USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 519 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 69 HIS : no HE2:sc= 0.156 K(o=0.16,f=-2.7!) USER MOD Set 1.2: A 74 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 18 GLN : amide:sc= 0.0167 K(o=1.3,f=-3.2!) USER MOD Set 2.2: A 50 TYR OH : rot -53:sc= 1.26 USER MOD Single : A 5 TYR OH : rot 146:sc= -5.49! USER MOD Single : A 11 THR OG1 : rot -90:sc= -1.18 USER MOD Single : A 23 ASN : amide:sc= -1.36 K(o=-1.4,f=0.11) USER MOD Single : A 26 TYR OH : rot 171:sc= 1.26 USER MOD Single : A 37 TYR OH : rot 90:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -1.68! C(o=-1.7!,f=-4.1!) USER MOD Single : A 41 TYR OH : rot 60:sc= -0.445 USER MOD Single : A 47 HIS : no HD1:sc= -1.51 X(o=-1.5,f=-1.1) USER MOD Single : A 49 ASN : amide:sc= -3.78 K(o=-3.8,f=-1.1) USER MOD Single : A 54 THR OG1 : rot -59:sc= 1.18 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= -0.173 USER MOD Single : A 66 ASN : amide:sc= -1.03 K(o=-1,f=0) USER MOD Single : A 70 HIS : no HD1:sc= -2.01 X(o=-2,f=-2.1) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 55 N PRO A 4 -1.389 -1.699 -11.338 1.00 0.00 N ATOM 56 CA PRO A 4 -0.142 -1.158 -10.778 1.00 0.00 C ATOM 57 C PRO A 4 -0.175 0.362 -10.642 1.00 0.00 C ATOM 58 O PRO A 4 -0.987 1.032 -11.280 1.00 0.00 O ATOM 59 CB PRO A 4 0.923 -1.568 -11.803 1.00 0.00 C ATOM 60 CG PRO A 4 0.328 -2.719 -12.533 1.00 0.00 C ATOM 61 CD PRO A 4 -1.148 -2.450 -12.583 1.00 0.00 C ATOM 0 HA PRO A 4 0.042 -1.536 -9.772 1.00 0.00 H new ATOM 0 HB2 PRO A 4 1.155 -0.747 -12.482 1.00 0.00 H new ATOM 0 HB3 PRO A 4 1.855 -1.850 -11.313 1.00 0.00 H new ATOM 0 HG2 PRO A 4 0.745 -2.804 -13.537 1.00 0.00 H new ATOM 0 HG3 PRO A 4 0.538 -3.658 -12.021 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -1.423 -1.870 -13.464 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.726 -3.374 -12.616 1.00 0.00 H new ATOM 69 N TYR A 5 0.726 0.901 -9.824 1.00 0.00 N ATOM 70 CA TYR A 5 0.806 2.346 -9.628 1.00 0.00 C ATOM 71 C TYR A 5 2.243 2.785 -9.422 1.00 0.00 C ATOM 72 O TYR A 5 2.677 3.789 -9.986 1.00 0.00 O ATOM 73 CB TYR A 5 -0.051 2.800 -8.442 1.00 0.00 C ATOM 74 CG TYR A 5 -1.485 3.073 -8.825 1.00 0.00 C ATOM 75 CD1 TYR A 5 -2.349 2.033 -9.126 1.00 0.00 C ATOM 76 CD2 TYR A 5 -1.970 4.372 -8.904 1.00 0.00 C ATOM 77 CE1 TYR A 5 -3.658 2.275 -9.493 1.00 0.00 C ATOM 78 CE2 TYR A 5 -3.277 4.625 -9.275 1.00 0.00 C ATOM 79 CZ TYR A 5 -4.117 3.574 -9.568 1.00 0.00 C ATOM 80 OH TYR A 5 -5.418 3.821 -9.939 1.00 0.00 O ATOM 0 H TYR A 5 1.407 0.362 -9.289 1.00 0.00 H new ATOM 0 HA TYR A 5 0.418 2.816 -10.532 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -0.027 2.033 -7.668 1.00 0.00 H new ATOM 0 HB3 TYR A 5 0.383 3.702 -8.011 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.993 1.015 -9.073 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.315 5.198 -8.672 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -4.319 1.452 -9.720 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -3.638 5.641 -9.335 1.00 0.00 H new ATOM 0 HH TYR A 5 -5.750 4.610 -9.462 1.00 0.00 H new ATOM 90 N VAL A 6 2.988 2.027 -8.623 1.00 0.00 N ATOM 91 CA VAL A 6 4.379 2.354 -8.368 1.00 0.00 C ATOM 92 C VAL A 6 4.514 3.726 -7.712 1.00 0.00 C ATOM 93 O VAL A 6 3.958 4.714 -8.192 1.00 0.00 O ATOM 94 CB VAL A 6 5.186 2.339 -9.674 1.00 0.00 C ATOM 95 CG1 VAL A 6 6.677 2.447 -9.393 1.00 0.00 C ATOM 96 CG2 VAL A 6 4.872 1.083 -10.468 1.00 0.00 C ATOM 0 H VAL A 6 2.652 1.190 -8.147 1.00 0.00 H new ATOM 0 HA VAL A 6 4.771 1.598 -7.688 1.00 0.00 H new ATOM 0 HB VAL A 6 4.898 3.206 -10.269 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.227 2.434 -10.334 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.881 3.379 -8.866 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.993 1.605 -8.777 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.450 1.083 -11.392 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.132 0.205 -9.877 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.808 1.059 -10.705 1.00 0.00 H new ATOM 106 N GLY A 7 5.249 3.779 -6.611 1.00 0.00 N ATOM 107 CA GLY A 7 5.436 5.031 -5.903 1.00 0.00 C ATOM 108 C GLY A 7 5.819 4.821 -4.455 1.00 0.00 C ATOM 109 O GLY A 7 5.384 3.855 -3.832 1.00 0.00 O ATOM 0 H GLY A 7 5.720 2.977 -6.194 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.211 5.615 -6.400 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.517 5.614 -5.952 1.00 0.00 H new ATOM 113 N ILE A 8 6.626 5.726 -3.910 1.00 0.00 N ATOM 114 CA ILE A 8 7.041 5.617 -2.518 1.00 0.00 C ATOM 115 C ILE A 8 6.127 6.444 -1.635 1.00 0.00 C ATOM 116 O ILE A 8 6.291 7.655 -1.495 1.00 0.00 O ATOM 117 CB ILE A 8 8.510 6.037 -2.323 1.00 0.00 C ATOM 118 CG1 ILE A 8 9.408 5.078 -3.116 1.00 0.00 C ATOM 119 CG2 ILE A 8 8.871 6.051 -0.839 1.00 0.00 C ATOM 120 CD1 ILE A 8 10.510 4.422 -2.307 1.00 0.00 C ATOM 0 H ILE A 8 7.002 6.534 -4.406 1.00 0.00 H new ATOM 0 HA ILE A 8 6.964 4.569 -2.228 1.00 0.00 H new ATOM 0 HB ILE A 8 8.661 7.050 -2.697 1.00 0.00 H new ATOM 0 HG12 ILE A 8 8.785 4.298 -3.554 1.00 0.00 H new ATOM 0 HG13 ILE A 8 9.861 5.626 -3.942 1.00 0.00 H new ATOM 0 HG21 ILE A 8 9.912 6.350 -0.721 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.229 6.759 -0.315 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.730 5.054 -0.421 1.00 0.00 H new ATOM 0 HD11 ILE A 8 11.091 3.763 -2.952 1.00 0.00 H new ATOM 0 HD12 ILE A 8 11.162 5.190 -1.891 1.00 0.00 H new ATOM 0 HD13 ILE A 8 10.070 3.841 -1.496 1.00 0.00 H new ATOM 132 N TRP A 9 5.153 5.771 -1.056 1.00 0.00 N ATOM 133 CA TRP A 9 4.175 6.411 -0.194 1.00 0.00 C ATOM 134 C TRP A 9 4.661 6.432 1.251 1.00 0.00 C ATOM 135 O TRP A 9 4.697 5.403 1.923 1.00 0.00 O ATOM 136 CB TRP A 9 2.830 5.691 -0.321 1.00 0.00 C ATOM 137 CG TRP A 9 2.396 5.521 -1.753 1.00 0.00 C ATOM 138 CD1 TRP A 9 2.926 4.664 -2.679 1.00 0.00 C ATOM 139 CD2 TRP A 9 1.354 6.237 -2.428 1.00 0.00 C ATOM 140 NE1 TRP A 9 2.278 4.802 -3.885 1.00 0.00 N ATOM 141 CE2 TRP A 9 1.307 5.760 -3.756 1.00 0.00 C ATOM 142 CE3 TRP A 9 0.453 7.232 -2.041 1.00 0.00 C ATOM 143 CZ2 TRP A 9 0.397 6.247 -4.690 1.00 0.00 C ATOM 144 CZ3 TRP A 9 -0.451 7.714 -2.971 1.00 0.00 C ATOM 145 CH2 TRP A 9 -0.473 7.220 -4.281 1.00 0.00 C ATOM 0 H TRP A 9 5.016 4.767 -1.168 1.00 0.00 H new ATOM 0 HA TRP A 9 4.044 7.447 -0.507 1.00 0.00 H new ATOM 0 HB2 TRP A 9 2.901 4.711 0.152 1.00 0.00 H new ATOM 0 HB3 TRP A 9 2.069 6.253 0.221 1.00 0.00 H new ATOM 0 HD1 TRP A 9 3.738 3.977 -2.490 1.00 0.00 H new ATOM 0 HE1 TRP A 9 2.486 4.278 -4.735 1.00 0.00 H new ATOM 0 HE3 TRP A 9 0.462 7.619 -1.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 0.379 5.870 -5.702 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -1.151 8.484 -2.682 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -1.192 7.616 -4.983 1.00 0.00 H new ATOM 156 N VAL A 10 5.052 7.616 1.708 1.00 0.00 N ATOM 157 CA VAL A 10 5.561 7.792 3.064 1.00 0.00 C ATOM 158 C VAL A 10 4.630 8.664 3.898 1.00 0.00 C ATOM 159 O VAL A 10 3.869 9.471 3.366 1.00 0.00 O ATOM 160 CB VAL A 10 6.972 8.423 3.042 1.00 0.00 C ATOM 161 CG1 VAL A 10 7.450 8.766 4.447 1.00 0.00 C ATOM 162 CG2 VAL A 10 7.960 7.490 2.360 1.00 0.00 C ATOM 0 H VAL A 10 5.026 8.473 1.156 1.00 0.00 H new ATOM 0 HA VAL A 10 5.615 6.803 3.520 1.00 0.00 H new ATOM 0 HB VAL A 10 6.913 9.351 2.473 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.445 9.208 4.395 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.761 9.477 4.902 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.487 7.859 5.050 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.949 7.949 2.353 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.002 6.546 2.902 1.00 0.00 H new ATOM 0 HG23 VAL A 10 7.638 7.306 1.335 1.00 0.00 H new ATOM 172 N THR A 11 4.700 8.489 5.213 1.00 0.00 N ATOM 173 CA THR A 11 3.869 9.252 6.136 1.00 0.00 C ATOM 174 C THR A 11 4.239 10.733 6.116 1.00 0.00 C ATOM 175 O THR A 11 5.149 11.147 5.396 1.00 0.00 O ATOM 176 CB THR A 11 4.012 8.690 7.550 1.00 0.00 C ATOM 177 OG1 THR A 11 5.285 8.091 7.725 1.00 0.00 O ATOM 178 CG2 THR A 11 2.966 7.650 7.881 1.00 0.00 C ATOM 0 H THR A 11 5.326 7.823 5.665 1.00 0.00 H new ATOM 0 HA THR A 11 2.831 9.162 5.816 1.00 0.00 H new ATOM 0 HB THR A 11 3.883 9.541 8.218 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.237 7.143 7.480 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.121 7.289 8.898 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.974 8.094 7.800 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.049 6.816 7.184 1.00 0.00 H new ATOM 186 N ALA A 12 3.525 11.528 6.909 1.00 0.00 N ATOM 187 CA ALA A 12 3.774 12.965 6.979 1.00 0.00 C ATOM 188 C ALA A 12 4.968 13.283 7.876 1.00 0.00 C ATOM 189 O ALA A 12 5.541 14.369 7.796 1.00 0.00 O ATOM 190 CB ALA A 12 2.532 13.694 7.474 1.00 0.00 C ATOM 0 H ALA A 12 2.770 11.201 7.512 1.00 0.00 H new ATOM 0 HA ALA A 12 4.012 13.311 5.973 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.733 14.764 7.521 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.705 13.510 6.789 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.268 13.330 8.467 1.00 0.00 H new ATOM 196 N ASP A 13 5.341 12.335 8.731 1.00 0.00 N ATOM 197 CA ASP A 13 6.466 12.528 9.638 1.00 0.00 C ATOM 198 C ASP A 13 7.696 11.773 9.146 1.00 0.00 C ATOM 199 O ASP A 13 8.828 12.161 9.432 1.00 0.00 O ATOM 200 CB ASP A 13 6.096 12.068 11.050 1.00 0.00 C ATOM 201 CG ASP A 13 6.545 13.049 12.115 1.00 0.00 C ATOM 202 OD1 ASP A 13 6.143 14.230 12.042 1.00 0.00 O ATOM 203 OD2 ASP A 13 7.302 12.637 13.019 1.00 0.00 O ATOM 0 H ASP A 13 4.882 11.428 8.814 1.00 0.00 H new ATOM 0 HA ASP A 13 6.703 13.592 9.663 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.016 11.935 11.114 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.549 11.095 11.242 1.00 0.00 H new ATOM 208 N GLY A 14 7.466 10.690 8.411 1.00 0.00 N ATOM 209 CA GLY A 14 8.566 9.898 7.899 1.00 0.00 C ATOM 210 C GLY A 14 8.940 8.767 8.835 1.00 0.00 C ATOM 211 O GLY A 14 10.080 8.303 8.833 1.00 0.00 O ATOM 0 H GLY A 14 6.538 10.348 8.162 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.294 9.488 6.926 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.433 10.540 7.743 1.00 0.00 H new ATOM 215 N ARG A 15 7.974 8.315 9.630 1.00 0.00 N ATOM 216 CA ARG A 15 8.215 7.220 10.567 1.00 0.00 C ATOM 217 C ARG A 15 8.181 5.886 9.834 1.00 0.00 C ATOM 218 O ARG A 15 8.843 4.928 10.235 1.00 0.00 O ATOM 219 CB ARG A 15 7.199 7.212 11.726 1.00 0.00 C ATOM 220 CG ARG A 15 6.021 8.160 11.557 1.00 0.00 C ATOM 221 CD ARG A 15 5.056 7.669 10.491 1.00 0.00 C ATOM 222 NE ARG A 15 3.875 7.034 11.073 1.00 0.00 N ATOM 223 CZ ARG A 15 2.844 7.707 11.579 1.00 0.00 C ATOM 224 NH1 ARG A 15 2.842 9.034 11.571 1.00 0.00 N ATOM 225 NH2 ARG A 15 1.812 7.052 12.091 1.00 0.00 N ATOM 0 H ARG A 15 7.024 8.686 9.645 1.00 0.00 H new ATOM 0 HA ARG A 15 9.203 7.374 11.000 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.816 6.199 11.846 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.721 7.467 12.648 1.00 0.00 H new ATOM 0 HG2 ARG A 15 5.495 8.260 12.506 1.00 0.00 H new ATOM 0 HG3 ARG A 15 6.387 9.151 11.289 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.747 8.508 9.868 1.00 0.00 H new ATOM 0 HD3 ARG A 15 5.566 6.959 9.840 1.00 0.00 H new ATOM 0 HE ARG A 15 3.839 6.015 11.093 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.633 9.543 11.176 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.050 9.545 11.960 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.808 6.032 12.097 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.022 7.568 12.479 1.00 0.00 H new ATOM 239 N ILE A 16 7.417 5.834 8.747 1.00 0.00 N ATOM 240 CA ILE A 16 7.311 4.621 7.948 1.00 0.00 C ATOM 241 C ILE A 16 7.263 4.966 6.465 1.00 0.00 C ATOM 242 O ILE A 16 6.874 6.069 6.088 1.00 0.00 O ATOM 243 CB ILE A 16 6.080 3.760 8.348 1.00 0.00 C ATOM 244 CG1 ILE A 16 4.894 3.968 7.394 1.00 0.00 C ATOM 245 CG2 ILE A 16 5.657 4.061 9.776 1.00 0.00 C ATOM 246 CD1 ILE A 16 4.787 2.892 6.335 1.00 0.00 C ATOM 0 H ILE A 16 6.863 6.618 8.401 1.00 0.00 H new ATOM 0 HA ILE A 16 8.200 4.022 8.146 1.00 0.00 H new ATOM 0 HB ILE A 16 6.384 2.716 8.276 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.970 3.993 7.972 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.992 4.939 6.908 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.794 3.448 10.037 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.480 3.836 10.454 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.393 5.115 9.863 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.930 3.097 5.694 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.696 2.882 5.733 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.658 1.921 6.814 1.00 0.00 H new ATOM 258 N ARG A 17 7.663 4.020 5.630 1.00 0.00 N ATOM 259 CA ARG A 17 7.672 4.234 4.189 1.00 0.00 C ATOM 260 C ARG A 17 7.134 3.009 3.455 1.00 0.00 C ATOM 261 O ARG A 17 7.463 1.875 3.802 1.00 0.00 O ATOM 262 CB ARG A 17 9.098 4.576 3.728 1.00 0.00 C ATOM 263 CG ARG A 17 9.567 3.836 2.481 1.00 0.00 C ATOM 264 CD ARG A 17 11.060 4.011 2.264 1.00 0.00 C ATOM 265 NE ARG A 17 11.847 3.100 3.093 1.00 0.00 N ATOM 266 CZ ARG A 17 12.317 3.406 4.301 1.00 0.00 C ATOM 267 NH1 ARG A 17 12.077 4.597 4.838 1.00 0.00 N ATOM 268 NH2 ARG A 17 13.028 2.515 4.979 1.00 0.00 N ATOM 0 H ARG A 17 7.985 3.098 5.923 1.00 0.00 H new ATOM 0 HA ARG A 17 7.017 5.071 3.949 1.00 0.00 H new ATOM 0 HB2 ARG A 17 9.155 5.648 3.539 1.00 0.00 H new ATOM 0 HB3 ARG A 17 9.789 4.359 4.543 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.333 2.776 2.575 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.025 4.206 1.611 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.296 3.840 1.214 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.341 5.040 2.490 1.00 0.00 H new ATOM 0 HE ARG A 17 12.049 2.171 2.723 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.528 5.287 4.325 1.00 0.00 H new ATOM 0 HH12 ARG A 17 12.441 4.822 5.764 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.214 1.597 4.575 1.00 0.00 H new ATOM 0 HH22 ARG A 17 13.389 2.748 5.904 1.00 0.00 H new ATOM 282 N GLN A 18 6.310 3.246 2.439 1.00 0.00 N ATOM 283 CA GLN A 18 5.733 2.161 1.654 1.00 0.00 C ATOM 284 C GLN A 18 6.031 2.350 0.172 1.00 0.00 C ATOM 285 O GLN A 18 5.544 3.290 -0.455 1.00 0.00 O ATOM 286 CB GLN A 18 4.223 2.082 1.886 1.00 0.00 C ATOM 287 CG GLN A 18 3.598 0.792 1.384 1.00 0.00 C ATOM 288 CD GLN A 18 2.163 0.979 0.928 1.00 0.00 C ATOM 289 OE1 GLN A 18 1.835 0.752 -0.237 1.00 0.00 O ATOM 290 NE2 GLN A 18 1.300 1.395 1.847 1.00 0.00 N ATOM 0 H GLN A 18 6.027 4.179 2.140 1.00 0.00 H new ATOM 0 HA GLN A 18 6.187 1.225 1.978 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.022 2.182 2.953 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.743 2.926 1.390 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.191 0.403 0.556 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.629 0.045 2.177 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.616 1.571 2.801 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.321 1.539 1.599 1.00 0.00 H new ATOM 299 N GLU A 19 6.845 1.454 -0.385 1.00 0.00 N ATOM 300 CA GLU A 19 7.210 1.537 -1.791 1.00 0.00 C ATOM 301 C GLU A 19 6.288 0.701 -2.657 1.00 0.00 C ATOM 302 O GLU A 19 6.125 -0.497 -2.433 1.00 0.00 O ATOM 303 CB GLU A 19 8.649 1.063 -2.014 1.00 0.00 C ATOM 304 CG GLU A 19 9.083 1.087 -3.471 1.00 0.00 C ATOM 305 CD GLU A 19 10.539 0.705 -3.651 1.00 0.00 C ATOM 306 OE1 GLU A 19 11.416 1.496 -3.243 1.00 0.00 O ATOM 307 OE2 GLU A 19 10.803 -0.384 -4.204 1.00 0.00 O ATOM 0 H GLU A 19 7.260 0.668 0.116 1.00 0.00 H new ATOM 0 HA GLU A 19 7.118 2.585 -2.076 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.323 1.692 -1.433 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.751 0.048 -1.631 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.458 0.402 -4.044 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.920 2.085 -3.879 1.00 0.00 H new ATOM 314 N LEU A 20 5.734 1.330 -3.677 1.00 0.00 N ATOM 315 CA LEU A 20 4.880 0.627 -4.611 1.00 0.00 C ATOM 316 C LEU A 20 5.752 0.158 -5.766 1.00 0.00 C ATOM 317 O LEU A 20 6.336 0.960 -6.494 1.00 0.00 O ATOM 318 CB LEU A 20 3.717 1.511 -5.079 1.00 0.00 C ATOM 319 CG LEU A 20 2.604 1.718 -4.047 1.00 0.00 C ATOM 320 CD1 LEU A 20 1.323 2.179 -4.721 1.00 0.00 C ATOM 321 CD2 LEU A 20 2.350 0.452 -3.244 1.00 0.00 C ATOM 0 H LEU A 20 5.860 2.322 -3.878 1.00 0.00 H new ATOM 0 HA LEU A 20 4.417 -0.235 -4.131 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.113 2.486 -5.364 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.283 1.069 -5.976 1.00 0.00 H new ATOM 0 HG LEU A 20 2.936 2.495 -3.358 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.546 2.320 -3.969 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.503 3.122 -5.238 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.999 1.427 -5.440 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.555 0.633 -2.521 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.052 -0.352 -3.917 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.261 0.166 -2.718 1.00 0.00 H new ATOM 333 N LEU A 21 5.896 -1.152 -5.865 1.00 0.00 N ATOM 334 CA LEU A 21 6.761 -1.765 -6.857 1.00 0.00 C ATOM 335 C LEU A 21 6.290 -1.563 -8.289 1.00 0.00 C ATOM 336 O LEU A 21 5.117 -1.303 -8.548 1.00 0.00 O ATOM 337 CB LEU A 21 6.903 -3.253 -6.544 1.00 0.00 C ATOM 338 CG LEU A 21 8.166 -3.653 -5.752 1.00 0.00 C ATOM 339 CD1 LEU A 21 9.019 -2.439 -5.387 1.00 0.00 C ATOM 340 CD2 LEU A 21 7.783 -4.409 -4.490 1.00 0.00 C ATOM 0 H LEU A 21 5.417 -1.820 -5.261 1.00 0.00 H new ATOM 0 HA LEU A 21 7.728 -1.266 -6.794 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.027 -3.572 -5.980 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.896 -3.805 -7.484 1.00 0.00 H new ATOM 0 HG LEU A 21 8.761 -4.299 -6.398 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.897 -2.766 -4.831 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.335 -1.929 -6.297 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.434 -1.755 -4.772 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.685 -4.684 -3.943 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.157 -3.775 -3.862 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.233 -5.311 -4.759 1.00 0.00 H new ATOM 352 N PRO A 22 7.240 -1.687 -9.241 1.00 0.00 N ATOM 353 CA PRO A 22 6.980 -1.520 -10.676 1.00 0.00 C ATOM 354 C PRO A 22 6.017 -2.561 -11.230 1.00 0.00 C ATOM 355 O PRO A 22 5.429 -2.366 -12.295 1.00 0.00 O ATOM 356 CB PRO A 22 8.364 -1.680 -11.323 1.00 0.00 C ATOM 357 CG PRO A 22 9.339 -1.484 -10.213 1.00 0.00 C ATOM 358 CD PRO A 22 8.656 -2.001 -8.983 1.00 0.00 C ATOM 0 HA PRO A 22 6.506 -0.560 -10.881 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.476 -2.665 -11.776 1.00 0.00 H new ATOM 0 HB3 PRO A 22 8.516 -0.946 -12.115 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.265 -2.026 -10.404 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.602 -0.432 -10.103 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.816 -3.071 -8.851 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.021 -1.511 -8.081 1.00 0.00 H new ATOM 366 N ASN A 23 5.850 -3.665 -10.510 1.00 0.00 N ATOM 367 CA ASN A 23 4.948 -4.719 -10.952 1.00 0.00 C ATOM 368 C ASN A 23 3.575 -4.560 -10.308 1.00 0.00 C ATOM 369 O ASN A 23 2.808 -5.519 -10.213 1.00 0.00 O ATOM 370 CB ASN A 23 5.514 -6.107 -10.632 1.00 0.00 C ATOM 371 CG ASN A 23 7.025 -6.110 -10.449 1.00 0.00 C ATOM 372 OD1 ASN A 23 7.767 -6.481 -11.357 1.00 0.00 O ATOM 373 ND2 ASN A 23 7.488 -5.696 -9.274 1.00 0.00 N ATOM 0 H ASN A 23 6.323 -3.851 -9.626 1.00 0.00 H new ATOM 0 HA ASN A 23 4.846 -4.629 -12.033 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.044 -6.484 -9.724 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.250 -6.794 -11.436 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.493 -5.678 -9.099 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.839 -5.396 -8.547 1.00 0.00 H new ATOM 380 N GLY A 24 3.273 -3.345 -9.857 1.00 0.00 N ATOM 381 CA GLY A 24 1.998 -3.093 -9.220 1.00 0.00 C ATOM 382 C GLY A 24 1.910 -3.769 -7.873 1.00 0.00 C ATOM 383 O GLY A 24 0.967 -4.510 -7.598 1.00 0.00 O ATOM 0 H GLY A 24 3.889 -2.534 -9.922 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.856 -2.019 -9.099 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.193 -3.451 -9.861 1.00 0.00 H new ATOM 387 N ARG A 25 2.909 -3.520 -7.036 1.00 0.00 N ATOM 388 CA ARG A 25 2.954 -4.121 -5.710 1.00 0.00 C ATOM 389 C ARG A 25 3.409 -3.116 -4.670 1.00 0.00 C ATOM 390 O ARG A 25 3.655 -1.956 -4.990 1.00 0.00 O ATOM 391 CB ARG A 25 3.870 -5.339 -5.723 1.00 0.00 C ATOM 392 CG ARG A 25 3.457 -6.357 -6.763 1.00 0.00 C ATOM 393 CD ARG A 25 2.108 -6.975 -6.422 1.00 0.00 C ATOM 394 NE ARG A 25 1.573 -7.764 -7.532 1.00 0.00 N ATOM 395 CZ ARG A 25 1.117 -9.011 -7.415 1.00 0.00 C ATOM 396 NH1 ARG A 25 1.123 -9.629 -6.240 1.00 0.00 N ATOM 397 NH2 ARG A 25 0.651 -9.646 -8.483 1.00 0.00 N ATOM 0 H ARG A 25 3.696 -2.908 -7.251 1.00 0.00 H new ATOM 0 HA ARG A 25 1.947 -4.441 -5.441 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.894 -5.019 -5.918 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.864 -5.806 -4.738 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.405 -5.880 -7.742 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.212 -7.140 -6.830 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.212 -7.610 -5.542 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.402 -6.186 -6.164 1.00 0.00 H new ATOM 0 HE ARG A 25 1.547 -7.332 -8.455 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.479 -9.149 -5.413 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.771 -10.583 -6.164 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.642 -9.180 -9.390 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.301 -10.600 -8.397 1.00 0.00 H new ATOM 411 N TYR A 26 3.487 -3.551 -3.416 1.00 0.00 N ATOM 412 CA TYR A 26 3.875 -2.651 -2.340 1.00 0.00 C ATOM 413 C TYR A 26 4.831 -3.304 -1.347 1.00 0.00 C ATOM 414 O TYR A 26 4.830 -4.520 -1.159 1.00 0.00 O ATOM 415 CB TYR A 26 2.617 -2.131 -1.642 1.00 0.00 C ATOM 416 CG TYR A 26 2.169 -2.936 -0.450 1.00 0.00 C ATOM 417 CD1 TYR A 26 2.879 -2.906 0.737 1.00 0.00 C ATOM 418 CD2 TYR A 26 1.024 -3.713 -0.517 1.00 0.00 C ATOM 419 CE1 TYR A 26 2.462 -3.633 1.834 1.00 0.00 C ATOM 420 CE2 TYR A 26 0.598 -4.447 0.571 1.00 0.00 C ATOM 421 CZ TYR A 26 1.320 -4.404 1.745 1.00 0.00 C ATOM 422 OH TYR A 26 0.898 -5.132 2.836 1.00 0.00 O ATOM 0 H TYR A 26 3.289 -4.508 -3.124 1.00 0.00 H new ATOM 0 HA TYR A 26 4.422 -1.815 -2.776 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.796 -1.105 -1.321 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.804 -2.101 -2.367 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.773 -2.305 0.807 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.456 -3.745 -1.435 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.025 -3.599 2.755 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.295 -5.051 0.504 1.00 0.00 H new ATOM 0 HH TYR A 26 0.009 -5.503 2.658 1.00 0.00 H new ATOM 432 N ASP A 27 5.639 -2.460 -0.710 1.00 0.00 N ATOM 433 CA ASP A 27 6.612 -2.897 0.281 1.00 0.00 C ATOM 434 C ASP A 27 6.863 -1.770 1.275 1.00 0.00 C ATOM 435 O ASP A 27 7.425 -0.736 0.916 1.00 0.00 O ATOM 436 CB ASP A 27 7.924 -3.293 -0.399 1.00 0.00 C ATOM 437 CG ASP A 27 8.189 -4.784 -0.323 1.00 0.00 C ATOM 438 OD1 ASP A 27 7.689 -5.521 -1.197 1.00 0.00 O ATOM 439 OD2 ASP A 27 8.898 -5.214 0.612 1.00 0.00 O ATOM 0 H ASP A 27 5.635 -1.452 -0.869 1.00 0.00 H new ATOM 0 HA ASP A 27 6.218 -3.766 0.807 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.895 -2.985 -1.444 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.749 -2.756 0.069 1.00 0.00 H new ATOM 444 N GLU A 28 6.432 -1.958 2.516 1.00 0.00 N ATOM 445 CA GLU A 28 6.607 -0.927 3.529 1.00 0.00 C ATOM 446 C GLU A 28 7.753 -1.251 4.480 1.00 0.00 C ATOM 447 O GLU A 28 7.844 -2.354 5.020 1.00 0.00 O ATOM 448 CB GLU A 28 5.290 -0.705 4.294 1.00 0.00 C ATOM 449 CG GLU A 28 5.461 -0.348 5.767 1.00 0.00 C ATOM 450 CD GLU A 28 4.161 -0.444 6.541 1.00 0.00 C ATOM 451 OE1 GLU A 28 3.256 0.378 6.287 1.00 0.00 O ATOM 452 OE2 GLU A 28 4.050 -1.340 7.404 1.00 0.00 O ATOM 0 H GLU A 28 5.965 -2.804 2.842 1.00 0.00 H new ATOM 0 HA GLU A 28 6.874 -0.000 3.021 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.731 0.092 3.804 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.686 -1.610 4.221 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.198 -1.014 6.216 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.855 0.665 5.849 1.00 0.00 H new ATOM 459 N ALA A 29 8.614 -0.260 4.685 1.00 0.00 N ATOM 460 CA ALA A 29 9.753 -0.396 5.578 1.00 0.00 C ATOM 461 C ALA A 29 9.658 0.620 6.707 1.00 0.00 C ATOM 462 O ALA A 29 9.888 1.812 6.504 1.00 0.00 O ATOM 463 CB ALA A 29 11.051 -0.212 4.806 1.00 0.00 C ATOM 0 H ALA A 29 8.541 0.654 4.238 1.00 0.00 H new ATOM 0 HA ALA A 29 9.745 -1.397 6.009 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.897 -0.316 5.486 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.119 -0.968 4.024 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.068 0.780 4.355 1.00 0.00 H new ATOM 469 N ARG A 30 9.304 0.146 7.894 1.00 0.00 N ATOM 470 CA ARG A 30 9.165 1.018 9.053 1.00 0.00 C ATOM 471 C ARG A 30 10.420 0.986 9.919 1.00 0.00 C ATOM 472 O ARG A 30 11.119 -0.026 9.985 1.00 0.00 O ATOM 473 CB ARG A 30 7.943 0.604 9.876 1.00 0.00 C ATOM 474 CG ARG A 30 6.727 0.268 9.027 1.00 0.00 C ATOM 475 CD ARG A 30 5.433 0.651 9.727 1.00 0.00 C ATOM 476 NE ARG A 30 4.804 -0.495 10.379 1.00 0.00 N ATOM 477 CZ ARG A 30 3.526 -0.525 10.752 1.00 0.00 C ATOM 478 NH1 ARG A 30 2.739 0.522 10.538 1.00 0.00 N ATOM 479 NH2 ARG A 30 3.034 -1.606 11.341 1.00 0.00 N ATOM 0 H ARG A 30 9.108 -0.838 8.080 1.00 0.00 H new ATOM 0 HA ARG A 30 9.028 2.039 8.697 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.201 -0.262 10.486 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.686 1.411 10.562 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.793 0.790 8.073 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.720 -0.799 8.807 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.637 1.423 10.469 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.742 1.080 9.002 1.00 0.00 H new ATOM 0 HE ARG A 30 5.377 -1.320 10.559 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.112 1.356 10.085 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.761 0.492 10.826 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.634 -2.414 11.508 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.055 -1.630 11.627 1.00 0.00 H new ATOM 571 N ALA A 36 8.459 -5.013 6.842 1.00 0.00 N ATOM 572 CA ALA A 36 7.407 -5.420 7.762 1.00 0.00 C ATOM 573 C ALA A 36 6.281 -6.151 7.037 1.00 0.00 C ATOM 574 O ALA A 36 5.869 -7.237 7.445 1.00 0.00 O ATOM 575 CB ALA A 36 6.863 -4.204 8.497 1.00 0.00 C ATOM 0 HA ALA A 36 7.838 -6.114 8.484 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.076 -4.516 9.184 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.667 -3.728 9.058 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.455 -3.495 7.776 1.00 0.00 H new ATOM 581 N TYR A 37 5.781 -5.544 5.968 1.00 0.00 N ATOM 582 CA TYR A 37 4.694 -6.131 5.194 1.00 0.00 C ATOM 583 C TYR A 37 4.768 -5.733 3.722 1.00 0.00 C ATOM 584 O TYR A 37 5.206 -4.636 3.379 1.00 0.00 O ATOM 585 CB TYR A 37 3.346 -5.704 5.777 1.00 0.00 C ATOM 586 CG TYR A 37 2.527 -6.859 6.296 1.00 0.00 C ATOM 587 CD1 TYR A 37 2.873 -7.499 7.476 1.00 0.00 C ATOM 588 CD2 TYR A 37 1.411 -7.312 5.603 1.00 0.00 C ATOM 589 CE1 TYR A 37 2.128 -8.561 7.957 1.00 0.00 C ATOM 590 CE2 TYR A 37 0.662 -8.373 6.074 1.00 0.00 C ATOM 591 CZ TYR A 37 1.025 -8.994 7.251 1.00 0.00 C ATOM 592 OH TYR A 37 0.282 -10.051 7.726 1.00 0.00 O ATOM 0 H TYR A 37 6.111 -4.645 5.617 1.00 0.00 H new ATOM 0 HA TYR A 37 4.794 -7.215 5.254 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.517 -4.996 6.588 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.776 -5.179 5.010 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.738 -7.163 8.029 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.125 -6.827 4.682 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.408 -9.048 8.879 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.203 -8.714 5.524 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.427 -9.715 8.313 1.00 0.00 H new ATOM 602 N GLN A 38 4.316 -6.640 2.861 1.00 0.00 N ATOM 603 CA GLN A 38 4.298 -6.411 1.418 1.00 0.00 C ATOM 604 C GLN A 38 3.235 -7.288 0.774 1.00 0.00 C ATOM 605 O GLN A 38 2.942 -8.378 1.265 1.00 0.00 O ATOM 606 CB GLN A 38 5.663 -6.707 0.781 1.00 0.00 C ATOM 607 CG GLN A 38 6.787 -6.958 1.776 1.00 0.00 C ATOM 608 CD GLN A 38 6.604 -8.248 2.554 1.00 0.00 C ATOM 609 OE1 GLN A 38 5.610 -8.953 2.382 1.00 0.00 O ATOM 610 NE2 GLN A 38 7.564 -8.562 3.415 1.00 0.00 N ATOM 0 H GLN A 38 3.953 -7.551 3.141 1.00 0.00 H new ATOM 0 HA GLN A 38 4.068 -5.359 1.248 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.566 -7.580 0.135 1.00 0.00 H new ATOM 0 HB3 GLN A 38 5.941 -5.868 0.143 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.737 -6.992 1.243 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.842 -6.122 2.474 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.371 -7.948 3.525 1.00 0.00 H new ATOM 0 HE22 GLN A 38 7.495 -9.417 3.966 1.00 0.00 H new ATOM 619 N GLY A 39 2.654 -6.817 -0.324 1.00 0.00 N ATOM 620 CA GLY A 39 1.628 -7.601 -0.986 1.00 0.00 C ATOM 621 C GLY A 39 1.234 -7.044 -2.337 1.00 0.00 C ATOM 622 O GLY A 39 2.075 -6.881 -3.220 1.00 0.00 O ATOM 0 H GLY A 39 2.870 -5.921 -0.762 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.985 -8.623 -1.111 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.746 -7.647 -0.347 1.00 0.00 H new ATOM 626 N ARG A 40 -0.052 -6.756 -2.495 1.00 0.00 N ATOM 627 CA ARG A 40 -0.566 -6.218 -3.740 1.00 0.00 C ATOM 628 C ARG A 40 -1.825 -5.416 -3.469 1.00 0.00 C ATOM 629 O ARG A 40 -2.419 -5.531 -2.396 1.00 0.00 O ATOM 630 CB ARG A 40 -0.858 -7.348 -4.730 1.00 0.00 C ATOM 631 CG ARG A 40 -2.025 -8.233 -4.322 1.00 0.00 C ATOM 632 CD ARG A 40 -1.734 -9.700 -4.596 1.00 0.00 C ATOM 633 NE ARG A 40 -2.137 -10.097 -5.943 1.00 0.00 N ATOM 634 CZ ARG A 40 -2.098 -11.351 -6.390 1.00 0.00 C ATOM 635 NH1 ARG A 40 -1.677 -12.331 -5.600 1.00 0.00 N ATOM 636 NH2 ARG A 40 -2.482 -11.624 -7.629 1.00 0.00 N ATOM 0 H ARG A 40 -0.758 -6.888 -1.771 1.00 0.00 H new ATOM 0 HA ARG A 40 0.186 -5.563 -4.180 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.066 -6.916 -5.709 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.034 -7.965 -4.837 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.235 -8.094 -3.261 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.920 -7.931 -4.866 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.668 -9.888 -4.466 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.258 -10.316 -3.865 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.468 -9.371 -6.579 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.381 -12.125 -4.646 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.649 -13.290 -5.947 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.807 -10.874 -8.239 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.452 -12.584 -7.972 1.00 0.00 H new ATOM 650 N TYR A 41 -2.229 -4.597 -4.424 1.00 0.00 N ATOM 651 CA TYR A 41 -3.416 -3.783 -4.243 1.00 0.00 C ATOM 652 C TYR A 41 -4.284 -3.741 -5.487 1.00 0.00 C ATOM 653 O TYR A 41 -3.811 -3.925 -6.609 1.00 0.00 O ATOM 654 CB TYR A 41 -3.027 -2.359 -3.859 1.00 0.00 C ATOM 655 CG TYR A 41 -1.857 -1.821 -4.647 1.00 0.00 C ATOM 656 CD1 TYR A 41 -0.556 -2.056 -4.232 1.00 0.00 C ATOM 657 CD2 TYR A 41 -2.056 -1.080 -5.807 1.00 0.00 C ATOM 658 CE1 TYR A 41 0.517 -1.567 -4.948 1.00 0.00 C ATOM 659 CE2 TYR A 41 -0.986 -0.589 -6.530 1.00 0.00 C ATOM 660 CZ TYR A 41 0.298 -0.836 -6.096 1.00 0.00 C ATOM 661 OH TYR A 41 1.368 -0.349 -6.813 1.00 0.00 O ATOM 0 H TYR A 41 -1.759 -4.479 -5.322 1.00 0.00 H new ATOM 0 HA TYR A 41 -3.995 -4.245 -3.443 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.886 -1.704 -4.006 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.783 -2.331 -2.797 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -0.379 -2.631 -3.335 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.062 -0.885 -6.148 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.525 -1.756 -4.610 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -1.155 -0.015 -7.429 1.00 0.00 H new ATOM 0 HH TYR A 41 1.930 -1.095 -7.109 1.00 0.00 H new ATOM 671 N GLU A 42 -5.558 -3.456 -5.267 1.00 0.00 N ATOM 672 CA GLU A 42 -6.524 -3.336 -6.346 1.00 0.00 C ATOM 673 C GLU A 42 -7.128 -1.940 -6.308 1.00 0.00 C ATOM 674 O GLU A 42 -7.595 -1.495 -5.264 1.00 0.00 O ATOM 675 CB GLU A 42 -7.620 -4.397 -6.212 1.00 0.00 C ATOM 676 CG GLU A 42 -7.877 -5.170 -7.496 1.00 0.00 C ATOM 677 CD GLU A 42 -8.886 -6.286 -7.313 1.00 0.00 C ATOM 678 OE1 GLU A 42 -8.617 -7.204 -6.510 1.00 0.00 O ATOM 679 OE2 GLU A 42 -9.946 -6.241 -7.973 1.00 0.00 O ATOM 0 H GLU A 42 -5.950 -3.302 -4.338 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.024 -3.495 -7.301 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.342 -5.098 -5.425 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.545 -3.914 -5.897 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.235 -4.484 -8.263 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.938 -5.590 -7.857 1.00 0.00 H new ATOM 686 N VAL A 43 -7.093 -1.242 -7.433 1.00 0.00 N ATOM 687 CA VAL A 43 -7.614 0.119 -7.490 1.00 0.00 C ATOM 688 C VAL A 43 -8.956 0.193 -8.209 1.00 0.00 C ATOM 689 O VAL A 43 -9.126 -0.353 -9.299 1.00 0.00 O ATOM 690 CB VAL A 43 -6.600 1.061 -8.174 1.00 0.00 C ATOM 691 CG1 VAL A 43 -7.187 2.452 -8.371 1.00 0.00 C ATOM 692 CG2 VAL A 43 -5.316 1.127 -7.357 1.00 0.00 C ATOM 0 H VAL A 43 -6.713 -1.590 -8.313 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.771 0.442 -6.461 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.369 0.659 -9.160 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.450 3.093 -8.855 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.077 2.386 -8.997 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.455 2.874 -7.403 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.607 1.794 -7.847 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.539 1.505 -6.359 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.883 0.130 -7.279 1.00 0.00 H new ATOM 702 N ARG A 44 -9.904 0.885 -7.581 1.00 0.00 N ATOM 703 CA ARG A 44 -11.239 1.053 -8.141 1.00 0.00 C ATOM 704 C ARG A 44 -11.778 2.450 -7.839 1.00 0.00 C ATOM 705 O ARG A 44 -12.237 2.718 -6.728 1.00 0.00 O ATOM 706 CB ARG A 44 -12.190 0.000 -7.572 1.00 0.00 C ATOM 707 CG ARG A 44 -11.743 -1.428 -7.835 1.00 0.00 C ATOM 708 CD ARG A 44 -11.819 -1.774 -9.314 1.00 0.00 C ATOM 709 NE ARG A 44 -12.401 -3.096 -9.538 1.00 0.00 N ATOM 710 CZ ARG A 44 -13.707 -3.347 -9.493 1.00 0.00 C ATOM 711 NH1 ARG A 44 -14.569 -2.374 -9.230 1.00 0.00 N ATOM 712 NH2 ARG A 44 -14.152 -4.578 -9.709 1.00 0.00 N ATOM 0 H ARG A 44 -9.769 1.340 -6.678 1.00 0.00 H new ATOM 0 HA ARG A 44 -11.172 0.928 -9.222 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -12.284 0.150 -6.497 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -13.181 0.147 -8.002 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -10.720 -1.561 -7.482 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -12.369 -2.116 -7.267 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -12.415 -1.023 -9.832 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -10.819 -1.740 -9.746 1.00 0.00 H new ATOM 0 HE ARG A 44 -11.769 -3.871 -9.741 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -14.232 -1.426 -9.061 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -15.569 -2.573 -9.197 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -13.493 -5.331 -9.909 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -15.153 -4.772 -9.675 1.00 0.00 H new ATOM 726 N GLY A 45 -11.721 3.335 -8.829 1.00 0.00 N ATOM 727 CA GLY A 45 -12.205 4.691 -8.636 1.00 0.00 C ATOM 728 C GLY A 45 -11.501 5.399 -7.495 1.00 0.00 C ATOM 729 O GLY A 45 -12.137 6.077 -6.688 1.00 0.00 O ATOM 0 H GLY A 45 -11.350 3.139 -9.759 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.063 5.259 -9.555 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -13.277 4.667 -8.439 1.00 0.00 H new ATOM 733 N ALA A 46 -10.179 5.233 -7.426 1.00 0.00 N ATOM 734 CA ALA A 46 -9.365 5.847 -6.379 1.00 0.00 C ATOM 735 C ALA A 46 -9.403 5.034 -5.084 1.00 0.00 C ATOM 736 O ALA A 46 -8.665 5.324 -4.143 1.00 0.00 O ATOM 737 CB ALA A 46 -9.795 7.284 -6.118 1.00 0.00 C ATOM 0 H ALA A 46 -9.646 4.672 -8.091 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.336 5.856 -6.738 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.171 7.714 -5.334 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.684 7.868 -7.031 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.838 7.300 -5.801 1.00 0.00 H new ATOM 743 N HIS A 47 -10.250 4.007 -5.044 1.00 0.00 N ATOM 744 CA HIS A 47 -10.351 3.154 -3.866 1.00 0.00 C ATOM 745 C HIS A 47 -9.439 1.948 -4.035 1.00 0.00 C ATOM 746 O HIS A 47 -9.511 1.249 -5.045 1.00 0.00 O ATOM 747 CB HIS A 47 -11.798 2.699 -3.657 1.00 0.00 C ATOM 748 CG HIS A 47 -12.430 3.267 -2.424 1.00 0.00 C ATOM 749 ND1 HIS A 47 -12.871 2.486 -1.376 1.00 0.00 N ATOM 750 CD2 HIS A 47 -12.694 4.547 -2.072 1.00 0.00 C ATOM 751 CE1 HIS A 47 -13.381 3.261 -0.435 1.00 0.00 C ATOM 752 NE2 HIS A 47 -13.285 4.515 -0.833 1.00 0.00 N ATOM 0 H HIS A 47 -10.872 3.748 -5.810 1.00 0.00 H new ATOM 0 HA HIS A 47 -10.041 3.720 -2.988 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -12.390 2.988 -4.525 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -11.824 1.611 -3.601 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -12.480 5.429 -2.657 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -13.804 2.925 0.500 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -13.599 5.330 -0.305 1.00 0.00 H new ATOM 761 N ILE A 48 -8.564 1.716 -3.064 1.00 0.00 N ATOM 762 CA ILE A 48 -7.634 0.600 -3.155 1.00 0.00 C ATOM 763 C ILE A 48 -7.553 -0.184 -1.854 1.00 0.00 C ATOM 764 O ILE A 48 -7.681 0.370 -0.767 1.00 0.00 O ATOM 765 CB ILE A 48 -6.216 1.077 -3.571 1.00 0.00 C ATOM 766 CG1 ILE A 48 -5.112 0.164 -3.000 1.00 0.00 C ATOM 767 CG2 ILE A 48 -5.987 2.523 -3.150 1.00 0.00 C ATOM 768 CD1 ILE A 48 -4.610 0.570 -1.626 1.00 0.00 C ATOM 0 H ILE A 48 -8.480 2.277 -2.217 1.00 0.00 H new ATOM 0 HA ILE A 48 -8.023 -0.064 -3.927 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.160 1.018 -4.658 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.492 -0.856 -2.947 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.271 0.155 -3.693 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.987 2.836 -3.452 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.728 3.163 -3.629 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.082 2.606 -2.067 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.836 -0.126 -1.301 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.196 1.577 -1.673 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.437 0.550 -0.916 1.00 0.00 H new ATOM 780 N ASN A 49 -7.311 -1.481 -1.991 1.00 0.00 N ATOM 781 CA ASN A 49 -7.178 -2.369 -0.848 1.00 0.00 C ATOM 782 C ASN A 49 -5.950 -3.257 -1.019 1.00 0.00 C ATOM 783 O ASN A 49 -5.633 -3.684 -2.129 1.00 0.00 O ATOM 784 CB ASN A 49 -8.431 -3.234 -0.672 1.00 0.00 C ATOM 785 CG ASN A 49 -9.611 -2.747 -1.494 1.00 0.00 C ATOM 786 OD1 ASN A 49 -10.149 -3.480 -2.324 1.00 0.00 O ATOM 787 ND2 ASN A 49 -10.019 -1.504 -1.267 1.00 0.00 N ATOM 0 H ASN A 49 -7.202 -1.944 -2.894 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.060 -1.758 0.047 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.199 -4.261 -0.954 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.711 -3.248 0.381 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.807 -1.122 -1.790 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.544 -0.931 -0.570 1.00 0.00 H new ATOM 794 N TYR A 50 -5.266 -3.529 0.082 1.00 0.00 N ATOM 795 CA TYR A 50 -4.074 -4.364 0.064 1.00 0.00 C ATOM 796 C TYR A 50 -4.423 -5.774 0.503 1.00 0.00 C ATOM 797 O TYR A 50 -4.782 -5.992 1.655 1.00 0.00 O ATOM 798 CB TYR A 50 -3.021 -3.798 1.019 1.00 0.00 C ATOM 799 CG TYR A 50 -2.389 -2.500 0.565 1.00 0.00 C ATOM 800 CD1 TYR A 50 -1.673 -2.426 -0.623 1.00 0.00 C ATOM 801 CD2 TYR A 50 -2.507 -1.345 1.333 1.00 0.00 C ATOM 802 CE1 TYR A 50 -1.093 -1.240 -1.034 1.00 0.00 C ATOM 803 CE2 TYR A 50 -1.929 -0.158 0.928 1.00 0.00 C ATOM 804 CZ TYR A 50 -1.224 -0.111 -0.255 1.00 0.00 C ATOM 805 OH TYR A 50 -0.647 1.071 -0.660 1.00 0.00 O ATOM 0 H TYR A 50 -5.519 -3.180 1.007 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.678 -4.380 -0.952 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.482 -3.641 1.994 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.235 -4.541 1.154 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.568 -3.309 -1.236 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.059 -1.378 2.260 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.540 -1.199 -1.961 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -2.029 0.729 1.536 1.00 0.00 H new ATOM 0 HH TYR A 50 0.304 0.924 -0.847 1.00 0.00 H new ATOM 815 N TRP A 51 -4.307 -6.731 -0.404 1.00 0.00 N ATOM 816 CA TRP A 51 -4.604 -8.115 -0.072 1.00 0.00 C ATOM 817 C TRP A 51 -3.317 -8.927 -0.027 1.00 0.00 C ATOM 818 O TRP A 51 -2.876 -9.473 -1.039 1.00 0.00 O ATOM 819 CB TRP A 51 -5.588 -8.717 -1.080 1.00 0.00 C ATOM 820 CG TRP A 51 -5.810 -10.189 -0.896 1.00 0.00 C ATOM 821 CD1 TRP A 51 -6.511 -10.794 0.106 1.00 0.00 C ATOM 822 CD2 TRP A 51 -5.326 -11.240 -1.740 1.00 0.00 C ATOM 823 NE1 TRP A 51 -6.492 -12.157 -0.061 1.00 0.00 N ATOM 824 CE2 TRP A 51 -5.772 -12.457 -1.189 1.00 0.00 C ATOM 825 CE3 TRP A 51 -4.560 -11.272 -2.909 1.00 0.00 C ATOM 826 CZ2 TRP A 51 -5.476 -13.689 -1.766 1.00 0.00 C ATOM 827 CZ3 TRP A 51 -4.268 -12.496 -3.481 1.00 0.00 C ATOM 828 CH2 TRP A 51 -4.726 -13.690 -2.909 1.00 0.00 C ATOM 0 H TRP A 51 -4.012 -6.577 -1.368 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.072 -8.144 0.912 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -6.544 -8.200 -0.995 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -5.217 -8.537 -2.089 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -7.008 -10.276 0.913 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -6.941 -12.836 0.554 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -4.203 -10.357 -3.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -5.826 -14.611 -1.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -3.677 -12.532 -4.384 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -4.482 -14.630 -3.381 1.00 0.00 H new ATOM 839 N ASP A 52 -2.706 -8.982 1.151 1.00 0.00 N ATOM 840 CA ASP A 52 -1.454 -9.709 1.329 1.00 0.00 C ATOM 841 C ASP A 52 -1.641 -11.205 1.131 1.00 0.00 C ATOM 842 O ASP A 52 -2.747 -11.731 1.260 1.00 0.00 O ATOM 843 CB ASP A 52 -0.869 -9.450 2.716 1.00 0.00 C ATOM 844 CG ASP A 52 -0.079 -8.157 2.777 1.00 0.00 C ATOM 845 OD1 ASP A 52 -0.687 -7.078 2.617 1.00 0.00 O ATOM 846 OD2 ASP A 52 1.152 -8.224 2.981 1.00 0.00 O ATOM 0 H ASP A 52 -3.057 -8.532 1.997 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.762 -9.344 0.570 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.677 -9.414 3.447 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.222 -10.282 2.996 1.00 0.00 H new ATOM 851 N ASP A 53 -0.544 -11.885 0.824 1.00 0.00 N ATOM 852 CA ASP A 53 -0.565 -13.325 0.615 1.00 0.00 C ATOM 853 C ASP A 53 -0.437 -14.077 1.940 1.00 0.00 C ATOM 854 O ASP A 53 -0.660 -15.286 1.998 1.00 0.00 O ATOM 855 CB ASP A 53 0.564 -13.741 -0.331 1.00 0.00 C ATOM 856 CG ASP A 53 0.247 -13.433 -1.781 1.00 0.00 C ATOM 857 OD1 ASP A 53 -0.810 -13.887 -2.266 1.00 0.00 O ATOM 858 OD2 ASP A 53 1.056 -12.739 -2.432 1.00 0.00 O ATOM 0 H ASP A 53 0.376 -11.459 0.714 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.523 -13.584 0.165 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.482 -13.226 -0.045 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.750 -14.809 -0.222 1.00 0.00 H new ATOM 863 N THR A 54 -0.071 -13.361 3.004 1.00 0.00 N ATOM 864 CA THR A 54 0.089 -13.978 4.317 1.00 0.00 C ATOM 865 C THR A 54 -1.201 -13.908 5.136 1.00 0.00 C ATOM 866 O THR A 54 -1.173 -13.975 6.365 1.00 0.00 O ATOM 867 CB THR A 54 1.244 -13.328 5.081 1.00 0.00 C ATOM 868 OG1 THR A 54 1.255 -13.749 6.433 1.00 0.00 O ATOM 869 CG2 THR A 54 1.198 -11.817 5.071 1.00 0.00 C ATOM 0 H THR A 54 0.119 -12.359 2.981 1.00 0.00 H new ATOM 0 HA THR A 54 0.322 -15.031 4.158 1.00 0.00 H new ATOM 0 HB THR A 54 2.146 -13.650 4.561 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.404 -13.511 6.857 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.046 -11.423 5.631 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.244 -11.458 4.043 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.270 -11.478 5.532 1.00 0.00 H new ATOM 877 N GLY A 55 -2.327 -13.810 4.443 1.00 0.00 N ATOM 878 CA GLY A 55 -3.616 -13.774 5.111 1.00 0.00 C ATOM 879 C GLY A 55 -3.986 -12.422 5.702 1.00 0.00 C ATOM 880 O GLY A 55 -4.755 -12.364 6.663 1.00 0.00 O ATOM 0 H GLY A 55 -2.372 -13.754 3.426 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.387 -14.068 4.399 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.618 -14.517 5.908 1.00 0.00 H new ATOM 884 N PHE A 56 -3.471 -11.332 5.139 1.00 0.00 N ATOM 885 CA PHE A 56 -3.797 -10.008 5.640 1.00 0.00 C ATOM 886 C PHE A 56 -4.450 -9.187 4.540 1.00 0.00 C ATOM 887 O PHE A 56 -4.352 -9.517 3.360 1.00 0.00 O ATOM 888 CB PHE A 56 -2.533 -9.302 6.162 1.00 0.00 C ATOM 889 CG PHE A 56 -2.496 -7.804 5.939 1.00 0.00 C ATOM 890 CD1 PHE A 56 -2.495 -7.273 4.655 1.00 0.00 C ATOM 891 CD2 PHE A 56 -2.468 -6.935 7.017 1.00 0.00 C ATOM 892 CE1 PHE A 56 -2.471 -5.904 4.453 1.00 0.00 C ATOM 893 CE2 PHE A 56 -2.442 -5.566 6.821 1.00 0.00 C ATOM 894 CZ PHE A 56 -2.445 -5.051 5.537 1.00 0.00 C ATOM 0 H PHE A 56 -2.833 -11.342 4.343 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.497 -10.107 6.469 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.442 -9.497 7.230 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -1.662 -9.747 5.681 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.513 -7.937 3.804 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.466 -7.331 8.022 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.473 -5.505 3.450 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.419 -4.899 7.670 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.427 -3.982 5.383 1.00 0.00 H new ATOM 904 N THR A 57 -5.085 -8.099 4.938 1.00 0.00 N ATOM 905 CA THR A 57 -5.717 -7.203 3.986 1.00 0.00 C ATOM 906 C THR A 57 -5.971 -5.835 4.605 1.00 0.00 C ATOM 907 O THR A 57 -6.303 -5.727 5.785 1.00 0.00 O ATOM 908 CB THR A 57 -7.020 -7.785 3.423 1.00 0.00 C ATOM 909 OG1 THR A 57 -8.143 -7.025 3.841 1.00 0.00 O ATOM 910 CG2 THR A 57 -7.282 -9.229 3.808 1.00 0.00 C ATOM 0 H THR A 57 -5.177 -7.815 5.913 1.00 0.00 H new ATOM 0 HA THR A 57 -5.022 -7.086 3.154 1.00 0.00 H new ATOM 0 HB THR A 57 -6.885 -7.742 2.342 1.00 0.00 H new ATOM 0 HG1 THR A 57 -8.960 -7.416 3.467 1.00 0.00 H new ATOM 0 HG21 THR A 57 -8.223 -9.558 3.367 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.470 -9.857 3.441 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.341 -9.311 4.893 1.00 0.00 H new ATOM 918 N ALA A 58 -5.805 -4.795 3.798 1.00 0.00 N ATOM 919 CA ALA A 58 -6.014 -3.426 4.266 1.00 0.00 C ATOM 920 C ALA A 58 -6.636 -2.553 3.183 1.00 0.00 C ATOM 921 O ALA A 58 -6.078 -2.399 2.101 1.00 0.00 O ATOM 922 CB ALA A 58 -4.698 -2.826 4.737 1.00 0.00 C ATOM 0 H ALA A 58 -5.527 -4.870 2.819 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.711 -3.462 5.104 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.866 -1.806 5.083 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.297 -3.425 5.554 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.986 -2.816 3.911 1.00 0.00 H new ATOM 928 N ASP A 59 -7.796 -1.977 3.480 1.00 0.00 N ATOM 929 CA ASP A 59 -8.492 -1.122 2.522 1.00 0.00 C ATOM 930 C ASP A 59 -8.046 0.333 2.642 1.00 0.00 C ATOM 931 O ASP A 59 -7.580 0.770 3.694 1.00 0.00 O ATOM 932 CB ASP A 59 -10.005 -1.220 2.728 1.00 0.00 C ATOM 933 CG ASP A 59 -10.788 -0.680 1.548 1.00 0.00 C ATOM 934 OD1 ASP A 59 -10.715 0.542 1.297 1.00 0.00 O ATOM 935 OD2 ASP A 59 -11.475 -1.476 0.876 1.00 0.00 O ATOM 0 H ASP A 59 -8.274 -2.086 4.374 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.239 -1.472 1.521 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -10.279 -2.262 2.895 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.282 -0.669 3.627 1.00 0.00 H new ATOM 940 N GLY A 60 -8.196 1.078 1.548 1.00 0.00 N ATOM 941 CA GLY A 60 -7.812 2.478 1.533 1.00 0.00 C ATOM 942 C GLY A 60 -8.467 3.236 0.394 1.00 0.00 C ATOM 943 O GLY A 60 -9.337 2.702 -0.292 1.00 0.00 O ATOM 0 H GLY A 60 -8.579 0.733 0.668 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.088 2.939 2.481 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.728 2.556 1.444 1.00 0.00 H new ATOM 947 N ASP A 61 -8.052 4.483 0.189 1.00 0.00 N ATOM 948 CA ASP A 61 -8.613 5.305 -0.878 1.00 0.00 C ATOM 949 C ASP A 61 -7.785 6.568 -1.093 1.00 0.00 C ATOM 950 O ASP A 61 -7.422 7.253 -0.139 1.00 0.00 O ATOM 951 CB ASP A 61 -10.059 5.681 -0.553 1.00 0.00 C ATOM 952 CG ASP A 61 -10.204 6.267 0.837 1.00 0.00 C ATOM 953 OD1 ASP A 61 -10.325 5.484 1.803 1.00 0.00 O ATOM 954 OD2 ASP A 61 -10.198 7.510 0.962 1.00 0.00 O ATOM 0 H ASP A 61 -7.332 4.945 0.745 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.592 4.720 -1.798 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.418 6.402 -1.288 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.690 4.796 -0.639 1.00 0.00 H new ATOM 959 N PHE A 62 -7.497 6.871 -2.355 1.00 0.00 N ATOM 960 CA PHE A 62 -6.720 8.055 -2.698 1.00 0.00 C ATOM 961 C PHE A 62 -7.564 9.314 -2.572 1.00 0.00 C ATOM 962 O PHE A 62 -8.472 9.551 -3.368 1.00 0.00 O ATOM 963 CB PHE A 62 -6.175 7.964 -4.125 1.00 0.00 C ATOM 964 CG PHE A 62 -5.391 6.713 -4.433 1.00 0.00 C ATOM 965 CD1 PHE A 62 -4.853 5.927 -3.423 1.00 0.00 C ATOM 966 CD2 PHE A 62 -5.185 6.332 -5.750 1.00 0.00 C ATOM 967 CE1 PHE A 62 -4.130 4.788 -3.723 1.00 0.00 C ATOM 968 CE2 PHE A 62 -4.461 5.196 -6.055 1.00 0.00 C ATOM 969 CZ PHE A 62 -3.934 4.422 -5.041 1.00 0.00 C ATOM 0 H PHE A 62 -7.790 6.312 -3.156 1.00 0.00 H new ATOM 0 HA PHE A 62 -5.886 8.105 -1.998 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -7.011 8.031 -4.821 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.537 8.828 -4.309 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -5.001 6.209 -2.391 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.596 6.932 -6.548 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -3.718 4.184 -2.928 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -4.307 4.914 -7.086 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.370 3.532 -5.277 1.00 0.00 H new ATOM 979 N VAL A 63 -7.247 10.124 -1.575 1.00 0.00 N ATOM 980 CA VAL A 63 -7.965 11.374 -1.350 1.00 0.00 C ATOM 981 C VAL A 63 -7.415 12.485 -2.240 1.00 0.00 C ATOM 982 O VAL A 63 -8.075 13.502 -2.458 1.00 0.00 O ATOM 983 CB VAL A 63 -7.889 11.827 0.121 1.00 0.00 C ATOM 984 CG1 VAL A 63 -8.890 11.058 0.969 1.00 0.00 C ATOM 985 CG2 VAL A 63 -6.478 11.664 0.667 1.00 0.00 C ATOM 0 H VAL A 63 -6.498 9.941 -0.907 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.008 11.183 -1.601 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.145 12.885 0.165 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.822 11.391 2.004 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.898 11.239 0.595 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.669 9.992 0.916 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.450 11.990 1.707 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.184 10.616 0.608 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.788 12.269 0.078 1.00 0.00 H new ATOM 995 N SER A 64 -6.203 12.285 -2.754 1.00 0.00 N ATOM 996 CA SER A 64 -5.568 13.267 -3.622 1.00 0.00 C ATOM 997 C SER A 64 -4.597 12.588 -4.581 1.00 0.00 C ATOM 998 O SER A 64 -4.362 11.382 -4.493 1.00 0.00 O ATOM 999 CB SER A 64 -4.831 14.317 -2.788 1.00 0.00 C ATOM 1000 OG SER A 64 -4.355 15.374 -3.603 1.00 0.00 O ATOM 0 H SER A 64 -5.643 11.450 -2.583 1.00 0.00 H new ATOM 0 HA SER A 64 -6.345 13.761 -4.205 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.500 14.715 -2.025 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.995 13.851 -2.267 1.00 0.00 H new ATOM 0 HG SER A 64 -3.889 16.032 -3.046 1.00 0.00 H new ATOM 1006 N ALA A 65 -4.035 13.366 -5.498 1.00 0.00 N ATOM 1007 CA ALA A 65 -3.090 12.837 -6.474 1.00 0.00 C ATOM 1008 C ALA A 65 -1.749 12.505 -5.824 1.00 0.00 C ATOM 1009 O ALA A 65 -0.972 11.712 -6.357 1.00 0.00 O ATOM 1010 CB ALA A 65 -2.896 13.829 -7.610 1.00 0.00 C ATOM 0 H ALA A 65 -4.217 14.366 -5.586 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.504 11.913 -6.877 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.188 13.422 -8.332 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.852 14.010 -8.102 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.509 14.767 -7.212 1.00 0.00 H new ATOM 1016 N ASN A 66 -1.478 13.119 -4.676 1.00 0.00 N ATOM 1017 CA ASN A 66 -0.224 12.889 -3.965 1.00 0.00 C ATOM 1018 C ASN A 66 -0.462 12.359 -2.551 1.00 0.00 C ATOM 1019 O ASN A 66 0.482 11.969 -1.864 1.00 0.00 O ATOM 1020 CB ASN A 66 0.583 14.187 -3.890 1.00 0.00 C ATOM 1021 CG ASN A 66 1.028 14.706 -5.252 1.00 0.00 C ATOM 1022 OD1 ASN A 66 1.311 15.895 -5.402 1.00 0.00 O ATOM 1023 ND2 ASN A 66 1.096 13.830 -6.257 1.00 0.00 N ATOM 0 H ASN A 66 -2.108 13.778 -4.219 1.00 0.00 H new ATOM 0 HA ASN A 66 0.333 12.135 -4.522 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -0.018 14.951 -3.398 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.463 14.023 -3.267 1.00 0.00 H new ATOM 0 HD21 ASN A 66 1.390 14.139 -7.184 1.00 0.00 H new ATOM 0 HD22 ASN A 66 0.854 12.852 -6.098 1.00 0.00 H new ATOM 1030 N GLU A 67 -1.717 12.352 -2.115 1.00 0.00 N ATOM 1031 CA GLU A 67 -2.053 11.872 -0.779 1.00 0.00 C ATOM 1032 C GLU A 67 -2.737 10.510 -0.839 1.00 0.00 C ATOM 1033 O GLU A 67 -3.433 10.193 -1.804 1.00 0.00 O ATOM 1034 CB GLU A 67 -2.958 12.879 -0.066 1.00 0.00 C ATOM 1035 CG GLU A 67 -2.647 13.037 1.412 1.00 0.00 C ATOM 1036 CD GLU A 67 -3.436 14.160 2.058 1.00 0.00 C ATOM 1037 OE1 GLU A 67 -3.027 15.332 1.911 1.00 0.00 O ATOM 1038 OE2 GLU A 67 -4.461 13.869 2.708 1.00 0.00 O ATOM 0 H GLU A 67 -2.515 12.672 -2.664 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.125 11.764 -0.218 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.863 13.849 -0.554 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.996 12.565 -0.179 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.865 12.102 1.927 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.581 13.228 1.537 1.00 0.00 H new ATOM 1045 N LEU A 68 -2.524 9.707 0.199 1.00 0.00 N ATOM 1046 CA LEU A 68 -3.106 8.374 0.273 1.00 0.00 C ATOM 1047 C LEU A 68 -3.767 8.161 1.629 1.00 0.00 C ATOM 1048 O LEU A 68 -3.254 8.606 2.656 1.00 0.00 O ATOM 1049 CB LEU A 68 -2.006 7.327 0.014 1.00 0.00 C ATOM 1050 CG LEU A 68 -2.226 5.899 0.552 1.00 0.00 C ATOM 1051 CD1 LEU A 68 -2.448 5.863 2.055 1.00 0.00 C ATOM 1052 CD2 LEU A 68 -3.376 5.232 -0.175 1.00 0.00 C ATOM 0 H LEU A 68 -1.950 9.959 1.003 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.878 8.265 -0.489 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.857 7.259 -1.064 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.077 7.706 0.441 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.309 5.343 0.359 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.597 4.832 2.376 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.577 6.279 2.562 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.330 6.453 2.307 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.519 4.225 0.216 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.287 5.812 -0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.151 5.179 -1.240 1.00 0.00 H new ATOM 1064 N HIS A 69 -4.895 7.467 1.627 1.00 0.00 N ATOM 1065 CA HIS A 69 -5.610 7.182 2.864 1.00 0.00 C ATOM 1066 C HIS A 69 -5.874 5.689 3.005 1.00 0.00 C ATOM 1067 O HIS A 69 -6.715 5.129 2.303 1.00 0.00 O ATOM 1068 CB HIS A 69 -6.930 7.944 2.918 1.00 0.00 C ATOM 1069 CG HIS A 69 -6.822 9.284 3.577 1.00 0.00 C ATOM 1070 ND1 HIS A 69 -5.636 9.981 3.679 1.00 0.00 N ATOM 1071 CD2 HIS A 69 -7.762 10.058 4.171 1.00 0.00 C ATOM 1072 CE1 HIS A 69 -5.851 11.123 4.307 1.00 0.00 C ATOM 1073 NE2 HIS A 69 -7.132 11.195 4.615 1.00 0.00 N ATOM 0 H HIS A 69 -5.335 7.092 0.787 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.981 7.509 3.692 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.305 8.077 1.903 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -7.665 7.343 3.454 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -4.734 9.664 3.325 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -8.811 9.825 4.276 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.105 11.871 4.530 1.00 0.00 H new ATOM 1082 N HIS A 70 -5.157 5.050 3.920 1.00 0.00 N ATOM 1083 CA HIS A 70 -5.328 3.620 4.151 1.00 0.00 C ATOM 1084 C HIS A 70 -5.173 3.290 5.633 1.00 0.00 C ATOM 1085 O HIS A 70 -4.267 3.791 6.299 1.00 0.00 O ATOM 1086 CB HIS A 70 -4.336 2.812 3.298 1.00 0.00 C ATOM 1087 CG HIS A 70 -3.115 2.352 4.036 1.00 0.00 C ATOM 1088 ND1 HIS A 70 -2.944 1.056 4.474 1.00 0.00 N ATOM 1089 CD2 HIS A 70 -2.003 3.023 4.410 1.00 0.00 C ATOM 1090 CE1 HIS A 70 -1.778 0.951 5.086 1.00 0.00 C ATOM 1091 NE2 HIS A 70 -1.187 2.130 5.060 1.00 0.00 N ATOM 0 H HIS A 70 -4.455 5.495 4.512 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.338 3.341 3.850 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -4.850 1.941 2.893 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -4.025 3.422 2.450 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -1.795 4.068 4.231 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -1.377 0.053 5.532 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.272 2.344 5.458 1.00 0.00 H new ATOM 1100 N GLY A 71 -6.070 2.452 6.144 1.00 0.00 N ATOM 1101 CA GLY A 71 -6.017 2.081 7.546 1.00 0.00 C ATOM 1102 C GLY A 71 -6.096 3.291 8.459 1.00 0.00 C ATOM 1103 O GLY A 71 -5.674 3.235 9.614 1.00 0.00 O ATOM 0 H GLY A 71 -6.830 2.025 5.614 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.839 1.402 7.772 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.092 1.539 7.743 1.00 0.00 H new ATOM 1107 N GLY A 72 -6.636 4.387 7.935 1.00 0.00 N ATOM 1108 CA GLY A 72 -6.759 5.601 8.716 1.00 0.00 C ATOM 1109 C GLY A 72 -5.454 6.370 8.798 1.00 0.00 C ATOM 1110 O GLY A 72 -5.233 7.128 9.742 1.00 0.00 O ATOM 0 H GLY A 72 -6.991 4.454 6.981 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.526 6.238 8.275 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.094 5.350 9.723 1.00 0.00 H new ATOM 1114 N MET A 73 -4.586 6.176 7.808 1.00 0.00 N ATOM 1115 CA MET A 73 -3.301 6.853 7.779 1.00 0.00 C ATOM 1116 C MET A 73 -3.206 7.792 6.584 1.00 0.00 C ATOM 1117 O MET A 73 -3.998 7.704 5.647 1.00 0.00 O ATOM 1118 CB MET A 73 -2.175 5.822 7.715 1.00 0.00 C ATOM 1119 CG MET A 73 -1.498 5.579 9.052 1.00 0.00 C ATOM 1120 SD MET A 73 -2.159 4.141 9.915 1.00 0.00 S ATOM 1121 CE MET A 73 -0.693 3.542 10.750 1.00 0.00 C ATOM 0 H MET A 73 -4.753 5.554 7.017 1.00 0.00 H new ATOM 0 HA MET A 73 -3.205 7.445 8.689 1.00 0.00 H new ATOM 0 HB2 MET A 73 -2.577 4.879 7.344 1.00 0.00 H new ATOM 0 HB3 MET A 73 -1.428 6.156 6.994 1.00 0.00 H new ATOM 0 HG2 MET A 73 -0.428 5.443 8.893 1.00 0.00 H new ATOM 0 HG3 MET A 73 -1.617 6.461 9.681 1.00 0.00 H new ATOM 0 HE1 MET A 73 -0.942 2.652 11.328 1.00 0.00 H new ATOM 0 HE2 MET A 73 0.070 3.294 10.012 1.00 0.00 H new ATOM 0 HE3 MET A 73 -0.314 4.315 11.419 1.00 0.00 H new ATOM 1131 N THR A 74 -2.221 8.680 6.619 1.00 0.00 N ATOM 1132 CA THR A 74 -2.008 9.625 5.530 1.00 0.00 C ATOM 1133 C THR A 74 -0.636 9.405 4.911 1.00 0.00 C ATOM 1134 O THR A 74 0.389 9.725 5.513 1.00 0.00 O ATOM 1135 CB THR A 74 -2.135 11.065 6.027 1.00 0.00 C ATOM 1136 OG1 THR A 74 -3.318 11.231 6.787 1.00 0.00 O ATOM 1137 CG2 THR A 74 -2.160 12.083 4.907 1.00 0.00 C ATOM 0 H THR A 74 -1.557 8.766 7.389 1.00 0.00 H new ATOM 0 HA THR A 74 -2.774 9.455 4.773 1.00 0.00 H new ATOM 0 HB THR A 74 -1.248 11.241 6.636 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.380 12.159 7.097 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.252 13.084 5.328 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.237 12.014 4.332 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.010 11.885 4.254 1.00 0.00 H new ATOM 1145 N PHE A 75 -0.624 8.843 3.711 1.00 0.00 N ATOM 1146 CA PHE A 75 0.623 8.560 3.012 1.00 0.00 C ATOM 1147 C PHE A 75 0.804 9.474 1.803 1.00 0.00 C ATOM 1148 O PHE A 75 -0.086 9.593 0.963 1.00 0.00 O ATOM 1149 CB PHE A 75 0.638 7.096 2.577 1.00 0.00 C ATOM 1150 CG PHE A 75 1.069 6.156 3.657 1.00 0.00 C ATOM 1151 CD1 PHE A 75 2.410 5.893 3.877 1.00 0.00 C ATOM 1152 CD2 PHE A 75 0.124 5.535 4.456 1.00 0.00 C ATOM 1153 CE1 PHE A 75 2.802 5.024 4.876 1.00 0.00 C ATOM 1154 CE2 PHE A 75 0.509 4.666 5.458 1.00 0.00 C ATOM 1155 CZ PHE A 75 1.850 4.409 5.668 1.00 0.00 C ATOM 0 H PHE A 75 -1.464 8.573 3.200 1.00 0.00 H new ATOM 0 HA PHE A 75 1.453 8.749 3.693 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.360 6.816 2.239 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.306 6.986 1.723 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.157 6.372 3.261 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.925 5.732 4.294 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.851 4.825 5.039 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.237 4.188 6.076 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.154 3.729 6.450 1.00 0.00 H new ATOM 1165 N TYR A 76 1.966 10.111 1.725 1.00 0.00 N ATOM 1166 CA TYR A 76 2.274 11.010 0.620 1.00 0.00 C ATOM 1167 C TYR A 76 3.249 10.350 -0.345 1.00 0.00 C ATOM 1168 O TYR A 76 4.114 9.579 0.065 1.00 0.00 O ATOM 1169 CB TYR A 76 2.863 12.320 1.142 1.00 0.00 C ATOM 1170 CG TYR A 76 2.066 12.934 2.270 1.00 0.00 C ATOM 1171 CD1 TYR A 76 2.145 12.421 3.558 1.00 0.00 C ATOM 1172 CD2 TYR A 76 1.234 14.022 2.046 1.00 0.00 C ATOM 1173 CE1 TYR A 76 1.417 12.976 4.592 1.00 0.00 C ATOM 1174 CE2 TYR A 76 0.502 14.582 3.075 1.00 0.00 C ATOM 1175 CZ TYR A 76 0.595 14.055 4.345 1.00 0.00 C ATOM 1176 OH TYR A 76 -0.132 14.612 5.372 1.00 0.00 O ATOM 0 H TYR A 76 2.712 10.021 2.415 1.00 0.00 H new ATOM 0 HA TYR A 76 1.347 11.230 0.090 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.882 12.140 1.484 1.00 0.00 H new ATOM 0 HB3 TYR A 76 2.924 13.034 0.321 1.00 0.00 H new ATOM 0 HD1 TYR A 76 2.786 11.574 3.754 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.158 14.437 1.052 1.00 0.00 H new ATOM 0 HE1 TYR A 76 1.491 12.567 5.589 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.140 15.429 2.885 1.00 0.00 H new ATOM 0 HH TYR A 76 -0.659 15.364 5.030 1.00 0.00 H new ATOM 1186 N ARG A 77 3.100 10.651 -1.629 1.00 0.00 N ATOM 1187 CA ARG A 77 3.969 10.071 -2.645 1.00 0.00 C ATOM 1188 C ARG A 77 5.370 10.662 -2.587 1.00 0.00 C ATOM 1189 O ARG A 77 5.537 11.870 -2.457 1.00 0.00 O ATOM 1190 CB ARG A 77 3.387 10.286 -4.039 1.00 0.00 C ATOM 1191 CG ARG A 77 3.828 9.237 -5.047 1.00 0.00 C ATOM 1192 CD ARG A 77 2.854 8.074 -5.099 1.00 0.00 C ATOM 1193 NE ARG A 77 1.790 8.295 -6.075 1.00 0.00 N ATOM 1194 CZ ARG A 77 1.920 8.063 -7.379 1.00 0.00 C ATOM 1195 NH1 ARG A 77 3.064 7.603 -7.870 1.00 0.00 N ATOM 1196 NH2 ARG A 77 0.901 8.291 -8.197 1.00 0.00 N ATOM 0 H ARG A 77 2.391 11.289 -1.990 1.00 0.00 H new ATOM 0 HA ARG A 77 4.035 9.003 -2.440 1.00 0.00 H new ATOM 0 HB2 ARG A 77 2.299 10.282 -3.975 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.682 11.272 -4.399 1.00 0.00 H new ATOM 0 HG2 ARG A 77 3.908 9.691 -6.035 1.00 0.00 H new ATOM 0 HG3 ARG A 77 4.820 8.871 -4.783 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.393 7.161 -5.351 1.00 0.00 H new ATOM 0 HD3 ARG A 77 2.416 7.924 -4.112 1.00 0.00 H new ATOM 0 HE ARG A 77 0.895 8.648 -5.737 1.00 0.00 H new ATOM 0 HH11 ARG A 77 3.851 7.425 -7.247 1.00 0.00 H new ATOM 0 HH12 ARG A 77 3.156 7.428 -8.871 1.00 0.00 H new ATOM 0 HH21 ARG A 77 0.019 8.644 -7.826 1.00 0.00 H new ATOM 0 HH22 ARG A 77 1.000 8.113 -9.197 1.00 0.00 H new ATOM 1210 N GLU A 78 6.358 9.776 -2.707 1.00 0.00 N ATOM 1211 CA GLU A 78 7.788 10.115 -2.696 1.00 0.00 C ATOM 1212 C GLU A 78 8.136 11.221 -1.694 1.00 0.00 C ATOM 1213 O GLU A 78 8.970 11.023 -0.810 1.00 0.00 O ATOM 1214 CB GLU A 78 8.254 10.454 -4.127 1.00 0.00 C ATOM 1215 CG GLU A 78 8.906 11.823 -4.308 1.00 0.00 C ATOM 1216 CD GLU A 78 7.906 12.912 -4.637 1.00 0.00 C ATOM 1217 OE1 GLU A 78 7.087 12.709 -5.559 1.00 0.00 O ATOM 1218 OE2 GLU A 78 7.938 13.970 -3.972 1.00 0.00 O ATOM 0 H GLU A 78 6.186 8.777 -2.818 1.00 0.00 H new ATOM 0 HA GLU A 78 8.335 9.238 -2.349 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.962 9.690 -4.449 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.394 10.392 -4.793 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.439 12.090 -3.395 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.647 11.764 -5.105 1.00 0.00 H new