USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 559 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN :FLIP amide:sc= -3.48! C(o=-7.2!,f=-3.5!) USER MOD Single : A 44 CYS SG : rot 180:sc= -0.309 USER MOD Single : A 49 ASN : amide:sc= -1.57! X(o=-1.6!,f=-1.4) USER MOD Single : A 50 CYS SG : rot -67:sc= -6.53! USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl -166:sc= -0.0924 (180deg=-0.683) USER MOD Single : A 67 SER OG : rot 29:sc= -0.985 USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-2.5!) USER MOD Single : A 69 GLN : amide:sc= -0.513 X(o=-0.51,f=-0.051) USER MOD Single : A 71 ASN : amide:sc= -0.0994 X(o=-0.099,f=-0.58) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.0876 X(o=-0.088,f=-0.0015) USER MOD Single : A 77 HIS : no HE2:sc= -2.2 K(o=-2.2,f=-2.8!) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -168:sc= 0.333 (180deg=0.292) USER MOD ----------------------------------------------------------------- ATOM 67 N ARG A 20 -14.443 -3.946 -14.006 1.00 0.00 N ATOM 68 CA ARG A 20 -14.795 -2.797 -13.136 1.00 0.00 C ATOM 69 C ARG A 20 -13.728 -1.682 -13.248 1.00 0.00 C ATOM 70 O ARG A 20 -12.562 -1.920 -13.001 1.00 0.00 O ATOM 71 CB ARG A 20 -14.836 -3.297 -11.679 1.00 0.00 C ATOM 72 CG ARG A 20 -13.425 -3.716 -11.244 1.00 0.00 C ATOM 73 CD ARG A 20 -13.523 -4.774 -10.139 1.00 0.00 C ATOM 74 NE ARG A 20 -13.805 -4.095 -8.841 1.00 0.00 N ATOM 75 CZ ARG A 20 -14.986 -3.580 -8.631 1.00 0.00 C ATOM 76 NH1 ARG A 20 -16.038 -4.215 -9.065 1.00 0.00 N ATOM 77 NH2 ARG A 20 -15.074 -2.447 -7.988 1.00 0.00 N ATOM 0 HA ARG A 20 -15.759 -2.392 -13.443 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -15.212 -2.511 -11.024 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -15.521 -4.140 -11.591 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.874 -4.115 -12.096 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.872 -2.849 -10.884 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -14.314 -5.488 -10.370 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -12.593 -5.338 -10.074 1.00 0.00 H new ATOM 0 HE ARG A 20 -13.082 -4.034 -8.124 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -15.931 -5.100 -9.560 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -16.968 -3.827 -8.909 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -14.229 -1.980 -7.659 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -15.988 -2.029 -7.814 1.00 0.00 H new ATOM 91 N PRO A 21 -14.145 -0.474 -13.630 1.00 0.00 N ATOM 92 CA PRO A 21 -13.208 0.643 -13.764 1.00 0.00 C ATOM 93 C PRO A 21 -12.525 0.966 -12.437 1.00 0.00 C ATOM 94 O PRO A 21 -11.432 1.493 -12.413 1.00 0.00 O ATOM 95 CB PRO A 21 -14.075 1.843 -14.205 1.00 0.00 C ATOM 96 CG PRO A 21 -15.544 1.336 -14.330 1.00 0.00 C ATOM 97 CD PRO A 21 -15.546 -0.153 -13.952 1.00 0.00 C ATOM 0 HA PRO A 21 -12.415 0.406 -14.474 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -14.009 2.652 -13.478 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -13.724 2.241 -15.157 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -16.203 1.901 -13.671 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -15.914 1.475 -15.346 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -16.199 -0.342 -13.100 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -15.911 -0.767 -14.775 1.00 0.00 H new ATOM 105 N GLU A 22 -13.183 0.641 -11.359 1.00 0.00 N ATOM 106 CA GLU A 22 -12.605 0.914 -10.048 1.00 0.00 C ATOM 107 C GLU A 22 -11.159 0.431 -9.974 1.00 0.00 C ATOM 108 O GLU A 22 -10.320 1.068 -9.369 1.00 0.00 O ATOM 109 CB GLU A 22 -13.442 0.155 -9.018 1.00 0.00 C ATOM 110 CG GLU A 22 -13.112 0.674 -7.634 1.00 0.00 C ATOM 111 CD GLU A 22 -14.399 1.099 -6.924 1.00 0.00 C ATOM 112 OE1 GLU A 22 -14.854 2.188 -7.237 1.00 0.00 O ATOM 113 OE2 GLU A 22 -14.855 0.313 -6.111 1.00 0.00 O ATOM 0 H GLU A 22 -14.101 0.196 -11.347 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.609 1.987 -9.858 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -14.504 0.286 -9.226 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.235 -0.913 -9.078 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.604 -0.099 -7.056 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.428 1.520 -7.705 1.00 0.00 H new ATOM 120 N GLU A 23 -10.896 -0.686 -10.590 1.00 0.00 N ATOM 121 CA GLU A 23 -9.513 -1.224 -10.565 1.00 0.00 C ATOM 122 C GLU A 23 -8.514 -0.169 -11.016 1.00 0.00 C ATOM 123 O GLU A 23 -7.468 -0.004 -10.421 1.00 0.00 O ATOM 124 CB GLU A 23 -9.441 -2.416 -11.531 1.00 0.00 C ATOM 125 CG GLU A 23 -10.070 -3.634 -10.863 1.00 0.00 C ATOM 126 CD GLU A 23 -8.983 -4.433 -10.144 1.00 0.00 C ATOM 127 OE1 GLU A 23 -7.992 -3.809 -9.800 1.00 0.00 O ATOM 128 OE2 GLU A 23 -9.204 -5.621 -9.980 1.00 0.00 O ATOM 0 H GLU A 23 -11.575 -1.245 -11.106 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.266 -1.526 -9.547 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.965 -2.182 -12.458 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.404 -2.625 -11.795 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.836 -3.319 -10.154 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.563 -4.258 -11.608 1.00 0.00 H new ATOM 135 N ILE A 24 -8.855 0.526 -12.062 1.00 0.00 N ATOM 136 CA ILE A 24 -7.939 1.576 -12.572 1.00 0.00 C ATOM 137 C ILE A 24 -7.740 2.679 -11.541 1.00 0.00 C ATOM 138 O ILE A 24 -6.661 3.219 -11.408 1.00 0.00 O ATOM 139 CB ILE A 24 -8.557 2.189 -13.827 1.00 0.00 C ATOM 140 CG1 ILE A 24 -8.837 1.101 -14.852 1.00 0.00 C ATOM 141 CG2 ILE A 24 -7.555 3.185 -14.429 1.00 0.00 C ATOM 142 CD1 ILE A 24 -7.549 0.321 -15.123 1.00 0.00 C ATOM 0 H ILE A 24 -9.725 0.412 -12.583 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.972 1.122 -12.788 1.00 0.00 H new ATOM 0 HB ILE A 24 -9.490 2.689 -13.566 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -9.612 0.429 -14.484 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.210 1.543 -15.776 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.981 3.632 -15.327 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -7.338 3.967 -13.702 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.633 2.663 -14.686 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.745 -0.460 -15.857 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.787 0.999 -15.508 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -7.196 -0.132 -14.196 1.00 0.00 H new ATOM 154 N GLU A 25 -8.784 2.997 -10.830 1.00 0.00 N ATOM 155 CA GLU A 25 -8.665 4.063 -9.809 1.00 0.00 C ATOM 156 C GLU A 25 -7.810 3.602 -8.638 1.00 0.00 C ATOM 157 O GLU A 25 -6.990 4.347 -8.138 1.00 0.00 O ATOM 158 CB GLU A 25 -10.071 4.403 -9.296 1.00 0.00 C ATOM 159 CG GLU A 25 -10.076 5.836 -8.758 1.00 0.00 C ATOM 160 CD GLU A 25 -11.464 6.165 -8.206 1.00 0.00 C ATOM 161 OE1 GLU A 25 -11.907 5.401 -7.364 1.00 0.00 O ATOM 162 OE2 GLU A 25 -12.003 7.161 -8.658 1.00 0.00 O ATOM 0 H GLU A 25 -9.705 2.567 -10.913 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.192 4.935 -10.260 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.799 4.301 -10.100 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.363 3.706 -8.511 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.326 5.945 -7.975 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.813 6.535 -9.552 1.00 0.00 H new ATOM 169 N GLU A 26 -8.014 2.386 -8.213 1.00 0.00 N ATOM 170 CA GLU A 26 -7.213 1.877 -7.077 1.00 0.00 C ATOM 171 C GLU A 26 -5.740 1.825 -7.451 1.00 0.00 C ATOM 172 O GLU A 26 -4.876 1.988 -6.613 1.00 0.00 O ATOM 173 CB GLU A 26 -7.696 0.457 -6.730 1.00 0.00 C ATOM 174 CG GLU A 26 -9.099 0.533 -6.119 1.00 0.00 C ATOM 175 CD GLU A 26 -9.385 -0.756 -5.345 1.00 0.00 C ATOM 176 OE1 GLU A 26 -9.306 -1.797 -5.977 1.00 0.00 O ATOM 177 OE2 GLU A 26 -9.665 -0.628 -4.164 1.00 0.00 O ATOM 0 H GLU A 26 -8.694 1.733 -8.601 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.336 2.542 -6.222 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.711 -0.163 -7.626 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.007 -0.012 -6.028 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.172 1.394 -5.454 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.843 0.672 -6.904 1.00 0.00 H new ATOM 184 N LEU A 27 -5.477 1.597 -8.709 1.00 0.00 N ATOM 185 CA LEU A 27 -4.068 1.533 -9.154 1.00 0.00 C ATOM 186 C LEU A 27 -3.427 2.904 -9.061 1.00 0.00 C ATOM 187 O LEU A 27 -2.412 3.082 -8.418 1.00 0.00 O ATOM 188 CB LEU A 27 -4.046 1.093 -10.624 1.00 0.00 C ATOM 189 CG LEU A 27 -3.947 -0.427 -10.702 1.00 0.00 C ATOM 190 CD1 LEU A 27 -4.403 -0.868 -12.084 1.00 0.00 C ATOM 191 CD2 LEU A 27 -2.493 -0.861 -10.496 1.00 0.00 C ATOM 0 H LEU A 27 -6.175 1.454 -9.439 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.521 0.833 -8.523 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.949 1.435 -11.130 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.200 1.549 -11.138 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.571 -0.878 -9.931 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.339 -1.954 -12.159 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.434 -0.553 -12.245 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.763 -0.414 -12.840 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.426 -1.947 -10.552 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.868 -0.418 -11.271 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.149 -0.527 -9.517 1.00 0.00 H new ATOM 203 N ARG A 28 -4.040 3.854 -9.706 1.00 0.00 N ATOM 204 CA ARG A 28 -3.490 5.229 -9.675 1.00 0.00 C ATOM 205 C ARG A 28 -3.220 5.692 -8.257 1.00 0.00 C ATOM 206 O ARG A 28 -2.241 6.366 -8.003 1.00 0.00 O ATOM 207 CB ARG A 28 -4.512 6.179 -10.319 1.00 0.00 C ATOM 208 CG ARG A 28 -3.813 7.489 -10.690 1.00 0.00 C ATOM 209 CD ARG A 28 -4.833 8.440 -11.318 1.00 0.00 C ATOM 210 NE ARG A 28 -5.541 7.729 -12.420 1.00 0.00 N ATOM 211 CZ ARG A 28 -6.019 8.415 -13.423 1.00 0.00 C ATOM 212 NH1 ARG A 28 -6.604 9.555 -13.185 1.00 0.00 N ATOM 213 NH2 ARG A 28 -5.890 7.938 -14.631 1.00 0.00 N ATOM 0 H ARG A 28 -4.894 3.736 -10.250 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.546 5.234 -10.220 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.945 5.719 -11.207 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.332 6.373 -9.628 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.371 7.944 -9.803 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.999 7.296 -11.389 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.547 8.777 -10.566 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.333 9.329 -11.703 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.651 6.715 -12.391 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.683 9.898 -12.228 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.983 10.104 -13.956 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.422 7.044 -14.779 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.257 8.459 -15.427 1.00 0.00 H new ATOM 227 N GLU A 29 -4.080 5.334 -7.351 1.00 0.00 N ATOM 228 CA GLU A 29 -3.856 5.763 -5.956 1.00 0.00 C ATOM 229 C GLU A 29 -2.653 5.043 -5.369 1.00 0.00 C ATOM 230 O GLU A 29 -1.850 5.633 -4.677 1.00 0.00 O ATOM 231 CB GLU A 29 -5.107 5.423 -5.133 1.00 0.00 C ATOM 232 CG GLU A 29 -5.959 6.687 -4.974 1.00 0.00 C ATOM 233 CD GLU A 29 -7.433 6.292 -4.856 1.00 0.00 C ATOM 234 OE1 GLU A 29 -7.735 5.613 -3.889 1.00 0.00 O ATOM 235 OE2 GLU A 29 -8.174 6.692 -5.739 1.00 0.00 O ATOM 0 H GLU A 29 -4.915 4.772 -7.515 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.666 6.836 -5.931 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.682 4.641 -5.629 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.821 5.037 -4.155 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.647 7.241 -4.088 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.815 7.347 -5.830 1.00 0.00 H new ATOM 242 N ALA A 30 -2.546 3.780 -5.660 1.00 0.00 N ATOM 243 CA ALA A 30 -1.403 3.007 -5.128 1.00 0.00 C ATOM 244 C ALA A 30 -0.094 3.486 -5.748 1.00 0.00 C ATOM 245 O ALA A 30 0.860 3.771 -5.049 1.00 0.00 O ATOM 246 CB ALA A 30 -1.613 1.530 -5.490 1.00 0.00 C ATOM 0 H ALA A 30 -3.199 3.254 -6.241 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.347 3.142 -4.048 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.781 0.940 -5.107 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.544 1.175 -5.047 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.664 1.425 -6.574 1.00 0.00 H new ATOM 252 N PHE A 31 -0.074 3.584 -7.052 1.00 0.00 N ATOM 253 CA PHE A 31 1.168 4.042 -7.721 1.00 0.00 C ATOM 254 C PHE A 31 1.581 5.392 -7.186 1.00 0.00 C ATOM 255 O PHE A 31 2.756 5.697 -7.074 1.00 0.00 O ATOM 256 CB PHE A 31 0.882 4.178 -9.220 1.00 0.00 C ATOM 257 CG PHE A 31 2.147 4.644 -9.945 1.00 0.00 C ATOM 258 CD1 PHE A 31 2.560 5.962 -9.874 1.00 0.00 C ATOM 259 CD2 PHE A 31 2.884 3.752 -10.702 1.00 0.00 C ATOM 260 CE1 PHE A 31 3.691 6.374 -10.551 1.00 0.00 C ATOM 261 CE2 PHE A 31 4.008 4.168 -11.376 1.00 0.00 C ATOM 262 CZ PHE A 31 4.411 5.473 -11.301 1.00 0.00 C ATOM 0 H PHE A 31 -0.855 3.369 -7.671 1.00 0.00 H new ATOM 0 HA PHE A 31 1.967 3.324 -7.537 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.550 3.222 -9.625 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.074 4.891 -9.383 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.996 6.672 -9.287 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.574 2.719 -10.764 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.010 7.404 -10.492 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.574 3.463 -11.966 1.00 0.00 H new ATOM 0 HZ PHE A 31 5.295 5.796 -11.831 1.00 0.00 H new ATOM 272 N ARG A 32 0.608 6.178 -6.851 1.00 0.00 N ATOM 273 CA ARG A 32 0.921 7.523 -6.320 1.00 0.00 C ATOM 274 C ARG A 32 1.180 7.471 -4.827 1.00 0.00 C ATOM 275 O ARG A 32 2.190 7.960 -4.358 1.00 0.00 O ATOM 276 CB ARG A 32 -0.269 8.439 -6.586 1.00 0.00 C ATOM 277 CG ARG A 32 -0.315 8.772 -8.079 1.00 0.00 C ATOM 278 CD ARG A 32 -1.422 9.796 -8.333 1.00 0.00 C ATOM 279 NE ARG A 32 -2.607 9.446 -7.500 1.00 0.00 N ATOM 280 CZ ARG A 32 -3.476 10.373 -7.203 1.00 0.00 C ATOM 281 NH1 ARG A 32 -4.421 10.653 -8.061 1.00 0.00 N ATOM 282 NH2 ARG A 32 -3.369 10.993 -6.060 1.00 0.00 N ATOM 0 H ARG A 32 -0.384 5.951 -6.921 1.00 0.00 H new ATOM 0 HA ARG A 32 1.818 7.897 -6.813 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.195 7.952 -6.280 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.180 9.353 -5.999 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.646 9.170 -8.405 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.499 7.868 -8.660 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.071 10.798 -8.087 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.693 9.804 -9.389 1.00 0.00 H new ATOM 0 HE ARG A 32 -2.738 8.491 -7.165 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -4.471 10.150 -8.947 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -5.109 11.375 -7.845 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -2.616 10.750 -5.417 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -4.039 11.721 -5.810 1.00 0.00 H new ATOM 296 N GLU A 33 0.266 6.891 -4.094 1.00 0.00 N ATOM 297 CA GLU A 33 0.472 6.811 -2.631 1.00 0.00 C ATOM 298 C GLU A 33 1.888 6.350 -2.346 1.00 0.00 C ATOM 299 O GLU A 33 2.409 6.546 -1.265 1.00 0.00 O ATOM 300 CB GLU A 33 -0.516 5.790 -2.045 1.00 0.00 C ATOM 301 CG GLU A 33 -0.462 5.860 -0.518 1.00 0.00 C ATOM 302 CD GLU A 33 -1.711 5.191 0.064 1.00 0.00 C ATOM 303 OE1 GLU A 33 -1.713 3.971 0.085 1.00 0.00 O ATOM 304 OE2 GLU A 33 -2.593 5.938 0.456 1.00 0.00 O ATOM 0 H GLU A 33 -0.598 6.478 -4.444 1.00 0.00 H new ATOM 0 HA GLU A 33 0.309 7.791 -2.182 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.526 6.001 -2.395 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.264 4.785 -2.384 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.436 5.362 -0.151 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.406 6.899 -0.192 1.00 0.00 H new ATOM 311 N PHE A 34 2.487 5.745 -3.340 1.00 0.00 N ATOM 312 CA PHE A 34 3.868 5.255 -3.178 1.00 0.00 C ATOM 313 C PHE A 34 4.859 6.245 -3.784 1.00 0.00 C ATOM 314 O PHE A 34 5.986 6.344 -3.343 1.00 0.00 O ATOM 315 CB PHE A 34 3.989 3.912 -3.908 1.00 0.00 C ATOM 316 CG PHE A 34 3.792 2.778 -2.901 1.00 0.00 C ATOM 317 CD1 PHE A 34 4.740 2.535 -1.925 1.00 0.00 C ATOM 318 CD2 PHE A 34 2.660 1.979 -2.952 1.00 0.00 C ATOM 319 CE1 PHE A 34 4.561 1.514 -1.014 1.00 0.00 C ATOM 320 CE2 PHE A 34 2.484 0.959 -2.040 1.00 0.00 C ATOM 321 CZ PHE A 34 3.434 0.728 -1.073 1.00 0.00 C ATOM 0 H PHE A 34 2.069 5.574 -4.255 1.00 0.00 H new ATOM 0 HA PHE A 34 4.093 5.142 -2.118 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.243 3.846 -4.700 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.967 3.828 -4.383 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.627 3.149 -1.875 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.912 2.156 -3.710 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.307 1.332 -0.254 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.599 0.341 -2.086 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.295 -0.071 -0.360 1.00 0.00 H new ATOM 331 N ASP A 35 4.418 6.963 -4.789 1.00 0.00 N ATOM 332 CA ASP A 35 5.313 7.944 -5.429 1.00 0.00 C ATOM 333 C ASP A 35 5.100 9.306 -4.799 1.00 0.00 C ATOM 334 O ASP A 35 4.541 10.197 -5.409 1.00 0.00 O ATOM 335 CB ASP A 35 4.963 8.020 -6.922 1.00 0.00 C ATOM 336 CG ASP A 35 6.079 8.752 -7.667 1.00 0.00 C ATOM 337 OD1 ASP A 35 7.207 8.310 -7.524 1.00 0.00 O ATOM 338 OD2 ASP A 35 5.741 9.713 -8.339 1.00 0.00 O ATOM 0 H ASP A 35 3.479 6.904 -5.184 1.00 0.00 H new ATOM 0 HA ASP A 35 6.352 7.643 -5.298 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.836 7.017 -7.329 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.016 8.542 -7.059 1.00 0.00 H new ATOM 343 N LYS A 36 5.557 9.436 -3.583 1.00 0.00 N ATOM 344 CA LYS A 36 5.406 10.720 -2.865 1.00 0.00 C ATOM 345 C LYS A 36 6.742 11.393 -2.736 1.00 0.00 C ATOM 346 O LYS A 36 6.866 12.429 -2.113 1.00 0.00 O ATOM 347 CB LYS A 36 4.864 10.431 -1.456 1.00 0.00 C ATOM 348 CG LYS A 36 5.812 9.463 -0.738 1.00 0.00 C ATOM 349 CD LYS A 36 5.519 9.498 0.764 1.00 0.00 C ATOM 350 CE LYS A 36 6.196 8.305 1.440 1.00 0.00 C ATOM 351 NZ LYS A 36 7.671 8.512 1.510 1.00 0.00 N ATOM 0 H LYS A 36 6.030 8.700 -3.059 1.00 0.00 H new ATOM 0 HA LYS A 36 4.725 11.368 -3.416 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.776 11.359 -0.890 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.865 10.000 -1.519 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.680 8.452 -1.124 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.849 9.743 -0.926 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.884 10.430 1.196 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.443 9.466 0.937 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.793 8.172 2.444 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.977 7.393 0.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.115 7.693 1.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.053 8.616 0.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.875 9.371 2.059 1.00 0.00 H new ATOM 365 N ASP A 37 7.729 10.796 -3.330 1.00 0.00 N ATOM 366 CA ASP A 37 9.067 11.388 -3.251 1.00 0.00 C ATOM 367 C ASP A 37 9.273 12.354 -4.388 1.00 0.00 C ATOM 368 O ASP A 37 8.884 13.501 -4.309 1.00 0.00 O ATOM 369 CB ASP A 37 10.112 10.265 -3.356 1.00 0.00 C ATOM 370 CG ASP A 37 9.653 9.239 -4.394 1.00 0.00 C ATOM 371 OD1 ASP A 37 8.701 9.558 -5.087 1.00 0.00 O ATOM 372 OD2 ASP A 37 10.281 8.193 -4.435 1.00 0.00 O ATOM 0 H ASP A 37 7.660 9.929 -3.862 1.00 0.00 H new ATOM 0 HA ASP A 37 9.171 11.920 -2.305 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.079 10.679 -3.641 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.244 9.784 -2.387 1.00 0.00 H new ATOM 377 N LYS A 38 9.835 11.853 -5.447 1.00 0.00 N ATOM 378 CA LYS A 38 10.092 12.712 -6.630 1.00 0.00 C ATOM 379 C LYS A 38 10.768 11.918 -7.745 1.00 0.00 C ATOM 380 O LYS A 38 11.978 11.900 -7.844 1.00 0.00 O ATOM 381 CB LYS A 38 11.052 13.847 -6.217 1.00 0.00 C ATOM 382 CG LYS A 38 11.237 14.784 -7.401 1.00 0.00 C ATOM 383 CD LYS A 38 10.453 16.079 -7.146 1.00 0.00 C ATOM 384 CE LYS A 38 10.727 17.069 -8.283 1.00 0.00 C ATOM 385 NZ LYS A 38 11.390 18.297 -7.759 1.00 0.00 N ATOM 0 H LYS A 38 10.129 10.881 -5.545 1.00 0.00 H new ATOM 0 HA LYS A 38 9.138 13.100 -6.987 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.648 14.392 -5.364 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.013 13.435 -5.907 1.00 0.00 H new ATOM 0 HG2 LYS A 38 12.295 15.007 -7.542 1.00 0.00 H new ATOM 0 HG3 LYS A 38 10.887 14.307 -8.316 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.386 15.865 -7.084 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.747 16.514 -6.191 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.360 16.600 -9.036 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.791 17.336 -8.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.568 18.957 -8.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.772 18.752 -7.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.293 18.040 -7.311 1.00 0.00 H new ATOM 399 N ASP A 39 9.984 11.275 -8.569 1.00 0.00 N ATOM 400 CA ASP A 39 10.586 10.489 -9.671 1.00 0.00 C ATOM 401 C ASP A 39 9.577 10.276 -10.783 1.00 0.00 C ATOM 402 O ASP A 39 9.929 9.885 -11.879 1.00 0.00 O ATOM 403 CB ASP A 39 11.003 9.115 -9.119 1.00 0.00 C ATOM 404 CG ASP A 39 12.150 9.294 -8.126 1.00 0.00 C ATOM 405 OD1 ASP A 39 13.198 9.722 -8.580 1.00 0.00 O ATOM 406 OD2 ASP A 39 11.915 8.991 -6.967 1.00 0.00 O ATOM 0 H ASP A 39 8.965 11.263 -8.524 1.00 0.00 H new ATOM 0 HA ASP A 39 11.446 11.029 -10.068 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.155 8.635 -8.630 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.312 8.462 -9.935 1.00 0.00 H new ATOM 411 N GLY A 40 8.335 10.541 -10.484 1.00 0.00 N ATOM 412 CA GLY A 40 7.285 10.357 -11.517 1.00 0.00 C ATOM 413 C GLY A 40 7.284 8.901 -11.979 1.00 0.00 C ATOM 414 O GLY A 40 6.460 8.494 -12.772 1.00 0.00 O ATOM 0 H GLY A 40 8.007 10.874 -9.577 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.309 10.623 -11.112 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.470 11.019 -12.363 1.00 0.00 H new ATOM 418 N TYR A 41 8.207 8.145 -11.443 1.00 0.00 N ATOM 419 CA TYR A 41 8.306 6.711 -11.816 1.00 0.00 C ATOM 420 C TYR A 41 8.786 5.884 -10.629 1.00 0.00 C ATOM 421 O TYR A 41 9.608 6.338 -9.859 1.00 0.00 O ATOM 422 CB TYR A 41 9.337 6.577 -12.950 1.00 0.00 C ATOM 423 CG TYR A 41 9.003 7.563 -14.068 1.00 0.00 C ATOM 424 CD1 TYR A 41 7.804 7.479 -14.742 1.00 0.00 C ATOM 425 CD2 TYR A 41 9.899 8.548 -14.420 1.00 0.00 C ATOM 426 CE1 TYR A 41 7.504 8.367 -15.753 1.00 0.00 C ATOM 427 CE2 TYR A 41 9.600 9.437 -15.430 1.00 0.00 C ATOM 428 CZ TYR A 41 8.400 9.353 -16.104 1.00 0.00 C ATOM 429 OH TYR A 41 8.101 10.244 -17.114 1.00 0.00 O ATOM 0 H TYR A 41 8.896 8.464 -10.762 1.00 0.00 H new ATOM 0 HA TYR A 41 7.325 6.352 -12.129 1.00 0.00 H new ATOM 0 HB2 TYR A 41 10.339 6.771 -12.568 1.00 0.00 H new ATOM 0 HB3 TYR A 41 9.335 5.558 -13.338 1.00 0.00 H new ATOM 0 HD1 TYR A 41 7.093 6.711 -14.476 1.00 0.00 H new ATOM 0 HD2 TYR A 41 10.843 8.624 -13.901 1.00 0.00 H new ATOM 0 HE1 TYR A 41 6.561 8.289 -16.273 1.00 0.00 H new ATOM 0 HE2 TYR A 41 10.311 10.205 -15.696 1.00 0.00 H new ATOM 0 HH TYR A 41 8.845 10.872 -17.227 1.00 0.00 H new ATOM 439 N ILE A 42 8.274 4.681 -10.500 1.00 0.00 N ATOM 440 CA ILE A 42 8.710 3.829 -9.357 1.00 0.00 C ATOM 441 C ILE A 42 9.782 2.849 -9.779 1.00 0.00 C ATOM 442 O ILE A 42 9.872 2.477 -10.932 1.00 0.00 O ATOM 443 CB ILE A 42 7.519 3.021 -8.831 1.00 0.00 C ATOM 444 CG1 ILE A 42 6.395 3.015 -9.837 1.00 0.00 C ATOM 445 CG2 ILE A 42 7.012 3.665 -7.534 1.00 0.00 C ATOM 446 CD1 ILE A 42 5.480 1.832 -9.528 1.00 0.00 C ATOM 0 H ILE A 42 7.586 4.262 -11.126 1.00 0.00 H new ATOM 0 HA ILE A 42 9.106 4.491 -8.587 1.00 0.00 H new ATOM 0 HB ILE A 42 7.843 1.996 -8.652 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.837 3.950 -9.788 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.792 2.934 -10.849 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.164 3.096 -7.153 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.811 3.667 -6.792 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.700 4.690 -7.734 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.659 1.810 -10.245 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.048 0.905 -9.598 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.078 1.936 -8.520 1.00 0.00 H new ATOM 458 N ASN A 43 10.579 2.454 -8.827 1.00 0.00 N ATOM 459 CA ASN A 43 11.664 1.493 -9.110 1.00 0.00 C ATOM 460 C ASN A 43 11.388 0.212 -8.358 1.00 0.00 C ATOM 461 O ASN A 43 10.716 0.231 -7.346 1.00 0.00 O ATOM 462 CB ASN A 43 12.996 2.083 -8.614 1.00 0.00 C ATOM 463 CG ASN A 43 12.721 3.107 -7.508 1.00 0.00 C ATOM 464 OD1 ASN A 43 11.824 4.033 -7.708 1.00 0.00 O flip ATOM 465 ND2 ASN A 43 13.323 3.071 -6.453 1.00 0.00 N flip ATOM 0 H ASN A 43 10.519 2.763 -7.857 1.00 0.00 H new ATOM 0 HA ASN A 43 11.719 1.296 -10.181 1.00 0.00 H new ATOM 0 HB2 ASN A 43 13.640 1.288 -8.237 1.00 0.00 H new ATOM 0 HB3 ASN A 43 13.526 2.557 -9.440 1.00 0.00 H new ATOM 0 HD21 ASN A 43 14.025 2.349 -6.291 1.00 0.00 H new ATOM 0 HD22 ASN A 43 13.126 3.762 -5.729 1.00 0.00 H new ATOM 472 N CYS A 44 11.889 -0.879 -8.862 1.00 0.00 N ATOM 473 CA CYS A 44 11.654 -2.169 -8.169 1.00 0.00 C ATOM 474 C CYS A 44 11.779 -1.992 -6.659 1.00 0.00 C ATOM 475 O CYS A 44 11.108 -2.660 -5.898 1.00 0.00 O ATOM 476 CB CYS A 44 12.711 -3.172 -8.653 1.00 0.00 C ATOM 477 SG CYS A 44 14.398 -2.972 -8.023 1.00 0.00 S ATOM 0 H CYS A 44 12.445 -0.932 -9.715 1.00 0.00 H new ATOM 0 HA CYS A 44 10.650 -2.529 -8.393 1.00 0.00 H new ATOM 0 HB2 CYS A 44 12.370 -4.174 -8.391 1.00 0.00 H new ATOM 0 HB3 CYS A 44 12.749 -3.122 -9.741 1.00 0.00 H new ATOM 0 HG CYS A 44 15.161 -3.897 -8.525 1.00 0.00 H new ATOM 483 N ARG A 45 12.639 -1.091 -6.251 1.00 0.00 N ATOM 484 CA ARG A 45 12.806 -0.867 -4.796 1.00 0.00 C ATOM 485 C ARG A 45 11.462 -0.512 -4.202 1.00 0.00 C ATOM 486 O ARG A 45 10.941 -1.222 -3.366 1.00 0.00 O ATOM 487 CB ARG A 45 13.772 0.308 -4.582 1.00 0.00 C ATOM 488 CG ARG A 45 15.101 0.000 -5.272 1.00 0.00 C ATOM 489 CD ARG A 45 16.144 1.030 -4.833 1.00 0.00 C ATOM 490 NE ARG A 45 17.506 0.495 -5.119 1.00 0.00 N ATOM 491 CZ ARG A 45 18.102 -0.251 -4.230 1.00 0.00 C ATOM 492 NH1 ARG A 45 17.478 -0.534 -3.120 1.00 0.00 N ATOM 493 NH2 ARG A 45 19.305 -0.693 -4.483 1.00 0.00 N ATOM 0 H ARG A 45 13.221 -0.513 -6.857 1.00 0.00 H new ATOM 0 HA ARG A 45 13.201 -1.765 -4.320 1.00 0.00 H new ATOM 0 HB2 ARG A 45 13.343 1.225 -4.986 1.00 0.00 H new ATOM 0 HB3 ARG A 45 13.932 0.473 -3.517 1.00 0.00 H new ATOM 0 HG2 ARG A 45 15.434 -1.005 -5.015 1.00 0.00 H new ATOM 0 HG3 ARG A 45 14.978 0.028 -6.355 1.00 0.00 H new ATOM 0 HD2 ARG A 45 15.990 1.970 -5.362 1.00 0.00 H new ATOM 0 HD3 ARG A 45 16.039 1.242 -3.769 1.00 0.00 H new ATOM 0 HE ARG A 45 17.968 0.710 -6.002 1.00 0.00 H new ATOM 0 HH11 ARG A 45 16.538 -0.173 -2.957 1.00 0.00 H new ATOM 0 HH12 ARG A 45 17.930 -1.116 -2.415 1.00 0.00 H new ATOM 0 HH21 ARG A 45 19.762 -0.453 -5.363 1.00 0.00 H new ATOM 0 HH22 ARG A 45 19.788 -1.278 -3.801 1.00 0.00 H new ATOM 507 N ASP A 46 10.918 0.592 -4.643 1.00 0.00 N ATOM 508 CA ASP A 46 9.609 1.004 -4.117 1.00 0.00 C ATOM 509 C ASP A 46 8.584 -0.044 -4.493 1.00 0.00 C ATOM 510 O ASP A 46 7.825 -0.507 -3.663 1.00 0.00 O ATOM 511 CB ASP A 46 9.214 2.340 -4.765 1.00 0.00 C ATOM 512 CG ASP A 46 9.809 3.493 -3.955 1.00 0.00 C ATOM 513 OD1 ASP A 46 10.992 3.401 -3.672 1.00 0.00 O ATOM 514 OD2 ASP A 46 9.047 4.401 -3.667 1.00 0.00 O ATOM 0 H ASP A 46 11.329 1.214 -5.339 1.00 0.00 H new ATOM 0 HA ASP A 46 9.655 1.113 -3.033 1.00 0.00 H new ATOM 0 HB2 ASP A 46 9.575 2.379 -5.793 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.129 2.431 -4.804 1.00 0.00 H new ATOM 519 N LEU A 47 8.580 -0.398 -5.757 1.00 0.00 N ATOM 520 CA LEU A 47 7.628 -1.412 -6.234 1.00 0.00 C ATOM 521 C LEU A 47 7.520 -2.554 -5.234 1.00 0.00 C ATOM 522 O LEU A 47 6.438 -2.875 -4.779 1.00 0.00 O ATOM 523 CB LEU A 47 8.162 -1.962 -7.562 1.00 0.00 C ATOM 524 CG LEU A 47 6.996 -2.278 -8.488 1.00 0.00 C ATOM 525 CD1 LEU A 47 5.987 -3.138 -7.738 1.00 0.00 C ATOM 526 CD2 LEU A 47 6.335 -0.975 -8.948 1.00 0.00 C ATOM 0 H LEU A 47 9.203 -0.018 -6.470 1.00 0.00 H new ATOM 0 HA LEU A 47 6.642 -0.965 -6.357 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.824 -1.233 -8.030 1.00 0.00 H new ATOM 0 HB3 LEU A 47 8.753 -2.861 -7.384 1.00 0.00 H new ATOM 0 HG LEU A 47 7.355 -2.818 -9.364 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.148 -3.370 -8.394 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.465 -4.064 -7.419 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.626 -2.596 -6.864 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.501 -1.205 -9.611 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.969 -0.427 -8.080 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.065 -0.365 -9.481 1.00 0.00 H new ATOM 538 N GLY A 48 8.647 -3.162 -4.915 1.00 0.00 N ATOM 539 CA GLY A 48 8.620 -4.284 -3.945 1.00 0.00 C ATOM 540 C GLY A 48 7.699 -3.921 -2.791 1.00 0.00 C ATOM 541 O GLY A 48 6.960 -4.749 -2.290 1.00 0.00 O ATOM 0 H GLY A 48 9.567 -2.925 -5.286 1.00 0.00 H new ATOM 0 HA2 GLY A 48 8.271 -5.194 -4.433 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.625 -4.486 -3.575 1.00 0.00 H new ATOM 545 N ASN A 49 7.758 -2.678 -2.397 1.00 0.00 N ATOM 546 CA ASN A 49 6.898 -2.230 -1.285 1.00 0.00 C ATOM 547 C ASN A 49 5.446 -2.218 -1.733 1.00 0.00 C ATOM 548 O ASN A 49 4.558 -2.604 -0.995 1.00 0.00 O ATOM 549 CB ASN A 49 7.314 -0.805 -0.890 1.00 0.00 C ATOM 550 CG ASN A 49 7.276 -0.674 0.634 1.00 0.00 C ATOM 551 OD1 ASN A 49 6.927 0.358 1.169 1.00 0.00 O ATOM 552 ND2 ASN A 49 7.628 -1.695 1.367 1.00 0.00 N ATOM 0 H ASN A 49 8.364 -1.963 -2.800 1.00 0.00 H new ATOM 0 HA ASN A 49 7.007 -2.907 -0.438 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.316 -0.590 -1.261 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.643 -0.078 -1.346 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.609 -1.623 2.384 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.922 -2.565 0.923 1.00 0.00 H new ATOM 559 N CYS A 50 5.225 -1.775 -2.948 1.00 0.00 N ATOM 560 CA CYS A 50 3.840 -1.733 -3.462 1.00 0.00 C ATOM 561 C CYS A 50 3.376 -3.140 -3.774 1.00 0.00 C ATOM 562 O CYS A 50 2.202 -3.449 -3.705 1.00 0.00 O ATOM 563 CB CYS A 50 3.826 -0.906 -4.753 1.00 0.00 C ATOM 564 SG CYS A 50 4.483 0.775 -4.671 1.00 0.00 S ATOM 0 H CYS A 50 5.943 -1.446 -3.593 1.00 0.00 H new ATOM 0 HA CYS A 50 3.179 -1.288 -2.718 1.00 0.00 H new ATOM 0 HB2 CYS A 50 4.391 -1.452 -5.509 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.796 -0.848 -5.105 1.00 0.00 H new ATOM 0 HG CYS A 50 3.705 1.509 -3.933 1.00 0.00 H new ATOM 570 N MET A 51 4.318 -3.974 -4.116 1.00 0.00 N ATOM 571 CA MET A 51 3.974 -5.371 -4.440 1.00 0.00 C ATOM 572 C MET A 51 3.457 -6.070 -3.199 1.00 0.00 C ATOM 573 O MET A 51 2.625 -6.948 -3.277 1.00 0.00 O ATOM 574 CB MET A 51 5.244 -6.079 -4.921 1.00 0.00 C ATOM 575 CG MET A 51 5.212 -6.194 -6.444 1.00 0.00 C ATOM 576 SD MET A 51 4.271 -7.568 -7.152 1.00 0.00 S ATOM 577 CE MET A 51 4.630 -7.213 -8.889 1.00 0.00 C ATOM 0 H MET A 51 5.309 -3.741 -4.183 1.00 0.00 H new ATOM 0 HA MET A 51 3.205 -5.396 -5.212 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.126 -5.522 -4.605 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.314 -7.069 -4.471 1.00 0.00 H new ATOM 0 HG2 MET A 51 4.806 -5.265 -6.844 1.00 0.00 H new ATOM 0 HG3 MET A 51 6.240 -6.271 -6.798 1.00 0.00 H new ATOM 0 HE1 MET A 51 4.138 -7.953 -9.521 1.00 0.00 H new ATOM 0 HE2 MET A 51 4.262 -6.219 -9.141 1.00 0.00 H new ATOM 0 HE3 MET A 51 5.707 -7.253 -9.054 1.00 0.00 H new ATOM 587 N ARG A 52 3.971 -5.668 -2.069 1.00 0.00 N ATOM 588 CA ARG A 52 3.523 -6.292 -0.808 1.00 0.00 C ATOM 589 C ARG A 52 2.199 -5.683 -0.374 1.00 0.00 C ATOM 590 O ARG A 52 1.400 -6.320 0.283 1.00 0.00 O ATOM 591 CB ARG A 52 4.581 -6.015 0.276 1.00 0.00 C ATOM 592 CG ARG A 52 4.055 -6.502 1.630 1.00 0.00 C ATOM 593 CD ARG A 52 5.089 -6.193 2.715 1.00 0.00 C ATOM 594 NE ARG A 52 4.636 -6.798 4.000 1.00 0.00 N ATOM 595 CZ ARG A 52 5.219 -7.880 4.440 1.00 0.00 C ATOM 596 NH1 ARG A 52 6.482 -8.067 4.176 1.00 0.00 N ATOM 597 NH2 ARG A 52 4.517 -8.738 5.131 1.00 0.00 N ATOM 0 H ARG A 52 4.677 -4.938 -1.972 1.00 0.00 H new ATOM 0 HA ARG A 52 3.395 -7.365 -0.953 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.513 -6.524 0.030 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.803 -4.949 0.321 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.109 -6.013 1.863 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.859 -7.574 1.593 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.063 -6.593 2.433 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.207 -5.115 2.827 1.00 0.00 H new ATOM 0 HE ARG A 52 3.877 -6.370 4.531 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.998 -7.374 3.634 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.954 -8.906 4.512 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.531 -8.557 5.318 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.955 -9.589 5.483 1.00 0.00 H new ATOM 611 N THR A 53 1.994 -4.451 -0.755 1.00 0.00 N ATOM 612 CA THR A 53 0.733 -3.769 -0.384 1.00 0.00 C ATOM 613 C THR A 53 -0.367 -4.051 -1.407 1.00 0.00 C ATOM 614 O THR A 53 -1.510 -3.691 -1.204 1.00 0.00 O ATOM 615 CB THR A 53 0.997 -2.258 -0.351 1.00 0.00 C ATOM 616 OG1 THR A 53 1.511 -1.993 0.938 1.00 0.00 O ATOM 617 CG2 THR A 53 -0.323 -1.470 -0.412 1.00 0.00 C ATOM 0 H THR A 53 2.647 -3.893 -1.306 1.00 0.00 H new ATOM 0 HA THR A 53 0.404 -4.137 0.588 1.00 0.00 H new ATOM 0 HB THR A 53 1.647 -1.980 -1.181 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.703 -1.036 1.023 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.110 -0.401 -0.387 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.850 -1.714 -1.334 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.945 -1.736 0.442 1.00 0.00 H new ATOM 625 N MET A 54 0.004 -4.693 -2.488 1.00 0.00 N ATOM 626 CA MET A 54 -0.999 -5.011 -3.541 1.00 0.00 C ATOM 627 C MET A 54 -0.889 -6.466 -3.972 1.00 0.00 C ATOM 628 O MET A 54 -1.819 -7.025 -4.518 1.00 0.00 O ATOM 629 CB MET A 54 -0.719 -4.117 -4.762 1.00 0.00 C ATOM 630 CG MET A 54 -1.118 -2.676 -4.437 1.00 0.00 C ATOM 631 SD MET A 54 -1.508 -1.589 -5.828 1.00 0.00 S ATOM 632 CE MET A 54 -3.293 -1.879 -5.844 1.00 0.00 C ATOM 0 H MET A 54 0.955 -5.008 -2.683 1.00 0.00 H new ATOM 0 HA MET A 54 -1.999 -4.837 -3.143 1.00 0.00 H new ATOM 0 HB2 MET A 54 0.338 -4.163 -5.026 1.00 0.00 H new ATOM 0 HB3 MET A 54 -1.279 -4.475 -5.626 1.00 0.00 H new ATOM 0 HG2 MET A 54 -1.987 -2.707 -3.779 1.00 0.00 H new ATOM 0 HG3 MET A 54 -0.305 -2.221 -3.871 1.00 0.00 H new ATOM 0 HE1 MET A 54 -3.749 -1.294 -6.643 1.00 0.00 H new ATOM 0 HE2 MET A 54 -3.488 -2.938 -6.013 1.00 0.00 H new ATOM 0 HE3 MET A 54 -3.719 -1.580 -4.886 1.00 0.00 H new ATOM 642 N GLY A 55 0.249 -7.056 -3.721 1.00 0.00 N ATOM 643 CA GLY A 55 0.434 -8.482 -4.113 1.00 0.00 C ATOM 644 C GLY A 55 0.128 -9.411 -2.934 1.00 0.00 C ATOM 645 O GLY A 55 -0.690 -10.302 -3.041 1.00 0.00 O ATOM 0 H GLY A 55 1.050 -6.618 -3.267 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.220 -8.722 -4.951 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.458 -8.641 -4.452 1.00 0.00 H new ATOM 649 N TYR A 56 0.791 -9.181 -1.834 1.00 0.00 N ATOM 650 CA TYR A 56 0.548 -10.041 -0.650 1.00 0.00 C ATOM 651 C TYR A 56 0.519 -11.508 -1.048 1.00 0.00 C ATOM 652 O TYR A 56 -0.073 -12.324 -0.368 1.00 0.00 O ATOM 653 CB TYR A 56 -0.817 -9.658 -0.053 1.00 0.00 C ATOM 654 CG TYR A 56 -1.016 -10.385 1.280 1.00 0.00 C ATOM 655 CD1 TYR A 56 -0.382 -9.940 2.422 1.00 0.00 C ATOM 656 CD2 TYR A 56 -1.847 -11.485 1.363 1.00 0.00 C ATOM 657 CE1 TYR A 56 -0.575 -10.584 3.627 1.00 0.00 C ATOM 658 CE2 TYR A 56 -2.040 -12.128 2.569 1.00 0.00 C ATOM 659 CZ TYR A 56 -1.406 -11.683 3.710 1.00 0.00 C ATOM 660 OH TYR A 56 -1.603 -12.322 4.916 1.00 0.00 O ATOM 0 H TYR A 56 1.483 -8.442 -1.707 1.00 0.00 H new ATOM 0 HA TYR A 56 1.349 -9.894 0.075 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -0.870 -8.580 0.098 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -1.616 -9.923 -0.746 1.00 0.00 H new ATOM 0 HD1 TYR A 56 0.270 -9.081 2.372 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -2.350 -11.845 0.477 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -0.072 -10.225 4.513 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.693 -12.987 2.620 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.218 -13.074 4.791 1.00 0.00 H new ATOM 670 N MET A 57 1.163 -11.811 -2.150 1.00 0.00 N ATOM 671 CA MET A 57 1.197 -13.225 -2.632 1.00 0.00 C ATOM 672 C MET A 57 2.632 -13.773 -2.841 1.00 0.00 C ATOM 673 O MET A 57 2.854 -14.963 -2.716 1.00 0.00 O ATOM 674 CB MET A 57 0.462 -13.282 -3.980 1.00 0.00 C ATOM 675 CG MET A 57 0.066 -14.732 -4.273 1.00 0.00 C ATOM 676 SD MET A 57 -0.591 -15.099 -5.920 1.00 0.00 S ATOM 677 CE MET A 57 0.778 -16.142 -6.477 1.00 0.00 C ATOM 0 H MET A 57 1.664 -11.141 -2.734 1.00 0.00 H new ATOM 0 HA MET A 57 0.726 -13.842 -1.867 1.00 0.00 H new ATOM 0 HB2 MET A 57 -0.424 -12.648 -3.952 1.00 0.00 H new ATOM 0 HB3 MET A 57 1.103 -12.899 -4.774 1.00 0.00 H new ATOM 0 HG2 MET A 57 0.943 -15.360 -4.112 1.00 0.00 H new ATOM 0 HG3 MET A 57 -0.680 -15.033 -3.538 1.00 0.00 H new ATOM 0 HE1 MET A 57 0.582 -16.489 -7.492 1.00 0.00 H new ATOM 0 HE2 MET A 57 1.703 -15.566 -6.463 1.00 0.00 H new ATOM 0 HE3 MET A 57 0.875 -17.001 -5.813 1.00 0.00 H new ATOM 687 N PRO A 58 3.585 -12.903 -3.160 1.00 0.00 N ATOM 688 CA PRO A 58 4.964 -13.332 -3.379 1.00 0.00 C ATOM 689 C PRO A 58 5.721 -13.476 -2.060 1.00 0.00 C ATOM 690 O PRO A 58 5.144 -13.794 -1.038 1.00 0.00 O ATOM 691 CB PRO A 58 5.578 -12.180 -4.194 1.00 0.00 C ATOM 692 CG PRO A 58 4.692 -10.944 -3.933 1.00 0.00 C ATOM 693 CD PRO A 58 3.364 -11.464 -3.338 1.00 0.00 C ATOM 0 HA PRO A 58 5.015 -14.302 -3.874 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.607 -11.992 -3.887 1.00 0.00 H new ATOM 0 HB3 PRO A 58 5.601 -12.424 -5.256 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.181 -10.256 -3.243 1.00 0.00 H new ATOM 0 HG3 PRO A 58 4.513 -10.395 -4.857 1.00 0.00 H new ATOM 0 HD2 PRO A 58 3.135 -10.977 -2.390 1.00 0.00 H new ATOM 0 HD3 PRO A 58 2.526 -11.270 -4.007 1.00 0.00 H new ATOM 701 N THR A 59 7.006 -13.237 -2.120 1.00 0.00 N ATOM 702 CA THR A 59 7.841 -13.344 -0.914 1.00 0.00 C ATOM 703 C THR A 59 8.310 -11.973 -0.440 1.00 0.00 C ATOM 704 O THR A 59 7.517 -11.094 -0.164 1.00 0.00 O ATOM 705 CB THR A 59 9.055 -14.177 -1.285 1.00 0.00 C ATOM 706 OG1 THR A 59 8.555 -15.474 -1.536 1.00 0.00 O ATOM 707 CG2 THR A 59 9.973 -14.346 -0.089 1.00 0.00 C ATOM 0 H THR A 59 7.506 -12.970 -2.968 1.00 0.00 H new ATOM 0 HA THR A 59 7.264 -13.797 -0.108 1.00 0.00 H new ATOM 0 HB THR A 59 9.587 -13.711 -2.114 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.294 -16.067 -1.785 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.837 -14.946 -0.375 1.00 0.00 H new ATOM 0 HG22 THR A 59 10.308 -13.367 0.253 1.00 0.00 H new ATOM 0 HG23 THR A 59 9.434 -14.847 0.715 1.00 0.00 H new ATOM 715 N GLU A 60 9.592 -11.834 -0.358 1.00 0.00 N ATOM 716 CA GLU A 60 10.189 -10.559 0.087 1.00 0.00 C ATOM 717 C GLU A 60 11.341 -10.183 -0.832 1.00 0.00 C ATOM 718 O GLU A 60 11.820 -9.067 -0.813 1.00 0.00 O ATOM 719 CB GLU A 60 10.729 -10.757 1.516 1.00 0.00 C ATOM 720 CG GLU A 60 9.876 -9.954 2.501 1.00 0.00 C ATOM 721 CD GLU A 60 10.061 -10.525 3.909 1.00 0.00 C ATOM 722 OE1 GLU A 60 9.693 -11.676 4.078 1.00 0.00 O ATOM 723 OE2 GLU A 60 10.560 -9.778 4.735 1.00 0.00 O ATOM 0 H GLU A 60 10.266 -12.565 -0.585 1.00 0.00 H new ATOM 0 HA GLU A 60 9.441 -9.767 0.064 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.710 -11.814 1.780 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.768 -10.434 1.571 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.167 -8.904 2.480 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.826 -9.999 2.212 1.00 0.00 H new ATOM 730 N MET A 61 11.765 -11.145 -1.620 1.00 0.00 N ATOM 731 CA MET A 61 12.883 -10.901 -2.564 1.00 0.00 C ATOM 732 C MET A 61 12.509 -11.378 -3.948 1.00 0.00 C ATOM 733 O MET A 61 12.947 -10.831 -4.936 1.00 0.00 O ATOM 734 CB MET A 61 14.111 -11.684 -2.088 1.00 0.00 C ATOM 735 CG MET A 61 15.098 -10.707 -1.465 1.00 0.00 C ATOM 736 SD MET A 61 16.719 -11.352 -0.987 1.00 0.00 S ATOM 737 CE MET A 61 16.122 -12.782 -0.053 1.00 0.00 C ATOM 0 H MET A 61 11.378 -12.088 -1.643 1.00 0.00 H new ATOM 0 HA MET A 61 13.098 -9.833 -2.597 1.00 0.00 H new ATOM 0 HB2 MET A 61 13.818 -12.441 -1.361 1.00 0.00 H new ATOM 0 HB3 MET A 61 14.574 -12.207 -2.925 1.00 0.00 H new ATOM 0 HG2 MET A 61 15.255 -9.891 -2.170 1.00 0.00 H new ATOM 0 HG3 MET A 61 14.632 -10.277 -0.579 1.00 0.00 H new ATOM 0 HE1 MET A 61 16.937 -13.193 0.544 1.00 0.00 H new ATOM 0 HE2 MET A 61 15.310 -12.473 0.605 1.00 0.00 H new ATOM 0 HE3 MET A 61 15.759 -13.543 -0.744 1.00 0.00 H new ATOM 747 N GLU A 62 11.715 -12.405 -4.006 1.00 0.00 N ATOM 748 CA GLU A 62 11.315 -12.908 -5.326 1.00 0.00 C ATOM 749 C GLU A 62 10.479 -11.844 -6.017 1.00 0.00 C ATOM 750 O GLU A 62 10.542 -11.672 -7.226 1.00 0.00 O ATOM 751 CB GLU A 62 10.496 -14.217 -5.134 1.00 0.00 C ATOM 752 CG GLU A 62 9.111 -14.099 -5.796 1.00 0.00 C ATOM 753 CD GLU A 62 9.277 -13.936 -7.310 1.00 0.00 C ATOM 754 OE1 GLU A 62 10.085 -14.675 -7.849 1.00 0.00 O ATOM 755 OE2 GLU A 62 8.586 -13.082 -7.842 1.00 0.00 O ATOM 0 H GLU A 62 11.334 -12.907 -3.204 1.00 0.00 H new ATOM 0 HA GLU A 62 12.187 -13.127 -5.942 1.00 0.00 H new ATOM 0 HB2 GLU A 62 11.040 -15.058 -5.565 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.379 -14.425 -4.070 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.516 -14.986 -5.579 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.572 -13.245 -5.385 1.00 0.00 H new ATOM 762 N LEU A 63 9.719 -11.126 -5.229 1.00 0.00 N ATOM 763 CA LEU A 63 8.882 -10.073 -5.817 1.00 0.00 C ATOM 764 C LEU A 63 9.764 -9.166 -6.660 1.00 0.00 C ATOM 765 O LEU A 63 9.349 -8.655 -7.687 1.00 0.00 O ATOM 766 CB LEU A 63 8.189 -9.282 -4.666 1.00 0.00 C ATOM 767 CG LEU A 63 9.045 -8.091 -4.208 1.00 0.00 C ATOM 768 CD1 LEU A 63 8.270 -7.316 -3.133 1.00 0.00 C ATOM 769 CD2 LEU A 63 10.356 -8.601 -3.600 1.00 0.00 C ATOM 0 H LEU A 63 9.651 -11.232 -4.217 1.00 0.00 H new ATOM 0 HA LEU A 63 8.108 -10.497 -6.457 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.216 -8.924 -5.003 1.00 0.00 H new ATOM 0 HB3 LEU A 63 8.009 -9.948 -3.822 1.00 0.00 H new ATOM 0 HG LEU A 63 9.265 -7.448 -5.060 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.865 -6.467 -2.797 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.329 -6.958 -3.550 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.065 -7.973 -2.287 1.00 0.00 H new ATOM 0 HD21 LEU A 63 10.961 -7.754 -3.276 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.136 -9.238 -2.744 1.00 0.00 H new ATOM 0 HD23 LEU A 63 10.905 -9.174 -4.347 1.00 0.00 H new ATOM 781 N ILE A 64 10.982 -8.987 -6.212 1.00 0.00 N ATOM 782 CA ILE A 64 11.909 -8.140 -6.955 1.00 0.00 C ATOM 783 C ILE A 64 12.216 -8.799 -8.292 1.00 0.00 C ATOM 784 O ILE A 64 12.264 -8.147 -9.316 1.00 0.00 O ATOM 785 CB ILE A 64 13.195 -8.010 -6.112 1.00 0.00 C ATOM 786 CG1 ILE A 64 13.476 -6.556 -5.869 1.00 0.00 C ATOM 787 CG2 ILE A 64 14.399 -8.629 -6.861 1.00 0.00 C ATOM 788 CD1 ILE A 64 12.498 -6.033 -4.823 1.00 0.00 C ATOM 0 H ILE A 64 11.357 -9.401 -5.359 1.00 0.00 H new ATOM 0 HA ILE A 64 11.485 -7.154 -7.143 1.00 0.00 H new ATOM 0 HB ILE A 64 13.051 -8.536 -5.168 1.00 0.00 H new ATOM 0 HG12 ILE A 64 14.502 -6.422 -5.526 1.00 0.00 H new ATOM 0 HG13 ILE A 64 13.374 -5.992 -6.796 1.00 0.00 H new ATOM 0 HG21 ILE A 64 15.297 -8.528 -6.252 1.00 0.00 H new ATOM 0 HG22 ILE A 64 14.206 -9.685 -7.051 1.00 0.00 H new ATOM 0 HG23 ILE A 64 14.543 -8.111 -7.809 1.00 0.00 H new ATOM 0 HD11 ILE A 64 12.693 -4.977 -4.638 1.00 0.00 H new ATOM 0 HD12 ILE A 64 11.477 -6.156 -5.186 1.00 0.00 H new ATOM 0 HD13 ILE A 64 12.623 -6.592 -3.896 1.00 0.00 H new ATOM 800 N GLU A 65 12.419 -10.093 -8.255 1.00 0.00 N ATOM 801 CA GLU A 65 12.718 -10.807 -9.506 1.00 0.00 C ATOM 802 C GLU A 65 11.732 -10.380 -10.564 1.00 0.00 C ATOM 803 O GLU A 65 12.058 -10.288 -11.729 1.00 0.00 O ATOM 804 CB GLU A 65 12.573 -12.318 -9.261 1.00 0.00 C ATOM 805 CG GLU A 65 13.421 -13.076 -10.285 1.00 0.00 C ATOM 806 CD GLU A 65 12.680 -13.123 -11.622 1.00 0.00 C ATOM 807 OE1 GLU A 65 11.533 -13.538 -11.591 1.00 0.00 O ATOM 808 OE2 GLU A 65 13.302 -12.741 -12.600 1.00 0.00 O ATOM 0 H GLU A 65 12.388 -10.670 -7.414 1.00 0.00 H new ATOM 0 HA GLU A 65 13.732 -10.579 -9.834 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.894 -12.567 -8.249 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.527 -12.614 -9.346 1.00 0.00 H new ATOM 0 HG2 GLU A 65 14.386 -12.585 -10.409 1.00 0.00 H new ATOM 0 HG3 GLU A 65 13.620 -14.088 -9.931 1.00 0.00 H new ATOM 815 N LEU A 66 10.526 -10.129 -10.136 1.00 0.00 N ATOM 816 CA LEU A 66 9.493 -9.700 -11.100 1.00 0.00 C ATOM 817 C LEU A 66 9.823 -8.317 -11.613 1.00 0.00 C ATOM 818 O LEU A 66 9.945 -8.098 -12.812 1.00 0.00 O ATOM 819 CB LEU A 66 8.137 -9.664 -10.382 1.00 0.00 C ATOM 820 CG LEU A 66 7.986 -10.932 -9.540 1.00 0.00 C ATOM 821 CD1 LEU A 66 6.632 -10.906 -8.828 1.00 0.00 C ATOM 822 CD2 LEU A 66 8.050 -12.155 -10.458 1.00 0.00 C ATOM 0 H LEU A 66 10.219 -10.204 -9.166 1.00 0.00 H new ATOM 0 HA LEU A 66 9.456 -10.395 -11.939 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.070 -8.780 -9.747 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.328 -9.596 -11.109 1.00 0.00 H new ATOM 0 HG LEU A 66 8.787 -10.983 -8.803 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.520 -11.808 -8.226 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.577 -10.030 -8.182 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.833 -10.862 -9.568 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.943 -13.062 -9.863 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.244 -12.103 -11.190 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.009 -12.172 -10.976 1.00 0.00 H new ATOM 834 N SER A 67 9.970 -7.397 -10.706 1.00 0.00 N ATOM 835 CA SER A 67 10.294 -6.036 -11.138 1.00 0.00 C ATOM 836 C SER A 67 11.634 -6.047 -11.848 1.00 0.00 C ATOM 837 O SER A 67 12.036 -5.072 -12.445 1.00 0.00 O ATOM 838 CB SER A 67 10.359 -5.135 -9.909 1.00 0.00 C ATOM 839 OG SER A 67 11.085 -5.899 -8.962 1.00 0.00 O ATOM 0 H SER A 67 9.879 -7.536 -9.700 1.00 0.00 H new ATOM 0 HA SER A 67 9.532 -5.662 -11.822 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.861 -4.193 -10.131 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.363 -4.887 -9.543 1.00 0.00 H new ATOM 0 HG SER A 67 11.699 -6.503 -9.430 1.00 0.00 H new ATOM 845 N GLN A 68 12.312 -7.163 -11.749 1.00 0.00 N ATOM 846 CA GLN A 68 13.627 -7.285 -12.410 1.00 0.00 C ATOM 847 C GLN A 68 13.381 -7.746 -13.812 1.00 0.00 C ATOM 848 O GLN A 68 14.090 -7.387 -14.731 1.00 0.00 O ATOM 849 CB GLN A 68 14.469 -8.336 -11.667 1.00 0.00 C ATOM 850 CG GLN A 68 15.952 -8.096 -11.966 1.00 0.00 C ATOM 851 CD GLN A 68 16.806 -8.862 -10.953 1.00 0.00 C ATOM 852 OE1 GLN A 68 16.306 -9.633 -10.157 1.00 0.00 O ATOM 853 NE2 GLN A 68 18.098 -8.678 -10.946 1.00 0.00 N ATOM 0 H GLN A 68 12.004 -7.989 -11.237 1.00 0.00 H new ATOM 0 HA GLN A 68 14.158 -6.333 -12.403 1.00 0.00 H new ATOM 0 HB2 GLN A 68 14.287 -8.273 -10.594 1.00 0.00 H new ATOM 0 HB3 GLN A 68 14.180 -9.339 -11.981 1.00 0.00 H new ATOM 0 HG2 GLN A 68 16.188 -8.424 -12.978 1.00 0.00 H new ATOM 0 HG3 GLN A 68 16.177 -7.031 -11.916 1.00 0.00 H new ATOM 0 HE21 GLN A 68 18.525 -8.033 -11.611 1.00 0.00 H new ATOM 0 HE22 GLN A 68 18.681 -9.179 -10.276 1.00 0.00 H new ATOM 862 N GLN A 69 12.365 -8.552 -13.957 1.00 0.00 N ATOM 863 CA GLN A 69 12.039 -9.050 -15.289 1.00 0.00 C ATOM 864 C GLN A 69 11.851 -7.858 -16.187 1.00 0.00 C ATOM 865 O GLN A 69 12.220 -7.874 -17.345 1.00 0.00 O ATOM 866 CB GLN A 69 10.724 -9.832 -15.207 1.00 0.00 C ATOM 867 CG GLN A 69 10.554 -10.676 -16.470 1.00 0.00 C ATOM 868 CD GLN A 69 9.846 -11.979 -16.108 1.00 0.00 C ATOM 869 OE1 GLN A 69 10.068 -13.010 -16.713 1.00 0.00 O ATOM 870 NE2 GLN A 69 8.985 -11.978 -15.129 1.00 0.00 N ATOM 0 H GLN A 69 11.759 -8.877 -13.204 1.00 0.00 H new ATOM 0 HA GLN A 69 12.828 -9.697 -15.673 1.00 0.00 H new ATOM 0 HB2 GLN A 69 10.724 -10.473 -14.325 1.00 0.00 H new ATOM 0 HB3 GLN A 69 9.885 -9.144 -15.101 1.00 0.00 H new ATOM 0 HG2 GLN A 69 9.976 -10.128 -17.214 1.00 0.00 H new ATOM 0 HG3 GLN A 69 11.526 -10.887 -16.915 1.00 0.00 H new ATOM 0 HE21 GLN A 69 8.795 -11.116 -14.618 1.00 0.00 H new ATOM 0 HE22 GLN A 69 8.502 -12.839 -14.874 1.00 0.00 H new ATOM 879 N ILE A 70 11.268 -6.820 -15.623 1.00 0.00 N ATOM 880 CA ILE A 70 11.042 -5.593 -16.421 1.00 0.00 C ATOM 881 C ILE A 70 12.298 -5.257 -17.192 1.00 0.00 C ATOM 882 O ILE A 70 12.248 -4.669 -18.249 1.00 0.00 O ATOM 883 CB ILE A 70 10.755 -4.440 -15.463 1.00 0.00 C ATOM 884 CG1 ILE A 70 9.337 -4.536 -14.936 1.00 0.00 C ATOM 885 CG2 ILE A 70 10.902 -3.116 -16.228 1.00 0.00 C ATOM 886 CD1 ILE A 70 9.113 -3.414 -13.923 1.00 0.00 C ATOM 0 H ILE A 70 10.947 -6.781 -14.656 1.00 0.00 H new ATOM 0 HA ILE A 70 10.210 -5.749 -17.108 1.00 0.00 H new ATOM 0 HB ILE A 70 11.454 -4.486 -14.628 1.00 0.00 H new ATOM 0 HG12 ILE A 70 8.623 -4.453 -15.755 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.173 -5.506 -14.467 1.00 0.00 H new ATOM 0 HG21 ILE A 70 10.700 -2.283 -15.555 1.00 0.00 H new ATOM 0 HG22 ILE A 70 11.917 -3.031 -16.616 1.00 0.00 H new ATOM 0 HG23 ILE A 70 10.194 -3.094 -17.056 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.096 -3.471 -13.536 1.00 0.00 H new ATOM 0 HD12 ILE A 70 9.821 -3.519 -13.101 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.262 -2.450 -14.409 1.00 0.00 H new ATOM 898 N ASN A 71 13.411 -5.633 -16.633 1.00 0.00 N ATOM 899 CA ASN A 71 14.690 -5.355 -17.299 1.00 0.00 C ATOM 900 C ASN A 71 14.609 -5.700 -18.783 1.00 0.00 C ATOM 901 O ASN A 71 15.413 -5.250 -19.573 1.00 0.00 O ATOM 902 CB ASN A 71 15.772 -6.211 -16.621 1.00 0.00 C ATOM 903 CG ASN A 71 17.104 -6.019 -17.359 1.00 0.00 C ATOM 904 OD1 ASN A 71 17.471 -4.918 -17.721 1.00 0.00 O ATOM 905 ND2 ASN A 71 17.856 -7.060 -17.597 1.00 0.00 N ATOM 0 H ASN A 71 13.481 -6.122 -15.741 1.00 0.00 H new ATOM 0 HA ASN A 71 14.930 -4.295 -17.214 1.00 0.00 H new ATOM 0 HB2 ASN A 71 15.877 -5.923 -15.575 1.00 0.00 H new ATOM 0 HB3 ASN A 71 15.483 -7.262 -16.635 1.00 0.00 H new ATOM 0 HD21 ASN A 71 18.745 -6.946 -18.084 1.00 0.00 H new ATOM 0 HD22 ASN A 71 17.554 -7.987 -17.296 1.00 0.00 H new ATOM 912 N MET A 72 13.631 -6.494 -19.133 1.00 0.00 N ATOM 913 CA MET A 72 13.474 -6.881 -20.557 1.00 0.00 C ATOM 914 C MET A 72 12.667 -5.819 -21.294 1.00 0.00 C ATOM 915 O MET A 72 12.819 -5.624 -22.484 1.00 0.00 O ATOM 916 CB MET A 72 12.700 -8.215 -20.618 1.00 0.00 C ATOM 917 CG MET A 72 13.600 -9.301 -21.212 1.00 0.00 C ATOM 918 SD MET A 72 12.900 -10.966 -21.357 1.00 0.00 S ATOM 919 CE MET A 72 13.524 -11.338 -23.015 1.00 0.00 C ATOM 0 H MET A 72 12.940 -6.887 -18.494 1.00 0.00 H new ATOM 0 HA MET A 72 14.456 -6.980 -21.020 1.00 0.00 H new ATOM 0 HB2 MET A 72 12.374 -8.504 -19.619 1.00 0.00 H new ATOM 0 HB3 MET A 72 11.802 -8.099 -21.225 1.00 0.00 H new ATOM 0 HG2 MET A 72 13.910 -8.977 -22.205 1.00 0.00 H new ATOM 0 HG3 MET A 72 14.501 -9.365 -20.602 1.00 0.00 H new ATOM 0 HE1 MET A 72 13.203 -12.337 -23.309 1.00 0.00 H new ATOM 0 HE2 MET A 72 13.132 -10.608 -23.723 1.00 0.00 H new ATOM 0 HE3 MET A 72 14.613 -11.293 -23.013 1.00 0.00 H new ATOM 929 N ASN A 73 11.820 -5.154 -20.557 1.00 0.00 N ATOM 930 CA ASN A 73 10.979 -4.098 -21.161 1.00 0.00 C ATOM 931 C ASN A 73 11.678 -2.745 -21.106 1.00 0.00 C ATOM 932 O ASN A 73 12.082 -2.211 -22.121 1.00 0.00 O ATOM 933 CB ASN A 73 9.676 -4.010 -20.351 1.00 0.00 C ATOM 934 CG ASN A 73 8.861 -5.287 -20.559 1.00 0.00 C ATOM 935 OD1 ASN A 73 8.484 -5.957 -19.618 1.00 0.00 O ATOM 936 ND2 ASN A 73 8.570 -5.660 -21.774 1.00 0.00 N ATOM 0 H ASN A 73 11.678 -5.302 -19.558 1.00 0.00 H new ATOM 0 HA ASN A 73 10.786 -4.346 -22.205 1.00 0.00 H new ATOM 0 HB2 ASN A 73 9.901 -3.877 -19.293 1.00 0.00 H new ATOM 0 HB3 ASN A 73 9.098 -3.141 -20.665 1.00 0.00 H new ATOM 0 HD21 ASN A 73 8.029 -6.510 -21.931 1.00 0.00 H new ATOM 0 HD22 ASN A 73 8.884 -5.102 -22.568 1.00 0.00 H new ATOM 943 N LEU A 74 11.807 -2.217 -19.911 1.00 0.00 N ATOM 944 CA LEU A 74 12.471 -0.900 -19.748 1.00 0.00 C ATOM 945 C LEU A 74 13.845 -1.055 -19.113 1.00 0.00 C ATOM 946 O LEU A 74 14.839 -1.170 -19.802 1.00 0.00 O ATOM 947 CB LEU A 74 11.599 -0.039 -18.822 1.00 0.00 C ATOM 948 CG LEU A 74 10.251 0.209 -19.498 1.00 0.00 C ATOM 949 CD1 LEU A 74 9.286 0.833 -18.487 1.00 0.00 C ATOM 950 CD2 LEU A 74 10.451 1.174 -20.666 1.00 0.00 C ATOM 0 H LEU A 74 11.479 -2.647 -19.046 1.00 0.00 H new ATOM 0 HA LEU A 74 12.592 -0.438 -20.728 1.00 0.00 H new ATOM 0 HB2 LEU A 74 11.454 -0.542 -17.866 1.00 0.00 H new ATOM 0 HB3 LEU A 74 12.095 0.909 -18.611 1.00 0.00 H new ATOM 0 HG LEU A 74 9.840 -0.733 -19.862 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.323 1.012 -18.965 1.00 0.00 H new ATOM 0 HD12 LEU A 74 9.152 0.154 -17.645 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.694 1.778 -18.130 1.00 0.00 H new ATOM 0 HD21 LEU A 74 9.494 1.357 -21.155 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.855 2.116 -20.295 1.00 0.00 H new ATOM 0 HD23 LEU A 74 11.147 0.738 -21.383 1.00 0.00 H new ATOM 962 N GLY A 75 13.878 -1.056 -17.808 1.00 0.00 N ATOM 963 CA GLY A 75 15.189 -1.203 -17.115 1.00 0.00 C ATOM 964 C GLY A 75 15.074 -0.824 -15.635 1.00 0.00 C ATOM 965 O GLY A 75 15.636 0.163 -15.203 1.00 0.00 O ATOM 0 H GLY A 75 13.065 -0.963 -17.199 1.00 0.00 H new ATOM 0 HA2 GLY A 75 15.538 -2.232 -17.204 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.933 -0.571 -17.599 1.00 0.00 H new ATOM 969 N GLY A 76 14.349 -1.613 -14.882 1.00 0.00 N ATOM 970 CA GLY A 76 14.201 -1.296 -13.433 1.00 0.00 C ATOM 971 C GLY A 76 13.439 0.013 -13.261 1.00 0.00 C ATOM 972 O GLY A 76 13.691 0.772 -12.347 1.00 0.00 O ATOM 0 H GLY A 76 13.861 -2.449 -15.203 1.00 0.00 H new ATOM 0 HA2 GLY A 76 13.671 -2.104 -12.928 1.00 0.00 H new ATOM 0 HA3 GLY A 76 15.183 -1.218 -12.967 1.00 0.00 H new ATOM 976 N HIS A 77 12.522 0.246 -14.150 1.00 0.00 N ATOM 977 CA HIS A 77 11.723 1.488 -14.077 1.00 0.00 C ATOM 978 C HIS A 77 10.338 1.234 -14.633 1.00 0.00 C ATOM 979 O HIS A 77 10.197 0.641 -15.686 1.00 0.00 O ATOM 980 CB HIS A 77 12.413 2.565 -14.932 1.00 0.00 C ATOM 981 CG HIS A 77 12.593 3.839 -14.102 1.00 0.00 C ATOM 982 ND1 HIS A 77 13.590 4.589 -14.154 1.00 0.00 N ATOM 983 CD2 HIS A 77 11.747 4.416 -13.175 1.00 0.00 C ATOM 984 CE1 HIS A 77 13.472 5.576 -13.366 1.00 0.00 C ATOM 985 NE2 HIS A 77 12.321 5.553 -12.693 1.00 0.00 N ATOM 0 H HIS A 77 12.292 -0.374 -14.927 1.00 0.00 H new ATOM 0 HA HIS A 77 11.644 1.816 -13.041 1.00 0.00 H new ATOM 0 HB2 HIS A 77 13.381 2.204 -15.278 1.00 0.00 H new ATOM 0 HB3 HIS A 77 11.816 2.778 -15.819 1.00 0.00 H new ATOM 0 HD1 HIS A 77 14.398 4.428 -14.755 1.00 0.00 H new ATOM 0 HD2 HIS A 77 10.784 4.027 -12.879 1.00 0.00 H new ATOM 0 HE1 HIS A 77 14.219 6.348 -13.253 1.00 0.00 H new ATOM 993 N VAL A 78 9.339 1.681 -13.920 1.00 0.00 N ATOM 994 CA VAL A 78 7.957 1.470 -14.397 1.00 0.00 C ATOM 995 C VAL A 78 7.117 2.722 -14.261 1.00 0.00 C ATOM 996 O VAL A 78 7.084 3.361 -13.223 1.00 0.00 O ATOM 997 CB VAL A 78 7.331 0.335 -13.552 1.00 0.00 C ATOM 998 CG1 VAL A 78 8.197 0.096 -12.343 1.00 0.00 C ATOM 999 CG2 VAL A 78 5.924 0.718 -13.069 1.00 0.00 C ATOM 0 H VAL A 78 9.427 2.179 -13.034 1.00 0.00 H new ATOM 0 HA VAL A 78 7.983 1.209 -15.455 1.00 0.00 H new ATOM 0 HB VAL A 78 7.262 -0.559 -14.171 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.766 -0.702 -11.739 1.00 0.00 H new ATOM 0 HG12 VAL A 78 9.198 -0.192 -12.664 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.254 1.009 -11.750 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.508 -0.098 -12.478 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.982 1.618 -12.456 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.282 0.906 -13.930 1.00 0.00 H new ATOM 1009 N ASP A 79 6.472 3.046 -15.327 1.00 0.00 N ATOM 1010 CA ASP A 79 5.611 4.231 -15.345 1.00 0.00 C ATOM 1011 C ASP A 79 4.200 3.773 -15.111 1.00 0.00 C ATOM 1012 O ASP A 79 3.927 2.592 -15.209 1.00 0.00 O ATOM 1013 CB ASP A 79 5.707 4.899 -16.724 1.00 0.00 C ATOM 1014 CG ASP A 79 4.535 5.869 -16.897 1.00 0.00 C ATOM 1015 OD1 ASP A 79 4.214 6.510 -15.910 1.00 0.00 O ATOM 1016 OD2 ASP A 79 4.028 5.912 -18.005 1.00 0.00 O ATOM 0 H ASP A 79 6.508 2.527 -16.204 1.00 0.00 H new ATOM 0 HA ASP A 79 5.915 4.944 -14.578 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.653 5.433 -16.818 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.688 4.143 -17.509 1.00 0.00 H new ATOM 1021 N PHE A 80 3.327 4.666 -14.760 1.00 0.00 N ATOM 1022 CA PHE A 80 1.945 4.219 -14.530 1.00 0.00 C ATOM 1023 C PHE A 80 1.479 3.314 -15.666 1.00 0.00 C ATOM 1024 O PHE A 80 0.447 2.682 -15.576 1.00 0.00 O ATOM 1025 CB PHE A 80 1.010 5.426 -14.435 1.00 0.00 C ATOM 1026 CG PHE A 80 -0.257 4.969 -13.715 1.00 0.00 C ATOM 1027 CD1 PHE A 80 -0.178 4.415 -12.447 1.00 0.00 C ATOM 1028 CD2 PHE A 80 -1.487 5.045 -14.338 1.00 0.00 C ATOM 1029 CE1 PHE A 80 -1.306 3.941 -11.823 1.00 0.00 C ATOM 1030 CE2 PHE A 80 -2.616 4.570 -13.706 1.00 0.00 C ATOM 1031 CZ PHE A 80 -2.525 4.019 -12.449 1.00 0.00 C ATOM 0 H PHE A 80 3.508 5.661 -14.626 1.00 0.00 H new ATOM 0 HA PHE A 80 1.919 3.661 -13.594 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.488 6.240 -13.890 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.771 5.805 -15.429 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.777 4.356 -11.946 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -1.565 5.478 -15.324 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -1.234 3.506 -10.837 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.575 4.631 -14.199 1.00 0.00 H new ATOM 0 HZ PHE A 80 -3.411 3.648 -11.955 1.00 0.00 H new ATOM 1041 N ASP A 81 2.255 3.271 -16.718 1.00 0.00 N ATOM 1042 CA ASP A 81 1.883 2.418 -17.867 1.00 0.00 C ATOM 1043 C ASP A 81 2.367 0.982 -17.652 1.00 0.00 C ATOM 1044 O ASP A 81 1.622 0.044 -17.855 1.00 0.00 O ATOM 1045 CB ASP A 81 2.552 2.985 -19.126 1.00 0.00 C ATOM 1046 CG ASP A 81 1.926 4.337 -19.465 1.00 0.00 C ATOM 1047 OD1 ASP A 81 0.997 4.695 -18.759 1.00 0.00 O ATOM 1048 OD2 ASP A 81 2.411 4.938 -20.409 1.00 0.00 O ATOM 0 H ASP A 81 3.126 3.791 -16.824 1.00 0.00 H new ATOM 0 HA ASP A 81 0.798 2.409 -17.972 1.00 0.00 H new ATOM 0 HB2 ASP A 81 3.624 3.098 -18.963 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.428 2.294 -19.960 1.00 0.00 H new ATOM 1053 N ASP A 82 3.611 0.828 -17.242 1.00 0.00 N ATOM 1054 CA ASP A 82 4.127 -0.542 -17.019 1.00 0.00 C ATOM 1055 C ASP A 82 3.549 -1.084 -15.730 1.00 0.00 C ATOM 1056 O ASP A 82 3.506 -2.272 -15.506 1.00 0.00 O ATOM 1057 CB ASP A 82 5.660 -0.479 -16.899 1.00 0.00 C ATOM 1058 CG ASP A 82 6.284 -1.522 -17.830 1.00 0.00 C ATOM 1059 OD1 ASP A 82 5.927 -1.491 -18.995 1.00 0.00 O ATOM 1060 OD2 ASP A 82 7.083 -2.292 -17.321 1.00 0.00 O ATOM 0 H ASP A 82 4.270 1.585 -17.059 1.00 0.00 H new ATOM 0 HA ASP A 82 3.844 -1.189 -17.849 1.00 0.00 H new ATOM 0 HB2 ASP A 82 6.016 0.518 -17.160 1.00 0.00 H new ATOM 0 HB3 ASP A 82 5.964 -0.666 -15.869 1.00 0.00 H new ATOM 1065 N PHE A 83 3.111 -0.176 -14.912 1.00 0.00 N ATOM 1066 CA PHE A 83 2.517 -0.549 -13.611 1.00 0.00 C ATOM 1067 C PHE A 83 1.091 -1.027 -13.830 1.00 0.00 C ATOM 1068 O PHE A 83 0.656 -1.999 -13.242 1.00 0.00 O ATOM 1069 CB PHE A 83 2.530 0.730 -12.763 1.00 0.00 C ATOM 1070 CG PHE A 83 1.736 0.584 -11.466 1.00 0.00 C ATOM 1071 CD1 PHE A 83 2.368 0.182 -10.299 1.00 0.00 C ATOM 1072 CD2 PHE A 83 0.418 1.005 -11.400 1.00 0.00 C ATOM 1073 CE1 PHE A 83 1.697 0.216 -9.092 1.00 0.00 C ATOM 1074 CE2 PHE A 83 -0.246 1.038 -10.191 1.00 0.00 C ATOM 1075 CZ PHE A 83 0.390 0.648 -9.041 1.00 0.00 C ATOM 0 H PHE A 83 3.141 0.827 -15.096 1.00 0.00 H new ATOM 0 HA PHE A 83 3.067 -1.352 -13.120 1.00 0.00 H new ATOM 0 HB2 PHE A 83 3.561 0.994 -12.526 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.117 1.553 -13.347 1.00 0.00 H new ATOM 0 HD1 PHE A 83 3.392 -0.160 -10.334 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -0.093 1.310 -12.301 1.00 0.00 H new ATOM 0 HE1 PHE A 83 2.198 -0.096 -8.187 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.272 1.373 -10.150 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.133 0.679 -8.096 1.00 0.00 H new ATOM 1085 N VAL A 84 0.391 -0.334 -14.684 1.00 0.00 N ATOM 1086 CA VAL A 84 -1.004 -0.724 -14.967 1.00 0.00 C ATOM 1087 C VAL A 84 -1.004 -1.947 -15.869 1.00 0.00 C ATOM 1088 O VAL A 84 -1.895 -2.774 -15.812 1.00 0.00 O ATOM 1089 CB VAL A 84 -1.696 0.440 -15.696 1.00 0.00 C ATOM 1090 CG1 VAL A 84 -2.827 -0.102 -16.571 1.00 0.00 C ATOM 1091 CG2 VAL A 84 -2.276 1.406 -14.664 1.00 0.00 C ATOM 0 H VAL A 84 0.730 0.482 -15.193 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.529 -0.953 -14.039 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.970 0.959 -16.322 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.316 0.724 -17.087 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.418 -0.797 -17.305 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.554 -0.621 -15.946 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.768 2.233 -15.176 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.001 0.882 -14.042 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.473 1.793 -14.037 1.00 0.00 H new ATOM 1101 N GLU A 85 0.010 -2.038 -16.691 1.00 0.00 N ATOM 1102 CA GLU A 85 0.107 -3.190 -17.611 1.00 0.00 C ATOM 1103 C GLU A 85 0.486 -4.444 -16.838 1.00 0.00 C ATOM 1104 O GLU A 85 -0.022 -5.516 -17.104 1.00 0.00 O ATOM 1105 CB GLU A 85 1.200 -2.891 -18.652 1.00 0.00 C ATOM 1106 CG GLU A 85 1.190 -3.984 -19.722 1.00 0.00 C ATOM 1107 CD GLU A 85 0.291 -3.549 -20.880 1.00 0.00 C ATOM 1108 OE1 GLU A 85 0.757 -2.722 -21.646 1.00 0.00 O ATOM 1109 OE2 GLU A 85 -0.811 -4.068 -20.933 1.00 0.00 O ATOM 0 H GLU A 85 0.770 -1.361 -16.758 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.854 -3.351 -18.100 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.027 -1.917 -19.109 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.176 -2.847 -18.169 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.203 -4.166 -20.081 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.829 -4.921 -19.298 1.00 0.00 H new ATOM 1116 N LEU A 86 1.379 -4.292 -15.888 1.00 0.00 N ATOM 1117 CA LEU A 86 1.793 -5.473 -15.096 1.00 0.00 C ATOM 1118 C LEU A 86 0.624 -5.966 -14.257 1.00 0.00 C ATOM 1119 O LEU A 86 0.481 -7.147 -14.014 1.00 0.00 O ATOM 1120 CB LEU A 86 2.950 -5.066 -14.162 1.00 0.00 C ATOM 1121 CG LEU A 86 4.290 -5.529 -14.768 1.00 0.00 C ATOM 1122 CD1 LEU A 86 4.293 -7.060 -14.862 1.00 0.00 C ATOM 1123 CD2 LEU A 86 4.465 -4.928 -16.175 1.00 0.00 C ATOM 0 H LEU A 86 1.828 -3.411 -15.636 1.00 0.00 H new ATOM 0 HA LEU A 86 2.114 -6.269 -15.768 1.00 0.00 H new ATOM 0 HB2 LEU A 86 2.956 -3.985 -14.023 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.811 -5.513 -13.178 1.00 0.00 H new ATOM 0 HG LEU A 86 5.111 -5.194 -14.134 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.237 -7.396 -15.290 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.174 -7.486 -13.866 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.470 -7.387 -15.497 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.414 -5.259 -16.597 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.648 -5.258 -16.816 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.457 -3.840 -16.109 1.00 0.00 H new ATOM 1135 N MET A 87 -0.193 -5.042 -13.825 1.00 0.00 N ATOM 1136 CA MET A 87 -1.363 -5.427 -13.002 1.00 0.00 C ATOM 1137 C MET A 87 -2.550 -5.733 -13.908 1.00 0.00 C ATOM 1138 O MET A 87 -3.572 -6.220 -13.469 1.00 0.00 O ATOM 1139 CB MET A 87 -1.726 -4.249 -12.075 1.00 0.00 C ATOM 1140 CG MET A 87 -0.466 -3.759 -11.346 1.00 0.00 C ATOM 1141 SD MET A 87 -0.190 -4.370 -9.665 1.00 0.00 S ATOM 1142 CE MET A 87 1.541 -3.862 -9.513 1.00 0.00 C ATOM 0 H MET A 87 -0.097 -4.043 -14.008 1.00 0.00 H new ATOM 0 HA MET A 87 -1.122 -6.311 -12.412 1.00 0.00 H new ATOM 0 HB2 MET A 87 -2.161 -3.436 -12.657 1.00 0.00 H new ATOM 0 HB3 MET A 87 -2.479 -4.561 -11.351 1.00 0.00 H new ATOM 0 HG2 MET A 87 0.400 -4.030 -11.950 1.00 0.00 H new ATOM 0 HG3 MET A 87 -0.500 -2.670 -11.308 1.00 0.00 H new ATOM 0 HE1 MET A 87 1.919 -4.147 -8.531 1.00 0.00 H new ATOM 0 HE2 MET A 87 2.133 -4.352 -10.286 1.00 0.00 H new ATOM 0 HE3 MET A 87 1.614 -2.781 -9.630 1.00 0.00 H new ATOM 1152 N GLY A 88 -2.374 -5.432 -15.165 1.00 0.00 N ATOM 1153 CA GLY A 88 -3.454 -5.677 -16.165 1.00 0.00 C ATOM 1154 C GLY A 88 -4.185 -7.011 -15.920 1.00 0.00 C ATOM 1155 O GLY A 88 -5.395 -7.042 -15.803 1.00 0.00 O ATOM 0 H GLY A 88 -1.521 -5.023 -15.546 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -4.173 -4.859 -16.128 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -3.025 -5.679 -17.167 1.00 0.00 H new ATOM 1159 N PRO A 89 -3.427 -8.094 -15.864 1.00 0.00 N ATOM 1160 CA PRO A 89 -4.000 -9.424 -15.639 1.00 0.00 C ATOM 1161 C PRO A 89 -4.854 -9.492 -14.367 1.00 0.00 C ATOM 1162 O PRO A 89 -5.222 -10.562 -13.925 1.00 0.00 O ATOM 1163 CB PRO A 89 -2.781 -10.362 -15.512 1.00 0.00 C ATOM 1164 CG PRO A 89 -1.512 -9.523 -15.856 1.00 0.00 C ATOM 1165 CD PRO A 89 -1.964 -8.061 -16.026 1.00 0.00 C ATOM 0 HA PRO A 89 -4.670 -9.698 -16.454 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -2.712 -10.767 -14.503 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -2.876 -11.210 -16.190 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -0.769 -9.606 -15.063 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -1.045 -9.890 -16.770 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.499 -7.415 -15.282 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -1.684 -7.672 -17.005 1.00 0.00 H new ATOM 1173 N LYS A 90 -5.154 -8.353 -13.804 1.00 0.00 N ATOM 1174 CA LYS A 90 -5.981 -8.346 -12.571 1.00 0.00 C ATOM 1175 C LYS A 90 -5.301 -9.117 -11.446 1.00 0.00 C ATOM 1176 O LYS A 90 -5.743 -9.079 -10.315 1.00 0.00 O ATOM 1177 CB LYS A 90 -7.321 -9.028 -12.890 1.00 0.00 C ATOM 1178 CG LYS A 90 -8.403 -8.485 -11.957 1.00 0.00 C ATOM 1179 CD LYS A 90 -9.773 -8.940 -12.465 1.00 0.00 C ATOM 1180 CE LYS A 90 -10.708 -9.157 -11.272 1.00 0.00 C ATOM 1181 NZ LYS A 90 -10.931 -7.878 -10.541 1.00 0.00 N ATOM 0 H LYS A 90 -4.864 -7.436 -14.143 1.00 0.00 H new ATOM 0 HA LYS A 90 -6.123 -7.315 -12.247 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.596 -8.845 -13.929 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -7.230 -10.107 -12.769 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -8.240 -8.845 -10.941 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -8.357 -7.397 -11.921 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -10.191 -8.192 -13.138 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.674 -9.863 -13.037 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -11.662 -9.555 -11.618 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -10.279 -9.898 -10.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -11.394 -8.075 -9.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -10.017 -7.411 -10.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -11.538 -7.254 -11.110 1.00 0.00 H new ATOM 1195 N LEU A 91 -4.232 -9.795 -11.777 1.00 0.00 N ATOM 1196 CA LEU A 91 -3.507 -10.576 -10.740 1.00 0.00 C ATOM 1197 C LEU A 91 -4.485 -11.295 -9.819 1.00 0.00 C ATOM 1198 O LEU A 91 -4.292 -11.404 -8.624 1.00 0.00 O ATOM 1199 CB LEU A 91 -2.656 -9.607 -9.899 1.00 0.00 C ATOM 1200 CG LEU A 91 -2.357 -8.344 -10.715 1.00 0.00 C ATOM 1201 CD1 LEU A 91 -1.516 -7.387 -9.867 1.00 0.00 C ATOM 1202 CD2 LEU A 91 -1.579 -8.726 -11.982 1.00 0.00 C ATOM 0 H LEU A 91 -3.835 -9.839 -12.715 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.880 -11.319 -11.233 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.185 -9.344 -8.983 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.725 -10.089 -9.602 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.291 -7.859 -10.998 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.300 -6.486 -10.441 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.068 -7.119 -8.966 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.581 -7.873 -9.589 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.366 -7.828 -12.563 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.642 -9.208 -11.702 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.176 -9.413 -12.582 1.00 0.00 H new