.00 0.00 H new ATOM 0 HB2 TRP A 57 3.004 -1.715 9.775 1.00 0.00 H new ATOM 0 HB3 TRP A 57 2.595 -3.184 8.911 1.00 0.00 H new ATOM 0 HD1 TRP A 57 5.550 -1.300 10.316 1.00 0.00 H new ATOM 0 HE1 TRP A 57 7.715 -2.652 9.931 1.00 0.00 H new ATOM 0 HE3 TRP A 57 3.696 -4.813 7.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 8.493 -4.902 8.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 5.218 -6.530 6.237 1.00 0.00 H new ATOM 0 HH2 TRP A 57 7.580 -6.572 6.890 1.00 0.00 H new ATOM 881 N ILE A 58 0.742 -1.842 6.596 1.00 0.00 N ATOM 882 CA ILE A 58 -0.709 -1.842 6.534 1.00 0.00 C ATOM 883 C ILE A 58 -1.176 -3.236 6.165 1.00 0.00 C ATOM 884 O ILE A 58 -0.538 -3.900 5.350 1.00 0.00 O ATOM 885 CB ILE A 58 -1.291 -0.835 5.493 1.00 0.00 C ATOM 886 CG1 ILE A 58 -0.678 0.556 5.649 1.00 0.00 C ATOM 887 CG2 ILE A 58 -2.815 -0.735 5.663 1.00 0.00 C ATOM 888 CD1 ILE A 58 -1.168 1.545 4.617 1.00 0.00 C ATOM 0 H ILE A 58 1.204 -2.281 5.800 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.069 -1.532 7.515 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.045 -1.208 4.499 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.907 0.937 6.644 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.407 0.477 5.580 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.217 -0.031 4.934 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.264 -1.716 5.506 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.047 -0.387 6.670 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.693 2.512 4.785 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.915 1.185 3.620 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.249 1.652 4.701 1.00 0.00 H new ATOM 900 N TYR A 59 -2.227 -3.697 6.810 1.00 0.00 N ATOM 901 CA TYR A 59 -2.840 -4.978 6.491 1.00 0.00 C ATOM 902 C TYR A 59 -3.639 -4.861 5.188 1.00 0.00 C ATOM 903 O TYR A 59 -4.046 -3.739 4.802 1.00 0.00 O ATOM 904 CB TYR A 59 -3.781 -5.433 7.616 1.00 0.00 C ATOM 905 CG TYR A 59 -3.131 -5.733 8.950 1.00 0.00 C ATOM 906 CD1 TYR A 59 -2.808 -4.717 9.834 1.00 0.00 C ATOM 907 CD2 TYR A 59 -2.888 -7.042 9.344 1.00 0.00 C ATOM 908 CE1 TYR A 59 -2.265 -4.992 11.068 1.00 0.00 C ATOM 909 CE2 TYR A 59 -2.335 -7.324 10.574 1.00 0.00 C ATOM 910 CZ TYR A 59 -2.028 -6.294 11.434 1.00 0.00 C ATOM 911 OH TYR A 59 -1.511 -6.571 12.686 1.00 0.00 O ATOM 0 H TYR A 59 -2.684 -3.196 7.572 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.045 -5.715 6.377 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.533 -4.659 7.768 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.307 -6.327 7.282 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.986 -3.690 9.550 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.137 -7.853 8.675 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.026 -4.186 11.746 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.144 -8.347 10.862 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.403 -7.540 12.789 1.00 0.00 H new ATOM 921 N TRP A 60 -3.886 -6.004 4.542 1.00 0.00 N ATOM 922 CA TRP A 60 -4.604 -6.083 3.248 1.00 0.00 C ATOM 923 C TRP A 60 -5.927 -5.305 3.302 1.00 0.00 C ATOM 924 O TRP A 60 -6.874 -5.752 3.984 1.00 0.00 O ATOM 925 CB TRP A 60 -4.964 -7.539 2.899 1.00 0.00 C ATOM 926 CG TRP A 60 -3.880 -8.563 3.049 1.00 0.00 C ATOM 927 CD1 TRP A 60 -3.943 -9.677 3.829 1.00 0.00 C ATOM 928 CD2 TRP A 60 -2.588 -8.586 2.422 1.00 0.00 C ATOM 929 NE1 TRP A 60 -2.791 -10.402 3.719 1.00 0.00 N ATOM 930 CE2 TRP A 60 -1.933 -9.750 2.875 1.00 0.00 C ATOM 931 CE3 TRP A 60 -1.919 -7.747 1.531 1.00 0.00 C ATOM 932 CZ2 TRP A 60 -0.654 -10.090 2.470 1.00 0.00 C ATOM 933 CZ3 TRP A 60 -0.642 -8.091 1.131 1.00 0.00 C ATOM 934 CH2 TRP A 60 -0.026 -9.249 1.603 1.00 0.00 C ATOM 0 H TRP A 60 -3.594 -6.914 4.898 1.00 0.00 H new ATOM 0 HA TRP A 60 -3.934 -5.660 2.500 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -5.803 -7.840 3.526 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -5.313 -7.564 1.867 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -4.785 -9.949 4.448 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -2.601 -11.287 4.190 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -2.389 -6.848 1.162 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -0.173 -10.988 2.828 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -0.112 -7.452 0.441 1.00 0.00 H new ATOM 0 HH2 TRP A 60 0.975 -9.485 1.273 1.00 0.00 H new ATOM 945 N ASP A 61 -5.970 -4.122 2.615 1.00 0.00 N ATOM 946 CA ASP A 61 -7.182 -3.231 2.531 1.00 0.00 C ATOM 947 C ASP A 61 -7.901 -3.080 3.843 1.00 0.00 C ATOM 948 O ASP A 61 -9.115 -2.964 3.887 1.00 0.00 O ATOM 949 CB ASP A 61 -8.186 -3.604 1.389 1.00 0.00 C ATOM 950 CG ASP A 61 -8.550 -5.079 1.264 1.00 0.00 C ATOM 951 OD1 ASP A 61 -7.766 -5.853 0.696 1.00 0.00 O ATOM 952 OD2 ASP A 61 -9.645 -5.498 1.733 1.00 0.00 O ATOM 0 H ASP A 61 -5.168 -3.756 2.103 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.763 -2.260 2.266 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.104 -3.037 1.542 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -7.762 -3.275 0.440 1.00 0.00 H new ATOM 957 N SER A 62 -7.129 -2.971 4.898 1.00 0.00 N ATOM 958 CA SER A 62 -7.670 -2.956 6.241 1.00 0.00 C ATOM 959 C SER A 62 -8.494 -1.691 6.492 1.00 0.00 C ATOM 960 O SER A 62 -9.552 -1.727 7.141 1.00 0.00 O ATOM 961 CB SER A 62 -6.515 -3.067 7.251 1.00 0.00 C ATOM 962 OG SER A 62 -6.976 -3.323 8.577 1.00 0.00 O ATOM 0 H SER A 62 -6.113 -2.890 4.853 1.00 0.00 H new ATOM 0 HA SER A 62 -8.340 -3.807 6.363 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.841 -3.867 6.942 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.938 -2.143 7.242 1.00 0.00 H new ATOM 0 HG SER A 62 -6.209 -3.387 9.183 1.00 0.00 H new ATOM 968 N ASN A 63 -8.046 -0.597 5.941 1.00 0.00 N ATOM 969 CA ASN A 63 -8.665 0.678 6.199 1.00 0.00 C ATOM 970 C ASN A 63 -8.776 1.553 4.948 1.00 0.00 C ATOM 971 O ASN A 63 -9.825 1.601 4.323 1.00 0.00 O ATOM 972 CB ASN A 63 -7.957 1.378 7.385 1.00 0.00 C ATOM 973 CG ASN A 63 -6.425 1.290 7.335 1.00 0.00 C ATOM 974 OD1 ASN A 63 -5.815 1.287 6.260 1.00 0.00 O ATOM 975 ND2 ASN A 63 -5.815 1.142 8.471 1.00 0.00 N ATOM 0 H ASN A 63 -7.249 -0.561 5.306 1.00 0.00 H new ATOM 0 HA ASN A 63 -9.700 0.502 6.492 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.250 2.428 7.402 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -8.306 0.934 8.317 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -4.803 1.019 8.494 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.348 1.149 9.341 1.00 0.00 H new ATOM 982 N ARG A 64 -7.709 2.174 4.548 1.00 0.00 N ATOM 983 CA ARG A 64 -7.727 3.072 3.401 1.00 0.00 C ATOM 984 C ARG A 64 -6.814 2.501 2.318 1.00 0.00 C ATOM 985 O ARG A 64 -6.263 3.206 1.512 1.00 0.00 O ATOM 986 CB ARG A 64 -7.272 4.506 3.835 1.00 0.00 C ATOM 987 CG ARG A 64 -5.777 4.769 3.927 1.00 0.00 C ATOM 988 CD ARG A 64 -5.061 3.995 4.990 1.00 0.00 C ATOM 989 NE ARG A 64 -3.662 4.397 5.056 1.00 0.00 N ATOM 990 CZ ARG A 64 -2.826 4.207 6.080 1.00 0.00 C ATOM 991 NH1 ARG A 64 -3.267 3.707 7.227 1.00 0.00 N ATOM 992 NH2 ARG A 64 -1.553 4.565 5.954 1.00 0.00 N ATOM 0 H ARG A 64 -6.797 2.083 4.996 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.738 3.156 3.002 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.697 5.221 3.131 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.712 4.718 4.810 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.323 4.538 2.963 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.621 5.833 4.106 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -5.540 4.162 5.955 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -5.130 2.928 4.780 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.283 4.872 4.237 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -4.252 3.464 7.332 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -2.621 3.565 8.004 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -1.224 4.980 5.082 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.905 4.425 6.729 1.00 0.00 H new ATOM 1006 N LEU A 65 -6.707 1.211 2.267 1.00 0.00 N ATOM 1007 CA LEU A 65 -5.807 0.605 1.323 1.00 0.00 C ATOM 1008 C LEU A 65 -6.616 -0.243 0.319 1.00 0.00 C ATOM 1009 O LEU A 65 -7.665 -0.744 0.672 1.00 0.00 O ATOM 1010 CB LEU A 65 -4.740 -0.196 2.091 1.00 0.00 C ATOM 1011 CG LEU A 65 -3.501 -0.562 1.306 1.00 0.00 C ATOM 1012 CD1 LEU A 65 -2.856 0.700 0.741 1.00 0.00 C ATOM 1013 CD2 LEU A 65 -2.505 -1.255 2.190 1.00 0.00 C ATOM 0 H LEU A 65 -7.223 0.559 2.858 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.277 1.357 0.738 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.437 0.382 2.964 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.198 -1.114 2.460 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.794 -1.229 0.496 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.963 0.431 0.176 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.563 1.207 0.084 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.581 1.365 1.559 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.619 -1.511 1.609 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.223 -0.593 3.009 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.949 -2.164 2.595 1.00 0.00 H new ATOM 1025 N ARG A 66 -6.172 -0.321 -0.931 1.00 0.00 N ATOM 1026 CA ARG A 66 -6.900 -1.031 -2.005 1.00 0.00 C ATOM 1027 C ARG A 66 -6.006 -2.019 -2.760 1.00 0.00 C ATOM 1028 O ARG A 66 -4.893 -1.641 -3.279 1.00 0.00 O ATOM 1029 CB ARG A 66 -7.495 -0.017 -3.005 1.00 0.00 C ATOM 1030 CG ARG A 66 -8.171 -0.599 -4.246 1.00 0.00 C ATOM 1031 CD ARG A 66 -9.420 -1.388 -3.925 1.00 0.00 C ATOM 1032 NE ARG A 66 -10.005 -1.990 -5.129 1.00 0.00 N ATOM 1033 CZ ARG A 66 -10.817 -3.059 -5.143 1.00 0.00 C ATOM 1034 NH1 ARG A 66 -11.171 -3.648 -4.013 1.00 0.00 N ATOM 1035 NH2 ARG A 66 -11.289 -3.511 -6.293 1.00 0.00 N ATOM 0 H ARG A 66 -5.297 0.103 -1.240 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.697 -1.599 -1.526 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.224 0.597 -2.476 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.696 0.648 -3.332 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.426 0.212 -4.928 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.465 -1.244 -4.768 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.181 -2.171 -3.206 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.153 -0.734 -3.452 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.776 -1.562 -6.026 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.827 -3.290 -3.122 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -11.788 -4.460 -4.033 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -11.036 -3.048 -7.166 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -11.906 -4.323 -6.307 1.00 0.00 H new ATOM 1049 N PRO A 67 -6.468 -3.299 -2.817 1.00 0.00 N ATOM 1050 CA PRO A 67 -5.830 -4.362 -3.566 1.00 0.00 C ATOM 1051 C PRO A 67 -6.198 -4.317 -5.038 1.00 0.00 C ATOM 1052 O PRO A 67 -6.853 -3.384 -5.505 1.00 0.00 O ATOM 1053 CB PRO A 67 -6.406 -5.621 -2.944 1.00 0.00 C ATOM 1054 CG PRO A 67 -7.775 -5.230 -2.553 1.00 0.00 C ATOM 1055 CD PRO A 67 -7.669 -3.805 -2.109 1.00 0.00 C ATOM 0 HA PRO A 67 -4.743 -4.295 -3.522 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.414 -6.449 -3.653 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.822 -5.944 -2.083 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -8.466 -5.331 -3.390 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.151 -5.865 -1.751 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.560 -3.236 -2.376 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.556 -3.731 -1.027 1.00 0.00 H new ATOM 1063 N LEU A 68 -5.732 -5.293 -5.768 1.00 0.00 N ATOM 1064 CA LEU A 68 -6.055 -5.410 -7.156 1.00 0.00 C ATOM 1065 C LEU A 68 -7.395 -6.056 -7.287 1.00 0.00 C ATOM 1066 O LEU A 68 -7.672 -7.056 -6.611 1.00 0.00 O ATOM 1067 CB LEU A 68 -4.995 -6.241 -7.884 1.00 0.00 C ATOM 1068 CG LEU A 68 -5.204 -6.517 -9.371 1.00 0.00 C ATOM 1069 CD1 LEU A 68 -5.132 -5.231 -10.164 1.00 0.00 C ATOM 1070 CD2 LEU A 68 -4.171 -7.513 -9.871 1.00 0.00 C ATOM 0 H LEU A 68 -5.119 -6.027 -5.414 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.078 -4.418 -7.608 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.036 -5.736 -7.769 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.913 -7.201 -7.374 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.196 -6.948 -9.509 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.283 -5.447 -11.222 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.907 -4.547 -9.819 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.154 -4.771 -10.024 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.331 -7.701 -10.933 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.171 -7.106 -9.721 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.269 -8.447 -9.318 1.00 0.00 H new ATOM 1082 N GLU A 69 -8.206 -5.500 -8.155 1.00 0.00 N ATOM 1083 CA GLU A 69 -9.552 -5.986 -8.471 1.00 0.00 C ATOM 1084 C GLU A 69 -9.533 -7.417 -9.051 1.00 0.00 C ATOM 1085 O GLU A 69 -10.576 -8.057 -9.181 1.00 0.00 O ATOM 1086 CB GLU A 69 -10.183 -5.028 -9.466 1.00 0.00 C ATOM 1087 CG GLU A 69 -9.322 -4.791 -10.697 1.00 0.00 C ATOM 1088 CD GLU A 69 -9.986 -3.870 -11.698 1.00 0.00 C ATOM 1089 OE1 GLU A 69 -10.994 -4.282 -12.326 1.00 0.00 O ATOM 1090 OE2 GLU A 69 -9.499 -2.739 -11.916 1.00 0.00 O ATOM 0 H GLU A 69 -7.950 -4.667 -8.686 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.134 -6.026 -7.550 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.150 -5.423 -9.777 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.371 -4.074 -8.973 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.367 -4.363 -10.392 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.105 -5.746 -11.175 1.00 0.00 H new ATOM 1097 N ARG A 70 -8.319 -7.877 -9.382 1.00 0.00 N ATOM 1098 CA ARG A 70 -8.007 -9.202 -9.918 1.00 0.00 C ATOM 1099 C ARG A 70 -8.260 -9.269 -11.423 1.00 0.00 C ATOM 1100 O ARG A 70 -9.287 -8.810 -11.907 1.00 0.00 O ATOM 1101 CB ARG A 70 -8.737 -10.369 -9.197 1.00 0.00 C ATOM 1102 CG ARG A 70 -8.546 -10.458 -7.682 1.00 0.00 C ATOM 1103 CD ARG A 70 -7.083 -10.423 -7.281 1.00 0.00 C ATOM 1104 NE ARG A 70 -6.883 -10.927 -5.921 1.00 0.00 N ATOM 1105 CZ ARG A 70 -6.343 -10.260 -4.896 1.00 0.00 C ATOM 1106 NH1 ARG A 70 -6.257 -8.937 -4.912 1.00 0.00 N ATOM 1107 NH2 ARG A 70 -5.961 -10.919 -3.818 1.00 0.00 N ATOM 0 H ARG A 70 -7.485 -7.300 -9.276 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.943 -9.341 -9.724 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -9.804 -10.283 -9.402 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.402 -11.307 -9.639 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -9.071 -9.632 -7.203 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.999 -11.379 -7.315 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.499 -11.021 -7.981 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.711 -9.401 -7.349 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.186 -11.883 -5.737 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.606 -8.413 -5.715 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.842 -8.443 -4.122 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.079 -11.931 -3.771 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.548 -10.416 -3.032 1.00 0.00 H new