USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=13 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 18 GLN : amide:sc= 1.42 K(o=2.6,f=1.3) USER MOD Set 1.2: A 50 TYR OH : rot -69:sc= 1.18 USER MOD Single : A 5 TYR OH : rot -41:sc= -5.08! USER MOD Single : A 11 THR OG1 : rot 43:sc= -1.21 USER MOD Single : A 23 ASN : amide:sc= -3.07 K(o=-3.1,f=-11!) USER MOD Single : A 26 TYR OH : rot -161:sc= 1.06 USER MOD Single : A 37 TYR OH : rot 100:sc= -0.951 USER MOD Single : A 38 GLN : amide:sc= -3.12 X(o=-3.1,f=-3.5!) USER MOD Single : A 41 TYR OH : rot 10:sc= -0.59 USER MOD Single : A 47 HIS : no HD1:sc= -2.61 X(o=-2.6,f=-2.8!) USER MOD Single : A 49 ASN : amide:sc= -1.02 K(o=-1,f=-6.7!) USER MOD Single : A 54 THR OG1 : rot -46:sc= 0.88 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 69 HIS : no HD1:sc= -0.631 X(o=-0.63,f=-0.7) USER MOD Single : A 70 HIS :FLIP no HD1:sc= -3.27! C(o=-6.3!,f=-3.3!) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 55 N PRO A 4 -1.001 -1.635 -11.522 1.00 0.00 N ATOM 56 CA PRO A 4 0.203 -1.102 -10.868 1.00 0.00 C ATOM 57 C PRO A 4 0.161 0.415 -10.726 1.00 0.00 C ATOM 58 O PRO A 4 -0.617 1.089 -11.400 1.00 0.00 O ATOM 59 CB PRO A 4 1.334 -1.510 -11.816 1.00 0.00 C ATOM 60 CG PRO A 4 0.804 -2.685 -12.559 1.00 0.00 C ATOM 61 CD PRO A 4 -0.670 -2.438 -12.713 1.00 0.00 C ATOM 0 HA PRO A 4 0.316 -1.485 -9.854 1.00 0.00 H new ATOM 0 HB2 PRO A 4 1.593 -0.697 -12.495 1.00 0.00 H new ATOM 0 HB3 PRO A 4 2.239 -1.766 -11.265 1.00 0.00 H new ATOM 0 HG2 PRO A 4 1.288 -2.784 -13.531 1.00 0.00 H new ATOM 0 HG3 PRO A 4 0.991 -3.610 -12.014 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -0.895 -1.902 -13.635 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.234 -3.370 -12.740 1.00 0.00 H new ATOM 69 N TYR A 5 1.015 0.947 -9.855 1.00 0.00 N ATOM 70 CA TYR A 5 1.081 2.388 -9.643 1.00 0.00 C ATOM 71 C TYR A 5 2.511 2.830 -9.406 1.00 0.00 C ATOM 72 O TYR A 5 2.957 3.833 -9.962 1.00 0.00 O ATOM 73 CB TYR A 5 0.207 2.822 -8.465 1.00 0.00 C ATOM 74 CG TYR A 5 -1.209 3.147 -8.872 1.00 0.00 C ATOM 75 CD1 TYR A 5 -2.115 2.137 -9.155 1.00 0.00 C ATOM 76 CD2 TYR A 5 -1.632 4.463 -8.992 1.00 0.00 C ATOM 77 CE1 TYR A 5 -3.406 2.429 -9.549 1.00 0.00 C ATOM 78 CE2 TYR A 5 -2.922 4.764 -9.379 1.00 0.00 C ATOM 79 CZ TYR A 5 -3.806 3.744 -9.658 1.00 0.00 C ATOM 80 OH TYR A 5 -5.091 4.040 -10.051 1.00 0.00 O ATOM 0 H TYR A 5 1.667 0.404 -9.288 1.00 0.00 H new ATOM 0 HA TYR A 5 0.703 2.866 -10.547 1.00 0.00 H new ATOM 0 HB2 TYR A 5 0.192 2.028 -7.719 1.00 0.00 H new ATOM 0 HB3 TYR A 5 0.653 3.696 -7.991 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.807 1.106 -9.066 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.940 5.265 -8.779 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -4.099 1.631 -9.771 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -3.237 5.794 -9.463 1.00 0.00 H new ATOM 0 HH TYR A 5 -5.359 3.437 -10.775 1.00 0.00 H new ATOM 90 N VAL A 6 3.233 2.075 -8.588 1.00 0.00 N ATOM 91 CA VAL A 6 4.618 2.405 -8.296 1.00 0.00 C ATOM 92 C VAL A 6 4.729 3.778 -7.642 1.00 0.00 C ATOM 93 O VAL A 6 4.181 4.762 -8.138 1.00 0.00 O ATOM 94 CB VAL A 6 5.458 2.387 -9.579 1.00 0.00 C ATOM 95 CG1 VAL A 6 6.939 2.524 -9.259 1.00 0.00 C ATOM 96 CG2 VAL A 6 5.186 1.120 -10.368 1.00 0.00 C ATOM 0 H VAL A 6 2.885 1.238 -8.120 1.00 0.00 H new ATOM 0 HA VAL A 6 4.996 1.653 -7.604 1.00 0.00 H new ATOM 0 HB VAL A 6 5.171 3.241 -10.193 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.514 2.509 -10.185 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.113 3.466 -8.739 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.252 1.696 -8.623 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.789 1.120 -11.276 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.444 0.252 -9.762 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.130 1.077 -10.634 1.00 0.00 H new ATOM 106 N GLY A 7 5.435 3.838 -6.522 1.00 0.00 N ATOM 107 CA GLY A 7 5.598 5.092 -5.816 1.00 0.00 C ATOM 108 C GLY A 7 5.945 4.888 -4.357 1.00 0.00 C ATOM 109 O GLY A 7 5.501 3.921 -3.742 1.00 0.00 O ATOM 0 H GLY A 7 5.898 3.039 -6.089 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.383 5.677 -6.296 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.678 5.671 -5.891 1.00 0.00 H new ATOM 113 N ILE A 8 6.732 5.798 -3.794 1.00 0.00 N ATOM 114 CA ILE A 8 7.110 5.692 -2.391 1.00 0.00 C ATOM 115 C ILE A 8 6.160 6.504 -1.531 1.00 0.00 C ATOM 116 O ILE A 8 6.304 7.713 -1.380 1.00 0.00 O ATOM 117 CB ILE A 8 8.566 6.132 -2.156 1.00 0.00 C ATOM 118 CG1 ILE A 8 9.501 5.177 -2.912 1.00 0.00 C ATOM 119 CG2 ILE A 8 8.885 6.167 -0.662 1.00 0.00 C ATOM 120 CD1 ILE A 8 10.582 4.537 -2.062 1.00 0.00 C ATOM 0 H ILE A 8 7.116 6.608 -4.281 1.00 0.00 H new ATOM 0 HA ILE A 8 7.039 4.643 -2.105 1.00 0.00 H new ATOM 0 HB ILE A 8 8.713 7.143 -2.536 1.00 0.00 H new ATOM 0 HG12 ILE A 8 8.901 4.388 -3.366 1.00 0.00 H new ATOM 0 HG13 ILE A 8 9.976 5.725 -3.726 1.00 0.00 H new ATOM 0 HG21 ILE A 8 9.919 6.480 -0.518 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.219 6.872 -0.164 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.744 5.173 -0.237 1.00 0.00 H new ATOM 0 HD11 ILE A 8 11.191 3.880 -2.683 1.00 0.00 H new ATOM 0 HD12 ILE A 8 11.212 5.314 -1.629 1.00 0.00 H new ATOM 0 HD13 ILE A 8 10.121 3.956 -1.263 1.00 0.00 H new ATOM 132 N TRP A 9 5.179 5.813 -0.980 1.00 0.00 N ATOM 133 CA TRP A 9 4.169 6.439 -0.140 1.00 0.00 C ATOM 134 C TRP A 9 4.614 6.453 1.319 1.00 0.00 C ATOM 135 O TRP A 9 4.633 5.419 1.987 1.00 0.00 O ATOM 136 CB TRP A 9 2.833 5.708 -0.305 1.00 0.00 C ATOM 137 CG TRP A 9 2.430 5.548 -1.747 1.00 0.00 C ATOM 138 CD1 TRP A 9 2.995 4.712 -2.670 1.00 0.00 C ATOM 139 CD2 TRP A 9 1.386 6.249 -2.434 1.00 0.00 C ATOM 140 NE1 TRP A 9 2.368 4.849 -3.888 1.00 0.00 N ATOM 141 CE2 TRP A 9 1.375 5.786 -3.767 1.00 0.00 C ATOM 142 CE3 TRP A 9 0.458 7.222 -2.052 1.00 0.00 C ATOM 143 CZ2 TRP A 9 0.473 6.265 -4.713 1.00 0.00 C ATOM 144 CZ3 TRP A 9 -0.437 7.695 -2.993 1.00 0.00 C ATOM 145 CH2 TRP A 9 -0.423 7.217 -4.310 1.00 0.00 C ATOM 0 H TRP A 9 5.058 4.807 -1.100 1.00 0.00 H new ATOM 0 HA TRP A 9 4.038 7.475 -0.453 1.00 0.00 H new ATOM 0 HB2 TRP A 9 2.902 4.724 0.159 1.00 0.00 H new ATOM 0 HB3 TRP A 9 2.055 6.257 0.226 1.00 0.00 H new ATOM 0 HD1 TRP A 9 3.817 4.040 -2.472 1.00 0.00 H new ATOM 0 HE1 TRP A 9 2.603 4.338 -4.739 1.00 0.00 H new ATOM 0 HE3 TRP A 9 0.441 7.598 -1.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 0.480 5.898 -5.729 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -1.159 8.446 -2.708 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -1.135 7.608 -5.022 1.00 0.00 H new ATOM 156 N VAL A 10 4.988 7.637 1.794 1.00 0.00 N ATOM 157 CA VAL A 10 5.455 7.802 3.166 1.00 0.00 C ATOM 158 C VAL A 10 4.486 8.653 3.982 1.00 0.00 C ATOM 159 O VAL A 10 3.730 9.456 3.436 1.00 0.00 O ATOM 160 CB VAL A 10 6.858 8.452 3.193 1.00 0.00 C ATOM 161 CG1 VAL A 10 7.286 8.789 4.615 1.00 0.00 C ATOM 162 CG2 VAL A 10 7.879 7.538 2.533 1.00 0.00 C ATOM 0 H VAL A 10 4.977 8.498 1.247 1.00 0.00 H new ATOM 0 HA VAL A 10 5.510 6.809 3.612 1.00 0.00 H new ATOM 0 HB VAL A 10 6.805 9.384 2.631 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.276 9.244 4.599 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.573 9.487 5.054 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.316 7.877 5.212 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.861 8.010 2.560 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.917 6.589 3.068 1.00 0.00 H new ATOM 0 HG23 VAL A 10 7.591 7.359 1.497 1.00 0.00 H new ATOM 172 N THR A 11 4.521 8.464 5.296 1.00 0.00 N ATOM 173 CA THR A 11 3.652 9.205 6.203 1.00 0.00 C ATOM 174 C THR A 11 4.008 10.690 6.216 1.00 0.00 C ATOM 175 O THR A 11 4.942 11.120 5.538 1.00 0.00 O ATOM 176 CB THR A 11 3.752 8.624 7.612 1.00 0.00 C ATOM 177 OG1 THR A 11 5.025 8.037 7.823 1.00 0.00 O ATOM 178 CG2 THR A 11 2.706 7.567 7.893 1.00 0.00 C ATOM 0 H THR A 11 5.144 7.802 5.758 1.00 0.00 H new ATOM 0 HA THR A 11 2.626 9.109 5.848 1.00 0.00 H new ATOM 0 HB THR A 11 3.590 9.464 8.287 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.720 8.621 7.454 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.830 7.194 8.910 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.712 8.001 7.785 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.822 6.744 7.188 1.00 0.00 H new ATOM 186 N ALA A 12 3.255 11.470 6.988 1.00 0.00 N ATOM 187 CA ALA A 12 3.489 12.908 7.086 1.00 0.00 C ATOM 188 C ALA A 12 4.655 13.224 8.018 1.00 0.00 C ATOM 189 O ALA A 12 5.228 14.313 7.957 1.00 0.00 O ATOM 190 CB ALA A 12 2.226 13.620 7.556 1.00 0.00 C ATOM 0 H ALA A 12 2.478 11.130 7.555 1.00 0.00 H new ATOM 0 HA ALA A 12 3.751 13.270 6.092 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.416 14.691 7.624 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.420 13.439 6.845 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.937 13.240 8.536 1.00 0.00 H new ATOM 196 N ASP A 13 5.004 12.275 8.880 1.00 0.00 N ATOM 197 CA ASP A 13 6.101 12.469 9.819 1.00 0.00 C ATOM 198 C ASP A 13 7.352 11.731 9.356 1.00 0.00 C ATOM 199 O ASP A 13 8.472 12.122 9.683 1.00 0.00 O ATOM 200 CB ASP A 13 5.695 11.988 11.216 1.00 0.00 C ATOM 201 CG ASP A 13 5.507 13.135 12.189 1.00 0.00 C ATOM 202 OD1 ASP A 13 4.895 14.151 11.800 1.00 0.00 O ATOM 203 OD2 ASP A 13 5.972 13.016 13.342 1.00 0.00 O ATOM 0 H ASP A 13 4.544 11.367 8.947 1.00 0.00 H new ATOM 0 HA ASP A 13 6.327 13.535 9.861 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.768 11.418 11.146 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.458 11.310 11.600 1.00 0.00 H new ATOM 208 N GLY A 14 7.155 10.657 8.599 1.00 0.00 N ATOM 209 CA GLY A 14 8.277 9.881 8.111 1.00 0.00 C ATOM 210 C GLY A 14 8.622 8.734 9.038 1.00 0.00 C ATOM 211 O GLY A 14 9.756 8.254 9.048 1.00 0.00 O ATOM 0 H GLY A 14 6.238 10.311 8.315 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.043 9.489 7.121 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.145 10.530 8.000 1.00 0.00 H new ATOM 215 N ARG A 15 7.639 8.290 9.816 1.00 0.00 N ATOM 216 CA ARG A 15 7.849 7.182 10.745 1.00 0.00 C ATOM 217 C ARG A 15 7.876 5.864 9.984 1.00 0.00 C ATOM 218 O ARG A 15 8.575 4.927 10.367 1.00 0.00 O ATOM 219 CB ARG A 15 6.773 7.133 11.847 1.00 0.00 C ATOM 220 CG ARG A 15 5.642 8.141 11.691 1.00 0.00 C ATOM 221 CD ARG A 15 4.687 7.739 10.578 1.00 0.00 C ATOM 222 NE ARG A 15 3.433 7.204 11.101 1.00 0.00 N ATOM 223 CZ ARG A 15 2.441 7.960 11.570 1.00 0.00 C ATOM 224 NH1 ARG A 15 2.554 9.281 11.581 1.00 0.00 N ATOM 225 NH2 ARG A 15 1.334 7.393 12.028 1.00 0.00 N ATOM 0 H ARG A 15 6.695 8.677 9.823 1.00 0.00 H new ATOM 0 HA ARG A 15 8.809 7.344 11.235 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.345 6.131 11.871 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.255 7.297 12.811 1.00 0.00 H new ATOM 0 HG2 ARG A 15 5.094 8.223 12.630 1.00 0.00 H new ATOM 0 HG3 ARG A 15 6.058 9.126 11.477 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.478 8.605 9.949 1.00 0.00 H new ATOM 0 HD3 ARG A 15 5.164 6.992 9.943 1.00 0.00 H new ATOM 0 HE ARG A 15 3.309 6.192 11.108 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.403 9.723 11.229 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.792 9.855 11.941 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.241 6.377 12.022 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.575 7.972 12.387 1.00 0.00 H new ATOM 239 N ILE A 16 7.118 5.805 8.894 1.00 0.00 N ATOM 240 CA ILE A 16 7.066 4.603 8.069 1.00 0.00 C ATOM 241 C ILE A 16 7.081 4.971 6.590 1.00 0.00 C ATOM 242 O ILE A 16 6.699 6.077 6.214 1.00 0.00 O ATOM 243 CB ILE A 16 5.831 3.718 8.395 1.00 0.00 C ATOM 244 CG1 ILE A 16 4.682 3.942 7.404 1.00 0.00 C ATOM 245 CG2 ILE A 16 5.355 3.969 9.815 1.00 0.00 C ATOM 246 CD1 ILE A 16 4.628 2.901 6.308 1.00 0.00 C ATOM 0 H ILE A 16 6.533 6.572 8.562 1.00 0.00 H new ATOM 0 HA ILE A 16 7.954 4.015 8.300 1.00 0.00 H new ATOM 0 HB ILE A 16 6.147 2.679 8.302 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.737 3.938 7.947 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.787 4.929 6.954 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.490 3.340 10.025 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.156 3.730 10.515 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.078 5.017 9.926 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.793 3.117 5.641 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.559 2.920 5.742 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.493 1.914 6.750 1.00 0.00 H new ATOM 258 N ARG A 17 7.526 4.041 5.761 1.00 0.00 N ATOM 259 CA ARG A 17 7.594 4.275 4.325 1.00 0.00 C ATOM 260 C ARG A 17 7.106 3.051 3.556 1.00 0.00 C ATOM 261 O ARG A 17 7.512 1.926 3.841 1.00 0.00 O ATOM 262 CB ARG A 17 9.034 4.644 3.931 1.00 0.00 C ATOM 263 CG ARG A 17 9.563 3.941 2.688 1.00 0.00 C ATOM 264 CD ARG A 17 11.064 4.124 2.553 1.00 0.00 C ATOM 265 NE ARG A 17 11.806 3.215 3.423 1.00 0.00 N ATOM 266 CZ ARG A 17 13.092 2.914 3.257 1.00 0.00 C ATOM 267 NH1 ARG A 17 13.780 3.445 2.255 1.00 0.00 N ATOM 268 NH2 ARG A 17 13.691 2.079 4.095 1.00 0.00 N ATOM 0 H ARG A 17 7.845 3.118 6.055 1.00 0.00 H new ATOM 0 HA ARG A 17 6.939 5.106 4.065 1.00 0.00 H new ATOM 0 HB2 ARG A 17 9.086 5.721 3.770 1.00 0.00 H new ATOM 0 HB3 ARG A 17 9.694 4.414 4.768 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.326 2.878 2.739 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.064 4.336 1.803 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.358 3.955 1.517 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.327 5.154 2.795 1.00 0.00 H new ATOM 0 HE ARG A 17 11.309 2.786 4.204 1.00 0.00 H new ATOM 0 HH11 ARG A 17 13.324 4.087 1.607 1.00 0.00 H new ATOM 0 HH12 ARG A 17 14.765 3.211 2.132 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.166 1.667 4.867 1.00 0.00 H new ATOM 0 HH22 ARG A 17 14.676 1.848 3.968 1.00 0.00 H new ATOM 282 N GLN A 18 6.233 3.281 2.581 1.00 0.00 N ATOM 283 CA GLN A 18 5.690 2.197 1.771 1.00 0.00 C ATOM 284 C GLN A 18 6.025 2.402 0.298 1.00 0.00 C ATOM 285 O GLN A 18 5.534 3.337 -0.335 1.00 0.00 O ATOM 286 CB GLN A 18 4.176 2.100 1.963 1.00 0.00 C ATOM 287 CG GLN A 18 3.573 0.820 1.407 1.00 0.00 C ATOM 288 CD GLN A 18 2.078 0.932 1.182 1.00 0.00 C ATOM 289 OE1 GLN A 18 1.623 1.665 0.304 1.00 0.00 O ATOM 290 NE2 GLN A 18 1.305 0.202 1.978 1.00 0.00 N ATOM 0 H GLN A 18 5.887 4.208 2.333 1.00 0.00 H new ATOM 0 HA GLN A 18 6.146 1.263 2.098 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.948 2.167 3.027 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.701 2.955 1.481 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.061 0.572 0.465 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.773 -0.001 2.096 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.726 -0.392 2.693 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.291 0.235 1.875 1.00 0.00 H new ATOM 299 N GLU A 19 6.868 1.525 -0.242 1.00 0.00 N ATOM 300 CA GLU A 19 7.268 1.621 -1.638 1.00 0.00 C ATOM 301 C GLU A 19 6.380 0.776 -2.531 1.00 0.00 C ATOM 302 O GLU A 19 6.221 -0.426 -2.311 1.00 0.00 O ATOM 303 CB GLU A 19 8.720 1.174 -1.824 1.00 0.00 C ATOM 304 CG GLU A 19 9.189 1.196 -3.270 1.00 0.00 C ATOM 305 CD GLU A 19 10.654 0.831 -3.415 1.00 0.00 C ATOM 306 OE1 GLU A 19 11.051 -0.241 -2.911 1.00 0.00 O ATOM 307 OE2 GLU A 19 11.403 1.617 -4.030 1.00 0.00 O ATOM 0 H GLU A 19 7.284 0.744 0.266 1.00 0.00 H new ATOM 0 HA GLU A 19 7.167 2.668 -1.923 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.368 1.820 -1.232 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.832 0.164 -1.431 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.586 0.501 -3.854 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.023 2.190 -3.687 1.00 0.00 H new ATOM 314 N LEU A 20 5.844 1.399 -3.566 1.00 0.00 N ATOM 315 CA LEU A 20 5.022 0.687 -4.522 1.00 0.00 C ATOM 316 C LEU A 20 5.929 0.215 -5.649 1.00 0.00 C ATOM 317 O LEU A 20 6.528 1.014 -6.366 1.00 0.00 O ATOM 318 CB LEU A 20 3.871 1.565 -5.025 1.00 0.00 C ATOM 319 CG LEU A 20 2.731 1.773 -4.021 1.00 0.00 C ATOM 320 CD1 LEU A 20 1.463 2.222 -4.725 1.00 0.00 C ATOM 321 CD2 LEU A 20 2.465 0.510 -3.218 1.00 0.00 C ATOM 0 H LEU A 20 5.964 2.393 -3.763 1.00 0.00 H new ATOM 0 HA LEU A 20 4.550 -0.177 -4.054 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.272 2.539 -5.304 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.461 1.118 -5.930 1.00 0.00 H new ATOM 0 HG LEU A 20 3.043 2.557 -3.331 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.670 2.363 -3.991 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.648 3.163 -5.244 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.159 1.464 -5.447 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.651 0.690 -2.515 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.188 -0.299 -3.894 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.364 0.232 -2.668 1.00 0.00 H new ATOM 333 N LEU A 21 6.082 -1.094 -5.731 1.00 0.00 N ATOM 334 CA LEU A 21 6.978 -1.715 -6.692 1.00 0.00 C ATOM 335 C LEU A 21 6.558 -1.524 -8.140 1.00 0.00 C ATOM 336 O LEU A 21 5.386 -1.302 -8.443 1.00 0.00 O ATOM 337 CB LEU A 21 7.110 -3.200 -6.368 1.00 0.00 C ATOM 338 CG LEU A 21 8.385 -3.602 -5.603 1.00 0.00 C ATOM 339 CD1 LEU A 21 9.131 -2.379 -5.068 1.00 0.00 C ATOM 340 CD2 LEU A 21 8.036 -4.538 -4.461 1.00 0.00 C ATOM 0 H LEU A 21 5.589 -1.758 -5.134 1.00 0.00 H new ATOM 0 HA LEU A 21 7.941 -1.213 -6.597 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.244 -3.504 -5.780 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.075 -3.762 -7.301 1.00 0.00 H new ATOM 0 HG LEU A 21 9.044 -4.115 -6.303 1.00 0.00 H new ATOM 0 HD11 LEU A 21 10.025 -2.703 -4.534 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.418 -1.735 -5.900 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.483 -1.826 -4.388 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.945 -4.816 -3.927 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.352 -4.037 -3.776 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.560 -5.435 -4.858 1.00 0.00 H new ATOM 352 N PRO A 22 7.546 -1.621 -9.055 1.00 0.00 N ATOM 353 CA PRO A 22 7.333 -1.468 -10.497 1.00 0.00 C ATOM 354 C PRO A 22 6.427 -2.548 -11.070 1.00 0.00 C ATOM 355 O PRO A 22 5.892 -2.402 -12.168 1.00 0.00 O ATOM 356 CB PRO A 22 8.744 -1.585 -11.094 1.00 0.00 C ATOM 357 CG PRO A 22 9.671 -1.356 -9.949 1.00 0.00 C ATOM 358 CD PRO A 22 8.961 -1.897 -8.745 1.00 0.00 C ATOM 0 HA PRO A 22 6.837 -0.525 -10.729 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.903 -2.567 -11.540 1.00 0.00 H new ATOM 0 HB3 PRO A 22 8.901 -0.848 -11.882 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.622 -1.865 -10.106 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.893 -0.296 -9.830 1.00 0.00 H new ATOM 0 HD2 PRO A 22 9.146 -2.963 -8.610 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.280 -1.400 -7.829 1.00 0.00 H new ATOM 366 N ASN A 23 6.254 -3.635 -10.324 1.00 0.00 N ATOM 367 CA ASN A 23 5.408 -4.727 -10.772 1.00 0.00 C ATOM 368 C ASN A 23 4.004 -4.605 -10.186 1.00 0.00 C ATOM 369 O ASN A 23 3.282 -5.594 -10.068 1.00 0.00 O ATOM 370 CB ASN A 23 6.028 -6.070 -10.384 1.00 0.00 C ATOM 371 CG ASN A 23 6.105 -6.271 -8.883 1.00 0.00 C ATOM 372 OD1 ASN A 23 5.767 -5.377 -8.107 1.00 0.00 O ATOM 373 ND2 ASN A 23 6.550 -7.451 -8.469 1.00 0.00 N ATOM 0 H ASN A 23 6.687 -3.779 -9.412 1.00 0.00 H new ATOM 0 HA ASN A 23 5.330 -4.674 -11.858 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.441 -6.876 -10.824 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.030 -6.138 -10.807 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.623 -7.647 -7.471 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.819 -8.162 -9.149 1.00 0.00 H new ATOM 380 N GLY A 24 3.627 -3.383 -9.819 1.00 0.00 N ATOM 381 CA GLY A 24 2.314 -3.155 -9.248 1.00 0.00 C ATOM 382 C GLY A 24 2.170 -3.803 -7.890 1.00 0.00 C ATOM 383 O GLY A 24 1.240 -4.575 -7.657 1.00 0.00 O ATOM 0 H GLY A 24 4.207 -2.549 -9.907 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.138 -2.083 -9.159 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.552 -3.549 -9.921 1.00 0.00 H new ATOM 387 N ARG A 25 3.099 -3.496 -6.994 1.00 0.00 N ATOM 388 CA ARG A 25 3.076 -4.065 -5.653 1.00 0.00 C ATOM 389 C ARG A 25 3.531 -3.056 -4.615 1.00 0.00 C ATOM 390 O ARG A 25 3.826 -1.912 -4.947 1.00 0.00 O ATOM 391 CB ARG A 25 3.942 -5.316 -5.600 1.00 0.00 C ATOM 392 CG ARG A 25 3.569 -6.316 -6.674 1.00 0.00 C ATOM 393 CD ARG A 25 2.160 -6.852 -6.462 1.00 0.00 C ATOM 394 NE ARG A 25 2.167 -8.214 -5.935 1.00 0.00 N ATOM 395 CZ ARG A 25 2.366 -9.298 -6.681 1.00 0.00 C ATOM 396 NH1 ARG A 25 2.579 -9.185 -7.986 1.00 0.00 N ATOM 397 NH2 ARG A 25 2.355 -10.501 -6.120 1.00 0.00 N ATOM 0 H ARG A 25 3.875 -2.858 -7.171 1.00 0.00 H new ATOM 0 HA ARG A 25 2.047 -4.337 -5.418 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.989 -5.036 -5.715 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.842 -5.783 -4.620 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.638 -5.844 -7.654 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.280 -7.142 -6.668 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.624 -6.199 -5.773 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.618 -6.832 -7.408 1.00 0.00 H new ATOM 0 HE ARG A 25 2.010 -8.342 -4.935 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.591 -8.263 -8.423 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.731 -10.020 -8.552 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.194 -10.595 -5.117 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.507 -11.332 -6.692 1.00 0.00 H new ATOM 411 N TYR A 26 3.553 -3.472 -3.354 1.00 0.00 N ATOM 412 CA TYR A 26 3.938 -2.572 -2.277 1.00 0.00 C ATOM 413 C TYR A 26 4.881 -3.228 -1.272 1.00 0.00 C ATOM 414 O TYR A 26 4.828 -4.434 -1.035 1.00 0.00 O ATOM 415 CB TYR A 26 2.674 -2.048 -1.586 1.00 0.00 C ATOM 416 CG TYR A 26 2.254 -2.810 -0.356 1.00 0.00 C ATOM 417 CD1 TYR A 26 2.988 -2.734 0.814 1.00 0.00 C ATOM 418 CD2 TYR A 26 1.113 -3.596 -0.371 1.00 0.00 C ATOM 419 CE1 TYR A 26 2.598 -3.425 1.945 1.00 0.00 C ATOM 420 CE2 TYR A 26 0.710 -4.288 0.751 1.00 0.00 C ATOM 421 CZ TYR A 26 1.456 -4.201 1.910 1.00 0.00 C ATOM 422 OH TYR A 26 1.061 -4.890 3.033 1.00 0.00 O ATOM 0 H TYR A 26 3.311 -4.417 -3.056 1.00 0.00 H new ATOM 0 HA TYR A 26 4.493 -1.741 -2.712 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.835 -1.006 -1.311 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.853 -2.066 -2.303 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.880 -2.125 0.844 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.530 -3.668 -1.277 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.182 -3.359 2.851 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.183 -4.894 0.724 1.00 0.00 H new ATOM 0 HH TYR A 26 0.439 -5.603 2.777 1.00 0.00 H new ATOM 432 N ASP A 27 5.732 -2.397 -0.680 1.00 0.00 N ATOM 433 CA ASP A 27 6.700 -2.833 0.320 1.00 0.00 C ATOM 434 C ASP A 27 6.911 -1.720 1.337 1.00 0.00 C ATOM 435 O ASP A 27 7.447 -0.663 1.003 1.00 0.00 O ATOM 436 CB ASP A 27 8.030 -3.189 -0.347 1.00 0.00 C ATOM 437 CG ASP A 27 8.316 -4.678 -0.313 1.00 0.00 C ATOM 438 OD1 ASP A 27 7.872 -5.388 -1.238 1.00 0.00 O ATOM 439 OD2 ASP A 27 8.987 -5.131 0.638 1.00 0.00 O ATOM 0 H ASP A 27 5.770 -1.398 -0.881 1.00 0.00 H new ATOM 0 HA ASP A 27 6.317 -3.720 0.825 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.016 -2.848 -1.382 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.838 -2.655 0.153 1.00 0.00 H new ATOM 444 N GLU A 28 6.468 -1.936 2.571 1.00 0.00 N ATOM 445 CA GLU A 28 6.600 -0.915 3.602 1.00 0.00 C ATOM 446 C GLU A 28 7.717 -1.236 4.590 1.00 0.00 C ATOM 447 O GLU A 28 7.848 -2.363 5.065 1.00 0.00 O ATOM 448 CB GLU A 28 5.256 -0.719 4.323 1.00 0.00 C ATOM 449 CG GLU A 28 5.369 -0.380 5.803 1.00 0.00 C ATOM 450 CD GLU A 28 4.035 -0.455 6.521 1.00 0.00 C ATOM 451 OE1 GLU A 28 3.164 0.396 6.244 1.00 0.00 O ATOM 452 OE2 GLU A 28 3.862 -1.366 7.356 1.00 0.00 O ATOM 0 H GLU A 28 6.019 -2.799 2.879 1.00 0.00 H new ATOM 0 HA GLU A 28 6.877 0.020 3.114 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.704 0.077 3.823 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.667 -1.630 4.217 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.072 -1.066 6.277 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.780 0.623 5.912 1.00 0.00 H new ATOM 459 N ALA A 29 8.505 -0.211 4.902 1.00 0.00 N ATOM 460 CA ALA A 29 9.606 -0.336 5.844 1.00 0.00 C ATOM 461 C ALA A 29 9.412 0.634 7.003 1.00 0.00 C ATOM 462 O ALA A 29 9.599 1.842 6.854 1.00 0.00 O ATOM 463 CB ALA A 29 10.931 -0.068 5.143 1.00 0.00 C ATOM 0 H ALA A 29 8.397 0.724 4.510 1.00 0.00 H new ATOM 0 HA ALA A 29 9.622 -1.353 6.237 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.747 -0.165 5.859 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.068 -0.788 4.337 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.927 0.941 4.731 1.00 0.00 H new ATOM 469 N ARG A 30 9.022 0.101 8.155 1.00 0.00 N ATOM 470 CA ARG A 30 8.786 0.926 9.334 1.00 0.00 C ATOM 471 C ARG A 30 9.949 0.839 10.317 1.00 0.00 C ATOM 472 O ARG A 30 10.188 -0.206 10.922 1.00 0.00 O ATOM 473 CB ARG A 30 7.485 0.502 10.020 1.00 0.00 C ATOM 474 CG ARG A 30 6.367 0.172 9.044 1.00 0.00 C ATOM 475 CD ARG A 30 5.001 0.478 9.634 1.00 0.00 C ATOM 476 NE ARG A 30 4.778 -0.229 10.894 1.00 0.00 N ATOM 477 CZ ARG A 30 3.583 -0.363 11.467 1.00 0.00 C ATOM 478 NH1 ARG A 30 2.503 0.154 10.896 1.00 0.00 N ATOM 479 NH2 ARG A 30 3.469 -1.021 12.613 1.00 0.00 N ATOM 0 H ARG A 30 8.863 -0.896 8.298 1.00 0.00 H new ATOM 0 HA ARG A 30 8.700 1.962 9.007 1.00 0.00 H new ATOM 0 HB2 ARG A 30 7.680 -0.369 10.645 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.155 1.302 10.682 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.504 0.744 8.126 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.419 -0.883 8.773 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.910 1.551 9.800 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.227 0.199 8.920 1.00 0.00 H new ATOM 0 HE ARG A 30 5.584 -0.644 11.361 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.585 0.658 10.013 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.591 0.048 11.340 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.296 -1.424 13.054 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.555 -1.124 13.053 1.00 0.00 H new ATOM 571 N ALA A 36 8.379 -4.971 6.813 1.00 0.00 N ATOM 572 CA ALA A 36 7.386 -5.430 7.778 1.00 0.00 C ATOM 573 C ALA A 36 6.236 -6.153 7.084 1.00 0.00 C ATOM 574 O ALA A 36 5.817 -7.227 7.510 1.00 0.00 O ATOM 575 CB ALA A 36 6.862 -4.250 8.581 1.00 0.00 C ATOM 0 HA ALA A 36 7.866 -6.138 8.454 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.121 -4.599 9.300 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.687 -3.776 9.112 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.402 -3.527 7.907 1.00 0.00 H new ATOM 581 N TYR A 37 5.734 -5.549 6.015 1.00 0.00 N ATOM 582 CA TYR A 37 4.632 -6.125 5.256 1.00 0.00 C ATOM 583 C TYR A 37 4.718 -5.743 3.781 1.00 0.00 C ATOM 584 O TYR A 37 5.215 -4.673 3.429 1.00 0.00 O ATOM 585 CB TYR A 37 3.293 -5.665 5.833 1.00 0.00 C ATOM 586 CG TYR A 37 2.445 -6.801 6.346 1.00 0.00 C ATOM 587 CD1 TYR A 37 2.784 -7.465 7.515 1.00 0.00 C ATOM 588 CD2 TYR A 37 1.312 -7.215 5.658 1.00 0.00 C ATOM 589 CE1 TYR A 37 2.017 -8.512 7.988 1.00 0.00 C ATOM 590 CE2 TYR A 37 0.537 -8.261 6.122 1.00 0.00 C ATOM 591 CZ TYR A 37 0.893 -8.907 7.289 1.00 0.00 C ATOM 592 OH TYR A 37 0.127 -9.949 7.756 1.00 0.00 O ATOM 0 H TYR A 37 6.074 -4.658 5.653 1.00 0.00 H new ATOM 0 HA TYR A 37 4.704 -7.210 5.334 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.477 -4.962 6.646 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.740 -5.126 5.064 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.662 -7.159 8.065 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.032 -6.711 4.745 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.295 -9.019 8.900 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.341 -8.571 5.575 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.658 -9.594 8.223 1.00 0.00 H new ATOM 602 N GLN A 38 4.218 -6.628 2.927 1.00 0.00 N ATOM 603 CA GLN A 38 4.220 -6.401 1.486 1.00 0.00 C ATOM 604 C GLN A 38 3.183 -7.293 0.818 1.00 0.00 C ATOM 605 O GLN A 38 2.897 -8.389 1.303 1.00 0.00 O ATOM 606 CB GLN A 38 5.601 -6.675 0.877 1.00 0.00 C ATOM 607 CG GLN A 38 6.703 -6.920 1.899 1.00 0.00 C ATOM 608 CD GLN A 38 7.926 -7.576 1.290 1.00 0.00 C ATOM 609 OE1 GLN A 38 8.171 -7.468 0.088 1.00 0.00 O ATOM 610 NE2 GLN A 38 8.705 -8.263 2.119 1.00 0.00 N ATOM 0 H GLN A 38 3.803 -7.516 3.210 1.00 0.00 H new ATOM 0 HA GLN A 38 3.972 -5.354 1.313 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.530 -7.544 0.222 1.00 0.00 H new ATOM 0 HB3 GLN A 38 5.884 -5.828 0.252 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.991 -5.971 2.352 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.317 -7.551 2.700 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.465 -8.327 3.108 1.00 0.00 H new ATOM 0 HE22 GLN A 38 9.543 -8.726 1.766 1.00 0.00 H new ATOM 619 N GLY A 39 2.621 -6.827 -0.288 1.00 0.00 N ATOM 620 CA GLY A 39 1.622 -7.620 -0.979 1.00 0.00 C ATOM 621 C GLY A 39 1.249 -7.051 -2.329 1.00 0.00 C ATOM 622 O GLY A 39 2.103 -6.883 -3.200 1.00 0.00 O ATOM 0 H GLY A 39 2.834 -5.926 -0.716 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.998 -8.635 -1.109 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.728 -7.688 -0.360 1.00 0.00 H new ATOM 626 N ARG A 40 -0.031 -6.754 -2.501 1.00 0.00 N ATOM 627 CA ARG A 40 -0.523 -6.200 -3.748 1.00 0.00 C ATOM 628 C ARG A 40 -1.779 -5.391 -3.488 1.00 0.00 C ATOM 629 O ARG A 40 -2.403 -5.526 -2.435 1.00 0.00 O ATOM 630 CB ARG A 40 -0.804 -7.314 -4.757 1.00 0.00 C ATOM 631 CG ARG A 40 -1.995 -8.187 -4.391 1.00 0.00 C ATOM 632 CD ARG A 40 -1.732 -9.651 -4.710 1.00 0.00 C ATOM 633 NE ARG A 40 -1.246 -9.836 -6.076 1.00 0.00 N ATOM 634 CZ ARG A 40 -1.280 -10.997 -6.724 1.00 0.00 C ATOM 635 NH1 ARG A 40 -1.774 -12.080 -6.135 1.00 0.00 N ATOM 636 NH2 ARG A 40 -0.818 -11.078 -7.964 1.00 0.00 N ATOM 0 H ARG A 40 -0.748 -6.889 -1.788 1.00 0.00 H new ATOM 0 HA ARG A 40 0.240 -5.546 -4.169 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.979 -6.869 -5.736 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.082 -7.943 -4.846 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.214 -8.079 -3.329 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.877 -7.848 -4.935 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.999 -10.049 -4.008 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.650 -10.223 -4.571 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.858 -9.027 -6.561 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.130 -12.024 -5.181 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.798 -12.968 -6.637 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.436 -10.250 -8.421 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.844 -11.968 -8.461 1.00 0.00 H new ATOM 650 N TYR A 41 -2.147 -4.546 -4.434 1.00 0.00 N ATOM 651 CA TYR A 41 -3.330 -3.721 -4.268 1.00 0.00 C ATOM 652 C TYR A 41 -4.170 -3.666 -5.532 1.00 0.00 C ATOM 653 O TYR A 41 -3.669 -3.842 -6.643 1.00 0.00 O ATOM 654 CB TYR A 41 -2.935 -2.302 -3.866 1.00 0.00 C ATOM 655 CG TYR A 41 -1.713 -1.790 -4.588 1.00 0.00 C ATOM 656 CD1 TYR A 41 -0.442 -2.039 -4.093 1.00 0.00 C ATOM 657 CD2 TYR A 41 -1.830 -1.060 -5.765 1.00 0.00 C ATOM 658 CE1 TYR A 41 0.679 -1.576 -4.750 1.00 0.00 C ATOM 659 CE2 TYR A 41 -0.711 -0.595 -6.429 1.00 0.00 C ATOM 660 CZ TYR A 41 0.541 -0.855 -5.916 1.00 0.00 C ATOM 661 OH TYR A 41 1.658 -0.393 -6.573 1.00 0.00 O ATOM 0 H TYR A 41 -1.651 -4.413 -5.315 1.00 0.00 H new ATOM 0 HA TYR A 41 -3.929 -4.179 -3.481 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.771 -1.631 -4.063 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.751 -2.275 -2.792 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -0.328 -2.604 -3.180 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -2.811 -0.853 -6.167 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.662 -1.778 -4.352 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.817 -0.031 -7.344 1.00 0.00 H new ATOM 0 HH TYR A 41 2.460 -0.787 -6.171 1.00 0.00 H new ATOM 671 N GLU A 42 -5.449 -3.390 -5.339 1.00 0.00 N ATOM 672 CA GLU A 42 -6.386 -3.268 -6.446 1.00 0.00 C ATOM 673 C GLU A 42 -6.981 -1.867 -6.445 1.00 0.00 C ATOM 674 O GLU A 42 -7.480 -1.405 -5.423 1.00 0.00 O ATOM 675 CB GLU A 42 -7.494 -4.319 -6.332 1.00 0.00 C ATOM 676 CG GLU A 42 -7.761 -5.064 -7.629 1.00 0.00 C ATOM 677 CD GLU A 42 -9.046 -4.620 -8.302 1.00 0.00 C ATOM 678 OE1 GLU A 42 -9.271 -3.395 -8.406 1.00 0.00 O ATOM 679 OE2 GLU A 42 -9.828 -5.498 -8.725 1.00 0.00 O ATOM 0 H GLU A 42 -5.866 -3.245 -4.419 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.858 -3.437 -7.384 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.223 -5.038 -5.559 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.413 -3.832 -6.007 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.925 -4.909 -8.311 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.812 -6.134 -7.426 1.00 0.00 H new ATOM 686 N VAL A 43 -6.905 -1.187 -7.579 1.00 0.00 N ATOM 687 CA VAL A 43 -7.417 0.174 -7.682 1.00 0.00 C ATOM 688 C VAL A 43 -8.754 0.227 -8.415 1.00 0.00 C ATOM 689 O VAL A 43 -8.901 -0.316 -9.509 1.00 0.00 O ATOM 690 CB VAL A 43 -6.392 1.091 -8.387 1.00 0.00 C ATOM 691 CG1 VAL A 43 -7.000 2.445 -8.732 1.00 0.00 C ATOM 692 CG2 VAL A 43 -5.156 1.266 -7.514 1.00 0.00 C ATOM 0 H VAL A 43 -6.496 -1.552 -8.439 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.579 0.533 -6.666 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.100 0.613 -9.322 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.252 3.064 -9.227 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.851 2.303 -9.398 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.333 2.938 -7.818 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.441 1.914 -8.021 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.443 1.716 -6.563 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.699 0.294 -7.332 1.00 0.00 H new ATOM 702 N ARG A 44 -9.726 0.893 -7.795 1.00 0.00 N ATOM 703 CA ARG A 44 -11.057 1.035 -8.371 1.00 0.00 C ATOM 704 C ARG A 44 -11.594 2.445 -8.144 1.00 0.00 C ATOM 705 O ARG A 44 -12.174 2.735 -7.097 1.00 0.00 O ATOM 706 CB ARG A 44 -12.011 0.013 -7.753 1.00 0.00 C ATOM 707 CG ARG A 44 -13.030 -0.542 -8.736 1.00 0.00 C ATOM 708 CD ARG A 44 -14.452 -0.166 -8.347 1.00 0.00 C ATOM 709 NE ARG A 44 -15.194 -1.308 -7.815 1.00 0.00 N ATOM 710 CZ ARG A 44 -16.521 -1.360 -7.742 1.00 0.00 C ATOM 711 NH1 ARG A 44 -17.258 -0.340 -8.163 1.00 0.00 N ATOM 712 NH2 ARG A 44 -17.115 -2.437 -7.245 1.00 0.00 N ATOM 0 H ARG A 44 -9.613 1.345 -6.888 1.00 0.00 H new ATOM 0 HA ARG A 44 -10.986 0.856 -9.444 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -11.429 -0.812 -7.341 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -12.538 0.478 -6.920 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -12.814 -0.164 -9.735 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -12.940 -1.627 -8.779 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -14.426 0.629 -7.601 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -14.973 0.231 -9.218 1.00 0.00 H new ATOM 0 HE ARG A 44 -14.663 -2.112 -7.480 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -16.807 0.491 -8.546 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -18.275 -0.387 -8.104 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -16.554 -3.224 -6.919 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -18.133 -2.478 -7.189 1.00 0.00 H new ATOM 726 N GLY A 45 -11.397 3.318 -9.125 1.00 0.00 N ATOM 727 CA GLY A 45 -11.867 4.686 -9.000 1.00 0.00 C ATOM 728 C GLY A 45 -11.215 5.414 -7.839 1.00 0.00 C ATOM 729 O GLY A 45 -11.884 6.127 -7.091 1.00 0.00 O ATOM 0 H GLY A 45 -10.922 3.105 -10.002 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.662 5.225 -9.925 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -12.949 4.686 -8.865 1.00 0.00 H new ATOM 733 N ALA A 46 -9.902 5.223 -7.690 1.00 0.00 N ATOM 734 CA ALA A 46 -9.135 5.853 -6.614 1.00 0.00 C ATOM 735 C ALA A 46 -9.215 5.048 -5.315 1.00 0.00 C ATOM 736 O ALA A 46 -8.457 5.298 -4.379 1.00 0.00 O ATOM 737 CB ALA A 46 -9.589 7.289 -6.378 1.00 0.00 C ATOM 0 H ALA A 46 -9.345 4.632 -8.307 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.093 5.870 -6.934 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.000 7.729 -5.573 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.448 7.870 -7.290 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.644 7.297 -6.102 1.00 0.00 H new ATOM 743 N HIS A 47 -10.120 4.073 -5.268 1.00 0.00 N ATOM 744 CA HIS A 47 -10.269 3.232 -4.087 1.00 0.00 C ATOM 745 C HIS A 47 -9.433 1.972 -4.249 1.00 0.00 C ATOM 746 O HIS A 47 -9.519 1.296 -5.272 1.00 0.00 O ATOM 747 CB HIS A 47 -11.738 2.863 -3.877 1.00 0.00 C ATOM 748 CG HIS A 47 -12.294 3.334 -2.568 1.00 0.00 C ATOM 749 ND1 HIS A 47 -12.658 2.476 -1.552 1.00 0.00 N ATOM 750 CD2 HIS A 47 -12.548 4.583 -2.112 1.00 0.00 C ATOM 751 CE1 HIS A 47 -13.113 3.177 -0.529 1.00 0.00 C ATOM 752 NE2 HIS A 47 -13.056 4.458 -0.844 1.00 0.00 N ATOM 0 H HIS A 47 -10.758 3.848 -6.031 1.00 0.00 H new ATOM 0 HA HIS A 47 -9.923 3.784 -3.213 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -12.330 3.288 -4.688 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -11.844 1.780 -3.939 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -12.382 5.506 -2.647 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -13.471 2.771 0.406 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -13.343 5.230 -0.242 1.00 0.00 H new ATOM 761 N ILE A 48 -8.612 1.660 -3.253 1.00 0.00 N ATOM 762 CA ILE A 48 -7.764 0.478 -3.343 1.00 0.00 C ATOM 763 C ILE A 48 -7.600 -0.217 -1.998 1.00 0.00 C ATOM 764 O ILE A 48 -7.680 0.408 -0.943 1.00 0.00 O ATOM 765 CB ILE A 48 -6.368 0.823 -3.946 1.00 0.00 C ATOM 766 CG1 ILE A 48 -5.213 0.206 -3.135 1.00 0.00 C ATOM 767 CG2 ILE A 48 -6.182 2.331 -4.063 1.00 0.00 C ATOM 768 CD1 ILE A 48 -4.933 0.911 -1.820 1.00 0.00 C ATOM 0 H ILE A 48 -8.516 2.196 -2.391 1.00 0.00 H new ATOM 0 HA ILE A 48 -8.271 -0.215 -4.015 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.340 0.384 -4.944 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.444 -0.840 -2.932 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.308 0.221 -3.743 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.201 2.545 -4.486 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.955 2.744 -4.712 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.258 2.785 -3.075 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.107 0.416 -1.310 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.669 1.951 -2.014 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.822 0.874 -1.191 1.00 0.00 H new ATOM 780 N ASN A 49 -7.343 -1.519 -2.062 1.00 0.00 N ATOM 781 CA ASN A 49 -7.134 -2.326 -0.871 1.00 0.00 C ATOM 782 C ASN A 49 -5.903 -3.206 -1.050 1.00 0.00 C ATOM 783 O ASN A 49 -5.556 -3.585 -2.168 1.00 0.00 O ATOM 784 CB ASN A 49 -8.362 -3.194 -0.569 1.00 0.00 C ATOM 785 CG ASN A 49 -9.650 -2.610 -1.122 1.00 0.00 C ATOM 786 OD1 ASN A 49 -10.453 -2.041 -0.382 1.00 0.00 O ATOM 787 ND2 ASN A 49 -9.850 -2.747 -2.426 1.00 0.00 N ATOM 0 H ASN A 49 -7.275 -2.040 -2.936 1.00 0.00 H new ATOM 0 HA ASN A 49 -6.978 -1.655 -0.027 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.210 -4.188 -0.989 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.458 -3.316 0.510 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.697 -2.373 -2.854 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.157 -3.226 -3.001 1.00 0.00 H new ATOM 794 N TYR A 50 -5.246 -3.524 0.055 1.00 0.00 N ATOM 795 CA TYR A 50 -4.051 -4.353 0.036 1.00 0.00 C ATOM 796 C TYR A 50 -4.393 -5.770 0.460 1.00 0.00 C ATOM 797 O TYR A 50 -4.789 -5.994 1.597 1.00 0.00 O ATOM 798 CB TYR A 50 -3.011 -3.789 1.008 1.00 0.00 C ATOM 799 CG TYR A 50 -2.395 -2.473 0.585 1.00 0.00 C ATOM 800 CD1 TYR A 50 -1.663 -2.368 -0.592 1.00 0.00 C ATOM 801 CD2 TYR A 50 -2.540 -1.335 1.371 1.00 0.00 C ATOM 802 CE1 TYR A 50 -1.096 -1.164 -0.972 1.00 0.00 C ATOM 803 CE2 TYR A 50 -1.977 -0.131 0.996 1.00 0.00 C ATOM 804 CZ TYR A 50 -1.256 -0.051 -0.176 1.00 0.00 C ATOM 805 OH TYR A 50 -0.693 1.146 -0.553 1.00 0.00 O ATOM 0 H TYR A 50 -5.525 -3.216 0.987 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.649 -4.358 -0.977 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.479 -3.658 1.983 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.215 -4.523 1.133 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.535 -3.238 -1.219 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.103 -1.394 2.291 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.530 -1.097 -1.889 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -2.101 0.743 1.618 1.00 0.00 H new ATOM 0 HH TYR A 50 0.283 1.084 -0.486 1.00 0.00 H new ATOM 815 N TRP A 51 -4.230 -6.727 -0.442 1.00 0.00 N ATOM 816 CA TRP A 51 -4.516 -8.116 -0.114 1.00 0.00 C ATOM 817 C TRP A 51 -3.220 -8.910 -0.022 1.00 0.00 C ATOM 818 O TRP A 51 -2.733 -9.447 -1.017 1.00 0.00 O ATOM 819 CB TRP A 51 -5.460 -8.738 -1.146 1.00 0.00 C ATOM 820 CG TRP A 51 -5.733 -10.192 -0.905 1.00 0.00 C ATOM 821 CD1 TRP A 51 -6.681 -10.721 -0.077 1.00 0.00 C ATOM 822 CD2 TRP A 51 -5.052 -11.306 -1.499 1.00 0.00 C ATOM 823 NE1 TRP A 51 -6.630 -12.094 -0.118 1.00 0.00 N ATOM 824 CE2 TRP A 51 -5.639 -12.476 -0.983 1.00 0.00 C ATOM 825 CE3 TRP A 51 -4.003 -11.425 -2.415 1.00 0.00 C ATOM 826 CZ2 TRP A 51 -5.213 -13.749 -1.355 1.00 0.00 C ATOM 827 CZ3 TRP A 51 -3.581 -12.688 -2.783 1.00 0.00 C ATOM 828 CH2 TRP A 51 -4.185 -13.836 -2.253 1.00 0.00 C ATOM 0 H TRP A 51 -3.905 -6.570 -1.396 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.014 -8.147 0.855 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -6.404 -8.193 -1.139 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -5.030 -8.617 -2.140 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -7.370 -10.145 0.523 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -7.232 -12.726 0.410 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -3.531 -10.546 -2.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -5.678 -14.635 -0.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -2.772 -12.792 -3.491 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -3.832 -14.809 -2.560 1.00 0.00 H new ATOM 839 N ASP A 52 -2.657 -8.962 1.180 1.00 0.00 N ATOM 840 CA ASP A 52 -1.404 -9.675 1.407 1.00 0.00 C ATOM 841 C ASP A 52 -1.566 -11.175 1.217 1.00 0.00 C ATOM 842 O ASP A 52 -2.671 -11.711 1.302 1.00 0.00 O ATOM 843 CB ASP A 52 -0.874 -9.397 2.814 1.00 0.00 C ATOM 844 CG ASP A 52 -0.096 -8.098 2.891 1.00 0.00 C ATOM 845 OD1 ASP A 52 -0.721 -7.023 2.770 1.00 0.00 O ATOM 846 OD2 ASP A 52 1.139 -8.157 3.074 1.00 0.00 O ATOM 0 H ASP A 52 -3.047 -8.520 2.012 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.690 -9.310 0.669 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.709 -9.359 3.513 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.233 -10.221 3.127 1.00 0.00 H new ATOM 851 N ASP A 53 -0.448 -11.845 0.970 1.00 0.00 N ATOM 852 CA ASP A 53 -0.443 -13.288 0.777 1.00 0.00 C ATOM 853 C ASP A 53 -0.364 -14.020 2.117 1.00 0.00 C ATOM 854 O ASP A 53 -0.575 -15.231 2.182 1.00 0.00 O ATOM 855 CB ASP A 53 0.730 -13.700 -0.116 1.00 0.00 C ATOM 856 CG ASP A 53 0.284 -14.489 -1.330 1.00 0.00 C ATOM 857 OD1 ASP A 53 -0.372 -15.538 -1.149 1.00 0.00 O ATOM 858 OD2 ASP A 53 0.589 -14.062 -2.464 1.00 0.00 O ATOM 0 H ASP A 53 0.471 -11.409 0.898 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.377 -13.567 0.289 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.265 -12.808 -0.442 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.432 -14.298 0.465 1.00 0.00 H new ATOM 863 N THR A 54 -0.052 -13.283 3.187 1.00 0.00 N ATOM 864 CA THR A 54 0.058 -13.881 4.513 1.00 0.00 C ATOM 865 C THR A 54 -1.269 -13.830 5.268 1.00 0.00 C ATOM 866 O THR A 54 -1.298 -13.873 6.497 1.00 0.00 O ATOM 867 CB THR A 54 1.155 -13.190 5.326 1.00 0.00 C ATOM 868 OG1 THR A 54 1.368 -13.861 6.553 1.00 0.00 O ATOM 869 CG2 THR A 54 0.847 -11.742 5.644 1.00 0.00 C ATOM 0 H THR A 54 0.127 -12.279 3.158 1.00 0.00 H new ATOM 0 HA THR A 54 0.324 -14.929 4.377 1.00 0.00 H new ATOM 0 HB THR A 54 2.043 -13.225 4.696 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.505 -14.051 6.976 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.666 -11.314 6.222 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.727 -11.183 4.716 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.074 -11.685 6.224 1.00 0.00 H new ATOM 877 N GLY A 55 -2.363 -13.772 4.521 1.00 0.00 N ATOM 878 CA GLY A 55 -3.683 -13.755 5.127 1.00 0.00 C ATOM 879 C GLY A 55 -4.099 -12.407 5.695 1.00 0.00 C ATOM 880 O GLY A 55 -4.935 -12.356 6.599 1.00 0.00 O ATOM 0 H GLY A 55 -2.361 -13.736 3.502 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.416 -14.062 4.381 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.712 -14.496 5.926 1.00 0.00 H new ATOM 884 N PHE A 56 -3.550 -11.312 5.174 1.00 0.00 N ATOM 885 CA PHE A 56 -3.917 -9.992 5.653 1.00 0.00 C ATOM 886 C PHE A 56 -4.523 -9.181 4.522 1.00 0.00 C ATOM 887 O PHE A 56 -4.354 -9.505 3.347 1.00 0.00 O ATOM 888 CB PHE A 56 -2.691 -9.270 6.242 1.00 0.00 C ATOM 889 CG PHE A 56 -2.664 -7.775 6.021 1.00 0.00 C ATOM 890 CD1 PHE A 56 -2.594 -7.243 4.741 1.00 0.00 C ATOM 891 CD2 PHE A 56 -2.714 -6.903 7.099 1.00 0.00 C ATOM 892 CE1 PHE A 56 -2.579 -5.873 4.539 1.00 0.00 C ATOM 893 CE2 PHE A 56 -2.696 -5.534 6.904 1.00 0.00 C ATOM 894 CZ PHE A 56 -2.630 -5.018 5.624 1.00 0.00 C ATOM 0 H PHE A 56 -2.856 -11.317 4.427 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.659 -10.099 6.444 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.654 -9.465 7.314 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -1.790 -9.703 5.808 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.551 -7.907 3.890 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.768 -7.298 8.103 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.528 -5.474 3.537 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.734 -4.868 7.753 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.618 -3.949 5.471 1.00 0.00 H new ATOM 904 N THR A 57 -5.196 -8.106 4.886 1.00 0.00 N ATOM 905 CA THR A 57 -5.794 -7.218 3.903 1.00 0.00 C ATOM 906 C THR A 57 -6.099 -5.857 4.508 1.00 0.00 C ATOM 907 O THR A 57 -6.508 -5.755 5.665 1.00 0.00 O ATOM 908 CB THR A 57 -7.062 -7.818 3.278 1.00 0.00 C ATOM 909 OG1 THR A 57 -8.215 -7.079 3.654 1.00 0.00 O ATOM 910 CG2 THR A 57 -7.317 -9.268 3.641 1.00 0.00 C ATOM 0 H THR A 57 -5.343 -7.825 5.855 1.00 0.00 H new ATOM 0 HA THR A 57 -5.060 -7.091 3.107 1.00 0.00 H new ATOM 0 HB THR A 57 -6.880 -7.765 2.205 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.009 -7.480 3.242 1.00 0.00 H new ATOM 0 HG21 THR A 57 -8.232 -9.609 3.156 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.479 -9.880 3.306 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.423 -9.359 4.722 1.00 0.00 H new ATOM 918 N ALA A 58 -5.896 -4.811 3.716 1.00 0.00 N ATOM 919 CA ALA A 58 -6.151 -3.447 4.181 1.00 0.00 C ATOM 920 C ALA A 58 -6.744 -2.581 3.073 1.00 0.00 C ATOM 921 O ALA A 58 -6.140 -2.409 2.020 1.00 0.00 O ATOM 922 CB ALA A 58 -4.868 -2.824 4.709 1.00 0.00 C ATOM 0 H ALA A 58 -5.558 -4.876 2.756 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.881 -3.499 4.989 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.071 -1.809 5.052 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.490 -3.419 5.540 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.123 -2.796 3.914 1.00 0.00 H new ATOM 928 N ASP A 59 -7.928 -2.033 3.320 1.00 0.00 N ATOM 929 CA ASP A 59 -8.594 -1.186 2.336 1.00 0.00 C ATOM 930 C ASP A 59 -8.224 0.284 2.523 1.00 0.00 C ATOM 931 O ASP A 59 -7.891 0.715 3.626 1.00 0.00 O ATOM 932 CB ASP A 59 -10.111 -1.355 2.430 1.00 0.00 C ATOM 933 CG ASP A 59 -10.625 -1.180 3.846 1.00 0.00 C ATOM 934 OD1 ASP A 59 -10.220 -0.203 4.508 1.00 0.00 O ATOM 935 OD2 ASP A 59 -11.435 -2.020 4.291 1.00 0.00 O ATOM 0 H ASP A 59 -8.446 -2.159 4.190 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.256 -1.499 1.348 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -10.596 -0.629 1.778 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.387 -2.345 2.066 1.00 0.00 H new ATOM 940 N GLY A 60 -8.289 1.045 1.434 1.00 0.00 N ATOM 941 CA GLY A 60 -7.963 2.457 1.490 1.00 0.00 C ATOM 942 C GLY A 60 -8.662 3.251 0.402 1.00 0.00 C ATOM 943 O GLY A 60 -9.605 2.762 -0.220 1.00 0.00 O ATOM 0 H GLY A 60 -8.563 0.706 0.512 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.244 2.855 2.465 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.885 2.583 1.393 1.00 0.00 H new ATOM 947 N ASP A 61 -8.201 4.476 0.171 1.00 0.00 N ATOM 948 CA ASP A 61 -8.793 5.333 -0.849 1.00 0.00 C ATOM 949 C ASP A 61 -7.915 6.551 -1.118 1.00 0.00 C ATOM 950 O ASP A 61 -7.453 7.213 -0.189 1.00 0.00 O ATOM 951 CB ASP A 61 -10.190 5.782 -0.420 1.00 0.00 C ATOM 952 CG ASP A 61 -10.173 6.556 0.884 1.00 0.00 C ATOM 953 OD1 ASP A 61 -9.931 5.935 1.940 1.00 0.00 O ATOM 954 OD2 ASP A 61 -10.401 7.784 0.848 1.00 0.00 O ATOM 0 H ASP A 61 -7.421 4.897 0.676 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.871 4.755 -1.770 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.625 6.403 -1.203 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.833 4.908 -0.312 1.00 0.00 H new ATOM 959 N PHE A 62 -7.691 6.843 -2.394 1.00 0.00 N ATOM 960 CA PHE A 62 -6.873 7.984 -2.784 1.00 0.00 C ATOM 961 C PHE A 62 -7.645 9.286 -2.627 1.00 0.00 C ATOM 962 O PHE A 62 -8.577 9.565 -3.380 1.00 0.00 O ATOM 963 CB PHE A 62 -6.406 7.849 -4.236 1.00 0.00 C ATOM 964 CG PHE A 62 -5.515 6.665 -4.509 1.00 0.00 C ATOM 965 CD1 PHE A 62 -5.157 5.777 -3.502 1.00 0.00 C ATOM 966 CD2 PHE A 62 -5.031 6.444 -5.789 1.00 0.00 C ATOM 967 CE1 PHE A 62 -4.336 4.699 -3.771 1.00 0.00 C ATOM 968 CE2 PHE A 62 -4.209 5.369 -6.062 1.00 0.00 C ATOM 969 CZ PHE A 62 -3.861 4.495 -5.052 1.00 0.00 C ATOM 0 H PHE A 62 -8.065 6.305 -3.176 1.00 0.00 H new ATOM 0 HA PHE A 62 -6.004 8.002 -2.127 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -7.283 7.781 -4.880 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.874 8.758 -4.517 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -5.525 5.931 -2.498 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.301 7.123 -6.584 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.065 4.016 -2.980 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -3.839 5.212 -7.064 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.218 3.653 -5.263 1.00 0.00 H new ATOM 979 N VAL A 63 -7.238 10.083 -1.653 1.00 0.00 N ATOM 980 CA VAL A 63 -7.878 11.370 -1.399 1.00 0.00 C ATOM 981 C VAL A 63 -7.251 12.472 -2.251 1.00 0.00 C ATOM 982 O VAL A 63 -7.770 13.586 -2.319 1.00 0.00 O ATOM 983 CB VAL A 63 -7.791 11.774 0.086 1.00 0.00 C ATOM 984 CG1 VAL A 63 -8.850 11.048 0.900 1.00 0.00 C ATOM 985 CG2 VAL A 63 -6.400 11.505 0.641 1.00 0.00 C ATOM 0 H VAL A 63 -6.467 9.864 -1.023 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.928 11.252 -1.668 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.979 12.845 0.160 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.773 11.346 1.946 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.839 11.305 0.521 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.698 9.972 0.817 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.364 11.798 1.690 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.172 10.443 0.553 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.666 12.081 0.078 1.00 0.00 H new ATOM 995 N SER A 64 -6.131 12.156 -2.900 1.00 0.00 N ATOM 996 CA SER A 64 -5.440 13.119 -3.746 1.00 0.00 C ATOM 997 C SER A 64 -4.394 12.421 -4.611 1.00 0.00 C ATOM 998 O SER A 64 -3.917 11.339 -4.273 1.00 0.00 O ATOM 999 CB SER A 64 -4.780 14.202 -2.889 1.00 0.00 C ATOM 1000 OG SER A 64 -5.121 15.497 -3.351 1.00 0.00 O ATOM 0 H SER A 64 -5.685 11.240 -2.854 1.00 0.00 H new ATOM 0 HA SER A 64 -6.173 13.589 -4.402 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.092 14.089 -1.851 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.697 14.078 -2.911 1.00 0.00 H new ATOM 0 HG SER A 64 -4.688 16.170 -2.786 1.00 0.00 H new ATOM 1006 N ALA A 65 -4.045 13.048 -5.729 1.00 0.00 N ATOM 1007 CA ALA A 65 -3.058 12.486 -6.644 1.00 0.00 C ATOM 1008 C ALA A 65 -1.732 12.214 -5.940 1.00 0.00 C ATOM 1009 O ALA A 65 -0.932 11.400 -6.400 1.00 0.00 O ATOM 1010 CB ALA A 65 -2.846 13.420 -7.826 1.00 0.00 C ATOM 0 H ALA A 65 -4.431 13.945 -6.023 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.443 11.533 -7.006 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.107 12.990 -8.502 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.788 13.555 -8.357 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.490 14.386 -7.467 1.00 0.00 H new ATOM 1016 N ASN A 66 -1.499 12.903 -4.826 1.00 0.00 N ATOM 1017 CA ASN A 66 -0.262 12.733 -4.069 1.00 0.00 C ATOM 1018 C ASN A 66 -0.528 12.235 -2.649 1.00 0.00 C ATOM 1019 O ASN A 66 0.402 11.856 -1.936 1.00 0.00 O ATOM 1020 CB ASN A 66 0.501 14.055 -4.008 1.00 0.00 C ATOM 1021 CG ASN A 66 0.908 14.587 -5.377 1.00 0.00 C ATOM 1022 OD1 ASN A 66 0.972 13.715 -6.384 1.00 0.00 O flip ATOM 1023 ND2 ASN A 66 1.164 15.782 -5.528 1.00 0.00 N flip ATOM 0 H ASN A 66 -2.148 13.582 -4.428 1.00 0.00 H new ATOM 0 HA ASN A 66 0.336 11.982 -4.585 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -0.118 14.800 -3.507 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.395 13.921 -3.399 1.00 0.00 H new ATOM 0 HD21 ASN A 66 1.105 16.420 -4.735 1.00 0.00 H new ATOM 0 HD22 ASN A 66 1.435 16.133 -6.446 1.00 0.00 H new ATOM 1030 N GLU A 67 -1.790 12.238 -2.239 1.00 0.00 N ATOM 1031 CA GLU A 67 -2.155 11.789 -0.901 1.00 0.00 C ATOM 1032 C GLU A 67 -2.840 10.426 -0.952 1.00 0.00 C ATOM 1033 O GLU A 67 -3.531 10.100 -1.918 1.00 0.00 O ATOM 1034 CB GLU A 67 -3.072 12.810 -0.227 1.00 0.00 C ATOM 1035 CG GLU A 67 -2.794 12.992 1.256 1.00 0.00 C ATOM 1036 CD GLU A 67 -3.710 14.016 1.898 1.00 0.00 C ATOM 1037 OE1 GLU A 67 -4.805 14.263 1.348 1.00 0.00 O ATOM 1038 OE2 GLU A 67 -3.334 14.572 2.952 1.00 0.00 O ATOM 0 H GLU A 67 -2.576 12.545 -2.812 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.240 11.694 -0.316 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.963 13.771 -0.729 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.108 12.498 -0.358 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.912 12.035 1.764 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.758 13.300 1.393 1.00 0.00 H new ATOM 1045 N LEU A 68 -2.633 9.633 0.094 1.00 0.00 N ATOM 1046 CA LEU A 68 -3.217 8.301 0.177 1.00 0.00 C ATOM 1047 C LEU A 68 -3.869 8.094 1.538 1.00 0.00 C ATOM 1048 O LEU A 68 -3.357 8.556 2.557 1.00 0.00 O ATOM 1049 CB LEU A 68 -2.118 7.251 -0.087 1.00 0.00 C ATOM 1050 CG LEU A 68 -2.316 5.837 0.500 1.00 0.00 C ATOM 1051 CD1 LEU A 68 -2.502 5.847 2.012 1.00 0.00 C ATOM 1052 CD2 LEU A 68 -3.487 5.149 -0.174 1.00 0.00 C ATOM 0 H LEU A 68 -2.062 9.892 0.899 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.995 8.190 -0.578 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.002 7.152 -1.166 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.178 7.645 0.300 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.402 5.278 0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.637 4.826 2.369 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.622 6.283 2.484 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.381 6.439 2.267 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.616 4.153 0.249 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.394 5.732 -0.012 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.294 5.067 -1.244 1.00 0.00 H new ATOM 1064 N HIS A 69 -4.991 7.387 1.552 1.00 0.00 N ATOM 1065 CA HIS A 69 -5.697 7.106 2.794 1.00 0.00 C ATOM 1066 C HIS A 69 -5.940 5.611 2.953 1.00 0.00 C ATOM 1067 O HIS A 69 -6.767 5.031 2.250 1.00 0.00 O ATOM 1068 CB HIS A 69 -7.028 7.853 2.848 1.00 0.00 C ATOM 1069 CG HIS A 69 -6.952 9.176 3.546 1.00 0.00 C ATOM 1070 ND1 HIS A 69 -8.067 9.870 3.963 1.00 0.00 N ATOM 1071 CD2 HIS A 69 -5.886 9.930 3.903 1.00 0.00 C ATOM 1072 CE1 HIS A 69 -7.691 10.996 4.546 1.00 0.00 C ATOM 1073 NE2 HIS A 69 -6.372 11.054 4.523 1.00 0.00 N ATOM 0 H HIS A 69 -5.431 6.998 0.718 1.00 0.00 H new ATOM 0 HA HIS A 69 -5.068 7.451 3.615 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.387 8.010 1.831 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -7.764 7.228 3.353 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -4.847 9.692 3.732 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -8.350 11.740 4.968 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -5.806 11.812 4.904 1.00 0.00 H new ATOM 1082 N HIS A 70 -5.226 4.993 3.884 1.00 0.00 N ATOM 1083 CA HIS A 70 -5.382 3.564 4.133 1.00 0.00 C ATOM 1084 C HIS A 70 -5.274 3.263 5.624 1.00 0.00 C ATOM 1085 O HIS A 70 -4.408 3.798 6.315 1.00 0.00 O ATOM 1086 CB HIS A 70 -4.357 2.755 3.315 1.00 0.00 C ATOM 1087 CG HIS A 70 -3.106 2.363 4.053 1.00 0.00 C ATOM 1088 ND1 HIS A 70 -2.926 1.722 5.234 1.00 0.00 N flip ATOM 1089 CD2 HIS A 70 -1.839 2.609 3.562 1.00 0.00 C flip ATOM 1090 CE1 HIS A 70 -1.573 1.593 5.428 1.00 0.00 C flip ATOM 1091 NE2 HIS A 70 -0.941 2.135 4.405 1.00 0.00 N flip ATOM 0 H HIS A 70 -4.536 5.455 4.477 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.377 3.261 3.807 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -4.842 1.850 2.950 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -4.074 3.339 2.440 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -1.617 3.111 2.632 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -1.103 1.124 6.280 1.00 0.00 H new ATOM 0 HE2 HIS A 70 0.071 2.180 4.286 1.00 0.00 H new ATOM 1100 N GLY A 71 -6.166 2.409 6.117 1.00 0.00 N ATOM 1101 CA GLY A 71 -6.156 2.060 7.525 1.00 0.00 C ATOM 1102 C GLY A 71 -6.250 3.284 8.417 1.00 0.00 C ATOM 1103 O GLY A 71 -5.842 3.249 9.578 1.00 0.00 O ATOM 0 H GLY A 71 -6.894 1.953 5.567 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.990 1.392 7.738 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.242 1.513 7.756 1.00 0.00 H new ATOM 1107 N GLY A 72 -6.787 4.370 7.867 1.00 0.00 N ATOM 1108 CA GLY A 72 -6.921 5.597 8.627 1.00 0.00 C ATOM 1109 C GLY A 72 -5.625 6.382 8.697 1.00 0.00 C ATOM 1110 O GLY A 72 -5.435 7.194 9.603 1.00 0.00 O ATOM 0 H GLY A 72 -7.131 4.420 6.908 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.694 6.218 8.175 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.253 5.360 9.638 1.00 0.00 H new ATOM 1114 N MET A 73 -4.728 6.138 7.745 1.00 0.00 N ATOM 1115 CA MET A 73 -3.448 6.827 7.714 1.00 0.00 C ATOM 1116 C MET A 73 -3.352 7.750 6.506 1.00 0.00 C ATOM 1117 O MET A 73 -4.127 7.631 5.559 1.00 0.00 O ATOM 1118 CB MET A 73 -2.310 5.807 7.672 1.00 0.00 C ATOM 1119 CG MET A 73 -1.679 5.546 9.027 1.00 0.00 C ATOM 1120 SD MET A 73 -2.516 4.238 9.944 1.00 0.00 S ATOM 1121 CE MET A 73 -2.837 5.066 11.499 1.00 0.00 C ATOM 0 H MET A 73 -4.867 5.469 6.988 1.00 0.00 H new ATOM 0 HA MET A 73 -3.366 7.432 8.617 1.00 0.00 H new ATOM 0 HB2 MET A 73 -2.690 4.868 7.270 1.00 0.00 H new ATOM 0 HB3 MET A 73 -1.542 6.160 6.984 1.00 0.00 H new ATOM 0 HG2 MET A 73 -0.632 5.275 8.890 1.00 0.00 H new ATOM 0 HG3 MET A 73 -1.696 6.464 9.614 1.00 0.00 H new ATOM 0 HE1 MET A 73 -3.352 4.384 12.175 1.00 0.00 H new ATOM 0 HE2 MET A 73 -1.893 5.377 11.947 1.00 0.00 H new ATOM 0 HE3 MET A 73 -3.461 5.942 11.323 1.00 0.00 H new ATOM 1131 N THR A 74 -2.386 8.658 6.542 1.00 0.00 N ATOM 1132 CA THR A 74 -2.172 9.591 5.442 1.00 0.00 C ATOM 1133 C THR A 74 -0.792 9.376 4.838 1.00 0.00 C ATOM 1134 O THR A 74 0.224 9.706 5.449 1.00 0.00 O ATOM 1135 CB THR A 74 -2.315 11.037 5.919 1.00 0.00 C ATOM 1136 OG1 THR A 74 -3.449 11.178 6.758 1.00 0.00 O ATOM 1137 CG2 THR A 74 -2.457 12.026 4.783 1.00 0.00 C ATOM 0 H THR A 74 -1.737 8.769 7.321 1.00 0.00 H new ATOM 0 HA THR A 74 -2.930 9.404 4.681 1.00 0.00 H new ATOM 0 HB THR A 74 -1.395 11.258 6.460 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.523 12.109 7.054 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.554 13.033 5.188 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.575 11.975 4.144 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.344 11.783 4.198 1.00 0.00 H new ATOM 1145 N PHE A 75 -0.764 8.801 3.644 1.00 0.00 N ATOM 1146 CA PHE A 75 0.490 8.519 2.962 1.00 0.00 C ATOM 1147 C PHE A 75 0.686 9.434 1.758 1.00 0.00 C ATOM 1148 O PHE A 75 -0.172 9.519 0.881 1.00 0.00 O ATOM 1149 CB PHE A 75 0.513 7.055 2.528 1.00 0.00 C ATOM 1150 CG PHE A 75 0.923 6.117 3.621 1.00 0.00 C ATOM 1151 CD1 PHE A 75 2.263 5.877 3.880 1.00 0.00 C ATOM 1152 CD2 PHE A 75 -0.033 5.472 4.392 1.00 0.00 C ATOM 1153 CE1 PHE A 75 2.641 5.015 4.888 1.00 0.00 C ATOM 1154 CE2 PHE A 75 0.342 4.610 5.403 1.00 0.00 C ATOM 1155 CZ PHE A 75 1.680 4.380 5.652 1.00 0.00 C ATOM 0 H PHE A 75 -1.597 8.520 3.127 1.00 0.00 H new ATOM 0 HA PHE A 75 1.311 8.707 3.654 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.478 6.774 2.171 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.198 6.944 1.688 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.019 6.370 3.287 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.081 5.646 4.199 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.689 4.836 5.081 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.411 4.116 5.999 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.975 3.705 6.442 1.00 0.00 H new ATOM 1165 N TYR A 76 1.828 10.111 1.722 1.00 0.00 N ATOM 1166 CA TYR A 76 2.150 11.014 0.625 1.00 0.00 C ATOM 1167 C TYR A 76 3.163 10.368 -0.309 1.00 0.00 C ATOM 1168 O TYR A 76 4.031 9.612 0.130 1.00 0.00 O ATOM 1169 CB TYR A 76 2.698 12.337 1.164 1.00 0.00 C ATOM 1170 CG TYR A 76 1.870 12.918 2.286 1.00 0.00 C ATOM 1171 CD1 TYR A 76 1.962 12.413 3.575 1.00 0.00 C ATOM 1172 CD2 TYR A 76 0.995 13.971 2.053 1.00 0.00 C ATOM 1173 CE1 TYR A 76 1.206 12.940 4.602 1.00 0.00 C ATOM 1174 CE2 TYR A 76 0.233 14.504 3.077 1.00 0.00 C ATOM 1175 CZ TYR A 76 0.342 13.984 4.348 1.00 0.00 C ATOM 1176 OH TYR A 76 -0.413 14.512 5.371 1.00 0.00 O ATOM 0 H TYR A 76 2.548 10.051 2.442 1.00 0.00 H new ATOM 0 HA TYR A 76 1.237 11.218 0.066 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.717 12.182 1.518 1.00 0.00 H new ATOM 0 HB3 TYR A 76 2.749 13.059 0.349 1.00 0.00 H new ATOM 0 HD1 TYR A 76 2.636 11.594 3.778 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.908 14.380 1.057 1.00 0.00 H new ATOM 0 HE1 TYR A 76 1.291 12.537 5.600 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.443 15.323 2.881 1.00 0.00 H new ATOM 0 HH TYR A 76 -0.969 15.241 5.025 1.00 0.00 H new ATOM 1186 N ARG A 77 3.041 10.654 -1.598 1.00 0.00 N ATOM 1187 CA ARG A 77 3.945 10.081 -2.586 1.00 0.00 C ATOM 1188 C ARG A 77 5.336 10.694 -2.507 1.00 0.00 C ATOM 1189 O ARG A 77 5.484 11.905 -2.381 1.00 0.00 O ATOM 1190 CB ARG A 77 3.396 10.267 -3.996 1.00 0.00 C ATOM 1191 CG ARG A 77 3.964 9.281 -5.003 1.00 0.00 C ATOM 1192 CD ARG A 77 3.181 7.977 -5.016 1.00 0.00 C ATOM 1193 NE ARG A 77 2.466 7.786 -6.274 1.00 0.00 N ATOM 1194 CZ ARG A 77 3.062 7.479 -7.426 1.00 0.00 C ATOM 1195 NH1 ARG A 77 4.380 7.336 -7.482 1.00 0.00 N ATOM 1196 NH2 ARG A 77 2.337 7.318 -8.525 1.00 0.00 N ATOM 0 H ARG A 77 2.329 11.276 -1.983 1.00 0.00 H new ATOM 0 HA ARG A 77 4.022 9.017 -2.360 1.00 0.00 H new ATOM 0 HB2 ARG A 77 2.311 10.164 -3.971 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.613 11.281 -4.331 1.00 0.00 H new ATOM 0 HG2 ARG A 77 3.946 9.726 -5.998 1.00 0.00 H new ATOM 0 HG3 ARG A 77 5.008 9.077 -4.764 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.863 7.142 -4.855 1.00 0.00 H new ATOM 0 HD3 ARG A 77 2.470 7.972 -4.190 1.00 0.00 H new ATOM 0 HE ARG A 77 1.452 7.894 -6.271 1.00 0.00 H new ATOM 0 HH11 ARG A 77 4.943 7.461 -6.641 1.00 0.00 H new ATOM 0 HH12 ARG A 77 4.830 7.101 -8.367 1.00 0.00 H new ATOM 0 HH21 ARG A 77 1.324 7.429 -8.488 1.00 0.00 H new ATOM 0 HH22 ARG A 77 2.793 7.083 -9.407 1.00 0.00 H new ATOM 1210 N GLU A 78 6.335 9.822 -2.616 1.00 0.00 N ATOM 1211 CA GLU A 78 7.758 10.175 -2.595 1.00 0.00 C ATOM 1212 C GLU A 78 8.114 11.216 -1.525 1.00 0.00 C ATOM 1213 O GLU A 78 9.003 10.983 -0.705 1.00 0.00 O ATOM 1214 CB GLU A 78 8.202 10.603 -4.004 1.00 0.00 C ATOM 1215 CG GLU A 78 8.736 12.029 -4.132 1.00 0.00 C ATOM 1216 CD GLU A 78 7.636 13.050 -4.350 1.00 0.00 C ATOM 1217 OE1 GLU A 78 6.646 12.718 -5.036 1.00 0.00 O ATOM 1218 OE2 GLU A 78 7.765 14.180 -3.837 1.00 0.00 O ATOM 0 H GLU A 78 6.176 8.820 -2.725 1.00 0.00 H new ATOM 0 HA GLU A 78 8.317 9.285 -2.305 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.975 9.914 -4.345 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.355 10.491 -4.680 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.291 12.287 -3.230 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.439 12.076 -4.964 1.00 0.00 H new