USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 657 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 75 GLN : amide:sc= 1.01 K(o=1,f=-0.086) USER MOD Set 1.2: A 76 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 25 THR OG1 : rot -140:sc= -2.94! USER MOD Set 2.2: A 28 THR OG1 : rot 64:sc= 0.0234 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= -0.0177 (180deg=-0.0177) USER MOD Single : A 18 GLN : amide:sc= -6.4! C(o=-6.4!,f=-6.4!) USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 140:sc= -0.176 USER MOD Single : A 31 GLN : amide:sc= -0.337 X(o=-0.34,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.357 K(o=-0.36,f=-1.7) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.00735 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0181 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 88:sc= 0.0577 USER MOD Single : A 59 HIS : no HD1:sc= -0.0166 X(o=-0.017,f=-0.23) USER MOD Single : A 63 HIS : no HD1:sc= -2.61! C(o=-2.6!,f=-2.6!) USER MOD Single : A 65 ASN : amide:sc= -3.8! C(o=-3.8!,f=-6.7!) USER MOD Single : A 69 SER OG : rot 89:sc= -0.0724 USER MOD Single : A 71 ASN : amide:sc= -2.91 K(o=-2.9,f=-3.6!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= -0.071 USER MOD Single : A 81 GLN : amide:sc= -1.84! K(o=-1.8!,f=-0.052) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 6.312 11.715 -3.124 1.00 0.00 N ATOM 60 CA GLY A 7 4.938 11.255 -3.203 1.00 0.00 C ATOM 61 C GLY A 7 4.240 11.280 -1.857 1.00 0.00 C ATOM 62 O GLY A 7 4.764 11.831 -0.890 1.00 0.00 O ATOM 0 HA2 GLY A 7 4.388 11.881 -3.906 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.920 10.240 -3.599 1.00 0.00 H new ATOM 66 N MET A 8 3.055 10.683 -1.796 1.00 0.00 N ATOM 67 CA MET A 8 2.284 10.639 -0.558 1.00 0.00 C ATOM 68 C MET A 8 2.625 9.392 0.251 1.00 0.00 C ATOM 69 O MET A 8 2.930 8.341 -0.312 1.00 0.00 O ATOM 70 CB MET A 8 0.786 10.670 -0.864 1.00 0.00 C ATOM 71 CG MET A 8 0.307 11.999 -1.426 1.00 0.00 C ATOM 72 SD MET A 8 -1.480 12.204 -1.297 1.00 0.00 S ATOM 73 CE MET A 8 -1.635 12.757 0.400 1.00 0.00 C ATOM 0 H MET A 8 2.607 10.223 -2.589 1.00 0.00 H new ATOM 0 HA MET A 8 2.544 11.516 0.034 1.00 0.00 H new ATOM 0 HB2 MET A 8 0.553 9.879 -1.576 1.00 0.00 H new ATOM 0 HB3 MET A 8 0.233 10.450 0.049 1.00 0.00 H new ATOM 0 HG2 MET A 8 0.801 12.813 -0.895 1.00 0.00 H new ATOM 0 HG3 MET A 8 0.603 12.074 -2.472 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.686 12.927 0.633 1.00 0.00 H new ATOM 0 HE2 MET A 8 -1.234 11.995 1.069 1.00 0.00 H new ATOM 0 HE3 MET A 8 -1.079 13.685 0.532 1.00 0.00 H new ATOM 83 N GLU A 9 2.571 9.516 1.573 1.00 0.00 N ATOM 84 CA GLU A 9 2.875 8.398 2.458 1.00 0.00 C ATOM 85 C GLU A 9 1.602 7.845 3.093 1.00 0.00 C ATOM 86 O GLU A 9 0.702 8.598 3.464 1.00 0.00 O ATOM 87 CB GLU A 9 3.854 8.834 3.550 1.00 0.00 C ATOM 88 CG GLU A 9 5.127 9.465 3.009 1.00 0.00 C ATOM 89 CD GLU A 9 4.964 10.943 2.711 1.00 0.00 C ATOM 90 OE1 GLU A 9 4.057 11.570 3.296 1.00 0.00 O ATOM 91 OE2 GLU A 9 5.746 11.472 1.893 1.00 0.00 O ATOM 0 H GLU A 9 2.320 10.379 2.055 1.00 0.00 H new ATOM 0 HA GLU A 9 3.335 7.611 1.861 1.00 0.00 H new ATOM 0 HB2 GLU A 9 3.357 9.546 4.209 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.117 7.968 4.157 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.931 9.331 3.733 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.427 8.946 2.099 1.00 0.00 H new ATOM 98 N LEU A 10 1.535 6.523 3.213 1.00 0.00 N ATOM 99 CA LEU A 10 0.373 5.867 3.803 1.00 0.00 C ATOM 100 C LEU A 10 0.773 5.042 5.021 1.00 0.00 C ATOM 101 O LEU A 10 1.598 4.132 4.925 1.00 0.00 O ATOM 102 CB LEU A 10 -0.311 4.972 2.768 1.00 0.00 C ATOM 103 CG LEU A 10 -1.770 4.611 3.052 1.00 0.00 C ATOM 104 CD1 LEU A 10 -2.650 5.850 2.980 1.00 0.00 C ATOM 105 CD2 LEU A 10 -2.257 3.551 2.075 1.00 0.00 C ATOM 0 H LEU A 10 2.271 5.885 2.910 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.325 6.639 4.125 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.263 5.469 1.799 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.261 4.048 2.682 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.834 4.203 4.061 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.684 5.574 3.185 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.315 6.577 3.720 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.582 6.288 1.984 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.297 3.306 2.292 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.179 3.931 1.057 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.645 2.655 2.176 1.00 0.00 H new ATOM 117 N LYS A 11 0.182 5.363 6.167 1.00 0.00 N ATOM 118 CA LYS A 11 0.473 4.649 7.405 1.00 0.00 C ATOM 119 C LYS A 11 -0.404 3.408 7.537 1.00 0.00 C ATOM 120 O LYS A 11 -1.610 3.510 7.762 1.00 0.00 O ATOM 121 CB LYS A 11 0.260 5.568 8.610 1.00 0.00 C ATOM 122 CG LYS A 11 1.374 6.582 8.805 1.00 0.00 C ATOM 123 CD LYS A 11 1.389 7.616 7.692 1.00 0.00 C ATOM 124 CE LYS A 11 1.929 8.952 8.179 1.00 0.00 C ATOM 125 NZ LYS A 11 3.416 9.002 8.125 1.00 0.00 N ATOM 0 H LYS A 11 -0.502 6.113 6.264 1.00 0.00 H new ATOM 0 HA LYS A 11 1.516 4.333 7.376 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.685 6.097 8.490 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.172 4.959 9.510 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.248 7.082 9.765 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.334 6.067 8.837 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.001 7.254 6.866 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.379 7.750 7.305 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.516 9.755 7.568 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.597 9.127 9.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.745 9.928 8.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.811 8.252 8.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.733 8.861 7.145 1.00 0.00 H new ATOM 139 N VAL A 12 0.209 2.238 7.397 1.00 0.00 N ATOM 140 CA VAL A 12 -0.516 0.977 7.504 1.00 0.00 C ATOM 141 C VAL A 12 0.166 0.032 8.487 1.00 0.00 C ATOM 142 O VAL A 12 1.356 -0.259 8.360 1.00 0.00 O ATOM 143 CB VAL A 12 -0.633 0.280 6.136 1.00 0.00 C ATOM 144 CG1 VAL A 12 -1.561 -0.922 6.226 1.00 0.00 C ATOM 145 CG2 VAL A 12 -1.118 1.260 5.078 1.00 0.00 C ATOM 0 H VAL A 12 1.206 2.136 7.209 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.515 1.216 7.869 1.00 0.00 H new ATOM 0 HB VAL A 12 0.355 -0.075 5.844 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.631 -1.401 5.250 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.166 -1.633 6.952 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.552 -0.594 6.541 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.195 0.750 4.118 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.096 1.648 5.362 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.411 2.085 4.995 1.00 0.00 H new ATOM 155 N TRP A 13 -0.594 -0.444 9.466 1.00 0.00 N ATOM 156 CA TRP A 13 -0.063 -1.357 10.471 1.00 0.00 C ATOM 157 C TRP A 13 0.009 -2.780 9.930 1.00 0.00 C ATOM 158 O TRP A 13 -1.011 -3.458 9.802 1.00 0.00 O ATOM 159 CB TRP A 13 -0.929 -1.320 11.731 1.00 0.00 C ATOM 160 CG TRP A 13 -0.803 -0.041 12.502 1.00 0.00 C ATOM 161 CD1 TRP A 13 -1.478 1.124 12.273 1.00 0.00 C ATOM 162 CD2 TRP A 13 0.052 0.202 13.624 1.00 0.00 C ATOM 163 NE1 TRP A 13 -1.094 2.077 13.186 1.00 0.00 N ATOM 164 CE2 TRP A 13 -0.157 1.536 14.026 1.00 0.00 C ATOM 165 CE3 TRP A 13 0.973 -0.577 14.330 1.00 0.00 C ATOM 166 CZ2 TRP A 13 0.522 2.105 15.100 1.00 0.00 C ATOM 167 CZ3 TRP A 13 1.646 -0.011 15.396 1.00 0.00 C ATOM 168 CH2 TRP A 13 1.417 1.319 15.773 1.00 0.00 C ATOM 0 H TRP A 13 -1.580 -0.213 9.585 1.00 0.00 H new ATOM 0 HA TRP A 13 0.947 -1.033 10.723 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -1.972 -1.465 11.450 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -0.654 -2.154 12.377 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -2.206 1.274 11.490 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -1.449 3.032 13.231 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.155 -1.603 14.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 0.348 3.130 15.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.361 -0.604 15.948 1.00 0.00 H new ATOM 0 HH2 TRP A 13 1.958 1.732 16.612 1.00 0.00 H new ATOM 179 N VAL A 14 1.220 -3.229 9.614 1.00 0.00 N ATOM 180 CA VAL A 14 1.424 -4.573 9.087 1.00 0.00 C ATOM 181 C VAL A 14 2.122 -5.463 10.109 1.00 0.00 C ATOM 182 O VAL A 14 3.172 -5.107 10.643 1.00 0.00 O ATOM 183 CB VAL A 14 2.256 -4.548 7.791 1.00 0.00 C ATOM 184 CG1 VAL A 14 2.479 -5.960 7.272 1.00 0.00 C ATOM 185 CG2 VAL A 14 1.576 -3.685 6.739 1.00 0.00 C ATOM 0 H VAL A 14 2.075 -2.681 9.714 1.00 0.00 H new ATOM 0 HA VAL A 14 0.437 -4.980 8.868 1.00 0.00 H new ATOM 0 HB VAL A 14 3.230 -4.111 8.013 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.069 -5.922 6.356 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.012 -6.544 8.023 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.517 -6.428 7.065 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.177 -3.678 5.830 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.589 -4.091 6.518 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.474 -2.667 7.114 1.00 0.00 H new ATOM 195 N ASP A 15 1.532 -6.623 10.376 1.00 0.00 N ATOM 196 CA ASP A 15 2.098 -7.566 11.333 1.00 0.00 C ATOM 197 C ASP A 15 2.403 -6.877 12.660 1.00 0.00 C ATOM 198 O ASP A 15 3.415 -7.159 13.299 1.00 0.00 O ATOM 199 CB ASP A 15 3.371 -8.198 10.768 1.00 0.00 C ATOM 200 CG ASP A 15 3.077 -9.300 9.769 1.00 0.00 C ATOM 201 OD1 ASP A 15 2.735 -8.977 8.613 1.00 0.00 O ATOM 202 OD2 ASP A 15 3.187 -10.486 10.145 1.00 0.00 O ATOM 0 H ASP A 15 0.662 -6.933 9.943 1.00 0.00 H new ATOM 0 HA ASP A 15 1.362 -8.349 11.512 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.973 -7.427 10.287 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.966 -8.603 11.586 1.00 0.00 H new ATOM 207 N GLY A 16 1.519 -5.971 13.067 1.00 0.00 N ATOM 208 CA GLY A 16 1.712 -5.255 14.314 1.00 0.00 C ATOM 209 C GLY A 16 2.883 -4.293 14.256 1.00 0.00 C ATOM 210 O GLY A 16 3.432 -3.909 15.288 1.00 0.00 O ATOM 0 H GLY A 16 0.673 -5.720 12.555 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.804 -4.703 14.556 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.874 -5.971 15.119 1.00 0.00 H new ATOM 214 N VAL A 17 3.267 -3.905 13.044 1.00 0.00 N ATOM 215 CA VAL A 17 4.381 -2.983 12.854 1.00 0.00 C ATOM 216 C VAL A 17 4.023 -1.887 11.856 1.00 0.00 C ATOM 217 O VAL A 17 3.373 -2.145 10.844 1.00 0.00 O ATOM 218 CB VAL A 17 5.641 -3.719 12.362 1.00 0.00 C ATOM 219 CG1 VAL A 17 6.782 -2.737 12.144 1.00 0.00 C ATOM 220 CG2 VAL A 17 6.043 -4.805 13.349 1.00 0.00 C ATOM 0 H VAL A 17 2.823 -4.215 12.179 1.00 0.00 H new ATOM 0 HA VAL A 17 4.589 -2.533 13.825 1.00 0.00 H new ATOM 0 HB VAL A 17 5.414 -4.193 11.407 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.664 -3.275 11.796 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.489 -1.999 11.397 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.012 -2.232 13.082 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.935 -5.315 12.985 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.252 -4.355 14.320 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.230 -5.524 13.450 1.00 0.00 H new ATOM 230 N GLN A 18 4.454 -0.664 12.149 1.00 0.00 N ATOM 231 CA GLN A 18 4.178 0.471 11.277 1.00 0.00 C ATOM 232 C GLN A 18 5.039 0.413 10.019 1.00 0.00 C ATOM 233 O GLN A 18 6.247 0.189 10.092 1.00 0.00 O ATOM 234 CB GLN A 18 4.428 1.784 12.020 1.00 0.00 C ATOM 235 CG GLN A 18 3.753 2.985 11.377 1.00 0.00 C ATOM 236 CD GLN A 18 2.296 3.118 11.776 1.00 0.00 C ATOM 237 OE1 GLN A 18 1.881 2.628 12.827 1.00 0.00 O ATOM 238 NE2 GLN A 18 1.511 3.783 10.937 1.00 0.00 N ATOM 0 H GLN A 18 4.995 -0.434 12.983 1.00 0.00 H new ATOM 0 HA GLN A 18 3.130 0.423 10.981 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.073 1.684 13.046 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.502 1.965 12.070 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.287 3.892 11.660 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.823 2.899 10.293 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.897 4.172 10.077 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.521 3.905 11.152 1.00 0.00 H new ATOM 247 N ARG A 19 4.409 0.615 8.867 1.00 0.00 N ATOM 248 CA ARG A 19 5.117 0.584 7.593 1.00 0.00 C ATOM 249 C ARG A 19 4.733 1.781 6.728 1.00 0.00 C ATOM 250 O ARG A 19 3.591 1.896 6.283 1.00 0.00 O ATOM 251 CB ARG A 19 4.812 -0.717 6.847 1.00 0.00 C ATOM 252 CG ARG A 19 5.394 -1.952 7.514 1.00 0.00 C ATOM 253 CD ARG A 19 6.887 -2.075 7.253 1.00 0.00 C ATOM 254 NE ARG A 19 7.488 -3.168 8.012 1.00 0.00 N ATOM 255 CZ ARG A 19 8.795 -3.402 8.055 1.00 0.00 C ATOM 256 NH1 ARG A 19 9.633 -2.623 7.386 1.00 0.00 N ATOM 257 NH2 ARG A 19 9.265 -4.417 8.769 1.00 0.00 N ATOM 0 H ARG A 19 3.409 0.802 8.789 1.00 0.00 H new ATOM 0 HA ARG A 19 6.186 0.635 7.799 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.731 -0.834 6.765 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.203 -0.644 5.832 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.214 -1.906 8.588 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.884 -2.841 7.143 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.057 -2.237 6.189 1.00 0.00 H new ATOM 0 HD3 ARG A 19 7.379 -1.138 7.515 1.00 0.00 H new ATOM 0 HE ARG A 19 6.870 -3.786 8.538 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.275 -1.842 6.837 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.636 -2.805 7.421 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.623 -5.018 9.285 1.00 0.00 H new ATOM 0 HH22 ARG A 19 10.269 -4.596 8.802 1.00 0.00 H new ATOM 271 N ILE A 20 5.694 2.668 6.494 1.00 0.00 N ATOM 272 CA ILE A 20 5.457 3.855 5.682 1.00 0.00 C ATOM 273 C ILE A 20 5.773 3.589 4.215 1.00 0.00 C ATOM 274 O ILE A 20 6.920 3.325 3.853 1.00 0.00 O ATOM 275 CB ILE A 20 6.299 5.048 6.170 1.00 0.00 C ATOM 276 CG1 ILE A 20 5.998 5.346 7.640 1.00 0.00 C ATOM 277 CG2 ILE A 20 6.030 6.273 5.310 1.00 0.00 C ATOM 278 CD1 ILE A 20 4.556 5.723 7.897 1.00 0.00 C ATOM 0 H ILE A 20 6.644 2.587 6.855 1.00 0.00 H new ATOM 0 HA ILE A 20 4.400 4.102 5.784 1.00 0.00 H new ATOM 0 HB ILE A 20 7.354 4.790 6.080 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.248 4.470 8.239 1.00 0.00 H new ATOM 0 HG13 ILE A 20 6.643 6.157 7.977 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.633 7.108 5.668 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.290 6.055 4.274 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.974 6.536 5.371 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.415 5.920 8.960 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.306 6.617 7.326 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.906 4.904 7.591 1.00 0.00 H new ATOM 290 N VAL A 21 4.748 3.663 3.371 1.00 0.00 N ATOM 291 CA VAL A 21 4.917 3.434 1.941 1.00 0.00 C ATOM 292 C VAL A 21 5.267 4.728 1.215 1.00 0.00 C ATOM 293 O VAL A 21 4.662 5.772 1.461 1.00 0.00 O ATOM 294 CB VAL A 21 3.645 2.834 1.315 1.00 0.00 C ATOM 295 CG1 VAL A 21 3.828 2.636 -0.182 1.00 0.00 C ATOM 296 CG2 VAL A 21 3.285 1.521 1.994 1.00 0.00 C ATOM 0 H VAL A 21 3.792 3.880 3.653 1.00 0.00 H new ATOM 0 HA VAL A 21 5.737 2.725 1.828 1.00 0.00 H new ATOM 0 HB VAL A 21 2.823 3.533 1.467 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.919 2.211 -0.607 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.034 3.597 -0.654 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.663 1.958 -0.360 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.383 1.111 1.539 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.105 0.813 1.875 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.108 1.697 3.055 1.00 0.00 H new ATOM 306 N CYS A 22 6.244 4.651 0.319 1.00 0.00 N ATOM 307 CA CYS A 22 6.675 5.817 -0.445 1.00 0.00 C ATOM 308 C CYS A 22 6.347 5.649 -1.925 1.00 0.00 C ATOM 309 O CYS A 22 6.229 4.530 -2.422 1.00 0.00 O ATOM 310 CB CYS A 22 8.177 6.043 -0.266 1.00 0.00 C ATOM 311 SG CYS A 22 8.601 7.104 1.136 1.00 0.00 S ATOM 0 H CYS A 22 6.753 3.794 0.103 1.00 0.00 H new ATOM 0 HA CYS A 22 6.136 6.687 -0.068 1.00 0.00 H new ATOM 0 HB2 CYS A 22 8.666 5.077 -0.138 1.00 0.00 H new ATOM 0 HB3 CYS A 22 8.578 6.486 -1.178 1.00 0.00 H new ATOM 0 HG CYS A 22 9.893 7.234 1.207 1.00 0.00 H new ATOM 317 N GLY A 23 6.198 6.771 -2.623 1.00 0.00 N ATOM 318 CA GLY A 23 5.882 6.726 -4.039 1.00 0.00 C ATOM 319 C GLY A 23 4.434 6.363 -4.299 1.00 0.00 C ATOM 320 O GLY A 23 4.129 5.637 -5.245 1.00 0.00 O ATOM 0 H GLY A 23 6.290 7.709 -2.234 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.096 7.696 -4.487 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.529 5.999 -4.530 1.00 0.00 H new ATOM 324 N VAL A 24 3.538 6.869 -3.457 1.00 0.00 N ATOM 325 CA VAL A 24 2.114 6.593 -3.600 1.00 0.00 C ATOM 326 C VAL A 24 1.373 7.804 -4.155 1.00 0.00 C ATOM 327 O VAL A 24 1.328 8.862 -3.526 1.00 0.00 O ATOM 328 CB VAL A 24 1.482 6.191 -2.254 1.00 0.00 C ATOM 329 CG1 VAL A 24 0.005 5.873 -2.431 1.00 0.00 C ATOM 330 CG2 VAL A 24 2.223 5.007 -1.651 1.00 0.00 C ATOM 0 H VAL A 24 3.774 7.472 -2.669 1.00 0.00 H new ATOM 0 HA VAL A 24 2.021 5.762 -4.299 1.00 0.00 H new ATOM 0 HB VAL A 24 1.567 7.032 -1.566 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.424 5.591 -1.470 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.513 6.752 -2.816 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.108 5.048 -3.135 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.764 4.736 -0.700 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.171 4.159 -2.334 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.266 5.276 -1.486 1.00 0.00 H new ATOM 340 N THR A 25 0.790 7.643 -5.340 1.00 0.00 N ATOM 341 CA THR A 25 0.051 8.723 -5.981 1.00 0.00 C ATOM 342 C THR A 25 -1.450 8.460 -5.943 1.00 0.00 C ATOM 343 O THR A 25 -1.890 7.381 -5.546 1.00 0.00 O ATOM 344 CB THR A 25 0.490 8.912 -7.445 1.00 0.00 C ATOM 345 OG1 THR A 25 0.057 7.799 -8.235 1.00 0.00 O ATOM 346 CG2 THR A 25 2.002 9.052 -7.543 1.00 0.00 C ATOM 0 H THR A 25 0.816 6.775 -5.874 1.00 0.00 H new ATOM 0 HA THR A 25 0.272 9.632 -5.422 1.00 0.00 H new ATOM 0 HB THR A 25 0.031 9.825 -7.823 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.760 7.558 -8.874 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.288 9.184 -8.586 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.325 9.918 -6.965 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.477 8.154 -7.148 1.00 0.00 H new ATOM 354 N GLU A 26 -2.231 9.452 -6.358 1.00 0.00 N ATOM 355 CA GLU A 26 -3.684 9.326 -6.370 1.00 0.00 C ATOM 356 C GLU A 26 -4.132 8.303 -7.409 1.00 0.00 C ATOM 357 O GLU A 26 -5.046 7.514 -7.166 1.00 0.00 O ATOM 358 CB GLU A 26 -4.333 10.681 -6.660 1.00 0.00 C ATOM 359 CG GLU A 26 -5.742 10.812 -6.107 1.00 0.00 C ATOM 360 CD GLU A 26 -6.600 11.766 -6.915 1.00 0.00 C ATOM 361 OE1 GLU A 26 -6.500 12.990 -6.691 1.00 0.00 O ATOM 362 OE2 GLU A 26 -7.371 11.287 -7.772 1.00 0.00 O ATOM 0 H GLU A 26 -1.883 10.351 -6.690 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.002 8.982 -5.386 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.711 11.470 -6.237 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.359 10.839 -7.738 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.214 9.830 -6.090 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.692 11.159 -5.075 1.00 0.00 H new ATOM 369 N VAL A 27 -3.482 8.321 -8.569 1.00 0.00 N ATOM 370 CA VAL A 27 -3.813 7.395 -9.645 1.00 0.00 C ATOM 371 C VAL A 27 -3.684 5.947 -9.184 1.00 0.00 C ATOM 372 O VAL A 27 -4.227 5.034 -9.806 1.00 0.00 O ATOM 373 CB VAL A 27 -2.908 7.614 -10.872 1.00 0.00 C ATOM 374 CG1 VAL A 27 -3.256 8.922 -11.566 1.00 0.00 C ATOM 375 CG2 VAL A 27 -1.442 7.591 -10.463 1.00 0.00 C ATOM 0 H VAL A 27 -2.723 8.967 -8.787 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.848 7.593 -9.926 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.078 6.800 -11.577 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.606 9.059 -12.430 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.295 8.895 -11.894 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.116 9.751 -10.872 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.817 7.747 -11.342 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.254 8.383 -9.738 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.204 6.626 -10.015 1.00 0.00 H new ATOM 385 N THR A 28 -2.960 5.744 -8.087 1.00 0.00 N ATOM 386 CA THR A 28 -2.759 4.408 -7.542 1.00 0.00 C ATOM 387 C THR A 28 -4.044 3.865 -6.927 1.00 0.00 C ATOM 388 O THR A 28 -4.852 4.619 -6.383 1.00 0.00 O ATOM 389 CB THR A 28 -1.648 4.398 -6.474 1.00 0.00 C ATOM 390 OG1 THR A 28 -0.400 4.781 -7.062 1.00 0.00 O ATOM 391 CG2 THR A 28 -1.516 3.020 -5.843 1.00 0.00 C ATOM 0 H THR A 28 -2.504 6.488 -7.559 1.00 0.00 H new ATOM 0 HA THR A 28 -2.460 3.770 -8.373 1.00 0.00 H new ATOM 0 HB THR A 28 -1.916 5.112 -5.695 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.460 5.704 -7.385 1.00 0.00 H new ATOM 0 HG21 THR A 28 -0.726 3.038 -5.092 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.459 2.744 -5.371 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.269 2.289 -6.613 1.00 0.00 H new ATOM 399 N THR A 29 -4.228 2.551 -7.015 1.00 0.00 N ATOM 400 CA THR A 29 -5.415 1.907 -6.467 1.00 0.00 C ATOM 401 C THR A 29 -5.100 1.196 -5.157 1.00 0.00 C ATOM 402 O THR A 29 -3.941 0.897 -4.865 1.00 0.00 O ATOM 403 CB THR A 29 -6.011 0.891 -7.460 1.00 0.00 C ATOM 404 OG1 THR A 29 -5.059 -0.142 -7.734 1.00 0.00 O ATOM 405 CG2 THR A 29 -6.413 1.575 -8.758 1.00 0.00 C ATOM 0 H THR A 29 -3.570 1.912 -7.461 1.00 0.00 H new ATOM 0 HA THR A 29 -6.145 2.695 -6.282 1.00 0.00 H new ATOM 0 HB THR A 29 -6.901 0.453 -7.008 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.446 -0.785 -8.365 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.831 0.838 -9.443 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.160 2.341 -8.549 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.537 2.037 -9.212 1.00 0.00 H new ATOM 413 N CYS A 30 -6.137 0.926 -4.371 1.00 0.00 N ATOM 414 CA CYS A 30 -5.970 0.248 -3.090 1.00 0.00 C ATOM 415 C CYS A 30 -5.209 -1.062 -3.264 1.00 0.00 C ATOM 416 O CYS A 30 -4.625 -1.582 -2.313 1.00 0.00 O ATOM 417 CB CYS A 30 -7.332 -0.020 -2.450 1.00 0.00 C ATOM 418 SG CYS A 30 -8.078 1.430 -1.668 1.00 0.00 S ATOM 0 H CYS A 30 -7.102 1.166 -4.598 1.00 0.00 H new ATOM 0 HA CYS A 30 -5.391 0.899 -2.435 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -8.012 -0.398 -3.213 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -7.222 -0.806 -1.703 1.00 0.00 H new ATOM 0 HG CYS A 30 -9.355 1.446 -1.912 1.00 0.00 H new ATOM 424 N GLN A 31 -5.222 -1.591 -4.483 1.00 0.00 N ATOM 425 CA GLN A 31 -4.534 -2.842 -4.780 1.00 0.00 C ATOM 426 C GLN A 31 -3.037 -2.613 -4.957 1.00 0.00 C ATOM 427 O GLN A 31 -2.232 -3.046 -4.133 1.00 0.00 O ATOM 428 CB GLN A 31 -5.117 -3.482 -6.041 1.00 0.00 C ATOM 429 CG GLN A 31 -4.361 -4.718 -6.501 1.00 0.00 C ATOM 430 CD GLN A 31 -4.896 -5.994 -5.881 1.00 0.00 C ATOM 431 OE1 GLN A 31 -5.709 -6.696 -6.482 1.00 0.00 O ATOM 432 NE2 GLN A 31 -4.441 -6.301 -4.672 1.00 0.00 N ATOM 0 H GLN A 31 -5.701 -1.173 -5.281 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.681 -3.517 -3.937 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -6.157 -3.751 -5.855 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.117 -2.746 -6.845 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.421 -4.793 -7.587 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.307 -4.610 -6.247 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.767 -5.690 -4.210 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.765 -7.148 -4.205 1.00 0.00 H new ATOM 441 N GLU A 32 -2.672 -1.928 -6.036 1.00 0.00 N ATOM 442 CA GLU A 32 -1.271 -1.643 -6.321 1.00 0.00 C ATOM 443 C GLU A 32 -0.523 -1.261 -5.046 1.00 0.00 C ATOM 444 O GLU A 32 0.688 -1.454 -4.942 1.00 0.00 O ATOM 445 CB GLU A 32 -1.156 -0.516 -7.350 1.00 0.00 C ATOM 446 CG GLU A 32 -1.189 -1.000 -8.789 1.00 0.00 C ATOM 447 CD GLU A 32 -1.001 0.125 -9.788 1.00 0.00 C ATOM 448 OE1 GLU A 32 -1.575 1.212 -9.573 1.00 0.00 O ATOM 449 OE2 GLU A 32 -0.278 -0.082 -10.786 1.00 0.00 O ATOM 0 H GLU A 32 -3.327 -1.560 -6.727 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.819 -2.546 -6.730 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.971 0.191 -7.195 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.226 0.027 -7.179 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.407 -1.745 -8.936 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.141 -1.495 -8.980 1.00 0.00 H new ATOM 456 N VAL A 33 -1.255 -0.717 -4.079 1.00 0.00 N ATOM 457 CA VAL A 33 -0.663 -0.309 -2.811 1.00 0.00 C ATOM 458 C VAL A 33 -0.187 -1.516 -2.011 1.00 0.00 C ATOM 459 O VAL A 33 0.965 -1.576 -1.583 1.00 0.00 O ATOM 460 CB VAL A 33 -1.662 0.496 -1.958 1.00 0.00 C ATOM 461 CG1 VAL A 33 -0.992 1.012 -0.694 1.00 0.00 C ATOM 462 CG2 VAL A 33 -2.248 1.644 -2.767 1.00 0.00 C ATOM 0 H VAL A 33 -2.259 -0.549 -4.150 1.00 0.00 H new ATOM 0 HA VAL A 33 0.192 0.323 -3.051 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.477 -0.165 -1.664 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.714 1.578 -0.105 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.625 0.170 -0.107 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.157 1.658 -0.963 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.952 2.202 -2.149 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.446 2.306 -3.092 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.767 1.247 -3.639 1.00 0.00 H new ATOM 472 N VAL A 34 -1.083 -2.479 -1.814 1.00 0.00 N ATOM 473 CA VAL A 34 -0.755 -3.687 -1.068 1.00 0.00 C ATOM 474 C VAL A 34 0.290 -4.520 -1.802 1.00 0.00 C ATOM 475 O VAL A 34 1.066 -5.248 -1.182 1.00 0.00 O ATOM 476 CB VAL A 34 -2.005 -4.552 -0.822 1.00 0.00 C ATOM 477 CG1 VAL A 34 -3.114 -3.722 -0.193 1.00 0.00 C ATOM 478 CG2 VAL A 34 -2.476 -5.188 -2.121 1.00 0.00 C ATOM 0 H VAL A 34 -2.042 -2.445 -2.161 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.350 -3.366 -0.108 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.742 -5.350 -0.127 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.989 -4.350 -0.027 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.771 -3.318 0.760 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.378 -2.902 -0.861 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.360 -5.796 -1.929 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.722 -4.407 -2.840 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.684 -5.818 -2.526 1.00 0.00 H new ATOM 488 N ILE A 35 0.304 -4.408 -3.126 1.00 0.00 N ATOM 489 CA ILE A 35 1.255 -5.150 -3.945 1.00 0.00 C ATOM 490 C ILE A 35 2.684 -4.939 -3.455 1.00 0.00 C ATOM 491 O ILE A 35 3.440 -5.895 -3.285 1.00 0.00 O ATOM 492 CB ILE A 35 1.165 -4.737 -5.426 1.00 0.00 C ATOM 493 CG1 ILE A 35 -0.241 -5.002 -5.967 1.00 0.00 C ATOM 494 CG2 ILE A 35 2.205 -5.483 -6.248 1.00 0.00 C ATOM 495 CD1 ILE A 35 -0.576 -6.473 -6.084 1.00 0.00 C ATOM 0 H ILE A 35 -0.332 -3.811 -3.654 1.00 0.00 H new ATOM 0 HA ILE A 35 0.994 -6.205 -3.854 1.00 0.00 H new ATOM 0 HB ILE A 35 1.368 -3.669 -5.503 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.970 -4.523 -5.313 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.338 -4.536 -6.948 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.129 -5.180 -7.292 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.201 -5.248 -5.874 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.031 -6.556 -6.168 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.588 -6.586 -6.474 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.130 -6.954 -6.761 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.512 -6.940 -5.101 1.00 0.00 H new ATOM 507 N ALA A 36 3.046 -3.680 -3.230 1.00 0.00 N ATOM 508 CA ALA A 36 4.383 -3.343 -2.756 1.00 0.00 C ATOM 509 C ALA A 36 4.692 -4.047 -1.439 1.00 0.00 C ATOM 510 O ALA A 36 5.742 -4.674 -1.290 1.00 0.00 O ATOM 511 CB ALA A 36 4.523 -1.837 -2.597 1.00 0.00 C ATOM 0 H ALA A 36 2.432 -2.877 -3.368 1.00 0.00 H new ATOM 0 HA ALA A 36 5.102 -3.687 -3.499 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.526 -1.600 -2.243 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.354 -1.352 -3.559 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.789 -1.478 -1.876 1.00 0.00 H new ATOM 517 N LEU A 37 3.773 -3.940 -0.487 1.00 0.00 N ATOM 518 CA LEU A 37 3.948 -4.566 0.819 1.00 0.00 C ATOM 519 C LEU A 37 4.230 -6.058 0.674 1.00 0.00 C ATOM 520 O LEU A 37 5.245 -6.558 1.159 1.00 0.00 O ATOM 521 CB LEU A 37 2.702 -4.353 1.680 1.00 0.00 C ATOM 522 CG LEU A 37 2.687 -3.086 2.536 1.00 0.00 C ATOM 523 CD1 LEU A 37 3.874 -3.070 3.487 1.00 0.00 C ATOM 524 CD2 LEU A 37 2.691 -1.846 1.654 1.00 0.00 C ATOM 0 H LEU A 37 2.899 -3.426 -0.594 1.00 0.00 H new ATOM 0 HA LEU A 37 4.803 -4.098 1.307 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.831 -4.335 1.025 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.588 -5.214 2.339 1.00 0.00 H new ATOM 0 HG LEU A 37 1.773 -3.082 3.129 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.847 -2.161 4.088 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.827 -3.940 4.142 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.800 -3.098 2.913 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.680 -0.954 2.280 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.588 -1.843 1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.808 -1.851 1.015 1.00 0.00 H new ATOM 536 N ALA A 38 3.327 -6.764 0.002 1.00 0.00 N ATOM 537 CA ALA A 38 3.480 -8.197 -0.211 1.00 0.00 C ATOM 538 C ALA A 38 4.875 -8.529 -0.731 1.00 0.00 C ATOM 539 O ALA A 38 5.495 -9.499 -0.296 1.00 0.00 O ATOM 540 CB ALA A 38 2.420 -8.704 -1.177 1.00 0.00 C ATOM 0 H ALA A 38 2.481 -6.366 -0.405 1.00 0.00 H new ATOM 0 HA ALA A 38 3.350 -8.697 0.749 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.547 -9.776 -1.326 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.430 -8.510 -0.765 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.523 -8.190 -2.133 1.00 0.00 H new ATOM 546 N GLN A 39 5.361 -7.717 -1.665 1.00 0.00 N ATOM 547 CA GLN A 39 6.682 -7.926 -2.245 1.00 0.00 C ATOM 548 C GLN A 39 7.774 -7.728 -1.199 1.00 0.00 C ATOM 549 O GLN A 39 8.788 -8.425 -1.206 1.00 0.00 O ATOM 550 CB GLN A 39 6.904 -6.970 -3.418 1.00 0.00 C ATOM 551 CG GLN A 39 6.045 -7.287 -4.632 1.00 0.00 C ATOM 552 CD GLN A 39 6.314 -8.669 -5.193 1.00 0.00 C ATOM 553 OE1 GLN A 39 7.348 -9.276 -4.910 1.00 0.00 O ATOM 554 NE2 GLN A 39 5.383 -9.175 -5.993 1.00 0.00 N ATOM 0 H GLN A 39 4.860 -6.909 -2.036 1.00 0.00 H new ATOM 0 HA GLN A 39 6.733 -8.953 -2.607 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.694 -5.952 -3.091 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.954 -7.002 -3.708 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.993 -7.209 -4.358 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.229 -6.543 -5.407 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.542 -8.637 -6.200 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.509 -10.102 -6.400 1.00 0.00 H new ATOM 563 N ALA A 40 7.559 -6.773 -0.300 1.00 0.00 N ATOM 564 CA ALA A 40 8.524 -6.484 0.753 1.00 0.00 C ATOM 565 C ALA A 40 8.608 -7.634 1.751 1.00 0.00 C ATOM 566 O ALA A 40 9.687 -8.168 2.008 1.00 0.00 O ATOM 567 CB ALA A 40 8.157 -5.190 1.465 1.00 0.00 C ATOM 0 H ALA A 40 6.725 -6.186 -0.280 1.00 0.00 H new ATOM 0 HA ALA A 40 9.504 -6.366 0.291 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.886 -4.987 2.249 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.156 -4.368 0.749 1.00 0.00 H new ATOM 0 HB3 ALA A 40 7.166 -5.287 1.908 1.00 0.00 H new ATOM 573 N ILE A 41 7.463 -8.009 2.312 1.00 0.00 N ATOM 574 CA ILE A 41 7.408 -9.096 3.281 1.00 0.00 C ATOM 575 C ILE A 41 7.661 -10.443 2.612 1.00 0.00 C ATOM 576 O ILE A 41 8.108 -11.392 3.255 1.00 0.00 O ATOM 577 CB ILE A 41 6.046 -9.141 4.000 1.00 0.00 C ATOM 578 CG1 ILE A 41 4.910 -9.238 2.980 1.00 0.00 C ATOM 579 CG2 ILE A 41 5.872 -7.913 4.881 1.00 0.00 C ATOM 580 CD1 ILE A 41 3.563 -9.532 3.602 1.00 0.00 C ATOM 0 H ILE A 41 6.561 -7.576 2.112 1.00 0.00 H new ATOM 0 HA ILE A 41 8.191 -8.904 4.014 1.00 0.00 H new ATOM 0 HB ILE A 41 6.015 -10.026 4.635 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.849 -8.301 2.426 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.146 -10.020 2.258 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.905 -7.959 5.382 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.667 -7.885 5.627 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.919 -7.014 4.266 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.805 -9.587 2.820 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.607 -10.483 4.132 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.305 -8.738 4.303 1.00 0.00 H new ATOM 592 N GLY A 42 7.375 -10.517 1.316 1.00 0.00 N ATOM 593 CA GLY A 42 7.580 -11.751 0.581 1.00 0.00 C ATOM 594 C GLY A 42 6.458 -12.748 0.796 1.00 0.00 C ATOM 595 O GLY A 42 6.704 -13.906 1.134 1.00 0.00 O ATOM 0 H GLY A 42 7.005 -9.745 0.762 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.664 -11.527 -0.482 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.525 -12.200 0.888 1.00 0.00 H new ATOM 599 N ARG A 43 5.223 -12.297 0.601 1.00 0.00 N ATOM 600 CA ARG A 43 4.059 -13.157 0.779 1.00 0.00 C ATOM 601 C ARG A 43 3.017 -12.892 -0.303 1.00 0.00 C ATOM 602 O ARG A 43 3.202 -12.028 -1.161 1.00 0.00 O ATOM 603 CB ARG A 43 3.442 -12.936 2.162 1.00 0.00 C ATOM 604 CG ARG A 43 4.179 -13.656 3.280 1.00 0.00 C ATOM 605 CD ARG A 43 3.272 -13.905 4.474 1.00 0.00 C ATOM 606 NE ARG A 43 3.888 -14.797 5.453 1.00 0.00 N ATOM 607 CZ ARG A 43 4.805 -14.404 6.330 1.00 0.00 C ATOM 608 NH1 ARG A 43 5.210 -13.141 6.351 1.00 0.00 N ATOM 609 NH2 ARG A 43 5.320 -15.275 7.189 1.00 0.00 N ATOM 0 H ARG A 43 5.003 -11.342 0.320 1.00 0.00 H new ATOM 0 HA ARG A 43 4.388 -14.193 0.697 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.427 -11.868 2.377 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.405 -13.272 2.146 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.565 -14.606 2.910 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.039 -13.063 3.592 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.031 -12.955 4.951 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.332 -14.337 4.131 1.00 0.00 H new ATOM 0 HE ARG A 43 3.598 -15.775 5.464 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.817 -12.468 5.692 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.914 -12.842 7.026 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.012 -16.247 7.176 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.024 -14.972 7.862 1.00 0.00 H new ATOM 623 N THR A 44 1.920 -13.643 -0.258 1.00 0.00 N ATOM 624 CA THR A 44 0.850 -13.491 -1.235 1.00 0.00 C ATOM 625 C THR A 44 0.525 -12.020 -1.471 1.00 0.00 C ATOM 626 O THR A 44 0.478 -11.226 -0.532 1.00 0.00 O ATOM 627 CB THR A 44 -0.430 -14.221 -0.784 1.00 0.00 C ATOM 628 OG1 THR A 44 -0.104 -15.533 -0.312 1.00 0.00 O ATOM 629 CG2 THR A 44 -1.427 -14.321 -1.928 1.00 0.00 C ATOM 0 H THR A 44 1.750 -14.362 0.445 1.00 0.00 H new ATOM 0 HA THR A 44 1.206 -13.936 -2.165 1.00 0.00 H new ATOM 0 HB THR A 44 -0.885 -13.647 0.024 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.922 -15.990 -0.026 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.322 -14.840 -1.586 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.695 -13.320 -2.266 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.980 -14.875 -2.753 1.00 0.00 H new ATOM 637 N GLY A 45 0.301 -11.663 -2.732 1.00 0.00 N ATOM 638 CA GLY A 45 -0.017 -10.287 -3.068 1.00 0.00 C ATOM 639 C GLY A 45 -1.461 -9.937 -2.769 1.00 0.00 C ATOM 640 O GLY A 45 -1.780 -8.782 -2.485 1.00 0.00 O ATOM 0 H GLY A 45 0.334 -12.302 -3.527 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.639 -9.619 -2.510 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.183 -10.119 -4.126 1.00 0.00 H new ATOM 644 N ARG A 46 -2.336 -10.934 -2.836 1.00 0.00 N ATOM 645 CA ARG A 46 -3.755 -10.725 -2.573 1.00 0.00 C ATOM 646 C ARG A 46 -3.975 -10.211 -1.153 1.00 0.00 C ATOM 647 O ARG A 46 -3.966 -10.983 -0.195 1.00 0.00 O ATOM 648 CB ARG A 46 -4.532 -12.026 -2.782 1.00 0.00 C ATOM 649 CG ARG A 46 -5.011 -12.226 -4.211 1.00 0.00 C ATOM 650 CD ARG A 46 -3.923 -12.832 -5.084 1.00 0.00 C ATOM 651 NE ARG A 46 -4.280 -12.808 -6.499 1.00 0.00 N ATOM 652 CZ ARG A 46 -5.146 -13.650 -7.053 1.00 0.00 C ATOM 653 NH1 ARG A 46 -5.739 -14.577 -6.314 1.00 0.00 N ATOM 654 NH2 ARG A 46 -5.419 -13.566 -8.349 1.00 0.00 N ATOM 0 H ARG A 46 -2.088 -11.895 -3.070 1.00 0.00 H new ATOM 0 HA ARG A 46 -4.122 -9.975 -3.274 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.899 -12.867 -2.499 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.393 -12.036 -2.114 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.886 -12.876 -4.215 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.323 -11.269 -4.629 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.992 -12.284 -4.936 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.740 -13.861 -4.774 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.841 -12.107 -7.095 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.531 -14.645 -5.318 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.403 -15.222 -6.742 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.964 -12.855 -8.921 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.084 -14.213 -8.773 1.00 0.00 H new ATOM 668 N TYR A 47 -4.172 -8.903 -1.027 1.00 0.00 N ATOM 669 CA TYR A 47 -4.392 -8.286 0.275 1.00 0.00 C ATOM 670 C TYR A 47 -5.328 -7.087 0.159 1.00 0.00 C ATOM 671 O TYR A 47 -5.450 -6.480 -0.906 1.00 0.00 O ATOM 672 CB TYR A 47 -3.060 -7.850 0.887 1.00 0.00 C ATOM 673 CG TYR A 47 -2.399 -8.921 1.726 1.00 0.00 C ATOM 674 CD1 TYR A 47 -1.669 -9.943 1.133 1.00 0.00 C ATOM 675 CD2 TYR A 47 -2.504 -8.909 3.111 1.00 0.00 C ATOM 676 CE1 TYR A 47 -1.064 -10.924 1.895 1.00 0.00 C ATOM 677 CE2 TYR A 47 -1.902 -9.885 3.882 1.00 0.00 C ATOM 678 CZ TYR A 47 -1.184 -10.891 3.269 1.00 0.00 C ATOM 679 OH TYR A 47 -0.582 -11.865 4.032 1.00 0.00 O ATOM 0 H TYR A 47 -4.184 -8.250 -1.811 1.00 0.00 H new ATOM 0 HA TYR A 47 -4.859 -9.026 0.925 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.381 -7.557 0.087 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -3.225 -6.967 1.504 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.573 -9.971 0.058 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.066 -8.123 3.594 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.500 -11.712 1.418 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.993 -9.860 4.958 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.762 -11.696 4.980 1.00 0.00 H new ATOM 689 N THR A 48 -5.987 -6.749 1.263 1.00 0.00 N ATOM 690 CA THR A 48 -6.912 -5.624 1.287 1.00 0.00 C ATOM 691 C THR A 48 -6.572 -4.656 2.415 1.00 0.00 C ATOM 692 O THR A 48 -5.998 -5.049 3.432 1.00 0.00 O ATOM 693 CB THR A 48 -8.369 -6.097 1.454 1.00 0.00 C ATOM 694 OG1 THR A 48 -9.268 -5.007 1.222 1.00 0.00 O ATOM 695 CG2 THR A 48 -8.598 -6.662 2.848 1.00 0.00 C ATOM 0 H THR A 48 -5.897 -7.239 2.153 1.00 0.00 H new ATOM 0 HA THR A 48 -6.811 -5.112 0.330 1.00 0.00 H new ATOM 0 HB THR A 48 -8.558 -6.884 0.724 1.00 0.00 H new ATOM 0 HG1 THR A 48 -10.192 -5.317 1.328 1.00 0.00 H new ATOM 0 HG21 THR A 48 -9.633 -6.989 2.942 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.933 -7.510 3.011 1.00 0.00 H new ATOM 0 HG23 THR A 48 -8.392 -5.892 3.591 1.00 0.00 H new ATOM 703 N LEU A 49 -6.929 -3.390 2.230 1.00 0.00 N ATOM 704 CA LEU A 49 -6.663 -2.365 3.233 1.00 0.00 C ATOM 705 C LEU A 49 -7.921 -2.047 4.034 1.00 0.00 C ATOM 706 O LEU A 49 -8.944 -1.654 3.472 1.00 0.00 O ATOM 707 CB LEU A 49 -6.135 -1.094 2.564 1.00 0.00 C ATOM 708 CG LEU A 49 -4.826 -1.239 1.786 1.00 0.00 C ATOM 709 CD1 LEU A 49 -4.753 -0.210 0.669 1.00 0.00 C ATOM 710 CD2 LEU A 49 -3.633 -1.101 2.720 1.00 0.00 C ATOM 0 H LEU A 49 -7.404 -3.049 1.394 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.907 -2.749 3.918 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -6.900 -0.721 1.883 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.995 -0.334 3.333 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.799 -2.233 1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.815 -0.328 0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.589 -0.356 -0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.803 0.793 1.094 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.710 -1.207 2.150 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.655 -0.121 3.196 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.678 -1.877 3.485 1.00 0.00 H new ATOM 722 N ILE A 50 -7.837 -2.217 5.349 1.00 0.00 N ATOM 723 CA ILE A 50 -8.967 -1.945 6.228 1.00 0.00 C ATOM 724 C ILE A 50 -8.681 -0.757 7.140 1.00 0.00 C ATOM 725 O ILE A 50 -7.565 -0.593 7.630 1.00 0.00 O ATOM 726 CB ILE A 50 -9.316 -3.170 7.094 1.00 0.00 C ATOM 727 CG1 ILE A 50 -9.635 -4.375 6.206 1.00 0.00 C ATOM 728 CG2 ILE A 50 -10.488 -2.855 8.010 1.00 0.00 C ATOM 729 CD1 ILE A 50 -8.415 -5.182 5.822 1.00 0.00 C ATOM 0 H ILE A 50 -6.998 -2.542 5.829 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.816 -1.711 5.586 1.00 0.00 H new ATOM 0 HB ILE A 50 -8.453 -3.417 7.713 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.340 -5.023 6.726 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -10.131 -4.027 5.300 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -10.722 -3.731 8.615 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -10.226 -2.022 8.663 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -11.357 -2.586 7.410 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.716 -6.020 5.193 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.718 -4.549 5.274 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -7.931 -5.560 6.722 1.00 0.00 H new ATOM 741 N GLU A 51 -9.699 0.069 7.364 1.00 0.00 N ATOM 742 CA GLU A 51 -9.556 1.242 8.219 1.00 0.00 C ATOM 743 C GLU A 51 -10.215 1.010 9.576 1.00 0.00 C ATOM 744 O GLU A 51 -11.389 0.647 9.655 1.00 0.00 O ATOM 745 CB GLU A 51 -10.171 2.470 7.544 1.00 0.00 C ATOM 746 CG GLU A 51 -9.199 3.226 6.654 1.00 0.00 C ATOM 747 CD GLU A 51 -9.151 2.676 5.242 1.00 0.00 C ATOM 748 OE1 GLU A 51 -9.377 1.459 5.073 1.00 0.00 O ATOM 749 OE2 GLU A 51 -8.888 3.461 4.307 1.00 0.00 O ATOM 0 H GLU A 51 -10.630 -0.052 6.966 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.492 1.418 8.377 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.027 2.156 6.947 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -10.548 3.145 8.312 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.485 4.277 6.621 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.202 3.181 7.091 1.00 0.00 H new ATOM 756 N LYS A 52 -9.450 1.221 10.642 1.00 0.00 N ATOM 757 CA LYS A 52 -9.957 1.036 11.996 1.00 0.00 C ATOM 758 C LYS A 52 -10.169 2.380 12.686 1.00 0.00 C ATOM 759 O LYS A 52 -9.226 3.148 12.872 1.00 0.00 O ATOM 760 CB LYS A 52 -8.988 0.179 12.813 1.00 0.00 C ATOM 761 CG LYS A 52 -9.487 -0.137 14.213 1.00 0.00 C ATOM 762 CD LYS A 52 -8.462 -0.933 15.003 1.00 0.00 C ATOM 763 CE LYS A 52 -9.127 -1.802 16.060 1.00 0.00 C ATOM 764 NZ LYS A 52 -8.128 -2.564 16.860 1.00 0.00 N ATOM 0 H LYS A 52 -8.476 1.520 10.594 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.918 0.525 11.931 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -8.806 -0.755 12.282 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.031 0.696 12.885 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.712 0.791 14.738 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -10.417 -0.701 14.150 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.885 -1.561 14.324 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.759 -0.251 15.481 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.722 -1.175 16.724 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.814 -2.498 15.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.621 -3.144 17.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.577 -3.181 16.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.488 -1.900 17.340 1.00 0.00 H new ATOM 778 N TRP A 53 -11.412 2.657 13.062 1.00 0.00 N ATOM 779 CA TRP A 53 -11.747 3.908 13.733 1.00 0.00 C ATOM 780 C TRP A 53 -12.903 3.711 14.708 1.00 0.00 C ATOM 781 O TRP A 53 -13.991 3.287 14.317 1.00 0.00 O ATOM 782 CB TRP A 53 -12.108 4.981 12.704 1.00 0.00 C ATOM 783 CG TRP A 53 -12.808 6.165 13.301 1.00 0.00 C ATOM 784 CD1 TRP A 53 -12.224 7.272 13.848 1.00 0.00 C ATOM 785 CD2 TRP A 53 -14.222 6.357 13.414 1.00 0.00 C ATOM 786 NE1 TRP A 53 -13.191 8.141 14.293 1.00 0.00 N ATOM 787 CE2 TRP A 53 -14.424 7.604 14.037 1.00 0.00 C ATOM 788 CE3 TRP A 53 -15.337 5.599 13.046 1.00 0.00 C ATOM 789 CZ2 TRP A 53 -15.696 8.106 14.301 1.00 0.00 C ATOM 790 CZ3 TRP A 53 -16.598 6.099 13.309 1.00 0.00 C ATOM 791 CH2 TRP A 53 -16.770 7.343 13.931 1.00 0.00 C ATOM 0 H TRP A 53 -12.205 2.032 12.914 1.00 0.00 H new ATOM 0 HA TRP A 53 -10.873 4.234 14.297 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -11.198 5.318 12.207 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -12.745 4.540 11.938 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -11.160 7.440 13.920 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -13.018 9.041 14.742 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -15.215 4.640 12.565 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -15.830 9.064 14.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -17.467 5.521 13.030 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -17.769 7.706 14.122 1.00 0.00 H new ATOM 802 N ARG A 54 -12.661 4.022 15.977 1.00 0.00 N ATOM 803 CA ARG A 54 -13.682 3.878 17.007 1.00 0.00 C ATOM 804 C ARG A 54 -14.362 2.515 16.912 1.00 0.00 C ATOM 805 O ARG A 54 -15.583 2.410 17.031 1.00 0.00 O ATOM 806 CB ARG A 54 -14.725 4.990 16.881 1.00 0.00 C ATOM 807 CG ARG A 54 -14.272 6.319 17.463 1.00 0.00 C ATOM 808 CD ARG A 54 -14.308 6.302 18.983 1.00 0.00 C ATOM 809 NE ARG A 54 -13.081 5.750 19.554 1.00 0.00 N ATOM 810 CZ ARG A 54 -12.952 5.414 20.832 1.00 0.00 C ATOM 811 NH1 ARG A 54 -13.968 5.573 21.669 1.00 0.00 N ATOM 812 NH2 ARG A 54 -11.804 4.918 21.276 1.00 0.00 N ATOM 0 H ARG A 54 -11.766 4.375 16.316 1.00 0.00 H new ATOM 0 HA ARG A 54 -13.195 3.955 17.979 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.970 5.129 15.828 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -15.640 4.676 17.383 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -13.260 6.540 17.124 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.914 7.118 17.092 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.456 7.316 19.353 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -15.161 5.713 19.319 1.00 0.00 H new ATOM 0 HE ARG A 54 -12.280 5.616 18.937 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.852 5.954 21.332 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -13.866 5.314 22.650 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -11.020 4.795 20.635 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -11.706 4.660 22.258 1.00 0.00 H new ATOM 826 N ASP A 55 -13.564 1.476 16.695 1.00 0.00 N ATOM 827 CA ASP A 55 -14.088 0.119 16.584 1.00 0.00 C ATOM 828 C ASP A 55 -14.951 -0.029 15.334 1.00 0.00 C ATOM 829 O ASP A 55 -16.040 -0.603 15.382 1.00 0.00 O ATOM 830 CB ASP A 55 -14.904 -0.238 17.827 1.00 0.00 C ATOM 831 CG ASP A 55 -14.318 0.353 19.094 1.00 0.00 C ATOM 832 OD1 ASP A 55 -13.108 0.161 19.333 1.00 0.00 O ATOM 833 OD2 ASP A 55 -15.070 1.007 19.847 1.00 0.00 O ATOM 0 H ASP A 55 -12.552 1.547 16.592 1.00 0.00 H new ATOM 0 HA ASP A 55 -13.243 -0.566 16.504 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -15.926 0.119 17.702 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -14.955 -1.322 17.925 1.00 0.00 H new ATOM 838 N THR A 56 -14.457 0.492 14.215 1.00 0.00 N ATOM 839 CA THR A 56 -15.183 0.420 12.954 1.00 0.00 C ATOM 840 C THR A 56 -14.256 0.032 11.807 1.00 0.00 C ATOM 841 O THR A 56 -13.455 0.844 11.344 1.00 0.00 O ATOM 842 CB THR A 56 -15.862 1.761 12.618 1.00 0.00 C ATOM 843 OG1 THR A 56 -16.706 2.168 13.702 1.00 0.00 O ATOM 844 CG2 THR A 56 -16.684 1.648 11.344 1.00 0.00 C ATOM 0 H THR A 56 -13.557 0.968 14.157 1.00 0.00 H new ATOM 0 HA THR A 56 -15.949 -0.346 13.075 1.00 0.00 H new ATOM 0 HB THR A 56 -15.083 2.508 12.463 1.00 0.00 H new ATOM 0 HG1 THR A 56 -16.183 2.692 14.345 1.00 0.00 H new ATOM 0 HG21 THR A 56 -17.154 2.608 11.128 1.00 0.00 H new ATOM 0 HG22 THR A 56 -16.034 1.367 10.515 1.00 0.00 H new ATOM 0 HG23 THR A 56 -17.455 0.888 11.474 1.00 0.00 H new ATOM 852 N GLU A 57 -14.371 -1.212 11.355 1.00 0.00 N ATOM 853 CA GLU A 57 -13.541 -1.706 10.262 1.00 0.00 C ATOM 854 C GLU A 57 -14.304 -1.671 8.941 1.00 0.00 C ATOM 855 O GLU A 57 -15.352 -2.302 8.799 1.00 0.00 O ATOM 856 CB GLU A 57 -13.071 -3.133 10.553 1.00 0.00 C ATOM 857 CG GLU A 57 -11.846 -3.199 11.450 1.00 0.00 C ATOM 858 CD GLU A 57 -11.429 -4.622 11.765 1.00 0.00 C ATOM 859 OE1 GLU A 57 -12.077 -5.254 12.625 1.00 0.00 O ATOM 860 OE2 GLU A 57 -10.455 -5.104 11.150 1.00 0.00 O ATOM 0 H GLU A 57 -15.030 -1.896 11.728 1.00 0.00 H new ATOM 0 HA GLU A 57 -12.671 -1.054 10.178 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -13.885 -3.686 11.022 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.848 -3.633 9.610 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.018 -2.680 10.966 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.053 -2.671 12.381 1.00 0.00 H new ATOM 867 N ARG A 58 -13.771 -0.928 7.976 1.00 0.00 N ATOM 868 CA ARG A 58 -14.402 -0.807 6.667 1.00 0.00 C ATOM 869 C ARG A 58 -13.434 -1.211 5.559 1.00 0.00 C ATOM 870 O ARG A 58 -12.425 -0.545 5.328 1.00 0.00 O ATOM 871 CB ARG A 58 -14.885 0.626 6.440 1.00 0.00 C ATOM 872 CG ARG A 58 -15.398 0.880 5.032 1.00 0.00 C ATOM 873 CD ARG A 58 -15.282 2.348 4.653 1.00 0.00 C ATOM 874 NE ARG A 58 -16.205 2.711 3.581 1.00 0.00 N ATOM 875 CZ ARG A 58 -17.520 2.798 3.742 1.00 0.00 C ATOM 876 NH1 ARG A 58 -18.064 2.550 4.926 1.00 0.00 N ATOM 877 NH2 ARG A 58 -18.295 3.135 2.719 1.00 0.00 N ATOM 0 H ARG A 58 -12.904 -0.401 8.076 1.00 0.00 H new ATOM 0 HA ARG A 58 -15.259 -1.480 6.641 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -15.679 0.850 7.153 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -14.066 1.314 6.649 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -14.833 0.274 4.323 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -16.439 0.566 4.961 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -15.483 2.965 5.529 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -14.260 2.562 4.340 1.00 0.00 H new ATOM 0 HE ARG A 58 -15.818 2.908 2.658 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -17.472 2.292 5.715 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -19.075 2.618 5.047 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -17.881 3.328 1.807 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -19.305 3.201 2.845 1.00 0.00 H new ATOM 891 N HIS A 59 -13.750 -2.307 4.876 1.00 0.00 N ATOM 892 CA HIS A 59 -12.908 -2.800 3.791 1.00 0.00 C ATOM 893 C HIS A 59 -12.950 -1.852 2.597 1.00 0.00 C ATOM 894 O HIS A 59 -13.991 -1.269 2.289 1.00 0.00 O ATOM 895 CB HIS A 59 -13.358 -4.198 3.363 1.00 0.00 C ATOM 896 CG HIS A 59 -12.951 -5.277 4.319 1.00 0.00 C ATOM 897 ND1 HIS A 59 -12.433 -6.487 3.910 1.00 0.00 N ATOM 898 CD2 HIS A 59 -12.987 -5.322 5.671 1.00 0.00 C ATOM 899 CE1 HIS A 59 -12.169 -7.231 4.970 1.00 0.00 C ATOM 900 NE2 HIS A 59 -12.496 -6.546 6.051 1.00 0.00 N ATOM 0 H HIS A 59 -14.582 -2.870 5.054 1.00 0.00 H new ATOM 0 HA HIS A 59 -11.882 -2.852 4.155 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -14.443 -4.206 3.260 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.943 -4.419 2.380 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -13.337 -4.540 6.329 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -11.756 -8.229 4.955 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -12.399 -6.874 7.012 1.00 0.00 H new ATOM 909 N LEU A 60 -11.813 -1.700 1.928 1.00 0.00 N ATOM 910 CA LEU A 60 -11.719 -0.821 0.767 1.00 0.00 C ATOM 911 C LEU A 60 -11.824 -1.618 -0.529 1.00 0.00 C ATOM 912 O LEU A 60 -11.339 -2.746 -0.617 1.00 0.00 O ATOM 913 CB LEU A 60 -10.402 -0.044 0.796 1.00 0.00 C ATOM 914 CG LEU A 60 -10.254 0.985 1.917 1.00 0.00 C ATOM 915 CD1 LEU A 60 -8.786 1.240 2.218 1.00 0.00 C ATOM 916 CD2 LEU A 60 -10.958 2.282 1.546 1.00 0.00 C ATOM 0 H LEU A 60 -10.943 -2.174 2.169 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.550 -0.117 0.807 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.583 -0.759 0.876 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.285 0.469 -0.159 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.723 0.585 2.816 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -8.701 1.975 3.018 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.311 0.309 2.528 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.292 1.619 1.323 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.842 3.003 2.355 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.519 2.686 0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -12.018 2.087 1.383 1.00 0.00 H new ATOM 928 N ALA A 61 -12.458 -1.023 -1.534 1.00 0.00 N ATOM 929 CA ALA A 61 -12.623 -1.675 -2.827 1.00 0.00 C ATOM 930 C ALA A 61 -11.323 -1.652 -3.623 1.00 0.00 C ATOM 931 O ALA A 61 -10.554 -0.691 -3.575 1.00 0.00 O ATOM 932 CB ALA A 61 -13.740 -1.008 -3.617 1.00 0.00 C ATOM 0 H ALA A 61 -12.866 -0.090 -1.477 1.00 0.00 H new ATOM 0 HA ALA A 61 -12.891 -2.716 -2.649 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.852 -1.506 -4.580 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.674 -1.082 -3.060 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -13.495 0.042 -3.777 1.00 0.00 H new ATOM 938 N PRO A 62 -11.068 -2.734 -4.374 1.00 0.00 N ATOM 939 CA PRO A 62 -9.860 -2.862 -5.195 1.00 0.00 C ATOM 940 C PRO A 62 -9.868 -1.914 -6.389 1.00 0.00 C ATOM 941 O PRO A 62 -8.908 -1.860 -7.158 1.00 0.00 O ATOM 942 CB PRO A 62 -9.904 -4.317 -5.666 1.00 0.00 C ATOM 943 CG PRO A 62 -11.347 -4.685 -5.628 1.00 0.00 C ATOM 944 CD PRO A 62 -11.940 -3.916 -4.479 1.00 0.00 C ATOM 0 HA PRO A 62 -8.959 -2.608 -4.637 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.496 -4.420 -6.671 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -9.314 -4.962 -5.015 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -11.840 -4.428 -6.566 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -11.472 -5.758 -5.485 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -12.975 -3.636 -4.675 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -11.936 -4.501 -3.559 1.00 0.00 H new ATOM 952 N HIS A 63 -10.958 -1.168 -6.540 1.00 0.00 N ATOM 953 CA HIS A 63 -11.091 -0.221 -7.641 1.00 0.00 C ATOM 954 C HIS A 63 -11.131 1.213 -7.123 1.00 0.00 C ATOM 955 O HIS A 63 -11.327 2.155 -7.890 1.00 0.00 O ATOM 956 CB HIS A 63 -12.354 -0.519 -8.449 1.00 0.00 C ATOM 957 CG HIS A 63 -13.556 -0.799 -7.600 1.00 0.00 C ATOM 958 ND1 HIS A 63 -13.985 -2.074 -7.300 1.00 0.00 N ATOM 959 CD2 HIS A 63 -14.420 0.042 -6.984 1.00 0.00 C ATOM 960 CE1 HIS A 63 -15.062 -2.006 -6.538 1.00 0.00 C ATOM 961 NE2 HIS A 63 -15.347 -0.733 -6.331 1.00 0.00 N ATOM 0 H HIS A 63 -11.762 -1.201 -5.913 1.00 0.00 H new ATOM 0 HA HIS A 63 -10.221 -0.331 -8.288 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -12.568 0.329 -9.099 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -12.168 -1.377 -9.095 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -14.386 1.121 -7.003 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -15.616 -2.848 -6.150 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -16.128 -0.383 -5.777 1.00 0.00 H new ATOM 970 N GLU A 64 -10.944 1.370 -5.816 1.00 0.00 N ATOM 971 CA GLU A 64 -10.961 2.690 -5.196 1.00 0.00 C ATOM 972 C GLU A 64 -9.543 3.166 -4.890 1.00 0.00 C ATOM 973 O GLU A 64 -8.568 2.481 -5.197 1.00 0.00 O ATOM 974 CB GLU A 64 -11.790 2.664 -3.910 1.00 0.00 C ATOM 975 CG GLU A 64 -13.288 2.582 -4.153 1.00 0.00 C ATOM 976 CD GLU A 64 -13.912 3.940 -4.409 1.00 0.00 C ATOM 977 OE1 GLU A 64 -13.513 4.912 -3.734 1.00 0.00 O ATOM 978 OE2 GLU A 64 -14.798 4.031 -5.284 1.00 0.00 O ATOM 0 H GLU A 64 -10.779 0.601 -5.167 1.00 0.00 H new ATOM 0 HA GLU A 64 -11.416 3.387 -5.899 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.481 1.811 -3.306 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.573 3.561 -3.330 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -13.479 1.932 -5.007 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -13.768 2.123 -3.289 1.00 0.00 H new ATOM 985 N ASN A 65 -9.439 4.343 -4.283 1.00 0.00 N ATOM 986 CA ASN A 65 -8.141 4.912 -3.936 1.00 0.00 C ATOM 987 C ASN A 65 -8.042 5.167 -2.435 1.00 0.00 C ATOM 988 O ASN A 65 -8.999 5.594 -1.789 1.00 0.00 O ATOM 989 CB ASN A 65 -7.911 6.216 -4.703 1.00 0.00 C ATOM 990 CG ASN A 65 -7.517 5.976 -6.147 1.00 0.00 C ATOM 991 OD1 ASN A 65 -7.233 4.846 -6.545 1.00 0.00 O ATOM 992 ND2 ASN A 65 -7.498 7.041 -6.940 1.00 0.00 N ATOM 0 H ASN A 65 -10.237 4.922 -4.021 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.371 4.193 -4.216 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.820 6.817 -4.672 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -7.130 6.793 -4.207 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -7.241 6.941 -7.922 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.741 7.959 -6.567 1.00 0.00 H new ATOM 999 N PRO A 66 -6.857 4.900 -1.867 1.00 0.00 N ATOM 1000 CA PRO A 66 -6.604 5.094 -0.436 1.00 0.00 C ATOM 1001 C PRO A 66 -6.569 6.568 -0.048 1.00 0.00 C ATOM 1002 O PRO A 66 -7.245 6.989 0.891 1.00 0.00 O ATOM 1003 CB PRO A 66 -5.230 4.453 -0.228 1.00 0.00 C ATOM 1004 CG PRO A 66 -4.571 4.529 -1.563 1.00 0.00 C ATOM 1005 CD PRO A 66 -5.673 4.389 -2.577 1.00 0.00 C ATOM 0 HA PRO A 66 -7.390 4.657 0.180 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.655 4.986 0.529 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -5.322 3.421 0.110 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.046 5.476 -1.686 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.831 3.737 -1.679 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.465 4.966 -3.478 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.806 3.352 -2.885 1.00 0.00 H new ATOM 1013 N ILE A 67 -5.778 7.348 -0.777 1.00 0.00 N ATOM 1014 CA ILE A 67 -5.656 8.776 -0.509 1.00 0.00 C ATOM 1015 C ILE A 67 -7.026 9.442 -0.447 1.00 0.00 C ATOM 1016 O ILE A 67 -7.225 10.408 0.290 1.00 0.00 O ATOM 1017 CB ILE A 67 -4.804 9.479 -1.582 1.00 0.00 C ATOM 1018 CG1 ILE A 67 -3.377 8.928 -1.573 1.00 0.00 C ATOM 1019 CG2 ILE A 67 -4.798 10.983 -1.352 1.00 0.00 C ATOM 1020 CD1 ILE A 67 -2.521 9.450 -2.706 1.00 0.00 C ATOM 0 H ILE A 67 -5.212 7.015 -1.558 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.162 8.875 0.458 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.243 9.282 -2.560 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.904 9.182 -0.624 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.416 7.840 -1.629 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.192 11.466 -2.118 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.818 11.363 -1.404 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.380 11.199 -0.369 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.523 9.018 -2.637 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.971 9.173 -3.659 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.451 10.536 -2.639 1.00 0.00 H new ATOM 1032 N ILE A 68 -7.969 8.917 -1.223 1.00 0.00 N ATOM 1033 CA ILE A 68 -9.322 9.459 -1.253 1.00 0.00 C ATOM 1034 C ILE A 68 -10.169 8.888 -0.122 1.00 0.00 C ATOM 1035 O ILE A 68 -10.603 9.615 0.771 1.00 0.00 O ATOM 1036 CB ILE A 68 -10.015 9.167 -2.597 1.00 0.00 C ATOM 1037 CG1 ILE A 68 -9.402 10.020 -3.709 1.00 0.00 C ATOM 1038 CG2 ILE A 68 -11.511 9.423 -2.488 1.00 0.00 C ATOM 1039 CD1 ILE A 68 -8.061 9.513 -4.191 1.00 0.00 C ATOM 0 H ILE A 68 -7.821 8.117 -1.839 1.00 0.00 H new ATOM 0 HA ILE A 68 -9.232 10.538 -1.126 1.00 0.00 H new ATOM 0 HB ILE A 68 -9.863 8.117 -2.846 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -10.092 10.054 -4.552 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -9.287 11.043 -3.350 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -11.987 9.212 -3.446 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -11.936 8.775 -1.721 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -11.683 10.465 -2.219 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -7.687 10.167 -4.979 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -7.355 9.505 -3.360 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.173 8.502 -4.581 1.00 0.00 H new ATOM 1051 N SER A 69 -10.398 7.579 -0.165 1.00 0.00 N ATOM 1052 CA SER A 69 -11.195 6.909 0.856 1.00 0.00 C ATOM 1053 C SER A 69 -10.913 7.494 2.237 1.00 0.00 C ATOM 1054 O SER A 69 -11.825 7.682 3.043 1.00 0.00 O ATOM 1055 CB SER A 69 -10.903 5.407 0.857 1.00 0.00 C ATOM 1056 OG SER A 69 -11.590 4.754 -0.196 1.00 0.00 O ATOM 0 H SER A 69 -10.043 6.962 -0.896 1.00 0.00 H new ATOM 0 HA SER A 69 -12.248 7.067 0.621 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.831 5.242 0.754 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.201 4.976 1.813 1.00 0.00 H new ATOM 0 HG SER A 69 -11.035 4.763 -1.004 1.00 0.00 H new ATOM 1062 N LEU A 70 -9.643 7.781 2.502 1.00 0.00 N ATOM 1063 CA LEU A 70 -9.239 8.345 3.785 1.00 0.00 C ATOM 1064 C LEU A 70 -9.585 9.828 3.861 1.00 0.00 C ATOM 1065 O LEU A 70 -10.266 10.270 4.786 1.00 0.00 O ATOM 1066 CB LEU A 70 -7.737 8.149 4.000 1.00 0.00 C ATOM 1067 CG LEU A 70 -7.230 8.361 5.427 1.00 0.00 C ATOM 1068 CD1 LEU A 70 -7.818 7.316 6.363 1.00 0.00 C ATOM 1069 CD2 LEU A 70 -5.709 8.317 5.464 1.00 0.00 C ATOM 0 H LEU A 70 -8.876 7.633 1.846 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.784 7.823 4.571 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.475 7.138 3.689 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -7.203 8.834 3.341 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.554 9.345 5.765 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.446 7.483 7.374 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.905 7.394 6.359 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.525 6.321 6.028 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.365 8.470 6.487 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.364 7.347 5.106 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.307 9.103 4.825 1.00 0.00 H new ATOM 1081 N ASN A 71 -9.114 10.592 2.881 1.00 0.00 N ATOM 1082 CA ASN A 71 -9.375 12.026 2.836 1.00 0.00 C ATOM 1083 C ASN A 71 -10.815 12.329 3.237 1.00 0.00 C ATOM 1084 O ASN A 71 -11.080 13.285 3.967 1.00 0.00 O ATOM 1085 CB ASN A 71 -9.099 12.572 1.433 1.00 0.00 C ATOM 1086 CG ASN A 71 -7.645 12.955 1.238 1.00 0.00 C ATOM 1087 OD1 ASN A 71 -6.936 13.256 2.198 1.00 0.00 O ATOM 1088 ND2 ASN A 71 -7.194 12.945 -0.011 1.00 0.00 N ATOM 0 H ASN A 71 -8.549 10.242 2.107 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.708 12.514 3.546 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.377 11.822 0.693 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.729 13.444 1.255 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.224 13.194 -0.205 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -7.818 12.689 -0.776 1.00 0.00 H new ATOM 1095 N LYS A 72 -11.743 11.508 2.756 1.00 0.00 N ATOM 1096 CA LYS A 72 -13.157 11.686 3.066 1.00 0.00 C ATOM 1097 C LYS A 72 -13.346 12.127 4.514 1.00 0.00 C ATOM 1098 O LYS A 72 -13.984 13.145 4.784 1.00 0.00 O ATOM 1099 CB LYS A 72 -13.923 10.385 2.814 1.00 0.00 C ATOM 1100 CG LYS A 72 -14.051 10.030 1.343 1.00 0.00 C ATOM 1101 CD LYS A 72 -15.000 8.862 1.131 1.00 0.00 C ATOM 1102 CE LYS A 72 -14.912 8.322 -0.288 1.00 0.00 C ATOM 1103 NZ LYS A 72 -15.948 7.286 -0.552 1.00 0.00 N ATOM 0 H LYS A 72 -11.541 10.713 2.150 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.551 12.465 2.413 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.419 9.570 3.333 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.920 10.470 3.247 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -14.410 10.897 0.789 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -13.069 9.779 0.942 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -14.764 8.067 1.839 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -16.022 9.180 1.338 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -15.029 9.142 -0.997 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -13.922 7.897 -0.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -15.855 6.943 -1.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -15.821 6.492 0.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -16.893 7.698 -0.419 1.00 0.00 H new ATOM 1117 N TRP A 73 -12.787 11.356 5.440 1.00 0.00 N ATOM 1118 CA TRP A 73 -12.893 11.669 6.860 1.00 0.00 C ATOM 1119 C TRP A 73 -12.536 13.128 7.125 1.00 0.00 C ATOM 1120 O TRP A 73 -13.300 13.860 7.751 1.00 0.00 O ATOM 1121 CB TRP A 73 -11.981 10.752 7.675 1.00 0.00 C ATOM 1122 CG TRP A 73 -12.302 9.297 7.511 1.00 0.00 C ATOM 1123 CD1 TRP A 73 -11.542 8.357 6.875 1.00 0.00 C ATOM 1124 CD2 TRP A 73 -13.468 8.617 7.989 1.00 0.00 C ATOM 1125 NE1 TRP A 73 -12.166 7.133 6.929 1.00 0.00 N ATOM 1126 CE2 TRP A 73 -13.349 7.267 7.607 1.00 0.00 C ATOM 1127 CE3 TRP A 73 -14.600 9.018 8.703 1.00 0.00 C ATOM 1128 CZ2 TRP A 73 -14.319 6.318 7.916 1.00 0.00 C ATOM 1129 CZ3 TRP A 73 -15.563 8.075 9.009 1.00 0.00 C ATOM 1130 CH2 TRP A 73 -15.418 6.737 8.616 1.00 0.00 C ATOM 0 H TRP A 73 -12.256 10.510 5.233 1.00 0.00 H new ATOM 0 HA TRP A 73 -13.927 11.507 7.166 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -10.946 10.924 7.379 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -12.059 11.017 8.729 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.591 8.547 6.400 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -11.807 6.266 6.529 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -14.720 10.046 9.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -14.208 5.287 7.614 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -16.442 8.374 9.560 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -16.188 6.024 8.870 1.00 0.00 H new ATOM 1141 N GLY A 74 -11.368 13.543 6.643 1.00 0.00 N ATOM 1142 CA GLY A 74 -10.930 14.913 6.838 1.00 0.00 C ATOM 1143 C GLY A 74 -10.654 15.232 8.294 1.00 0.00 C ATOM 1144 O GLY A 74 -9.506 15.195 8.736 1.00 0.00 O ATOM 0 H GLY A 74 -10.718 12.955 6.121 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.027 15.089 6.253 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.693 15.593 6.459 1.00 0.00 H new ATOM 1148 N GLN A 75 -11.708 15.546 9.039 1.00 0.00 N ATOM 1149 CA GLN A 75 -11.572 15.875 10.453 1.00 0.00 C ATOM 1150 C GLN A 75 -11.034 14.684 11.240 1.00 0.00 C ATOM 1151 O GLN A 75 -10.086 14.816 12.015 1.00 0.00 O ATOM 1152 CB GLN A 75 -12.920 16.314 11.028 1.00 0.00 C ATOM 1153 CG GLN A 75 -12.914 16.471 12.540 1.00 0.00 C ATOM 1154 CD GLN A 75 -13.959 17.454 13.029 1.00 0.00 C ATOM 1155 OE1 GLN A 75 -13.994 18.607 12.597 1.00 0.00 O ATOM 1156 NE2 GLN A 75 -14.819 17.004 13.935 1.00 0.00 N ATOM 0 H GLN A 75 -12.665 15.580 8.688 1.00 0.00 H new ATOM 0 HA GLN A 75 -10.862 16.697 10.542 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -13.208 17.262 10.574 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -13.680 15.583 10.750 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -13.089 15.500 13.003 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -11.928 16.805 12.863 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -14.754 16.041 14.266 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -15.544 17.621 14.300 1.00 0.00 H new ATOM 1165 N TYR A 76 -11.645 13.522 11.036 1.00 0.00 N ATOM 1166 CA TYR A 76 -11.228 12.308 11.728 1.00 0.00 C ATOM 1167 C TYR A 76 -10.429 11.399 10.800 1.00 0.00 C ATOM 1168 O TYR A 76 -10.619 10.183 10.789 1.00 0.00 O ATOM 1169 CB TYR A 76 -12.449 11.559 12.267 1.00 0.00 C ATOM 1170 CG TYR A 76 -13.240 12.346 13.288 1.00 0.00 C ATOM 1171 CD1 TYR A 76 -12.886 12.329 14.632 1.00 0.00 C ATOM 1172 CD2 TYR A 76 -14.340 13.104 12.909 1.00 0.00 C ATOM 1173 CE1 TYR A 76 -13.606 13.046 15.568 1.00 0.00 C ATOM 1174 CE2 TYR A 76 -15.065 13.825 13.838 1.00 0.00 C ATOM 1175 CZ TYR A 76 -14.695 13.792 15.167 1.00 0.00 C ATOM 1176 OH TYR A 76 -15.415 14.507 16.096 1.00 0.00 O ATOM 0 H TYR A 76 -12.430 13.395 10.397 1.00 0.00 H new ATOM 0 HA TYR A 76 -10.589 12.597 12.562 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -13.103 11.300 11.434 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -12.121 10.622 12.718 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -12.034 11.746 14.950 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -14.634 13.130 11.870 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -13.318 13.023 16.609 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -15.917 14.411 13.526 1.00 0.00 H new ATOM 0 HH TYR A 76 -16.149 14.978 15.649 1.00 0.00 H new ATOM 1186 N ALA A 77 -9.532 11.998 10.024 1.00 0.00 N ATOM 1187 CA ALA A 77 -8.700 11.244 9.095 1.00 0.00 C ATOM 1188 C ALA A 77 -7.541 10.568 9.819 1.00 0.00 C ATOM 1189 O ALA A 77 -7.365 9.353 9.730 1.00 0.00 O ATOM 1190 CB ALA A 77 -8.178 12.156 7.994 1.00 0.00 C ATOM 0 H ALA A 77 -9.363 13.004 10.020 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.316 10.465 8.645 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.558 11.579 7.307 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.018 12.587 7.450 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.583 12.956 8.435 1.00 0.00 H new ATOM 1196 N SER A 78 -6.753 11.363 10.536 1.00 0.00 N ATOM 1197 CA SER A 78 -5.607 10.842 11.272 1.00 0.00 C ATOM 1198 C SER A 78 -6.021 9.678 12.167 1.00 0.00 C ATOM 1199 O SER A 78 -5.379 8.628 12.175 1.00 0.00 O ATOM 1200 CB SER A 78 -4.971 11.948 12.116 1.00 0.00 C ATOM 1201 OG SER A 78 -5.893 12.465 13.059 1.00 0.00 O ATOM 0 H SER A 78 -6.887 12.370 10.623 1.00 0.00 H new ATOM 0 HA SER A 78 -4.876 10.480 10.549 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.097 11.556 12.635 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.622 12.751 11.466 1.00 0.00 H new ATOM 0 HG SER A 78 -5.461 13.169 13.587 1.00 0.00 H new ATOM 1207 N ASP A 79 -7.098 9.873 12.920 1.00 0.00 N ATOM 1208 CA ASP A 79 -7.600 8.839 13.819 1.00 0.00 C ATOM 1209 C ASP A 79 -7.709 7.499 13.099 1.00 0.00 C ATOM 1210 O ASP A 79 -7.432 6.448 13.677 1.00 0.00 O ATOM 1211 CB ASP A 79 -8.963 9.242 14.383 1.00 0.00 C ATOM 1212 CG ASP A 79 -8.845 10.079 15.641 1.00 0.00 C ATOM 1213 OD1 ASP A 79 -8.147 11.113 15.602 1.00 0.00 O ATOM 1214 OD2 ASP A 79 -9.450 9.699 16.666 1.00 0.00 O ATOM 0 H ASP A 79 -7.640 10.737 12.926 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.893 8.732 14.641 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.514 9.802 13.628 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.543 8.345 14.600 1.00 0.00 H new ATOM 1219 N VAL A 80 -8.115 7.544 11.834 1.00 0.00 N ATOM 1220 CA VAL A 80 -8.261 6.333 11.035 1.00 0.00 C ATOM 1221 C VAL A 80 -6.910 5.673 10.784 1.00 0.00 C ATOM 1222 O VAL A 80 -5.987 6.304 10.270 1.00 0.00 O ATOM 1223 CB VAL A 80 -8.933 6.632 9.681 1.00 0.00 C ATOM 1224 CG1 VAL A 80 -9.006 5.372 8.832 1.00 0.00 C ATOM 1225 CG2 VAL A 80 -10.319 7.222 9.894 1.00 0.00 C ATOM 0 H VAL A 80 -8.349 8.406 11.341 1.00 0.00 H new ATOM 0 HA VAL A 80 -8.894 5.653 11.605 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.328 7.366 9.148 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.484 5.602 7.880 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.999 4.996 8.652 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -9.588 4.614 9.356 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.780 7.427 8.928 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -10.935 6.513 10.446 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -10.237 8.149 10.461 1.00 0.00 H new ATOM 1235 N GLN A 81 -6.802 4.401 11.151 1.00 0.00 N ATOM 1236 CA GLN A 81 -5.562 3.655 10.966 1.00 0.00 C ATOM 1237 C GLN A 81 -5.759 2.506 9.983 1.00 0.00 C ATOM 1238 O GLN A 81 -6.737 1.762 10.069 1.00 0.00 O ATOM 1239 CB GLN A 81 -5.062 3.115 12.307 1.00 0.00 C ATOM 1240 CG GLN A 81 -4.481 4.185 13.216 1.00 0.00 C ATOM 1241 CD GLN A 81 -3.616 3.608 14.319 1.00 0.00 C ATOM 1242 OE1 GLN A 81 -3.969 2.605 14.940 1.00 0.00 O ATOM 1243 NE2 GLN A 81 -2.475 4.240 14.569 1.00 0.00 N ATOM 0 H GLN A 81 -7.557 3.865 11.578 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.816 4.336 10.556 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -5.887 2.622 12.821 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -4.302 2.355 12.123 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -3.888 4.879 12.621 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -5.294 4.759 13.660 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.222 5.068 14.030 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -1.852 3.897 15.300 1.00 0.00 H new ATOM 1252 N LEU A 82 -4.825 2.368 9.048 1.00 0.00 N ATOM 1253 CA LEU A 82 -4.896 1.309 8.047 1.00 0.00 C ATOM 1254 C LEU A 82 -4.295 0.013 8.581 1.00 0.00 C ATOM 1255 O LEU A 82 -3.364 0.036 9.388 1.00 0.00 O ATOM 1256 CB LEU A 82 -4.167 1.736 6.772 1.00 0.00 C ATOM 1257 CG LEU A 82 -4.823 2.857 5.966 1.00 0.00 C ATOM 1258 CD1 LEU A 82 -5.933 2.302 5.086 1.00 0.00 C ATOM 1259 CD2 LEU A 82 -5.365 3.934 6.894 1.00 0.00 C ATOM 0 H LEU A 82 -4.010 2.976 8.962 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.946 1.132 7.815 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.159 2.052 7.042 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.065 0.864 6.126 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.067 3.306 5.322 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.389 3.114 4.520 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.518 1.567 4.396 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.689 1.827 5.711 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.828 4.724 6.303 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.107 3.498 7.563 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.548 4.352 7.482 1.00 0.00 H new ATOM 1271 N ILE A 83 -4.830 -1.114 8.125 1.00 0.00 N ATOM 1272 CA ILE A 83 -4.343 -2.419 8.555 1.00 0.00 C ATOM 1273 C ILE A 83 -4.347 -3.415 7.400 1.00 0.00 C ATOM 1274 O ILE A 83 -5.394 -3.707 6.820 1.00 0.00 O ATOM 1275 CB ILE A 83 -5.193 -2.985 9.708 1.00 0.00 C ATOM 1276 CG1 ILE A 83 -5.101 -2.073 10.933 1.00 0.00 C ATOM 1277 CG2 ILE A 83 -4.742 -4.396 10.056 1.00 0.00 C ATOM 1278 CD1 ILE A 83 -6.193 -2.317 11.951 1.00 0.00 C ATOM 0 H ILE A 83 -5.601 -1.150 7.458 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.321 -2.275 8.904 1.00 0.00 H new ATOM 0 HB ILE A 83 -6.234 -3.027 9.386 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.132 -2.216 11.411 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.145 -1.034 10.607 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -5.352 -4.782 10.872 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -4.854 -5.039 9.183 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.696 -4.379 10.362 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.065 -1.636 12.792 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -7.166 -2.146 11.490 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -6.136 -3.346 12.306 1.00 0.00 H new ATOM 1290 N LEU A 84 -3.169 -3.934 7.071 1.00 0.00 N ATOM 1291 CA LEU A 84 -3.036 -4.900 5.985 1.00 0.00 C ATOM 1292 C LEU A 84 -3.384 -6.306 6.462 1.00 0.00 C ATOM 1293 O LEU A 84 -2.646 -6.909 7.242 1.00 0.00 O ATOM 1294 CB LEU A 84 -1.612 -4.876 5.427 1.00 0.00 C ATOM 1295 CG LEU A 84 -1.435 -5.430 4.013 1.00 0.00 C ATOM 1296 CD1 LEU A 84 -2.008 -4.466 2.987 1.00 0.00 C ATOM 1297 CD2 LEU A 84 0.034 -5.705 3.728 1.00 0.00 C ATOM 0 H LEU A 84 -2.293 -3.703 7.540 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.734 -4.621 5.195 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.256 -3.846 5.439 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.970 -5.443 6.101 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.980 -6.371 3.941 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.873 -4.877 1.986 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.071 -4.320 3.179 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.491 -3.509 3.059 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.141 -6.099 2.717 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.602 -4.779 3.819 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.413 -6.435 4.444 1.00 0.00 H new ATOM 1309 N ARG A 85 -4.511 -6.825 5.986 1.00 0.00 N ATOM 1310 CA ARG A 85 -4.957 -8.161 6.362 1.00 0.00 C ATOM 1311 C ARG A 85 -5.165 -9.033 5.128 1.00 0.00 C ATOM 1312 O ARG A 85 -5.602 -8.552 4.082 1.00 0.00 O ATOM 1313 CB ARG A 85 -6.255 -8.081 7.168 1.00 0.00 C ATOM 1314 CG ARG A 85 -6.873 -9.438 7.463 1.00 0.00 C ATOM 1315 CD ARG A 85 -8.121 -9.306 8.322 1.00 0.00 C ATOM 1316 NE ARG A 85 -7.806 -9.317 9.748 1.00 0.00 N ATOM 1317 CZ ARG A 85 -8.726 -9.397 10.703 1.00 0.00 C ATOM 1318 NH1 ARG A 85 -10.011 -9.473 10.385 1.00 0.00 N ATOM 1319 NH2 ARG A 85 -8.362 -9.401 11.979 1.00 0.00 N ATOM 0 H ARG A 85 -5.132 -6.340 5.339 1.00 0.00 H new ATOM 0 HA ARG A 85 -4.181 -8.615 6.979 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.057 -7.569 8.110 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.976 -7.474 6.620 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -7.125 -9.936 6.527 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -6.144 -10.068 7.973 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.637 -8.379 8.072 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.806 -10.123 8.095 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.826 -9.260 10.026 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -10.295 -9.470 9.405 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -10.716 -9.534 11.120 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -7.375 -9.343 12.228 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -9.070 -9.462 12.711 1.00 0.00 H new ATOM 1333 N ARG A 86 -4.848 -10.317 5.256 1.00 0.00 N ATOM 1334 CA ARG A 86 -4.998 -11.256 4.151 1.00 0.00 C ATOM 1335 C ARG A 86 -6.422 -11.802 4.091 1.00 0.00 C ATOM 1336 O ARG A 86 -7.070 -11.991 5.121 1.00 0.00 O ATOM 1337 CB ARG A 86 -4.003 -12.409 4.294 1.00 0.00 C ATOM 1338 CG ARG A 86 -4.407 -13.436 5.339 1.00 0.00 C ATOM 1339 CD ARG A 86 -4.097 -12.950 6.746 1.00 0.00 C ATOM 1340 NE ARG A 86 -3.866 -14.058 7.669 1.00 0.00 N ATOM 1341 CZ ARG A 86 -4.841 -14.785 8.203 1.00 0.00 C ATOM 1342 NH1 ARG A 86 -6.106 -14.523 7.907 1.00 0.00 N ATOM 1343 NH2 ARG A 86 -4.550 -15.777 9.035 1.00 0.00 N ATOM 0 H ARG A 86 -4.485 -10.731 6.115 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.793 -10.722 3.223 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.896 -12.907 3.330 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.025 -12.004 4.554 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -5.473 -13.645 5.252 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.882 -14.373 5.152 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.216 -12.308 6.722 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.925 -12.341 7.110 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.903 -14.286 7.917 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.333 -13.761 7.268 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -6.853 -15.083 8.319 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.577 -15.981 9.265 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -5.299 -16.335 9.445 1.00 0.00 H new