USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=11 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 62 SER OG : rot 150:sc= -0.212 USER MOD Set 1.2: A 63 ASN : amide:sc= 0.948 K(o=0.74,f=-5.6!) USER MOD Single : A 12 THR OG1 : rot 11:sc= 0.561 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.241 X(o=-0.24,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -158:sc= -1.13 (180deg=-2.53!) USER MOD Single : A 29 TYR OH : rot 151:sc= -2.08 USER MOD Single : A 31 SER OG : rot 74:sc= 0.0833 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 15:sc= 0.00593 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -158:sc= -0.124 (180deg=-0.929) USER MOD Single : A 46 HIS : no HD1:sc= -5.3! C(o=-5.3!,f=-4.3!) USER MOD Single : A 51 SER OG : rot 2:sc= 0.639 USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N PRO A 9 -3.058 -0.851 -11.452 1.00 0.00 N ATOM 40 CA PRO A 9 -2.965 -2.039 -10.620 1.00 0.00 C ATOM 41 C PRO A 9 -2.881 -1.689 -9.128 1.00 0.00 C ATOM 42 O PRO A 9 -2.038 -0.883 -8.707 1.00 0.00 O ATOM 43 CB PRO A 9 -1.656 -2.704 -11.080 1.00 0.00 C ATOM 44 CG PRO A 9 -1.443 -2.192 -12.451 1.00 0.00 C ATOM 45 CD PRO A 9 -1.948 -0.790 -12.431 1.00 0.00 C ATOM 0 HA PRO A 9 -3.842 -2.678 -10.725 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.826 -2.441 -10.425 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.738 -3.791 -11.070 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -0.388 -2.226 -12.724 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.981 -2.793 -13.183 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -1.175 -0.087 -12.122 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.294 -0.471 -13.414 1.00 0.00 H new ATOM 53 N GLY A 10 -3.798 -2.255 -8.359 1.00 0.00 N ATOM 54 CA GLY A 10 -3.764 -2.137 -6.918 1.00 0.00 C ATOM 55 C GLY A 10 -2.794 -3.153 -6.354 1.00 0.00 C ATOM 56 O GLY A 10 -1.881 -3.540 -7.063 1.00 0.00 O ATOM 0 H GLY A 10 -4.579 -2.804 -8.717 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.461 -1.130 -6.631 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.760 -2.300 -6.505 1.00 0.00 H new ATOM 60 N ILE A 11 -3.004 -3.608 -5.091 1.00 0.00 N ATOM 61 CA ILE A 11 -2.096 -4.603 -4.431 1.00 0.00 C ATOM 62 C ILE A 11 -1.819 -5.768 -5.358 1.00 0.00 C ATOM 63 O ILE A 11 -2.666 -6.635 -5.544 1.00 0.00 O ATOM 64 CB ILE A 11 -2.665 -5.177 -3.094 1.00 0.00 C ATOM 65 CG1 ILE A 11 -3.073 -4.051 -2.155 1.00 0.00 C ATOM 66 CG2 ILE A 11 -1.626 -6.079 -2.415 1.00 0.00 C ATOM 67 CD1 ILE A 11 -3.677 -4.510 -0.836 1.00 0.00 C ATOM 0 H ILE A 11 -3.785 -3.309 -4.508 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.183 -4.053 -4.203 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.549 -5.771 -3.327 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.197 -3.437 -1.944 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.794 -3.413 -2.666 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.037 -6.471 -1.485 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.374 -6.907 -3.078 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.728 -5.501 -2.199 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.937 -3.640 -0.233 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.574 -5.097 -1.031 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.953 -5.122 -0.298 1.00 0.00 H new ATOM 79 N THR A 12 -0.652 -5.743 -5.958 1.00 0.00 N ATOM 80 CA THR A 12 -0.243 -6.742 -6.911 1.00 0.00 C ATOM 81 C THR A 12 0.413 -7.951 -6.183 1.00 0.00 C ATOM 82 O THR A 12 0.734 -8.971 -6.793 1.00 0.00 O ATOM 83 CB THR A 12 0.734 -6.078 -7.917 1.00 0.00 C ATOM 84 OG1 THR A 12 0.156 -4.836 -8.393 1.00 0.00 O ATOM 85 CG2 THR A 12 0.998 -6.963 -9.122 1.00 0.00 C ATOM 0 H THR A 12 0.047 -5.018 -5.794 1.00 0.00 H new ATOM 0 HA THR A 12 -1.106 -7.130 -7.452 1.00 0.00 H new ATOM 0 HB THR A 12 1.676 -5.908 -7.395 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.631 -4.614 -7.853 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.687 -6.459 -9.800 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.437 -7.905 -8.793 1.00 0.00 H new ATOM 0 HG23 THR A 12 0.060 -7.162 -9.640 1.00 0.00 H new ATOM 93 N PHE A 13 0.579 -7.808 -4.855 1.00 0.00 N ATOM 94 CA PHE A 13 1.177 -8.847 -3.977 1.00 0.00 C ATOM 95 C PHE A 13 2.635 -9.141 -4.360 1.00 0.00 C ATOM 96 O PHE A 13 3.177 -10.184 -4.021 1.00 0.00 O ATOM 97 CB PHE A 13 0.339 -10.151 -3.981 1.00 0.00 C ATOM 98 CG PHE A 13 -1.076 -10.001 -3.479 1.00 0.00 C ATOM 99 CD1 PHE A 13 -1.361 -10.122 -2.130 1.00 0.00 C ATOM 100 CD2 PHE A 13 -2.118 -9.744 -4.359 1.00 0.00 C ATOM 101 CE1 PHE A 13 -2.658 -9.989 -1.667 1.00 0.00 C ATOM 102 CE2 PHE A 13 -3.413 -9.611 -3.901 1.00 0.00 C ATOM 103 CZ PHE A 13 -3.684 -9.732 -2.553 1.00 0.00 C ATOM 0 H PHE A 13 0.302 -6.965 -4.352 1.00 0.00 H new ATOM 0 HA PHE A 13 1.170 -8.446 -2.963 1.00 0.00 H new ATOM 0 HB2 PHE A 13 0.308 -10.542 -4.998 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.849 -10.895 -3.369 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -0.562 -10.322 -1.431 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.913 -9.647 -5.415 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.867 -10.086 -0.612 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.214 -9.412 -4.597 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.697 -9.626 -2.193 1.00 0.00 H new ATOM 113 N GLU A 14 3.264 -8.192 -5.019 1.00 0.00 N ATOM 114 CA GLU A 14 4.639 -8.316 -5.456 1.00 0.00 C ATOM 115 C GLU A 14 5.442 -7.154 -4.887 1.00 0.00 C ATOM 116 O GLU A 14 4.999 -5.998 -4.951 1.00 0.00 O ATOM 117 CB GLU A 14 4.712 -8.256 -6.988 1.00 0.00 C ATOM 118 CG GLU A 14 3.991 -9.369 -7.731 1.00 0.00 C ATOM 119 CD GLU A 14 4.670 -10.704 -7.591 1.00 0.00 C ATOM 120 OE1 GLU A 14 5.678 -10.928 -8.276 1.00 0.00 O ATOM 121 OE2 GLU A 14 4.203 -11.562 -6.814 1.00 0.00 O ATOM 0 H GLU A 14 2.831 -7.303 -5.269 1.00 0.00 H new ATOM 0 HA GLU A 14 5.041 -9.268 -5.110 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.300 -7.301 -7.315 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.761 -8.269 -7.283 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.970 -9.446 -7.357 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.925 -9.110 -8.788 1.00 0.00 H new ATOM 128 N ILE A 15 6.588 -7.439 -4.329 1.00 0.00 N ATOM 129 CA ILE A 15 7.468 -6.403 -3.830 1.00 0.00 C ATOM 130 C ILE A 15 7.990 -5.587 -5.007 1.00 0.00 C ATOM 131 O ILE A 15 8.435 -6.148 -6.021 1.00 0.00 O ATOM 132 CB ILE A 15 8.641 -6.995 -3.007 1.00 0.00 C ATOM 133 CG1 ILE A 15 8.099 -7.668 -1.735 1.00 0.00 C ATOM 134 CG2 ILE A 15 9.670 -5.918 -2.661 1.00 0.00 C ATOM 135 CD1 ILE A 15 9.151 -8.357 -0.901 1.00 0.00 C ATOM 0 H ILE A 15 6.941 -8.388 -4.205 1.00 0.00 H new ATOM 0 HA ILE A 15 6.904 -5.757 -3.157 1.00 0.00 H new ATOM 0 HB ILE A 15 9.147 -7.747 -3.613 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.602 -6.915 -1.123 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.341 -8.398 -2.019 1.00 0.00 H new ATOM 0 HG21 ILE A 15 10.481 -6.362 -2.084 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.071 -5.489 -3.579 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.193 -5.134 -2.073 1.00 0.00 H new ATOM 0 HD11 ILE A 15 8.684 -8.805 -0.024 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.632 -9.135 -1.493 1.00 0.00 H new ATOM 0 HD13 ILE A 15 9.897 -7.629 -0.583 1.00 0.00 H new ATOM 147 N GLY A 16 7.880 -4.289 -4.900 1.00 0.00 N ATOM 148 CA GLY A 16 8.271 -3.404 -5.966 1.00 0.00 C ATOM 149 C GLY A 16 7.095 -3.074 -6.850 1.00 0.00 C ATOM 150 O GLY A 16 7.152 -2.158 -7.690 1.00 0.00 O ATOM 0 H GLY A 16 7.517 -3.816 -4.072 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.686 -2.487 -5.549 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.058 -3.869 -6.560 1.00 0.00 H new ATOM 154 N ALA A 17 6.013 -3.805 -6.670 1.00 0.00 N ATOM 155 CA ALA A 17 4.841 -3.576 -7.448 1.00 0.00 C ATOM 156 C ALA A 17 3.978 -2.545 -6.773 1.00 0.00 C ATOM 157 O ALA A 17 4.305 -2.061 -5.669 1.00 0.00 O ATOM 158 CB ALA A 17 4.077 -4.862 -7.686 1.00 0.00 C ATOM 0 H ALA A 17 5.934 -4.560 -5.988 1.00 0.00 H new ATOM 0 HA ALA A 17 5.140 -3.197 -8.426 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.189 -4.653 -8.282 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.713 -5.570 -8.218 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.779 -5.290 -6.729 1.00 0.00 H new ATOM 164 N ARG A 18 2.897 -2.219 -7.399 1.00 0.00 N ATOM 165 CA ARG A 18 2.044 -1.180 -6.929 1.00 0.00 C ATOM 166 C ARG A 18 0.932 -1.736 -6.074 1.00 0.00 C ATOM 167 O ARG A 18 0.659 -2.954 -6.081 1.00 0.00 O ATOM 168 CB ARG A 18 1.463 -0.417 -8.120 1.00 0.00 C ATOM 169 CG ARG A 18 2.530 0.084 -9.070 1.00 0.00 C ATOM 170 CD ARG A 18 1.954 0.795 -10.271 1.00 0.00 C ATOM 171 NE ARG A 18 3.015 1.149 -11.226 1.00 0.00 N ATOM 172 CZ ARG A 18 2.913 2.013 -12.234 1.00 0.00 C ATOM 173 NH1 ARG A 18 1.764 2.624 -12.477 1.00 0.00 N ATOM 174 NH2 ARG A 18 3.968 2.266 -12.987 1.00 0.00 N ATOM 0 H ARG A 18 2.579 -2.669 -8.257 1.00 0.00 H new ATOM 0 HA ARG A 18 2.632 -0.500 -6.313 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.776 -1.067 -8.662 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.881 0.429 -7.755 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.196 0.762 -8.537 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.135 -0.758 -9.407 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.218 0.156 -10.759 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.432 1.696 -9.950 1.00 0.00 H new ATOM 0 HE ARG A 18 3.917 0.688 -11.104 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.951 2.434 -11.891 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.691 3.285 -13.250 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.855 1.800 -12.795 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.896 2.927 -13.761 1.00 0.00 H new ATOM 188 N LEU A 19 0.382 -0.880 -5.266 1.00 0.00 N ATOM 189 CA LEU A 19 -0.828 -1.178 -4.510 1.00 0.00 C ATOM 190 C LEU A 19 -1.580 0.099 -4.269 1.00 0.00 C ATOM 191 O LEU A 19 -0.967 1.152 -4.196 1.00 0.00 O ATOM 192 CB LEU A 19 -0.525 -1.887 -3.172 1.00 0.00 C ATOM 193 CG LEU A 19 0.099 -1.087 -2.014 1.00 0.00 C ATOM 194 CD1 LEU A 19 0.428 -1.998 -0.886 1.00 0.00 C ATOM 195 CD2 LEU A 19 1.330 -0.370 -2.417 1.00 0.00 C ATOM 0 H LEU A 19 0.752 0.056 -5.102 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.435 -1.867 -5.097 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.461 -2.312 -2.808 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.141 -2.722 -3.388 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.641 -0.346 -1.710 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.869 -1.424 -0.071 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.481 -2.486 -0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.138 -2.753 -1.223 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.728 0.178 -1.563 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.072 -1.088 -2.766 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.097 0.330 -3.220 1.00 0.00 H new ATOM 207 N GLU A 20 -2.877 0.050 -4.135 1.00 0.00 N ATOM 208 CA GLU A 20 -3.574 1.287 -3.924 1.00 0.00 C ATOM 209 C GLU A 20 -3.687 1.555 -2.478 1.00 0.00 C ATOM 210 O GLU A 20 -4.256 0.778 -1.744 1.00 0.00 O ATOM 211 CB GLU A 20 -4.927 1.336 -4.604 1.00 0.00 C ATOM 212 CG GLU A 20 -4.828 1.388 -6.104 1.00 0.00 C ATOM 213 CD GLU A 20 -6.166 1.454 -6.753 1.00 0.00 C ATOM 214 OE1 GLU A 20 -6.858 0.440 -6.798 1.00 0.00 O ATOM 215 OE2 GLU A 20 -6.565 2.526 -7.245 1.00 0.00 O ATOM 0 H GLU A 20 -3.451 -0.792 -4.166 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.985 2.075 -4.392 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.506 0.459 -4.314 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.474 2.210 -4.251 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.240 2.258 -6.398 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.295 0.507 -6.462 1.00 0.00 H new ATOM 222 N ALA A 21 -3.096 2.604 -2.065 1.00 0.00 N ATOM 223 CA ALA A 21 -3.147 2.987 -0.707 1.00 0.00 C ATOM 224 C ALA A 21 -3.923 4.260 -0.606 1.00 0.00 C ATOM 225 O ALA A 21 -4.070 4.952 -1.586 1.00 0.00 O ATOM 226 CB ALA A 21 -1.749 3.170 -0.173 1.00 0.00 C ATOM 0 H ALA A 21 -2.557 3.230 -2.663 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.636 2.215 -0.113 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.796 3.465 0.875 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.200 2.233 -0.262 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.239 3.945 -0.746 1.00 0.00 H new ATOM 232 N LEU A 22 -4.432 4.534 0.541 1.00 0.00 N ATOM 233 CA LEU A 22 -5.139 5.754 0.816 1.00 0.00 C ATOM 234 C LEU A 22 -4.258 6.517 1.695 1.00 0.00 C ATOM 235 O LEU A 22 -3.757 5.998 2.677 1.00 0.00 O ATOM 236 CB LEU A 22 -6.508 5.440 1.488 1.00 0.00 C ATOM 237 CG LEU A 22 -7.504 6.589 1.803 1.00 0.00 C ATOM 238 CD1 LEU A 22 -7.079 7.437 2.976 1.00 0.00 C ATOM 239 CD2 LEU A 22 -7.725 7.456 0.600 1.00 0.00 C ATOM 0 H LEU A 22 -4.372 3.906 1.342 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.371 6.320 -0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.028 4.728 0.846 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.298 4.928 2.427 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.441 6.105 2.078 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.817 8.221 3.144 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.003 6.814 3.867 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.110 7.889 2.766 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.427 8.252 0.849 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.777 7.893 0.287 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.133 6.854 -0.212 1.00 0.00 H new ATOM 251 N ASP A 23 -3.969 7.676 1.317 1.00 0.00 N ATOM 252 CA ASP A 23 -3.190 8.498 2.162 1.00 0.00 C ATOM 253 C ASP A 23 -4.016 9.647 2.579 1.00 0.00 C ATOM 254 O ASP A 23 -5.101 9.862 1.980 1.00 0.00 O ATOM 255 CB ASP A 23 -1.968 9.010 1.468 1.00 0.00 C ATOM 256 CG ASP A 23 -2.238 10.217 0.617 1.00 0.00 C ATOM 257 OD1 ASP A 23 -2.922 10.110 -0.411 1.00 0.00 O ATOM 258 OD2 ASP A 23 -1.782 11.299 0.994 1.00 0.00 O ATOM 0 H ASP A 23 -4.251 8.095 0.431 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.867 7.906 3.018 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -1.212 9.259 2.212 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.553 8.218 0.844 1.00 0.00 H new ATOM 263 N TYR A 24 -3.444 10.413 3.539 1.00 0.00 N ATOM 264 CA TYR A 24 -3.972 11.626 4.186 1.00 0.00 C ATOM 265 C TYR A 24 -4.562 12.639 3.201 1.00 0.00 C ATOM 266 O TYR A 24 -5.461 13.403 3.549 1.00 0.00 O ATOM 267 CB TYR A 24 -2.828 12.276 5.006 1.00 0.00 C ATOM 268 CG TYR A 24 -3.127 13.664 5.540 1.00 0.00 C ATOM 269 CD1 TYR A 24 -3.867 13.845 6.694 1.00 0.00 C ATOM 270 CD2 TYR A 24 -2.684 14.795 4.860 1.00 0.00 C ATOM 271 CE1 TYR A 24 -4.155 15.110 7.157 1.00 0.00 C ATOM 272 CE2 TYR A 24 -2.974 16.058 5.314 1.00 0.00 C ATOM 273 CZ TYR A 24 -3.710 16.211 6.463 1.00 0.00 C ATOM 274 OH TYR A 24 -4.013 17.482 6.919 1.00 0.00 O ATOM 0 H TYR A 24 -2.524 10.173 3.908 1.00 0.00 H new ATOM 0 HA TYR A 24 -4.799 11.327 4.830 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -2.589 11.624 5.846 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -1.938 12.329 4.380 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.224 12.984 7.239 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.101 14.677 3.958 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -4.729 15.237 8.063 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -2.626 16.924 4.771 1.00 0.00 H new ATOM 0 HH TYR A 24 -3.623 18.148 6.315 1.00 0.00 H new ATOM 284 N LEU A 25 -4.065 12.653 1.998 1.00 0.00 N ATOM 285 CA LEU A 25 -4.580 13.534 0.961 1.00 0.00 C ATOM 286 C LEU A 25 -5.897 12.989 0.389 1.00 0.00 C ATOM 287 O LEU A 25 -6.523 13.601 -0.502 1.00 0.00 O ATOM 288 CB LEU A 25 -3.501 13.750 -0.132 1.00 0.00 C ATOM 289 CG LEU A 25 -2.341 14.740 0.190 1.00 0.00 C ATOM 290 CD1 LEU A 25 -2.883 16.097 0.560 1.00 0.00 C ATOM 291 CD2 LEU A 25 -1.413 14.236 1.293 1.00 0.00 C ATOM 0 H LEU A 25 -3.292 12.059 1.697 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.808 14.508 1.393 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.061 12.781 -0.367 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.002 14.100 -1.035 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.747 14.818 -0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.056 16.771 0.781 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.464 16.496 -0.271 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.522 16.007 1.439 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.627 14.970 1.470 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.984 14.087 2.209 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.965 13.291 0.988 1.00 0.00 H new ATOM 303 N GLN A 26 -6.282 11.830 0.909 1.00 0.00 N ATOM 304 CA GLN A 26 -7.463 11.107 0.591 1.00 0.00 C ATOM 305 C GLN A 26 -7.372 10.595 -0.736 1.00 0.00 C ATOM 306 O GLN A 26 -8.295 10.685 -1.556 1.00 0.00 O ATOM 307 CB GLN A 26 -8.771 11.795 0.904 1.00 0.00 C ATOM 308 CG GLN A 26 -9.278 11.487 2.297 1.00 0.00 C ATOM 309 CD GLN A 26 -8.381 11.958 3.408 1.00 0.00 C ATOM 310 OE1 GLN A 26 -8.512 13.076 3.884 1.00 0.00 O ATOM 311 NE2 GLN A 26 -7.487 11.112 3.846 1.00 0.00 N ATOM 0 H GLN A 26 -5.721 11.353 1.615 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.504 10.267 1.285 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.644 12.872 0.799 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.521 11.490 0.174 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.260 11.944 2.422 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.414 10.410 2.390 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.409 10.188 3.422 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -6.867 11.376 4.612 1.00 0.00 H new ATOM 320 N LYS A 27 -6.248 10.021 -0.975 1.00 0.00 N ATOM 321 CA LYS A 27 -6.031 9.495 -2.277 1.00 0.00 C ATOM 322 C LYS A 27 -5.850 8.042 -2.219 1.00 0.00 C ATOM 323 O LYS A 27 -5.009 7.570 -1.473 1.00 0.00 O ATOM 324 CB LYS A 27 -4.830 10.114 -2.986 1.00 0.00 C ATOM 325 CG LYS A 27 -4.877 11.623 -3.122 1.00 0.00 C ATOM 326 CD LYS A 27 -3.710 12.219 -3.922 1.00 0.00 C ATOM 327 CE LYS A 27 -3.821 12.036 -5.446 1.00 0.00 C ATOM 328 NZ LYS A 27 -3.674 10.643 -5.922 1.00 0.00 N ATOM 0 H LYS A 27 -5.484 9.904 -0.310 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.921 9.748 -2.854 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.925 9.841 -2.443 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.749 9.676 -3.981 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.814 11.904 -3.603 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.884 12.066 -2.126 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.641 13.284 -3.701 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.781 11.762 -3.581 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.789 12.415 -5.772 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.060 12.650 -5.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.392 10.646 -6.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.947 10.159 -5.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.581 10.144 -5.820 1.00 0.00 H new ATOM 342 N TRP A 28 -6.682 7.329 -2.954 1.00 0.00 N ATOM 343 CA TRP A 28 -6.480 5.931 -3.174 1.00 0.00 C ATOM 344 C TRP A 28 -5.603 5.860 -4.377 1.00 0.00 C ATOM 345 O TRP A 28 -6.067 5.909 -5.528 1.00 0.00 O ATOM 346 CB TRP A 28 -7.784 5.171 -3.409 1.00 0.00 C ATOM 347 CG TRP A 28 -8.664 5.078 -2.208 1.00 0.00 C ATOM 348 CD1 TRP A 28 -9.706 5.885 -1.894 1.00 0.00 C ATOM 349 CD2 TRP A 28 -8.564 4.112 -1.156 1.00 0.00 C ATOM 350 NE1 TRP A 28 -10.286 5.461 -0.711 1.00 0.00 N ATOM 351 CE2 TRP A 28 -9.590 4.371 -0.238 1.00 0.00 C ATOM 352 CE3 TRP A 28 -7.701 3.056 -0.917 1.00 0.00 C ATOM 353 CZ2 TRP A 28 -9.775 3.588 0.920 1.00 0.00 C ATOM 354 CZ3 TRP A 28 -7.870 2.291 0.212 1.00 0.00 C ATOM 355 CH2 TRP A 28 -8.893 2.545 1.122 1.00 0.00 C ATOM 0 H TRP A 28 -7.511 7.712 -3.409 1.00 0.00 H new ATOM 0 HA TRP A 28 -6.038 5.460 -2.296 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -8.336 5.659 -4.213 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -7.547 4.163 -3.751 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -10.035 6.732 -2.479 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -11.097 5.887 -0.262 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -6.903 2.836 -1.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -10.572 3.795 1.619 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -7.192 1.471 0.398 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -8.998 1.919 1.996 1.00 0.00 H new ATOM 366 N TYR A 29 -4.357 5.867 -4.127 1.00 0.00 N ATOM 367 CA TYR A 29 -3.385 6.011 -5.141 1.00 0.00 C ATOM 368 C TYR A 29 -2.394 4.856 -5.142 1.00 0.00 C ATOM 369 O TYR A 29 -2.054 4.304 -4.081 1.00 0.00 O ATOM 370 CB TYR A 29 -2.701 7.402 -5.018 1.00 0.00 C ATOM 371 CG TYR A 29 -1.928 7.716 -3.718 1.00 0.00 C ATOM 372 CD1 TYR A 29 -1.997 6.910 -2.583 1.00 0.00 C ATOM 373 CD2 TYR A 29 -1.094 8.812 -3.669 1.00 0.00 C ATOM 374 CE1 TYR A 29 -1.270 7.188 -1.455 1.00 0.00 C ATOM 375 CE2 TYR A 29 -0.348 9.090 -2.569 1.00 0.00 C ATOM 376 CZ TYR A 29 -0.431 8.291 -1.466 1.00 0.00 C ATOM 377 OH TYR A 29 0.355 8.578 -0.380 1.00 0.00 O ATOM 0 H TYR A 29 -3.969 5.771 -3.189 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.876 5.970 -6.113 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -2.008 7.509 -5.853 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.470 8.165 -5.142 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -2.641 6.043 -2.593 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -1.032 9.466 -4.526 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.349 6.562 -0.578 1.00 0.00 H new ATOM 0 HE2 TYR A 29 0.312 9.945 -2.567 1.00 0.00 H new ATOM 0 HH TYR A 29 1.167 9.040 -0.677 1.00 0.00 H new ATOM 387 N PRO A 30 -1.946 4.441 -6.326 1.00 0.00 N ATOM 388 CA PRO A 30 -1.007 3.349 -6.466 1.00 0.00 C ATOM 389 C PRO A 30 0.367 3.699 -5.911 1.00 0.00 C ATOM 390 O PRO A 30 1.142 4.464 -6.495 1.00 0.00 O ATOM 391 CB PRO A 30 -0.958 3.077 -7.974 1.00 0.00 C ATOM 392 CG PRO A 30 -2.124 3.816 -8.528 1.00 0.00 C ATOM 393 CD PRO A 30 -2.322 4.988 -7.630 1.00 0.00 C ATOM 0 HA PRO A 30 -1.317 2.472 -5.898 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.023 3.428 -8.410 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.028 2.010 -8.187 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -1.934 4.136 -9.553 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.013 3.185 -8.550 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.693 5.831 -7.915 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.353 5.341 -7.642 1.00 0.00 H new ATOM 401 N SER A 31 0.613 3.181 -4.772 1.00 0.00 N ATOM 402 CA SER A 31 1.831 3.327 -4.067 1.00 0.00 C ATOM 403 C SER A 31 2.639 2.054 -4.302 1.00 0.00 C ATOM 404 O SER A 31 2.288 1.278 -5.192 1.00 0.00 O ATOM 405 CB SER A 31 1.478 3.525 -2.609 1.00 0.00 C ATOM 406 OG SER A 31 0.671 4.690 -2.463 1.00 0.00 O ATOM 0 H SER A 31 -0.069 2.609 -4.274 1.00 0.00 H new ATOM 0 HA SER A 31 2.427 4.178 -4.396 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.945 2.652 -2.232 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.387 3.624 -2.015 1.00 0.00 H new ATOM 0 HG SER A 31 -0.232 4.506 -2.797 1.00 0.00 H new ATOM 412 N ARG A 32 3.685 1.801 -3.549 1.00 0.00 N ATOM 413 CA ARG A 32 4.471 0.593 -3.814 1.00 0.00 C ATOM 414 C ARG A 32 4.577 -0.304 -2.593 1.00 0.00 C ATOM 415 O ARG A 32 4.519 0.173 -1.458 1.00 0.00 O ATOM 416 CB ARG A 32 5.868 0.954 -4.241 1.00 0.00 C ATOM 417 CG ARG A 32 5.963 1.803 -5.463 1.00 0.00 C ATOM 418 CD ARG A 32 5.411 1.074 -6.664 1.00 0.00 C ATOM 419 NE ARG A 32 5.405 1.909 -7.852 1.00 0.00 N ATOM 420 CZ ARG A 32 5.929 1.550 -9.028 1.00 0.00 C ATOM 421 NH1 ARG A 32 6.604 0.406 -9.139 1.00 0.00 N ATOM 422 NH2 ARG A 32 5.793 2.339 -10.079 1.00 0.00 N ATOM 0 H ARG A 32 4.011 2.381 -2.776 1.00 0.00 H new ATOM 0 HA ARG A 32 3.949 0.057 -4.607 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.358 1.475 -3.418 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.426 0.034 -4.414 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.413 2.731 -5.310 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.003 2.075 -5.643 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.007 0.181 -6.852 1.00 0.00 H new ATOM 0 HD3 ARG A 32 4.396 0.740 -6.450 1.00 0.00 H new ATOM 0 HE ARG A 32 4.972 2.830 -7.785 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.722 -0.198 -8.325 1.00 0.00 H new ATOM 0 HH12 ARG A 32 7.003 0.134 -10.038 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.288 3.221 -9.993 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.193 2.066 -10.977 1.00 0.00 H new ATOM 436 N ILE A 33 4.753 -1.583 -2.834 1.00 0.00 N ATOM 437 CA ILE A 33 4.911 -2.569 -1.776 1.00 0.00 C ATOM 438 C ILE A 33 6.413 -2.832 -1.594 1.00 0.00 C ATOM 439 O ILE A 33 7.062 -3.277 -2.524 1.00 0.00 O ATOM 440 CB ILE A 33 4.254 -3.915 -2.169 1.00 0.00 C ATOM 441 CG1 ILE A 33 2.864 -3.693 -2.783 1.00 0.00 C ATOM 442 CG2 ILE A 33 4.136 -4.779 -0.930 1.00 0.00 C ATOM 443 CD1 ILE A 33 2.182 -4.958 -3.271 1.00 0.00 C ATOM 0 H ILE A 33 4.792 -1.977 -3.774 1.00 0.00 H new ATOM 0 HA ILE A 33 4.443 -2.187 -0.869 1.00 0.00 H new ATOM 0 HB ILE A 33 4.876 -4.408 -2.916 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.225 -3.214 -2.041 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.957 -3.000 -3.619 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.674 -5.731 -1.193 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.128 -4.959 -0.516 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.520 -4.270 -0.189 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.207 -4.708 -3.689 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.796 -5.429 -4.039 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.053 -5.647 -2.436 1.00 0.00 H new ATOM 455 N GLU A 34 6.956 -2.550 -0.425 1.00 0.00 N ATOM 456 CA GLU A 34 8.395 -2.723 -0.198 1.00 0.00 C ATOM 457 C GLU A 34 8.720 -4.069 0.468 1.00 0.00 C ATOM 458 O GLU A 34 9.812 -4.616 0.303 1.00 0.00 O ATOM 459 CB GLU A 34 8.949 -1.561 0.639 1.00 0.00 C ATOM 460 CG GLU A 34 10.462 -1.534 0.777 1.00 0.00 C ATOM 461 CD GLU A 34 11.148 -1.233 -0.533 1.00 0.00 C ATOM 462 OE1 GLU A 34 11.362 -2.141 -1.348 1.00 0.00 O ATOM 463 OE2 GLU A 34 11.474 -0.068 -0.786 1.00 0.00 O ATOM 0 H GLU A 34 6.436 -2.203 0.381 1.00 0.00 H new ATOM 0 HA GLU A 34 8.879 -2.721 -1.174 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.623 -0.622 0.191 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.509 -1.608 1.635 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.745 -0.783 1.514 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.808 -2.496 1.154 1.00 0.00 H new ATOM 470 N LYS A 35 7.775 -4.603 1.191 1.00 0.00 N ATOM 471 CA LYS A 35 7.968 -5.837 1.924 1.00 0.00 C ATOM 472 C LYS A 35 6.580 -6.383 2.177 1.00 0.00 C ATOM 473 O LYS A 35 5.633 -5.594 2.220 1.00 0.00 O ATOM 474 CB LYS A 35 8.670 -5.508 3.256 1.00 0.00 C ATOM 475 CG LYS A 35 9.281 -6.688 3.993 1.00 0.00 C ATOM 476 CD LYS A 35 10.438 -7.271 3.215 1.00 0.00 C ATOM 477 CE LYS A 35 11.142 -8.358 3.998 1.00 0.00 C ATOM 478 NZ LYS A 35 12.273 -8.920 3.234 1.00 0.00 N ATOM 0 H LYS A 35 6.844 -4.198 1.293 1.00 0.00 H new ATOM 0 HA LYS A 35 8.579 -6.561 1.385 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.457 -4.780 3.059 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.948 -5.027 3.916 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.624 -6.369 4.977 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.522 -7.454 4.153 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.075 -7.678 2.271 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.147 -6.481 2.969 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.504 -7.953 4.943 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.435 -9.151 4.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.736 -9.663 3.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.922 -9.327 2.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.958 -8.167 3.024 1.00 0.00 H new ATOM 492 N ILE A 36 6.415 -7.684 2.303 1.00 0.00 N ATOM 493 CA ILE A 36 5.073 -8.236 2.493 1.00 0.00 C ATOM 494 C ILE A 36 5.098 -9.312 3.568 1.00 0.00 C ATOM 495 O ILE A 36 6.094 -10.035 3.712 1.00 0.00 O ATOM 496 CB ILE A 36 4.504 -8.885 1.186 1.00 0.00 C ATOM 497 CG1 ILE A 36 4.748 -7.988 -0.026 1.00 0.00 C ATOM 498 CG2 ILE A 36 3.002 -9.129 1.337 1.00 0.00 C ATOM 499 CD1 ILE A 36 4.264 -8.559 -1.334 1.00 0.00 C ATOM 0 H ILE A 36 7.168 -8.371 2.279 1.00 0.00 H new ATOM 0 HA ILE A 36 4.434 -7.402 2.782 1.00 0.00 H new ATOM 0 HB ILE A 36 5.020 -9.832 1.029 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.256 -7.030 0.142 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.817 -7.788 -0.105 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.613 -9.580 0.424 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.825 -9.800 2.178 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.496 -8.181 1.517 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.478 -7.856 -2.139 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.774 -9.502 -1.530 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.189 -8.732 -1.280 1.00 0.00 H new ATOM 511 N ASP A 37 4.038 -9.409 4.326 1.00 0.00 N ATOM 512 CA ASP A 37 3.888 -10.464 5.304 1.00 0.00 C ATOM 513 C ASP A 37 2.446 -10.890 5.275 1.00 0.00 C ATOM 514 O ASP A 37 1.605 -10.198 5.784 1.00 0.00 O ATOM 515 CB ASP A 37 4.247 -9.990 6.718 1.00 0.00 C ATOM 516 CG ASP A 37 4.359 -11.150 7.683 1.00 0.00 C ATOM 517 OD1 ASP A 37 3.326 -11.667 8.146 1.00 0.00 O ATOM 518 OD2 ASP A 37 5.503 -11.573 7.991 1.00 0.00 O ATOM 0 H ASP A 37 3.252 -8.761 4.286 1.00 0.00 H new ATOM 0 HA ASP A 37 4.563 -11.284 5.058 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.191 -9.446 6.691 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.488 -9.293 7.073 1.00 0.00 H new ATOM 523 N TYR A 38 2.161 -12.013 4.671 1.00 0.00 N ATOM 524 CA TYR A 38 0.794 -12.454 4.469 1.00 0.00 C ATOM 525 C TYR A 38 0.307 -13.195 5.703 1.00 0.00 C ATOM 526 O TYR A 38 -0.893 -13.382 5.892 1.00 0.00 O ATOM 527 CB TYR A 38 0.666 -13.402 3.269 1.00 0.00 C ATOM 528 CG TYR A 38 1.385 -13.007 1.994 1.00 0.00 C ATOM 529 CD1 TYR A 38 0.759 -12.251 1.016 1.00 0.00 C ATOM 530 CD2 TYR A 38 2.677 -13.442 1.752 1.00 0.00 C ATOM 531 CE1 TYR A 38 1.408 -11.932 -0.161 1.00 0.00 C ATOM 532 CE2 TYR A 38 3.327 -13.138 0.584 1.00 0.00 C ATOM 533 CZ TYR A 38 2.693 -12.385 -0.368 1.00 0.00 C ATOM 534 OH TYR A 38 3.345 -12.093 -1.536 1.00 0.00 O ATOM 0 H TYR A 38 2.865 -12.652 4.303 1.00 0.00 H new ATOM 0 HA TYR A 38 0.195 -11.563 4.281 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.032 -14.383 3.573 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.393 -13.514 3.039 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.252 -11.906 1.176 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.184 -14.034 2.500 1.00 0.00 H new ATOM 0 HE1 TYR A 38 0.913 -11.333 -0.912 1.00 0.00 H new ATOM 0 HE2 TYR A 38 4.334 -13.491 0.415 1.00 0.00 H new ATOM 0 HH TYR A 38 2.873 -11.372 -2.002 1.00 0.00 H new ATOM 544 N GLU A 39 1.253 -13.611 6.532 1.00 0.00 N ATOM 545 CA GLU A 39 0.949 -14.351 7.740 1.00 0.00 C ATOM 546 C GLU A 39 0.239 -13.452 8.736 1.00 0.00 C ATOM 547 O GLU A 39 -0.806 -13.820 9.292 1.00 0.00 O ATOM 548 CB GLU A 39 2.211 -14.962 8.339 1.00 0.00 C ATOM 549 CG GLU A 39 2.918 -15.918 7.397 1.00 0.00 C ATOM 550 CD GLU A 39 4.101 -16.594 8.028 1.00 0.00 C ATOM 551 OE1 GLU A 39 3.919 -17.626 8.698 1.00 0.00 O ATOM 552 OE2 GLU A 39 5.247 -16.111 7.857 1.00 0.00 O ATOM 0 H GLU A 39 2.248 -13.444 6.384 1.00 0.00 H new ATOM 0 HA GLU A 39 0.281 -15.174 7.488 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.897 -14.162 8.617 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.951 -15.491 9.256 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.211 -16.676 7.059 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.247 -15.372 6.513 1.00 0.00 H new ATOM 559 N GLU A 40 0.798 -12.273 8.959 1.00 0.00 N ATOM 560 CA GLU A 40 0.125 -11.261 9.757 1.00 0.00 C ATOM 561 C GLU A 40 -0.922 -10.655 8.839 1.00 0.00 C ATOM 562 O GLU A 40 -2.043 -10.303 9.242 1.00 0.00 O ATOM 563 CB GLU A 40 1.111 -10.156 10.176 1.00 0.00 C ATOM 564 CG GLU A 40 0.545 -9.124 11.146 1.00 0.00 C ATOM 565 CD GLU A 40 0.306 -9.652 12.534 1.00 0.00 C ATOM 566 OE1 GLU A 40 -0.773 -10.206 12.799 1.00 0.00 O ATOM 567 OE2 GLU A 40 1.195 -9.494 13.392 1.00 0.00 O ATOM 0 H GLU A 40 1.711 -11.994 8.601 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.301 -11.694 10.662 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.984 -10.622 10.633 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.458 -9.640 9.281 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.232 -8.280 11.203 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.395 -8.743 10.747 1.00 0.00 H new ATOM 574 N GLY A 41 -0.527 -10.567 7.588 1.00 0.00 N ATOM 575 CA GLY A 41 -1.347 -10.050 6.553 1.00 0.00 C ATOM 576 C GLY A 41 -1.230 -8.565 6.458 1.00 0.00 C ATOM 577 O GLY A 41 -2.214 -7.832 6.586 1.00 0.00 O ATOM 0 H GLY A 41 0.396 -10.864 7.271 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.063 -10.501 5.602 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.386 -10.324 6.738 1.00 0.00 H new ATOM 581 N LYS A 42 -0.019 -8.129 6.245 1.00 0.00 N ATOM 582 CA LYS A 42 0.321 -6.743 6.133 1.00 0.00 C ATOM 583 C LYS A 42 1.230 -6.597 4.950 1.00 0.00 C ATOM 584 O LYS A 42 1.748 -7.597 4.414 1.00 0.00 O ATOM 585 CB LYS A 42 1.160 -6.277 7.323 1.00 0.00 C ATOM 586 CG LYS A 42 0.700 -6.708 8.680 1.00 0.00 C ATOM 587 CD LYS A 42 1.532 -6.044 9.764 1.00 0.00 C ATOM 588 CE LYS A 42 3.009 -6.409 9.658 1.00 0.00 C ATOM 589 NZ LYS A 42 3.816 -5.760 10.711 1.00 0.00 N ATOM 0 H LYS A 42 0.782 -8.752 6.142 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.605 -6.172 6.065 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.180 -6.634 7.180 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.198 -5.188 7.307 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.351 -6.451 8.812 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.776 -7.792 8.768 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.421 -4.962 9.694 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.155 -6.341 10.743 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.121 -7.491 9.730 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.386 -6.114 8.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.813 -6.034 10.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.730 -4.727 10.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.474 -6.061 11.646 1.00 0.00 H new ATOM 603 N MET A 43 1.468 -5.400 4.568 1.00 0.00 N ATOM 604 CA MET A 43 2.444 -5.123 3.578 1.00 0.00 C ATOM 605 C MET A 43 3.091 -3.815 3.934 1.00 0.00 C ATOM 606 O MET A 43 2.504 -2.994 4.673 1.00 0.00 O ATOM 607 CB MET A 43 1.849 -5.042 2.161 1.00 0.00 C ATOM 608 CG MET A 43 1.133 -3.731 1.828 1.00 0.00 C ATOM 609 SD MET A 43 -0.343 -3.405 2.800 1.00 0.00 S ATOM 610 CE MET A 43 -1.369 -4.767 2.302 1.00 0.00 C ATOM 0 H MET A 43 0.990 -4.577 4.934 1.00 0.00 H new ATOM 0 HA MET A 43 3.166 -5.939 3.562 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.651 -5.193 1.438 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.145 -5.864 2.032 1.00 0.00 H new ATOM 0 HG2 MET A 43 1.832 -2.907 1.969 1.00 0.00 H new ATOM 0 HG3 MET A 43 0.860 -3.741 0.773 1.00 0.00 H new ATOM 0 HE1 MET A 43 -2.415 -4.521 2.486 1.00 0.00 H new ATOM 0 HE2 MET A 43 -1.224 -4.962 1.239 1.00 0.00 H new ATOM 0 HE3 MET A 43 -1.099 -5.654 2.874 1.00 0.00 H new ATOM 620 N LEU A 44 4.286 -3.634 3.478 1.00 0.00 N ATOM 621 CA LEU A 44 4.946 -2.400 3.652 1.00 0.00 C ATOM 622 C LEU A 44 4.619 -1.531 2.477 1.00 0.00 C ATOM 623 O LEU A 44 5.148 -1.730 1.381 1.00 0.00 O ATOM 624 CB LEU A 44 6.467 -2.553 3.796 1.00 0.00 C ATOM 625 CG LEU A 44 7.199 -1.227 3.970 1.00 0.00 C ATOM 626 CD1 LEU A 44 6.631 -0.500 5.096 1.00 0.00 C ATOM 627 CD2 LEU A 44 8.639 -1.390 4.242 1.00 0.00 C ATOM 0 H LEU A 44 4.824 -4.340 2.977 1.00 0.00 H new ATOM 0 HA LEU A 44 4.599 -1.950 4.582 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.680 -3.192 4.653 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.858 -3.062 2.915 1.00 0.00 H new ATOM 0 HG LEU A 44 7.080 -0.691 3.029 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.155 0.448 5.219 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.574 -0.308 4.910 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.737 -1.094 6.004 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.101 -0.409 4.355 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.773 -1.963 5.160 1.00 0.00 H new ATOM 0 HD23 LEU A 44 9.108 -1.918 3.412 1.00 0.00 H new ATOM 639 N VAL A 45 3.743 -0.622 2.680 1.00 0.00 N ATOM 640 CA VAL A 45 3.335 0.256 1.652 1.00 0.00 C ATOM 641 C VAL A 45 4.114 1.550 1.724 1.00 0.00 C ATOM 642 O VAL A 45 4.167 2.225 2.755 1.00 0.00 O ATOM 643 CB VAL A 45 1.781 0.491 1.635 1.00 0.00 C ATOM 644 CG1 VAL A 45 1.241 0.798 3.016 1.00 0.00 C ATOM 645 CG2 VAL A 45 1.406 1.613 0.681 1.00 0.00 C ATOM 0 H VAL A 45 3.283 -0.464 3.577 1.00 0.00 H new ATOM 0 HA VAL A 45 3.565 -0.222 0.700 1.00 0.00 H new ATOM 0 HB VAL A 45 1.329 -0.438 1.289 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.164 0.954 2.959 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.452 -0.038 3.683 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.718 1.699 3.401 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.325 1.753 0.690 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.894 2.536 0.995 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.730 1.356 -0.328 1.00 0.00 H new ATOM 655 N HIS A 46 4.782 1.851 0.663 1.00 0.00 N ATOM 656 CA HIS A 46 5.473 3.083 0.577 1.00 0.00 C ATOM 657 C HIS A 46 4.760 4.029 -0.311 1.00 0.00 C ATOM 658 O HIS A 46 4.597 3.790 -1.518 1.00 0.00 O ATOM 659 CB HIS A 46 6.989 2.994 0.312 1.00 0.00 C ATOM 660 CG HIS A 46 7.487 2.172 -0.816 1.00 0.00 C ATOM 661 ND1 HIS A 46 8.245 2.685 -1.832 1.00 0.00 N ATOM 662 CD2 HIS A 46 7.490 0.852 -0.990 1.00 0.00 C ATOM 663 CE1 HIS A 46 8.697 1.707 -2.568 1.00 0.00 C ATOM 664 NE2 HIS A 46 8.250 0.587 -2.083 1.00 0.00 N ATOM 0 H HIS A 46 4.862 1.254 -0.160 1.00 0.00 H new ATOM 0 HA HIS A 46 5.454 3.494 1.586 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.354 4.010 0.162 1.00 0.00 H new ATOM 0 HB3 HIS A 46 7.458 2.618 1.221 1.00 0.00 H new ATOM 0 HD2 HIS A 46 6.981 0.125 -0.374 1.00 0.00 H new ATOM 0 HE1 HIS A 46 9.335 1.811 -3.434 1.00 0.00 H new ATOM 0 HE2 HIS A 46 8.440 -0.341 -2.462 1.00 0.00 H new ATOM 673 N PHE A 47 4.259 5.048 0.328 1.00 0.00 N ATOM 674 CA PHE A 47 3.491 6.097 -0.278 1.00 0.00 C ATOM 675 C PHE A 47 4.455 6.982 -1.069 1.00 0.00 C ATOM 676 O PHE A 47 4.462 6.942 -2.310 1.00 0.00 O ATOM 677 CB PHE A 47 2.745 6.879 0.855 1.00 0.00 C ATOM 678 CG PHE A 47 1.842 6.004 1.699 1.00 0.00 C ATOM 679 CD1 PHE A 47 2.360 5.186 2.695 1.00 0.00 C ATOM 680 CD2 PHE A 47 0.477 5.992 1.484 1.00 0.00 C ATOM 681 CE1 PHE A 47 1.538 4.384 3.448 1.00 0.00 C ATOM 682 CE2 PHE A 47 -0.348 5.191 2.236 1.00 0.00 C ATOM 683 CZ PHE A 47 0.181 4.387 3.219 1.00 0.00 C ATOM 0 H PHE A 47 4.381 5.175 1.333 1.00 0.00 H new ATOM 0 HA PHE A 47 2.736 5.717 -0.966 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.481 7.357 1.501 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.150 7.674 0.406 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.424 5.181 2.880 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.053 6.620 0.715 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.956 3.752 4.218 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.413 5.193 2.055 1.00 0.00 H new ATOM 0 HZ PHE A 47 -0.468 3.759 3.811 1.00 0.00 H new ATOM 693 N GLU A 48 5.272 7.727 -0.323 1.00 0.00 N ATOM 694 CA GLU A 48 6.404 8.540 -0.798 1.00 0.00 C ATOM 695 C GLU A 48 6.755 9.500 0.303 1.00 0.00 C ATOM 696 O GLU A 48 7.869 9.489 0.845 1.00 0.00 O ATOM 697 CB GLU A 48 6.133 9.369 -2.065 1.00 0.00 C ATOM 698 CG GLU A 48 7.389 10.092 -2.553 1.00 0.00 C ATOM 699 CD GLU A 48 7.133 11.064 -3.661 1.00 0.00 C ATOM 700 OE1 GLU A 48 6.876 10.624 -4.806 1.00 0.00 O ATOM 701 OE2 GLU A 48 7.219 12.290 -3.421 1.00 0.00 O ATOM 0 H GLU A 48 5.159 7.786 0.689 1.00 0.00 H new ATOM 0 HA GLU A 48 7.199 7.841 -1.057 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.761 8.715 -2.854 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.350 10.099 -1.860 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.841 10.622 -1.714 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.115 9.352 -2.891 1.00 0.00 H new ATOM 708 N ARG A 49 5.783 10.312 0.641 1.00 0.00 N ATOM 709 CA ARG A 49 5.903 11.342 1.636 1.00 0.00 C ATOM 710 C ARG A 49 4.506 11.885 1.919 1.00 0.00 C ATOM 711 O ARG A 49 3.818 12.377 1.015 1.00 0.00 O ATOM 712 CB ARG A 49 6.877 12.455 1.161 1.00 0.00 C ATOM 713 CG ARG A 49 6.452 13.227 -0.086 1.00 0.00 C ATOM 714 CD ARG A 49 7.549 14.158 -0.563 1.00 0.00 C ATOM 715 NE ARG A 49 8.660 13.426 -1.185 1.00 0.00 N ATOM 716 CZ ARG A 49 9.933 13.438 -0.758 1.00 0.00 C ATOM 717 NH1 ARG A 49 10.254 14.055 0.383 1.00 0.00 N ATOM 718 NH2 ARG A 49 10.879 12.847 -1.474 1.00 0.00 N ATOM 0 H ARG A 49 4.857 10.270 0.215 1.00 0.00 H new ATOM 0 HA ARG A 49 6.325 10.939 2.557 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.011 13.166 1.976 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.850 12.002 0.970 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.198 12.525 -0.881 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.553 13.803 0.130 1.00 0.00 H new ATOM 0 HD2 ARG A 49 7.136 14.868 -1.280 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.924 14.738 0.280 1.00 0.00 H new ATOM 0 HE ARG A 49 8.447 12.863 -2.008 1.00 0.00 H new ATOM 0 HH11 ARG A 49 9.531 14.519 0.933 1.00 0.00 H new ATOM 0 HH12 ARG A 49 11.222 14.062 0.704 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.640 12.383 -2.350 1.00 0.00 H new ATOM 0 HH22 ARG A 49 11.846 12.857 -1.149 1.00 0.00 H new ATOM 732 N TRP A 50 4.072 11.769 3.133 1.00 0.00 N ATOM 733 CA TRP A 50 2.735 12.168 3.470 1.00 0.00 C ATOM 734 C TRP A 50 2.675 12.936 4.780 1.00 0.00 C ATOM 735 O TRP A 50 2.207 14.073 4.823 1.00 0.00 O ATOM 736 CB TRP A 50 1.723 10.982 3.383 1.00 0.00 C ATOM 737 CG TRP A 50 1.984 9.713 4.219 1.00 0.00 C ATOM 738 CD1 TRP A 50 3.173 9.173 4.677 1.00 0.00 C ATOM 739 CD2 TRP A 50 0.987 8.786 4.616 1.00 0.00 C ATOM 740 NE1 TRP A 50 2.936 8.040 5.375 1.00 0.00 N ATOM 741 CE2 TRP A 50 1.616 7.764 5.349 1.00 0.00 C ATOM 742 CE3 TRP A 50 -0.376 8.733 4.441 1.00 0.00 C ATOM 743 CZ2 TRP A 50 0.914 6.708 5.900 1.00 0.00 C ATOM 744 CZ3 TRP A 50 -1.069 7.688 4.971 1.00 0.00 C ATOM 745 CH2 TRP A 50 -0.430 6.684 5.698 1.00 0.00 C ATOM 0 H TRP A 50 4.620 11.402 3.911 1.00 0.00 H new ATOM 0 HA TRP A 50 2.410 12.877 2.709 1.00 0.00 H new ATOM 0 HB2 TRP A 50 0.742 11.365 3.664 1.00 0.00 H new ATOM 0 HB3 TRP A 50 1.659 10.680 2.338 1.00 0.00 H new ATOM 0 HD1 TRP A 50 4.151 9.596 4.502 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.646 7.480 5.848 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -0.889 9.509 3.891 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.412 5.935 6.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -2.138 7.635 4.825 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.013 5.873 6.108 1.00 0.00 H new ATOM 756 N SER A 51 3.130 12.333 5.824 1.00 0.00 N ATOM 757 CA SER A 51 3.241 12.950 7.124 1.00 0.00 C ATOM 758 C SER A 51 4.282 12.157 7.870 1.00 0.00 C ATOM 759 O SER A 51 4.001 11.560 8.910 1.00 0.00 O ATOM 760 CB SER A 51 1.880 12.942 7.874 1.00 0.00 C ATOM 761 OG SER A 51 0.884 13.684 7.159 1.00 0.00 O ATOM 0 H SER A 51 3.449 11.364 5.808 1.00 0.00 H new ATOM 0 HA SER A 51 3.527 13.998 7.040 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.543 11.914 8.009 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.009 13.368 8.869 1.00 0.00 H new ATOM 0 HG SER A 51 1.265 14.018 6.320 1.00 0.00 H new ATOM 767 N HIS A 52 5.486 12.118 7.269 1.00 0.00 N ATOM 768 CA HIS A 52 6.611 11.273 7.702 1.00 0.00 C ATOM 769 C HIS A 52 6.290 9.860 7.357 1.00 0.00 C ATOM 770 O HIS A 52 5.276 9.621 6.710 1.00 0.00 O ATOM 771 CB HIS A 52 6.914 11.369 9.200 1.00 0.00 C ATOM 772 CG HIS A 52 7.407 12.700 9.648 1.00 0.00 C ATOM 773 ND1 HIS A 52 6.616 13.601 10.303 1.00 0.00 N ATOM 774 CD2 HIS A 52 8.612 13.287 9.526 1.00 0.00 C ATOM 775 CE1 HIS A 52 7.301 14.683 10.563 1.00 0.00 C ATOM 776 NE2 HIS A 52 8.520 14.526 10.103 1.00 0.00 N ATOM 0 H HIS A 52 5.707 12.686 6.451 1.00 0.00 H new ATOM 0 HA HIS A 52 7.503 11.629 7.186 1.00 0.00 H new ATOM 0 HB2 HIS A 52 6.009 11.125 9.757 1.00 0.00 H new ATOM 0 HB3 HIS A 52 7.659 10.615 9.456 1.00 0.00 H new ATOM 0 HD2 HIS A 52 9.488 12.861 9.060 1.00 0.00 H new ATOM 0 HE1 HIS A 52 6.927 15.559 11.071 1.00 0.00 H new ATOM 0 HE2 HIS A 52 9.273 15.212 10.165 1.00 0.00 H new ATOM 785 N ARG A 53 7.165 8.933 7.738 1.00 0.00 N ATOM 786 CA ARG A 53 6.915 7.512 7.583 1.00 0.00 C ATOM 787 C ARG A 53 6.697 7.170 6.109 1.00 0.00 C ATOM 788 O ARG A 53 5.572 6.908 5.668 1.00 0.00 O ATOM 789 CB ARG A 53 5.707 7.114 8.430 1.00 0.00 C ATOM 790 CG ARG A 53 5.873 7.378 9.917 1.00 0.00 C ATOM 791 CD ARG A 53 4.528 7.377 10.617 1.00 0.00 C ATOM 792 NE ARG A 53 3.722 8.563 10.263 1.00 0.00 N ATOM 793 CZ ARG A 53 2.527 8.540 9.644 1.00 0.00 C ATOM 794 NH1 ARG A 53 2.026 7.400 9.198 1.00 0.00 N ATOM 795 NH2 ARG A 53 1.848 9.668 9.475 1.00 0.00 N ATOM 0 H ARG A 53 8.066 9.151 8.163 1.00 0.00 H new ATOM 0 HA ARG A 53 7.782 6.948 7.928 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.832 7.656 8.072 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.507 6.053 8.281 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.517 6.617 10.356 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.366 8.338 10.068 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.980 6.473 10.350 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.680 7.350 11.696 1.00 0.00 H new ATOM 0 HE ARG A 53 4.103 9.477 10.508 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.546 6.531 9.322 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.120 7.390 8.730 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.232 10.550 9.814 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.942 9.653 9.006 1.00 0.00 H new ATOM 809 N TYR A 54 7.772 7.231 5.355 1.00 0.00 N ATOM 810 CA TYR A 54 7.716 7.030 3.921 1.00 0.00 C ATOM 811 C TYR A 54 7.429 5.580 3.558 1.00 0.00 C ATOM 812 O TYR A 54 6.854 5.306 2.497 1.00 0.00 O ATOM 813 CB TYR A 54 8.968 7.585 3.217 1.00 0.00 C ATOM 814 CG TYR A 54 10.284 7.044 3.723 1.00 0.00 C ATOM 815 CD1 TYR A 54 10.913 7.605 4.831 1.00 0.00 C ATOM 816 CD2 TYR A 54 10.893 5.981 3.096 1.00 0.00 C ATOM 817 CE1 TYR A 54 12.111 7.107 5.291 1.00 0.00 C ATOM 818 CE2 TYR A 54 12.085 5.483 3.551 1.00 0.00 C ATOM 819 CZ TYR A 54 12.691 6.042 4.646 1.00 0.00 C ATOM 820 OH TYR A 54 13.892 5.527 5.096 1.00 0.00 O ATOM 0 H TYR A 54 8.707 7.421 5.715 1.00 0.00 H new ATOM 0 HA TYR A 54 6.871 7.608 3.547 1.00 0.00 H new ATOM 0 HB2 TYR A 54 8.891 7.370 2.151 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.974 8.670 3.324 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.455 8.442 5.336 1.00 0.00 H new ATOM 0 HD2 TYR A 54 10.424 5.533 2.232 1.00 0.00 H new ATOM 0 HE1 TYR A 54 12.591 7.550 6.151 1.00 0.00 H new ATOM 0 HE2 TYR A 54 12.548 4.648 3.046 1.00 0.00 H new ATOM 0 HH TYR A 54 14.160 4.776 4.526 1.00 0.00 H new ATOM 830 N ASP A 55 7.829 4.667 4.428 1.00 0.00 N ATOM 831 CA ASP A 55 7.494 3.255 4.273 1.00 0.00 C ATOM 832 C ASP A 55 6.749 2.877 5.514 1.00 0.00 C ATOM 833 O ASP A 55 7.329 2.915 6.606 1.00 0.00 O ATOM 834 CB ASP A 55 8.712 2.298 4.224 1.00 0.00 C ATOM 835 CG ASP A 55 9.774 2.551 3.196 1.00 0.00 C ATOM 836 OD1 ASP A 55 9.495 2.554 1.993 1.00 0.00 O ATOM 837 OD2 ASP A 55 10.953 2.654 3.599 1.00 0.00 O ATOM 0 H ASP A 55 8.389 4.877 5.254 1.00 0.00 H new ATOM 0 HA ASP A 55 6.955 3.154 3.331 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.188 2.315 5.205 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.335 1.287 4.070 1.00 0.00 H new ATOM 842 N GLU A 56 5.521 2.504 5.397 1.00 0.00 N ATOM 843 CA GLU A 56 4.761 2.145 6.561 1.00 0.00 C ATOM 844 C GLU A 56 3.924 0.874 6.311 1.00 0.00 C ATOM 845 O GLU A 56 3.477 0.632 5.199 1.00 0.00 O ATOM 846 CB GLU A 56 3.912 3.324 6.985 1.00 0.00 C ATOM 847 CG GLU A 56 2.944 2.982 8.109 1.00 0.00 C ATOM 848 CD GLU A 56 2.221 4.143 8.696 1.00 0.00 C ATOM 849 OE1 GLU A 56 2.824 4.892 9.494 1.00 0.00 O ATOM 850 OE2 GLU A 56 1.024 4.295 8.439 1.00 0.00 O ATOM 0 H GLU A 56 5.016 2.437 4.513 1.00 0.00 H new ATOM 0 HA GLU A 56 5.439 1.903 7.379 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.563 4.137 7.307 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.349 3.688 6.125 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.210 2.270 7.731 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.496 2.479 8.903 1.00 0.00 H new ATOM 857 N TRP A 57 3.775 0.046 7.334 1.00 0.00 N ATOM 858 CA TRP A 57 3.042 -1.204 7.218 1.00 0.00 C ATOM 859 C TRP A 57 1.573 -1.011 7.499 1.00 0.00 C ATOM 860 O TRP A 57 1.194 -0.345 8.479 1.00 0.00 O ATOM 861 CB TRP A 57 3.578 -2.249 8.191 1.00 0.00 C ATOM 862 CG TRP A 57 4.974 -2.694 7.919 1.00 0.00 C ATOM 863 CD1 TRP A 57 6.124 -2.029 8.219 1.00 0.00 C ATOM 864 CD2 TRP A 57 5.368 -3.921 7.316 1.00 0.00 C ATOM 865 NE1 TRP A 57 7.207 -2.751 7.806 1.00 0.00 N ATOM 866 CE2 TRP A 57 6.772 -3.926 7.259 1.00 0.00 C ATOM 867 CE3 TRP A 57 4.667 -5.017 6.810 1.00 0.00 C ATOM 868 CZ2 TRP A 57 7.483 -4.982 6.721 1.00 0.00 C ATOM 869 CZ3 TRP A 57 5.374 -6.065 6.280 1.00 0.00 C ATOM 870 CH2 TRP A 57 6.766 -6.041 6.238 1.00 0.00 C ATOM 0 H TRP A 57 4.157 0.221 8.263 1.00 0.00 H new ATOM 0 HA TRP A 57 3.176 -1.547 6.192 1.00 0.00 H new ATOM 0 HB2 TRP A 57 3.531 -1.843 9.201 1.00 0.00 H new ATOM 0 HB3 TRP A 57 2.922 -3.119 8.166 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.172 -1.069 8.712 1.00 0.00 H new ATOM 0 HE1 TRP A 57 8.181 -2.461 7.892 1.00 0.00 H new ATOM 0 HE3 TRP A 57 3.588 -5.039 6.836 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 8.562 -4.971 6.684 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 4.844 -6.921 5.890 1.00 0.00 H new ATOM 0 HH2 TRP A 57 7.293 -6.882 5.812 1.00 0.00 H new ATOM 881 N ILE A 58 0.747 -1.579 6.656 1.00 0.00 N ATOM 882 CA ILE A 58 -0.698 -1.555 6.831 1.00 0.00 C ATOM 883 C ILE A 58 -1.213 -2.963 6.440 1.00 0.00 C ATOM 884 O ILE A 58 -0.443 -3.752 5.895 1.00 0.00 O ATOM 885 CB ILE A 58 -1.389 -0.407 5.974 1.00 0.00 C ATOM 886 CG1 ILE A 58 -0.714 0.961 6.232 1.00 0.00 C ATOM 887 CG2 ILE A 58 -2.879 -0.288 6.303 1.00 0.00 C ATOM 888 CD1 ILE A 58 -1.339 2.132 5.492 1.00 0.00 C ATOM 0 H ILE A 58 1.053 -2.077 5.820 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.954 -1.324 7.865 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.272 -0.681 4.925 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.744 1.168 7.302 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.336 0.891 5.950 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.322 0.505 5.701 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.377 -1.232 6.083 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.000 -0.052 7.360 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.799 3.047 5.736 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.285 1.954 4.418 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.382 2.236 5.791 1.00 0.00 H new ATOM 900 N TYR A 59 -2.450 -3.291 6.760 1.00 0.00 N ATOM 901 CA TYR A 59 -3.015 -4.616 6.481 1.00 0.00 C ATOM 902 C TYR A 59 -3.896 -4.571 5.206 1.00 0.00 C ATOM 903 O TYR A 59 -4.038 -3.512 4.581 1.00 0.00 O ATOM 904 CB TYR A 59 -3.860 -5.098 7.679 1.00 0.00 C ATOM 905 CG TYR A 59 -3.134 -5.243 9.015 1.00 0.00 C ATOM 906 CD1 TYR A 59 -2.712 -4.128 9.728 1.00 0.00 C ATOM 907 CD2 TYR A 59 -2.907 -6.494 9.574 1.00 0.00 C ATOM 908 CE1 TYR A 59 -2.085 -4.251 10.950 1.00 0.00 C ATOM 909 CE2 TYR A 59 -2.286 -6.624 10.803 1.00 0.00 C ATOM 910 CZ TYR A 59 -1.877 -5.498 11.485 1.00 0.00 C ATOM 911 OH TYR A 59 -1.259 -5.619 12.716 1.00 0.00 O ATOM 0 H TYR A 59 -3.099 -2.653 7.221 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.193 -5.313 6.319 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.687 -4.401 7.815 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.296 -6.063 7.422 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.879 -3.144 9.316 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.220 -7.379 9.041 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.759 -3.370 11.484 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.122 -7.604 11.227 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.188 -6.567 12.954 1.00 0.00 H new ATOM 921 N TRP A 60 -4.512 -5.709 4.849 1.00 0.00 N ATOM 922 CA TRP A 60 -5.337 -5.820 3.623 1.00 0.00 C ATOM 923 C TRP A 60 -6.629 -4.990 3.754 1.00 0.00 C ATOM 924 O TRP A 60 -7.552 -5.400 4.470 1.00 0.00 O ATOM 925 CB TRP A 60 -5.776 -7.274 3.355 1.00 0.00 C ATOM 926 CG TRP A 60 -4.750 -8.349 3.562 1.00 0.00 C ATOM 927 CD1 TRP A 60 -4.819 -9.336 4.495 1.00 0.00 C ATOM 928 CD2 TRP A 60 -3.522 -8.563 2.848 1.00 0.00 C ATOM 929 NE1 TRP A 60 -3.743 -10.162 4.394 1.00 0.00 N ATOM 930 CE2 TRP A 60 -2.922 -9.707 3.407 1.00 0.00 C ATOM 931 CE3 TRP A 60 -2.868 -7.914 1.799 1.00 0.00 C ATOM 932 CZ2 TRP A 60 -1.717 -10.210 2.961 1.00 0.00 C ATOM 933 CZ3 TRP A 60 -1.659 -8.425 1.360 1.00 0.00 C ATOM 934 CH2 TRP A 60 -1.100 -9.558 1.942 1.00 0.00 C ATOM 0 H TRP A 60 -4.457 -6.572 5.391 1.00 0.00 H new ATOM 0 HA TRP A 60 -4.712 -5.456 2.808 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -6.629 -7.493 3.997 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -6.128 -7.336 2.325 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -5.616 -9.448 5.215 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -3.577 -10.990 4.966 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.295 -7.034 1.341 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -1.280 -11.091 3.407 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -1.140 -7.935 0.550 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -0.154 -9.928 1.575 1.00 0.00 H new ATOM 945 N ASP A 61 -6.665 -3.817 3.101 1.00 0.00 N ATOM 946 CA ASP A 61 -7.848 -2.866 3.065 1.00 0.00 C ATOM 947 C ASP A 61 -8.298 -2.488 4.448 1.00 0.00 C ATOM 948 O ASP A 61 -9.428 -2.027 4.622 1.00 0.00 O ATOM 949 CB ASP A 61 -9.106 -3.433 2.378 1.00 0.00 C ATOM 950 CG ASP A 61 -8.947 -3.961 0.991 1.00 0.00 C ATOM 951 OD1 ASP A 61 -8.500 -5.120 0.827 1.00 0.00 O ATOM 952 OD2 ASP A 61 -9.352 -3.268 0.042 1.00 0.00 O ATOM 0 H ASP A 61 -5.869 -3.473 2.564 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.464 -2.019 2.497 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.499 -4.236 3.002 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.862 -2.648 2.356 1.00 0.00 H new ATOM 957 N SER A 62 -7.419 -2.614 5.407 1.00 0.00 N ATOM 958 CA SER A 62 -7.758 -2.429 6.803 1.00 0.00 C ATOM 959 C SER A 62 -8.316 -1.035 7.086 1.00 0.00 C ATOM 960 O SER A 62 -9.163 -0.849 7.971 1.00 0.00 O ATOM 961 CB SER A 62 -6.527 -2.715 7.612 1.00 0.00 C ATOM 962 OG SER A 62 -5.437 -1.953 7.122 1.00 0.00 O ATOM 0 H SER A 62 -6.440 -2.849 5.246 1.00 0.00 H new ATOM 0 HA SER A 62 -8.556 -3.117 7.080 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.707 -2.475 8.660 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.289 -3.778 7.564 1.00 0.00 H new ATOM 0 HG SER A 62 -4.822 -1.751 7.858 1.00 0.00 H new ATOM 968 N ASN A 63 -7.854 -0.077 6.312 1.00 0.00 N ATOM 969 CA ASN A 63 -8.292 1.302 6.401 1.00 0.00 C ATOM 970 C ASN A 63 -7.763 2.109 5.233 1.00 0.00 C ATOM 971 O ASN A 63 -8.423 3.023 4.757 1.00 0.00 O ATOM 972 CB ASN A 63 -7.876 1.985 7.734 1.00 0.00 C ATOM 973 CG ASN A 63 -6.387 1.891 8.036 1.00 0.00 C ATOM 974 OD1 ASN A 63 -5.598 2.672 7.547 1.00 0.00 O ATOM 975 ND2 ASN A 63 -6.009 0.978 8.889 1.00 0.00 N ATOM 0 H ASN A 63 -7.151 -0.236 5.590 1.00 0.00 H new ATOM 0 HA ASN A 63 -9.381 1.277 6.371 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.164 3.036 7.698 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -8.432 1.530 8.553 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -5.028 0.908 9.160 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.694 0.334 9.284 1.00 0.00 H new ATOM 982 N ARG A 64 -6.580 1.763 4.753 1.00 0.00 N ATOM 983 CA ARG A 64 -5.931 2.556 3.717 1.00 0.00 C ATOM 984 C ARG A 64 -5.309 1.738 2.622 1.00 0.00 C ATOM 985 O ARG A 64 -4.378 2.181 1.987 1.00 0.00 O ATOM 986 CB ARG A 64 -4.889 3.444 4.350 1.00 0.00 C ATOM 987 CG ARG A 64 -5.442 4.759 4.794 1.00 0.00 C ATOM 988 CD ARG A 64 -4.446 5.518 5.639 1.00 0.00 C ATOM 989 NE ARG A 64 -4.129 4.782 6.866 1.00 0.00 N ATOM 990 CZ ARG A 64 -3.277 5.155 7.811 1.00 0.00 C ATOM 991 NH1 ARG A 64 -2.787 6.386 7.837 1.00 0.00 N ATOM 992 NH2 ARG A 64 -2.973 4.299 8.789 1.00 0.00 N ATOM 0 H ARG A 64 -6.052 0.946 5.059 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.713 3.149 3.241 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -4.452 2.931 5.207 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.083 3.616 3.637 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.711 5.355 3.922 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.357 4.597 5.364 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.534 5.688 5.067 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -4.851 6.498 5.893 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.612 3.895 7.007 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -3.065 7.061 7.124 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -2.132 6.659 8.570 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.395 3.370 8.803 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -2.319 4.574 9.522 1.00 0.00 H new ATOM 1006 N LEU A 65 -5.851 0.601 2.353 1.00 0.00 N ATOM 1007 CA LEU A 65 -5.308 -0.245 1.308 1.00 0.00 C ATOM 1008 C LEU A 65 -6.392 -0.750 0.395 1.00 0.00 C ATOM 1009 O LEU A 65 -7.521 -0.904 0.824 1.00 0.00 O ATOM 1010 CB LEU A 65 -4.498 -1.411 1.892 1.00 0.00 C ATOM 1011 CG LEU A 65 -2.977 -1.270 1.832 1.00 0.00 C ATOM 1012 CD1 LEU A 65 -2.530 -0.940 0.428 1.00 0.00 C ATOM 1013 CD2 LEU A 65 -2.468 -0.228 2.787 1.00 0.00 C ATOM 0 H LEU A 65 -6.668 0.222 2.832 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.628 0.368 0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.789 -1.543 2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.779 -2.322 1.364 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.555 -2.230 2.130 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.445 -0.843 0.405 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.838 -1.737 -0.249 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.985 -0.001 0.113 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.383 -0.163 2.710 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.908 0.738 2.540 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.743 -0.502 3.805 1.00 0.00 H new ATOM 1025 N ARG A 66 -6.064 -0.916 -0.869 1.00 0.00 N ATOM 1026 CA ARG A 66 -6.964 -1.472 -1.844 1.00 0.00 C ATOM 1027 C ARG A 66 -6.150 -2.326 -2.838 1.00 0.00 C ATOM 1028 O ARG A 66 -5.078 -1.872 -3.379 1.00 0.00 O ATOM 1029 CB ARG A 66 -7.747 -0.369 -2.585 1.00 0.00 C ATOM 1030 CG ARG A 66 -9.013 -0.891 -3.245 1.00 0.00 C ATOM 1031 CD ARG A 66 -9.806 0.193 -3.955 1.00 0.00 C ATOM 1032 NE ARG A 66 -9.230 0.567 -5.248 1.00 0.00 N ATOM 1033 CZ ARG A 66 -9.947 0.967 -6.305 1.00 0.00 C ATOM 1034 NH1 ARG A 66 -11.244 1.196 -6.195 1.00 0.00 N ATOM 1035 NH2 ARG A 66 -9.340 1.187 -7.455 1.00 0.00 N ATOM 0 H ARG A 66 -5.151 -0.664 -1.248 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.699 -2.096 -1.335 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.008 0.421 -1.881 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.105 0.080 -3.343 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.748 -1.668 -3.962 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.644 -1.358 -2.489 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -10.829 -0.152 -4.105 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.857 1.075 -3.317 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.216 0.520 -5.350 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -11.710 1.068 -5.297 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -11.779 1.501 -7.008 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.332 1.052 -7.534 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.879 1.492 -8.266 1.00 0.00 H new ATOM 1049 N PRO A 67 -6.600 -3.574 -3.070 1.00 0.00 N ATOM 1050 CA PRO A 67 -5.921 -4.517 -3.926 1.00 0.00 C ATOM 1051 C PRO A 67 -6.209 -4.309 -5.397 1.00 0.00 C ATOM 1052 O PRO A 67 -6.852 -3.332 -5.802 1.00 0.00 O ATOM 1053 CB PRO A 67 -6.473 -5.862 -3.463 1.00 0.00 C ATOM 1054 CG PRO A 67 -7.863 -5.559 -3.057 1.00 0.00 C ATOM 1055 CD PRO A 67 -7.831 -4.166 -2.494 1.00 0.00 C ATOM 0 HA PRO A 67 -4.838 -4.421 -3.846 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.443 -6.602 -4.263 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.894 -6.266 -2.633 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -8.541 -5.621 -3.908 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.218 -6.273 -2.314 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.717 -3.600 -2.780 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.797 -4.177 -1.405 1.00 0.00 H new ATOM 1063 N LEU A 68 -5.683 -5.216 -6.183 1.00 0.00 N ATOM 1064 CA LEU A 68 -5.884 -5.265 -7.606 1.00 0.00 C ATOM 1065 C LEU A 68 -7.355 -5.369 -7.949 1.00 0.00 C ATOM 1066 O LEU A 68 -8.163 -5.840 -7.140 1.00 0.00 O ATOM 1067 CB LEU A 68 -5.178 -6.495 -8.153 1.00 0.00 C ATOM 1068 CG LEU A 68 -3.685 -6.404 -8.432 1.00 0.00 C ATOM 1069 CD1 LEU A 68 -3.141 -7.778 -8.779 1.00 0.00 C ATOM 1070 CD2 LEU A 68 -3.426 -5.456 -9.579 1.00 0.00 C ATOM 0 H LEU A 68 -5.083 -5.964 -5.836 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.485 -4.350 -8.043 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.335 -7.310 -7.447 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.673 -6.777 -9.082 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.184 -6.030 -7.539 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.072 -7.706 -8.978 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.310 -8.458 -7.944 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.650 -8.158 -9.665 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.354 -5.399 -9.769 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.934 -5.818 -10.472 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.802 -4.465 -9.324 1.00 0.00 H new ATOM 1082 N GLU A 69 -7.682 -4.899 -9.130 1.00 0.00 N ATOM 1083 CA GLU A 69 -9.004 -5.032 -9.717 1.00 0.00 C ATOM 1084 C GLU A 69 -9.432 -6.506 -9.673 1.00 0.00 C ATOM 1085 O GLU A 69 -10.549 -6.840 -9.303 1.00 0.00 O ATOM 1086 CB GLU A 69 -8.942 -4.506 -11.158 1.00 0.00 C ATOM 1087 CG GLU A 69 -7.727 -5.023 -11.927 1.00 0.00 C ATOM 1088 CD GLU A 69 -7.684 -4.573 -13.349 1.00 0.00 C ATOM 1089 OE1 GLU A 69 -7.155 -3.477 -13.633 1.00 0.00 O ATOM 1090 OE2 GLU A 69 -8.160 -5.318 -14.215 1.00 0.00 O ATOM 0 H GLU A 69 -7.023 -4.400 -9.728 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.742 -4.454 -9.161 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.850 -4.797 -11.685 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.919 -3.416 -11.141 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.820 -4.691 -11.422 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.727 -6.113 -11.899 1.00 0.00 H new ATOM 1097 N ARG A 70 -8.510 -7.357 -10.050 1.00 0.00 N ATOM 1098 CA ARG A 70 -8.626 -8.775 -9.947 1.00 0.00 C ATOM 1099 C ARG A 70 -7.278 -9.239 -9.467 1.00 0.00 C ATOM 1100 O ARG A 70 -6.284 -8.992 -10.158 1.00 0.00 O ATOM 1101 CB ARG A 70 -8.929 -9.475 -11.304 1.00 0.00 C ATOM 1102 CG ARG A 70 -10.256 -9.139 -11.986 1.00 0.00 C ATOM 1103 CD ARG A 70 -10.232 -7.800 -12.706 1.00 0.00 C ATOM 1104 NE ARG A 70 -11.504 -7.532 -13.376 1.00 0.00 N ATOM 1105 CZ ARG A 70 -11.742 -6.544 -14.244 1.00 0.00 C ATOM 1106 NH1 ARG A 70 -10.768 -5.718 -14.616 1.00 0.00 N ATOM 1107 NH2 ARG A 70 -12.962 -6.396 -14.757 1.00 0.00 N ATOM 0 H ARG A 70 -7.622 -7.058 -10.454 1.00 0.00 H new ATOM 0 HA ARG A 70 -9.455 -9.025 -9.285 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.123 -9.232 -11.996 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.896 -10.552 -11.142 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.500 -9.925 -12.701 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -11.050 -9.129 -11.239 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -10.021 -7.005 -11.991 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -9.425 -7.793 -13.438 1.00 0.00 H new ATOM 0 HE ARG A 70 -12.281 -8.157 -13.161 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -9.828 -5.835 -14.238 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.961 -4.967 -15.279 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -13.710 -7.035 -14.487 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -13.149 -5.644 -15.420 1.00 0.00 H new