USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 794 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 17 GLN : amide:sc= 0.729 K(o=0.73,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.107) USER MOD Single : A 27 ASN : amide:sc= -0.0505 K(o=-0.05,f=-2.1!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= -0.52 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS :FLIP no HD1:sc= -0.286 F(o=-0.83,f=-0.29) USER MOD Single : A 44 THR OG1 : rot 27:sc= 0.2 USER MOD Single : A 46 GLN : amide:sc= -0.224 K(o=-0.22,f=-0.97) USER MOD Single : A 55 HIS : no HE2:sc= -0.247 K(o=-0.25,f=-1.1) USER MOD Single : A 57 ASN : amide:sc= -0.574 K(o=-0.57,f=-1.3) USER MOD Single : A 62 LYS NZ :NH3+ -157:sc= -0.434 (180deg=-0.468) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 CYS SG : rot -32:sc= -0.503 USER MOD Single : A 77 SER OG : rot 170:sc= -0.122 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.0144 X(o=-0.014,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HD1:sc= -0.747 X(o=-0.75,f=-0.4) USER MOD Single : A 95 CYS SG : rot 94:sc= -4.65! USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl 172:sc= -2.7 (180deg=-2.75) USER MOD Single : A 113 ASN : amide:sc= -2.15! C(o=-2.1!,f=-5!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot -13:sc= 0.707 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -0.570 6.260 9.201 1.00 0.00 N ATOM 67 CA LEU A 8 -1.076 4.970 8.743 1.00 0.00 C ATOM 68 C LEU A 8 -2.255 5.154 7.793 1.00 0.00 C ATOM 69 O LEU A 8 -3.127 5.992 8.023 1.00 0.00 O ATOM 70 CB LEU A 8 -1.498 4.113 9.938 1.00 0.00 C ATOM 71 CG LEU A 8 -2.048 2.725 9.607 1.00 0.00 C ATOM 72 CD1 LEU A 8 -0.922 1.789 9.197 1.00 0.00 C ATOM 73 CD2 LEU A 8 -2.811 2.157 10.795 1.00 0.00 C ATOM 0 HA LEU A 8 -0.275 4.463 8.205 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.637 3.993 10.596 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.256 4.658 10.501 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.738 2.819 8.769 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.332 0.806 8.965 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.419 2.189 8.317 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.207 1.700 10.015 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.195 1.169 10.542 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.143 2.078 11.652 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.642 2.817 11.043 1.00 0.00 H new ATOM 85 N VAL A 9 -2.275 4.362 6.725 1.00 0.00 N ATOM 86 CA VAL A 9 -3.349 4.435 5.741 1.00 0.00 C ATOM 87 C VAL A 9 -4.447 3.424 6.051 1.00 0.00 C ATOM 88 O VAL A 9 -5.603 3.793 6.260 1.00 0.00 O ATOM 89 CB VAL A 9 -2.822 4.183 4.316 1.00 0.00 C ATOM 90 CG1 VAL A 9 -3.925 4.402 3.292 1.00 0.00 C ATOM 91 CG2 VAL A 9 -1.626 5.077 4.024 1.00 0.00 C ATOM 0 H VAL A 9 -1.561 3.663 6.519 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.761 5.443 5.795 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.496 3.145 4.246 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.534 4.219 2.291 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.748 3.715 3.491 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.285 5.429 3.359 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.267 4.885 3.013 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.923 6.122 4.112 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.830 4.865 4.738 1.00 0.00 H new ATOM 101 N ARG A 10 -4.079 2.147 6.078 1.00 0.00 N ATOM 102 CA ARG A 10 -5.033 1.083 6.362 1.00 0.00 C ATOM 103 C ARG A 10 -4.317 -0.177 6.840 1.00 0.00 C ATOM 104 O ARG A 10 -3.194 -0.461 6.424 1.00 0.00 O ATOM 105 CB ARG A 10 -5.864 0.768 5.117 1.00 0.00 C ATOM 106 CG ARG A 10 -7.128 -0.023 5.411 1.00 0.00 C ATOM 107 CD ARG A 10 -8.080 -0.013 4.226 1.00 0.00 C ATOM 108 NE ARG A 10 -8.636 1.315 3.981 1.00 0.00 N ATOM 109 CZ ARG A 10 -9.239 1.662 2.850 1.00 0.00 C ATOM 110 NH1 ARG A 10 -9.364 0.784 1.864 1.00 0.00 N ATOM 111 NH2 ARG A 10 -9.719 2.891 2.702 1.00 0.00 N ATOM 0 H ARG A 10 -3.127 1.825 5.907 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.696 1.427 7.156 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.136 1.703 4.627 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.250 0.206 4.413 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.865 -1.051 5.659 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.627 0.398 6.284 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.553 -0.355 3.335 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -8.891 -0.718 4.407 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.557 2.014 4.719 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -8.996 -0.161 1.973 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.828 1.054 0.997 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -9.625 3.570 3.458 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.182 3.156 1.833 1.00 0.00 H new ATOM 125 N GLY A 11 -4.974 -0.928 7.719 1.00 0.00 N ATOM 126 CA GLY A 11 -4.384 -2.148 8.240 1.00 0.00 C ATOM 127 C GLY A 11 -5.220 -3.374 7.930 1.00 0.00 C ATOM 128 O GLY A 11 -6.030 -3.364 7.005 1.00 0.00 O ATOM 0 H GLY A 11 -5.904 -0.714 8.080 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -3.387 -2.275 7.818 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.263 -2.058 9.320 1.00 0.00 H new ATOM 132 N GLY A 12 -5.021 -4.435 8.707 1.00 0.00 N ATOM 133 CA GLY A 12 -5.768 -5.661 8.493 1.00 0.00 C ATOM 134 C GLY A 12 -4.868 -6.871 8.348 1.00 0.00 C ATOM 135 O GLY A 12 -3.676 -6.737 8.068 1.00 0.00 O ATOM 0 H GLY A 12 -4.356 -4.467 9.480 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -6.450 -5.818 9.329 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -6.380 -5.558 7.597 1.00 0.00 H new ATOM 139 N TRP A 13 -5.437 -8.056 8.541 1.00 0.00 N ATOM 140 CA TRP A 13 -4.676 -9.296 8.431 1.00 0.00 C ATOM 141 C TRP A 13 -4.861 -9.928 7.056 1.00 0.00 C ATOM 142 O TRP A 13 -5.957 -9.908 6.495 1.00 0.00 O ATOM 143 CB TRP A 13 -5.105 -10.279 9.521 1.00 0.00 C ATOM 144 CG TRP A 13 -4.615 -9.904 10.887 1.00 0.00 C ATOM 145 CD1 TRP A 13 -4.994 -8.818 11.624 1.00 0.00 C ATOM 146 CD2 TRP A 13 -3.654 -10.612 11.677 1.00 0.00 C ATOM 147 NE1 TRP A 13 -4.326 -8.809 12.825 1.00 0.00 N ATOM 148 CE2 TRP A 13 -3.499 -9.899 12.882 1.00 0.00 C ATOM 149 CE3 TRP A 13 -2.911 -11.780 11.485 1.00 0.00 C ATOM 150 CZ2 TRP A 13 -2.630 -10.317 13.887 1.00 0.00 C ATOM 151 CZ3 TRP A 13 -2.049 -12.193 12.483 1.00 0.00 C ATOM 152 CH2 TRP A 13 -1.915 -11.464 13.672 1.00 0.00 C ATOM 0 H TRP A 13 -6.422 -8.184 8.774 1.00 0.00 H new ATOM 0 HA TRP A 13 -3.620 -9.059 8.561 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -6.193 -10.340 9.537 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -4.734 -11.273 9.270 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -5.713 -8.076 11.309 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -4.429 -8.105 13.555 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -3.009 -12.350 10.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -2.524 -9.756 14.804 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -1.469 -13.093 12.344 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.234 -11.814 14.434 1.00 0.00 H new ATOM 163 N LEU A 14 -3.784 -10.489 6.518 1.00 0.00 N ATOM 164 CA LEU A 14 -3.828 -11.129 5.208 1.00 0.00 C ATOM 165 C LEU A 14 -2.937 -12.366 5.175 1.00 0.00 C ATOM 166 O LEU A 14 -1.868 -12.389 5.787 1.00 0.00 O ATOM 167 CB LEU A 14 -3.392 -10.143 4.123 1.00 0.00 C ATOM 168 CG LEU A 14 -4.168 -8.827 4.060 1.00 0.00 C ATOM 169 CD1 LEU A 14 -3.295 -7.719 3.491 1.00 0.00 C ATOM 170 CD2 LEU A 14 -5.433 -8.992 3.230 1.00 0.00 C ATOM 0 H LEU A 14 -2.869 -10.514 6.969 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.855 -11.440 5.017 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.337 -9.913 4.272 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.476 -10.638 3.155 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.457 -8.549 5.074 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.864 -6.790 3.454 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.420 -7.583 4.126 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.975 -7.989 2.485 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.972 -8.045 3.196 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.167 -9.294 2.217 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.067 -9.755 3.681 1.00 0.00 H new ATOM 182 N TRP A 15 -3.381 -13.391 4.457 1.00 0.00 N ATOM 183 CA TRP A 15 -2.622 -14.631 4.343 1.00 0.00 C ATOM 184 C TRP A 15 -1.418 -14.449 3.425 1.00 0.00 C ATOM 185 O TRP A 15 -1.569 -14.149 2.240 1.00 0.00 O ATOM 186 CB TRP A 15 -3.517 -15.754 3.815 1.00 0.00 C ATOM 187 CG TRP A 15 -4.424 -16.330 4.859 1.00 0.00 C ATOM 188 CD1 TRP A 15 -5.782 -16.201 4.927 1.00 0.00 C ATOM 189 CD2 TRP A 15 -4.038 -17.125 5.986 1.00 0.00 C ATOM 190 NE1 TRP A 15 -6.263 -16.868 6.028 1.00 0.00 N ATOM 191 CE2 TRP A 15 -5.213 -17.444 6.693 1.00 0.00 C ATOM 192 CE3 TRP A 15 -2.814 -17.601 6.464 1.00 0.00 C ATOM 193 CZ2 TRP A 15 -5.198 -18.215 7.853 1.00 0.00 C ATOM 194 CZ3 TRP A 15 -2.800 -18.365 7.615 1.00 0.00 C ATOM 195 CH2 TRP A 15 -3.986 -18.667 8.299 1.00 0.00 C ATOM 0 H TRP A 15 -4.263 -13.388 3.945 1.00 0.00 H new ATOM 0 HA TRP A 15 -2.261 -14.900 5.336 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -4.120 -15.372 2.991 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -2.890 -16.548 3.410 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -6.389 -15.655 4.220 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.243 -16.925 6.305 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -1.895 -17.376 5.943 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.111 -18.448 8.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -1.859 -18.736 7.994 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -3.942 -19.268 9.195 1.00 0.00 H new ATOM 206 N ARG A 16 -0.224 -14.633 3.979 1.00 0.00 N ATOM 207 CA ARG A 16 1.005 -14.489 3.209 1.00 0.00 C ATOM 208 C ARG A 16 1.662 -15.846 2.974 1.00 0.00 C ATOM 209 O ARG A 16 1.783 -16.655 3.893 1.00 0.00 O ATOM 210 CB ARG A 16 1.979 -13.557 3.933 1.00 0.00 C ATOM 211 CG ARG A 16 3.439 -13.833 3.612 1.00 0.00 C ATOM 212 CD ARG A 16 4.321 -12.647 3.967 1.00 0.00 C ATOM 213 NE ARG A 16 4.795 -12.711 5.347 1.00 0.00 N ATOM 214 CZ ARG A 16 5.868 -13.396 5.725 1.00 0.00 C ATOM 215 NH1 ARG A 16 6.576 -14.072 4.831 1.00 0.00 N ATOM 216 NH2 ARG A 16 6.236 -13.405 7.000 1.00 0.00 N ATOM 0 H ARG A 16 -0.082 -14.882 4.958 1.00 0.00 H new ATOM 0 HA ARG A 16 0.750 -14.056 2.242 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.746 -12.526 3.668 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.828 -13.652 5.008 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.773 -14.713 4.161 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.543 -14.060 2.551 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.176 -12.616 3.291 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.763 -11.723 3.818 1.00 0.00 H new ATOM 0 HE ARG A 16 4.273 -12.201 6.060 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.297 -14.067 3.850 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.400 -14.597 5.124 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.694 -12.885 7.691 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.060 -13.932 7.289 1.00 0.00 H new ATOM 230 N GLN A 17 2.085 -16.087 1.737 1.00 0.00 N ATOM 231 CA GLN A 17 2.728 -17.346 1.382 1.00 0.00 C ATOM 232 C GLN A 17 4.231 -17.280 1.633 1.00 0.00 C ATOM 233 O GLN A 17 4.898 -16.333 1.217 1.00 0.00 O ATOM 234 CB GLN A 17 2.459 -17.685 -0.086 1.00 0.00 C ATOM 235 CG GLN A 17 2.577 -19.167 -0.400 1.00 0.00 C ATOM 236 CD GLN A 17 2.153 -19.499 -1.817 1.00 0.00 C ATOM 237 OE1 GLN A 17 2.918 -20.083 -2.585 1.00 0.00 O ATOM 238 NE2 GLN A 17 0.928 -19.128 -2.171 1.00 0.00 N ATOM 0 H GLN A 17 1.994 -15.427 0.965 1.00 0.00 H new ATOM 0 HA GLN A 17 2.307 -18.130 2.012 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.458 -17.345 -0.351 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.160 -17.133 -0.712 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.609 -19.485 -0.250 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.963 -19.733 0.301 1.00 0.00 H new ATOM 0 HE21 GLN A 17 0.328 -18.646 -1.502 1.00 0.00 H new ATOM 0 HE22 GLN A 17 0.587 -19.325 -3.112 1.00 0.00 H new ATOM 331 N ARG A 23 3.686 -22.371 2.348 1.00 0.00 N ATOM 332 CA ARG A 23 2.420 -22.393 3.071 1.00 0.00 C ATOM 333 C ARG A 23 1.995 -20.982 3.468 1.00 0.00 C ATOM 334 O ARG A 23 2.835 -20.116 3.710 1.00 0.00 O ATOM 335 CB ARG A 23 2.536 -23.272 4.318 1.00 0.00 C ATOM 336 CG ARG A 23 2.146 -24.722 4.080 1.00 0.00 C ATOM 337 CD ARG A 23 2.514 -25.599 5.266 1.00 0.00 C ATOM 338 NE ARG A 23 2.042 -26.971 5.099 1.00 0.00 N ATOM 339 CZ ARG A 23 0.789 -27.350 5.328 1.00 0.00 C ATOM 340 NH1 ARG A 23 -0.112 -26.465 5.731 1.00 0.00 N ATOM 341 NH2 ARG A 23 0.436 -28.617 5.153 1.00 0.00 N ATOM 0 HA ARG A 23 1.660 -22.810 2.410 1.00 0.00 H new ATOM 0 HB2 ARG A 23 3.562 -23.236 4.683 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.903 -22.859 5.104 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.073 -24.786 3.897 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.645 -25.092 3.184 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.597 -25.601 5.393 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.087 -25.177 6.176 1.00 0.00 H new ATOM 0 HE ARG A 23 2.710 -27.677 4.790 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.156 -25.490 5.866 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.073 -26.759 5.906 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.126 -29.301 4.843 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.526 -28.907 5.329 1.00 0.00 H new ATOM 355 N TRP A 24 0.687 -20.760 3.531 1.00 0.00 N ATOM 356 CA TRP A 24 0.151 -19.454 3.897 1.00 0.00 C ATOM 357 C TRP A 24 0.300 -19.205 5.394 1.00 0.00 C ATOM 358 O TRP A 24 0.234 -20.135 6.198 1.00 0.00 O ATOM 359 CB TRP A 24 -1.321 -19.353 3.495 1.00 0.00 C ATOM 360 CG TRP A 24 -1.537 -19.411 2.013 1.00 0.00 C ATOM 361 CD1 TRP A 24 -1.746 -20.530 1.259 1.00 0.00 C ATOM 362 CD2 TRP A 24 -1.563 -18.303 1.107 1.00 0.00 C ATOM 363 NE1 TRP A 24 -1.900 -20.184 -0.062 1.00 0.00 N ATOM 364 CE2 TRP A 24 -1.794 -18.824 -0.182 1.00 0.00 C ATOM 365 CE3 TRP A 24 -1.417 -16.922 1.258 1.00 0.00 C ATOM 366 CZ2 TRP A 24 -1.879 -18.011 -1.309 1.00 0.00 C ATOM 367 CZ3 TRP A 24 -1.502 -16.116 0.139 1.00 0.00 C ATOM 368 CH2 TRP A 24 -1.732 -16.662 -1.131 1.00 0.00 C ATOM 0 H TRP A 24 -0.021 -21.467 3.334 1.00 0.00 H new ATOM 0 HA TRP A 24 0.719 -18.693 3.362 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -1.876 -20.163 3.968 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -1.732 -18.419 3.879 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -1.785 -21.538 1.644 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -2.066 -20.835 -0.829 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -1.241 -16.492 2.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -2.055 -18.430 -2.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -1.389 -15.047 0.245 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -1.794 -16.005 -1.986 1.00 0.00 H new ATOM 379 N LYS A 25 0.501 -17.944 5.763 1.00 0.00 N ATOM 380 CA LYS A 25 0.658 -17.572 7.164 1.00 0.00 C ATOM 381 C LYS A 25 -0.015 -16.234 7.450 1.00 0.00 C ATOM 382 O LYS A 25 0.084 -15.297 6.658 1.00 0.00 O ATOM 383 CB LYS A 25 2.142 -17.497 7.530 1.00 0.00 C ATOM 384 CG LYS A 25 2.931 -16.519 6.676 1.00 0.00 C ATOM 385 CD LYS A 25 4.192 -16.053 7.382 1.00 0.00 C ATOM 386 CE LYS A 25 5.279 -17.116 7.342 1.00 0.00 C ATOM 387 NZ LYS A 25 6.613 -16.560 7.699 1.00 0.00 N ATOM 0 H LYS A 25 0.559 -17.162 5.110 1.00 0.00 H new ATOM 0 HA LYS A 25 0.178 -18.338 7.773 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.235 -17.209 8.577 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.582 -18.489 7.432 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.196 -16.992 5.731 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.307 -15.658 6.437 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.557 -15.140 6.912 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.960 -15.807 8.418 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.025 -17.921 8.032 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.323 -17.553 6.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.303 -17.335 7.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.920 -15.895 6.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.549 -16.062 8.610 1.00 0.00 H new ATOM 401 N ARG A 26 -0.698 -16.151 8.587 1.00 0.00 N ATOM 402 CA ARG A 26 -1.388 -14.927 8.977 1.00 0.00 C ATOM 403 C ARG A 26 -0.389 -13.843 9.370 1.00 0.00 C ATOM 404 O ARG A 26 0.595 -14.111 10.058 1.00 0.00 O ATOM 405 CB ARG A 26 -2.342 -15.203 10.141 1.00 0.00 C ATOM 406 CG ARG A 26 -3.716 -15.681 9.702 1.00 0.00 C ATOM 407 CD ARG A 26 -4.381 -16.528 10.775 1.00 0.00 C ATOM 408 NE ARG A 26 -4.821 -15.724 11.912 1.00 0.00 N ATOM 409 CZ ARG A 26 -5.703 -16.145 12.812 1.00 0.00 C ATOM 410 NH1 ARG A 26 -6.234 -17.355 12.709 1.00 0.00 N ATOM 411 NH2 ARG A 26 -6.053 -15.355 13.819 1.00 0.00 N ATOM 0 H ARG A 26 -0.788 -16.917 9.254 1.00 0.00 H new ATOM 0 HA ARG A 26 -1.963 -14.574 8.121 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.897 -15.954 10.794 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.454 -14.293 10.731 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.346 -14.821 9.474 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.624 -16.261 8.784 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.237 -17.049 10.347 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.683 -17.291 11.119 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.430 -14.788 12.021 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.966 -17.966 11.937 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -6.911 -17.676 13.401 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.645 -14.424 13.902 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.730 -15.679 14.510 1.00 0.00 H new ATOM 425 N ASN A 27 -0.650 -12.617 8.927 1.00 0.00 N ATOM 426 CA ASN A 27 0.227 -11.492 9.231 1.00 0.00 C ATOM 427 C ASN A 27 -0.564 -10.189 9.303 1.00 0.00 C ATOM 428 O ASN A 27 -1.769 -10.169 9.048 1.00 0.00 O ATOM 429 CB ASN A 27 1.328 -11.376 8.175 1.00 0.00 C ATOM 430 CG ASN A 27 2.468 -12.346 8.419 1.00 0.00 C ATOM 431 OD1 ASN A 27 2.425 -13.494 7.977 1.00 0.00 O ATOM 432 ND2 ASN A 27 3.494 -11.886 9.125 1.00 0.00 N ATOM 0 H ASN A 27 -1.461 -12.378 8.357 1.00 0.00 H new ATOM 0 HA ASN A 27 0.684 -11.673 10.204 1.00 0.00 H new ATOM 0 HB2 ASN A 27 0.902 -11.561 7.189 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.716 -10.357 8.169 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.291 -12.492 9.321 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.486 -10.927 9.471 1.00 0.00 H new ATOM 439 N TRP A 28 0.120 -9.106 9.650 1.00 0.00 N ATOM 440 CA TRP A 28 -0.518 -7.799 9.754 1.00 0.00 C ATOM 441 C TRP A 28 0.231 -6.759 8.928 1.00 0.00 C ATOM 442 O TRP A 28 1.315 -6.316 9.307 1.00 0.00 O ATOM 443 CB TRP A 28 -0.584 -7.356 11.217 1.00 0.00 C ATOM 444 CG TRP A 28 -1.329 -6.070 11.415 1.00 0.00 C ATOM 445 CD1 TRP A 28 -2.684 -5.902 11.433 1.00 0.00 C ATOM 446 CD2 TRP A 28 -0.759 -4.773 11.621 1.00 0.00 C ATOM 447 NE1 TRP A 28 -2.991 -4.578 11.638 1.00 0.00 N ATOM 448 CE2 TRP A 28 -1.827 -3.865 11.757 1.00 0.00 C ATOM 449 CE3 TRP A 28 0.550 -4.290 11.707 1.00 0.00 C ATOM 450 CZ2 TRP A 28 -1.625 -2.505 11.973 1.00 0.00 C ATOM 451 CZ3 TRP A 28 0.749 -2.940 11.920 1.00 0.00 C ATOM 452 CH2 TRP A 28 -0.334 -2.060 12.052 1.00 0.00 C ATOM 0 H TRP A 28 1.117 -9.107 9.864 1.00 0.00 H new ATOM 0 HA TRP A 28 -1.531 -7.885 9.361 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.062 -8.139 11.805 1.00 0.00 H new ATOM 0 HB3 TRP A 28 0.430 -7.243 11.601 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.408 -6.693 11.305 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -3.932 -4.189 11.693 1.00 0.00 H new ATOM 0 HE3 TRP A 28 1.391 -4.961 11.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -2.458 -1.825 12.075 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 1.756 -2.556 11.986 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -0.145 -1.010 12.219 1.00 0.00 H new ATOM 463 N PHE A 29 -0.354 -6.374 7.799 1.00 0.00 N ATOM 464 CA PHE A 29 0.260 -5.386 6.919 1.00 0.00 C ATOM 465 C PHE A 29 -0.263 -3.986 7.225 1.00 0.00 C ATOM 466 O PHE A 29 -1.407 -3.817 7.648 1.00 0.00 O ATOM 467 CB PHE A 29 -0.013 -5.736 5.455 1.00 0.00 C ATOM 468 CG PHE A 29 0.668 -6.997 5.003 1.00 0.00 C ATOM 469 CD1 PHE A 29 0.315 -8.223 5.544 1.00 0.00 C ATOM 470 CD2 PHE A 29 1.662 -6.955 4.039 1.00 0.00 C ATOM 471 CE1 PHE A 29 0.939 -9.384 5.130 1.00 0.00 C ATOM 472 CE2 PHE A 29 2.290 -8.114 3.621 1.00 0.00 C ATOM 473 CZ PHE A 29 1.929 -9.329 4.168 1.00 0.00 C ATOM 0 H PHE A 29 -1.252 -6.731 7.472 1.00 0.00 H new ATOM 0 HA PHE A 29 1.336 -5.399 7.094 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.088 -5.841 5.309 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.315 -4.909 4.825 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.457 -8.271 6.298 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.950 -6.007 3.609 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.653 -10.334 5.558 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.062 -8.069 2.867 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.420 -10.235 3.844 1.00 0.00 H new ATOM 483 N ALA A 30 0.582 -2.984 7.007 1.00 0.00 N ATOM 484 CA ALA A 30 0.206 -1.598 7.257 1.00 0.00 C ATOM 485 C ALA A 30 0.947 -0.650 6.321 1.00 0.00 C ATOM 486 O ALA A 30 2.174 -0.694 6.221 1.00 0.00 O ATOM 487 CB ALA A 30 0.479 -1.231 8.708 1.00 0.00 C ATOM 0 H ALA A 30 1.532 -3.106 6.657 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.862 -1.497 7.062 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.194 -0.193 8.881 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.101 -1.881 9.363 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.541 -1.356 8.921 1.00 0.00 H new ATOM 493 N LEU A 31 0.196 0.206 5.637 1.00 0.00 N ATOM 494 CA LEU A 31 0.783 1.165 4.708 1.00 0.00 C ATOM 495 C LEU A 31 1.074 2.491 5.405 1.00 0.00 C ATOM 496 O LEU A 31 0.258 2.988 6.180 1.00 0.00 O ATOM 497 CB LEU A 31 -0.155 1.395 3.522 1.00 0.00 C ATOM 498 CG LEU A 31 0.343 2.366 2.450 1.00 0.00 C ATOM 499 CD1 LEU A 31 1.552 1.792 1.729 1.00 0.00 C ATOM 500 CD2 LEU A 31 -0.769 2.684 1.461 1.00 0.00 C ATOM 0 H LEU A 31 -0.820 0.256 5.708 1.00 0.00 H new ATOM 0 HA LEU A 31 1.724 0.752 4.345 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.352 0.433 3.049 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.107 1.764 3.904 1.00 0.00 H new ATOM 0 HG LEU A 31 0.644 3.293 2.938 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.892 2.497 0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.354 1.616 2.446 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.278 0.850 1.253 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.397 3.376 0.705 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.101 1.765 0.979 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.607 3.139 1.989 1.00 0.00 H new ATOM 512 N TRP A 32 2.241 3.058 5.121 1.00 0.00 N ATOM 513 CA TRP A 32 2.639 4.327 5.720 1.00 0.00 C ATOM 514 C TRP A 32 2.622 5.446 4.684 1.00 0.00 C ATOM 515 O TRP A 32 2.885 5.216 3.503 1.00 0.00 O ATOM 516 CB TRP A 32 4.033 4.208 6.337 1.00 0.00 C ATOM 517 CG TRP A 32 4.141 3.111 7.353 1.00 0.00 C ATOM 518 CD1 TRP A 32 4.856 1.953 7.235 1.00 0.00 C ATOM 519 CD2 TRP A 32 3.514 3.069 8.639 1.00 0.00 C ATOM 520 NE1 TRP A 32 4.710 1.194 8.371 1.00 0.00 N ATOM 521 CE2 TRP A 32 3.893 1.856 9.248 1.00 0.00 C ATOM 522 CE3 TRP A 32 2.671 3.938 9.337 1.00 0.00 C ATOM 523 CZ2 TRP A 32 3.455 1.493 10.518 1.00 0.00 C ATOM 524 CZ3 TRP A 32 2.238 3.576 10.598 1.00 0.00 C ATOM 525 CH2 TRP A 32 2.630 2.363 11.179 1.00 0.00 C ATOM 0 H TRP A 32 2.928 2.660 4.480 1.00 0.00 H new ATOM 0 HA TRP A 32 1.922 4.571 6.504 1.00 0.00 H new ATOM 0 HB2 TRP A 32 4.760 4.032 5.544 1.00 0.00 H new ATOM 0 HB3 TRP A 32 4.297 5.156 6.806 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.448 1.675 6.376 1.00 0.00 H new ATOM 0 HE1 TRP A 32 5.141 0.284 8.535 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.363 4.876 8.898 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 3.755 0.558 10.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 1.586 4.240 11.146 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.275 2.109 12.167 1.00 0.00 H new ATOM 536 N LEU A 33 2.311 6.657 5.133 1.00 0.00 N ATOM 537 CA LEU A 33 2.260 7.813 4.244 1.00 0.00 C ATOM 538 C LEU A 33 3.603 8.029 3.554 1.00 0.00 C ATOM 539 O LEU A 33 3.671 8.624 2.479 1.00 0.00 O ATOM 540 CB LEU A 33 1.868 9.067 5.028 1.00 0.00 C ATOM 541 CG LEU A 33 0.506 9.027 5.722 1.00 0.00 C ATOM 542 CD1 LEU A 33 -0.121 10.412 5.747 1.00 0.00 C ATOM 543 CD2 LEU A 33 -0.416 8.034 5.029 1.00 0.00 C ATOM 0 H LEU A 33 2.090 6.864 6.107 1.00 0.00 H new ATOM 0 HA LEU A 33 1.507 7.620 3.480 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.632 9.253 5.782 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.881 9.917 4.345 1.00 0.00 H new ATOM 0 HG LEU A 33 0.653 8.699 6.751 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.090 10.364 6.245 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.532 11.097 6.288 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.255 10.769 4.726 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.381 8.018 5.536 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.557 8.332 3.990 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.028 7.039 5.064 1.00 0.00 H new ATOM 555 N ASP A 34 4.668 7.540 4.179 1.00 0.00 N ATOM 556 CA ASP A 34 6.010 7.676 3.624 1.00 0.00 C ATOM 557 C ASP A 34 6.156 6.854 2.347 1.00 0.00 C ATOM 558 O ASP A 34 7.180 6.919 1.669 1.00 0.00 O ATOM 559 CB ASP A 34 7.056 7.239 4.650 1.00 0.00 C ATOM 560 CG ASP A 34 7.400 8.341 5.633 1.00 0.00 C ATOM 561 OD1 ASP A 34 8.056 9.321 5.220 1.00 0.00 O ATOM 562 OD2 ASP A 34 7.011 8.225 6.814 1.00 0.00 O ATOM 0 H ASP A 34 4.628 7.046 5.070 1.00 0.00 H new ATOM 0 HA ASP A 34 6.170 8.726 3.379 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.684 6.372 5.196 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.961 6.924 4.130 1.00 0.00 H new ATOM 567 N GLY A 35 5.124 6.078 2.028 1.00 0.00 N ATOM 568 CA GLY A 35 5.159 5.253 0.834 1.00 0.00 C ATOM 569 C GLY A 35 5.982 3.994 1.024 1.00 0.00 C ATOM 570 O GLY A 35 6.820 3.659 0.186 1.00 0.00 O ATOM 0 H GLY A 35 4.266 6.006 2.574 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.141 4.980 0.555 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.572 5.832 0.008 1.00 0.00 H new ATOM 574 N THR A 36 5.744 3.294 2.129 1.00 0.00 N ATOM 575 CA THR A 36 6.472 2.067 2.427 1.00 0.00 C ATOM 576 C THR A 36 5.548 1.010 3.021 1.00 0.00 C ATOM 577 O THR A 36 4.791 1.286 3.953 1.00 0.00 O ATOM 578 CB THR A 36 7.633 2.326 3.406 1.00 0.00 C ATOM 579 OG1 THR A 36 7.197 3.183 4.466 1.00 0.00 O ATOM 580 CG2 THR A 36 8.815 2.959 2.688 1.00 0.00 C ATOM 0 H THR A 36 5.053 3.556 2.832 1.00 0.00 H new ATOM 0 HA THR A 36 6.877 1.703 1.483 1.00 0.00 H new ATOM 0 HB THR A 36 7.951 1.369 3.820 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.940 3.342 5.085 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.622 3.133 3.399 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.163 2.291 1.900 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.508 3.908 2.249 1.00 0.00 H new ATOM 588 N LEU A 37 5.614 -0.200 2.477 1.00 0.00 N ATOM 589 CA LEU A 37 4.782 -1.300 2.954 1.00 0.00 C ATOM 590 C LEU A 37 5.568 -2.207 3.897 1.00 0.00 C ATOM 591 O LEU A 37 6.440 -2.959 3.466 1.00 0.00 O ATOM 592 CB LEU A 37 4.249 -2.112 1.773 1.00 0.00 C ATOM 593 CG LEU A 37 2.938 -2.861 2.011 1.00 0.00 C ATOM 594 CD1 LEU A 37 1.786 -1.882 2.176 1.00 0.00 C ATOM 595 CD2 LEU A 37 2.660 -3.827 0.868 1.00 0.00 C ATOM 0 H LEU A 37 6.235 -0.445 1.705 1.00 0.00 H new ATOM 0 HA LEU A 37 3.941 -0.876 3.503 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.111 -1.438 0.927 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.010 -2.836 1.483 1.00 0.00 H new ATOM 0 HG LEU A 37 3.033 -3.437 2.932 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.861 -2.434 2.345 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.981 -1.231 3.028 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.689 -1.279 1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.723 -4.351 1.055 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.585 -3.272 -0.067 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.472 -4.550 0.797 1.00 0.00 H new ATOM 607 N GLY A 38 5.249 -2.130 5.185 1.00 0.00 N ATOM 608 CA GLY A 38 5.933 -2.951 6.168 1.00 0.00 C ATOM 609 C GLY A 38 4.984 -3.860 6.925 1.00 0.00 C ATOM 610 O GLY A 38 3.972 -3.406 7.458 1.00 0.00 O ATOM 0 H GLY A 38 4.530 -1.515 5.566 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.690 -3.556 5.668 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.456 -2.307 6.875 1.00 0.00 H new ATOM 614 N TYR A 39 5.311 -5.147 6.970 1.00 0.00 N ATOM 615 CA TYR A 39 4.479 -6.123 7.663 1.00 0.00 C ATOM 616 C TYR A 39 5.216 -6.716 8.859 1.00 0.00 C ATOM 617 O TYR A 39 6.422 -6.960 8.801 1.00 0.00 O ATOM 618 CB TYR A 39 4.058 -7.238 6.704 1.00 0.00 C ATOM 619 CG TYR A 39 5.219 -7.890 5.988 1.00 0.00 C ATOM 620 CD1 TYR A 39 6.095 -8.730 6.664 1.00 0.00 C ATOM 621 CD2 TYR A 39 5.439 -7.667 4.634 1.00 0.00 C ATOM 622 CE1 TYR A 39 7.157 -9.328 6.013 1.00 0.00 C ATOM 623 CE2 TYR A 39 6.497 -8.261 3.975 1.00 0.00 C ATOM 624 CZ TYR A 39 7.354 -9.090 4.669 1.00 0.00 C ATOM 625 OH TYR A 39 8.410 -9.684 4.017 1.00 0.00 O ATOM 0 H TYR A 39 6.146 -5.538 6.535 1.00 0.00 H new ATOM 0 HA TYR A 39 3.588 -5.610 8.027 1.00 0.00 H new ATOM 0 HB2 TYR A 39 3.512 -7.999 7.262 1.00 0.00 H new ATOM 0 HB3 TYR A 39 3.369 -6.829 5.965 1.00 0.00 H new ATOM 0 HD1 TYR A 39 5.943 -8.919 7.716 1.00 0.00 H new ATOM 0 HD2 TYR A 39 4.771 -7.018 4.088 1.00 0.00 H new ATOM 0 HE1 TYR A 39 7.829 -9.978 6.554 1.00 0.00 H new ATOM 0 HE2 TYR A 39 6.653 -8.078 2.922 1.00 0.00 H new ATOM 0 HH TYR A 39 8.407 -9.414 3.075 1.00 0.00 H new ATOM 635 N TYR A 40 4.483 -6.947 9.943 1.00 0.00 N ATOM 636 CA TYR A 40 5.067 -7.511 11.154 1.00 0.00 C ATOM 637 C TYR A 40 4.326 -8.775 11.578 1.00 0.00 C ATOM 638 O TYR A 40 3.156 -8.965 11.243 1.00 0.00 O ATOM 639 CB TYR A 40 5.035 -6.483 12.287 1.00 0.00 C ATOM 640 CG TYR A 40 5.622 -5.143 11.905 1.00 0.00 C ATOM 641 CD1 TYR A 40 5.000 -4.332 10.965 1.00 0.00 C ATOM 642 CD2 TYR A 40 6.801 -4.689 12.484 1.00 0.00 C ATOM 643 CE1 TYR A 40 5.534 -3.107 10.612 1.00 0.00 C ATOM 644 CE2 TYR A 40 7.341 -3.465 12.140 1.00 0.00 C ATOM 645 CZ TYR A 40 6.704 -2.678 11.203 1.00 0.00 C ATOM 646 OH TYR A 40 7.239 -1.459 10.856 1.00 0.00 O ATOM 0 H TYR A 40 3.484 -6.752 10.008 1.00 0.00 H new ATOM 0 HA TYR A 40 6.103 -7.774 10.940 1.00 0.00 H new ATOM 0 HB2 TYR A 40 4.003 -6.340 12.608 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.582 -6.880 13.142 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.083 -4.664 10.502 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.304 -5.304 13.216 1.00 0.00 H new ATOM 0 HE1 TYR A 40 5.038 -2.489 9.878 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.257 -3.126 12.602 1.00 0.00 H new ATOM 0 HH TYR A 40 8.063 -1.307 11.364 1.00 0.00 H new ATOM 656 N HIS A 41 5.015 -9.637 12.319 1.00 0.00 N ATOM 657 CA HIS A 41 4.424 -10.883 12.792 1.00 0.00 C ATOM 658 C HIS A 41 3.024 -10.643 13.349 1.00 0.00 C ATOM 659 O HIS A 41 2.046 -11.212 12.863 1.00 0.00 O ATOM 660 CB HIS A 41 5.310 -11.519 13.863 1.00 0.00 C ATOM 661 CG HIS A 41 6.574 -12.111 13.321 1.00 0.00 C ATOM 662 ND1 HIS A 41 7.864 -11.938 13.695 1.00 0.00 N flip ATOM 663 CD2 HIS A 41 6.599 -12.996 12.264 1.00 0.00 C flip ATOM 664 CE1 HIS A 41 8.635 -12.715 12.866 1.00 0.00 C flip ATOM 665 NE2 HIS A 41 7.848 -13.343 12.012 1.00 0.00 N flip ATOM 0 H HIS A 41 5.984 -9.495 12.605 1.00 0.00 H new ATOM 0 HA HIS A 41 4.347 -11.564 11.945 1.00 0.00 H new ATOM 0 HB2 HIS A 41 5.562 -10.765 14.609 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.745 -12.297 14.375 1.00 0.00 H new ATOM 0 HD2 HIS A 41 5.732 -13.350 11.726 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.711 -12.799 12.906 1.00 0.00 H new ATOM 0 HE2 HIS A 41 8.153 -13.987 11.282 1.00 0.00 H new ATOM 674 N ASP A 42 2.936 -9.800 14.371 1.00 0.00 N ATOM 675 CA ASP A 42 1.656 -9.484 14.995 1.00 0.00 C ATOM 676 C ASP A 42 1.131 -8.138 14.506 1.00 0.00 C ATOM 677 O ASP A 42 1.736 -7.501 13.644 1.00 0.00 O ATOM 678 CB ASP A 42 1.796 -9.469 16.518 1.00 0.00 C ATOM 679 CG ASP A 42 3.130 -8.910 16.971 1.00 0.00 C ATOM 680 OD1 ASP A 42 3.631 -7.969 16.320 1.00 0.00 O ATOM 681 OD2 ASP A 42 3.675 -9.414 17.976 1.00 0.00 O ATOM 0 H ASP A 42 3.736 -9.322 14.786 1.00 0.00 H new ATOM 0 HA ASP A 42 0.941 -10.257 14.712 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.991 -8.873 16.948 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.682 -10.483 16.901 1.00 0.00 H new ATOM 686 N GLU A 43 0.002 -7.711 15.063 1.00 0.00 N ATOM 687 CA GLU A 43 -0.605 -6.441 14.682 1.00 0.00 C ATOM 688 C GLU A 43 0.021 -5.285 15.457 1.00 0.00 C ATOM 689 O GLU A 43 -0.523 -4.181 15.495 1.00 0.00 O ATOM 690 CB GLU A 43 -2.115 -6.477 14.930 1.00 0.00 C ATOM 691 CG GLU A 43 -2.489 -6.508 16.402 1.00 0.00 C ATOM 692 CD GLU A 43 -3.895 -7.028 16.636 1.00 0.00 C ATOM 693 OE1 GLU A 43 -4.843 -6.216 16.579 1.00 0.00 O ATOM 694 OE2 GLU A 43 -4.047 -8.244 16.874 1.00 0.00 O ATOM 0 H GLU A 43 -0.511 -8.226 15.779 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.422 -6.285 13.619 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.572 -5.603 14.466 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.535 -7.355 14.439 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.779 -7.136 16.940 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.404 -5.503 16.816 1.00 0.00 H new ATOM 701 N THR A 44 1.169 -5.547 16.075 1.00 0.00 N ATOM 702 CA THR A 44 1.869 -4.531 16.850 1.00 0.00 C ATOM 703 C THR A 44 3.298 -4.347 16.352 1.00 0.00 C ATOM 704 O THR A 44 4.064 -5.307 16.267 1.00 0.00 O ATOM 705 CB THR A 44 1.901 -4.890 18.348 1.00 0.00 C ATOM 706 OG1 THR A 44 2.453 -6.199 18.526 1.00 0.00 O ATOM 707 CG2 THR A 44 0.504 -4.836 18.947 1.00 0.00 C ATOM 0 H THR A 44 1.633 -6.455 16.053 1.00 0.00 H new ATOM 0 HA THR A 44 1.319 -3.599 16.719 1.00 0.00 H new ATOM 0 HB THR A 44 2.527 -4.160 18.861 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.061 -6.401 17.785 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.552 -5.093 20.005 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.099 -3.830 18.836 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.141 -5.546 18.430 1.00 0.00 H new ATOM 715 N ALA A 45 3.651 -3.108 16.025 1.00 0.00 N ATOM 716 CA ALA A 45 4.990 -2.799 15.539 1.00 0.00 C ATOM 717 C ALA A 45 6.037 -3.040 16.621 1.00 0.00 C ATOM 718 O ALA A 45 6.391 -2.129 17.367 1.00 0.00 O ATOM 719 CB ALA A 45 5.054 -1.359 15.051 1.00 0.00 C ATOM 0 H ALA A 45 3.028 -2.302 16.088 1.00 0.00 H new ATOM 0 HA ALA A 45 5.209 -3.465 14.704 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.059 -1.141 14.691 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.339 -1.218 14.240 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.809 -0.685 15.872 1.00 0.00 H new ATOM 725 N GLN A 46 6.527 -4.273 16.699 1.00 0.00 N ATOM 726 CA GLN A 46 7.532 -4.634 17.691 1.00 0.00 C ATOM 727 C GLN A 46 8.665 -5.431 17.054 1.00 0.00 C ATOM 728 O GLN A 46 9.841 -5.158 17.293 1.00 0.00 O ATOM 729 CB GLN A 46 6.896 -5.443 18.823 1.00 0.00 C ATOM 730 CG GLN A 46 5.737 -4.733 19.502 1.00 0.00 C ATOM 731 CD GLN A 46 6.130 -3.381 20.065 1.00 0.00 C ATOM 732 OE1 GLN A 46 7.278 -3.169 20.456 1.00 0.00 O ATOM 733 NE2 GLN A 46 5.177 -2.457 20.108 1.00 0.00 N ATOM 0 H GLN A 46 6.244 -5.038 16.087 1.00 0.00 H new ATOM 0 HA GLN A 46 7.947 -3.713 18.102 1.00 0.00 H new ATOM 0 HB2 GLN A 46 6.545 -6.395 18.425 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.658 -5.671 19.568 1.00 0.00 H new ATOM 0 HG2 GLN A 46 4.926 -4.602 18.785 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.353 -5.360 20.307 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.239 -2.676 19.773 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.383 -1.528 20.476 1.00 0.00 H new ATOM 742 N ASP A 47 8.303 -6.419 16.243 1.00 0.00 N ATOM 743 CA ASP A 47 9.289 -7.256 15.570 1.00 0.00 C ATOM 744 C ASP A 47 9.245 -7.041 14.060 1.00 0.00 C ATOM 745 O ASP A 47 8.565 -7.771 13.340 1.00 0.00 O ATOM 746 CB ASP A 47 9.044 -8.731 15.895 1.00 0.00 C ATOM 747 CG ASP A 47 9.648 -9.139 17.224 1.00 0.00 C ATOM 748 OD1 ASP A 47 10.824 -8.799 17.470 1.00 0.00 O ATOM 749 OD2 ASP A 47 8.945 -9.800 18.017 1.00 0.00 O ATOM 0 H ASP A 47 7.334 -6.660 16.036 1.00 0.00 H new ATOM 0 HA ASP A 47 10.278 -6.972 15.931 1.00 0.00 H new ATOM 0 HB2 ASP A 47 7.971 -8.923 15.913 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.465 -9.350 15.103 1.00 0.00 H new ATOM 754 N GLU A 48 9.974 -6.034 13.589 1.00 0.00 N ATOM 755 CA GLU A 48 10.016 -5.723 12.166 1.00 0.00 C ATOM 756 C GLU A 48 10.474 -6.933 11.357 1.00 0.00 C ATOM 757 O GLU A 48 11.552 -7.478 11.593 1.00 0.00 O ATOM 758 CB GLU A 48 10.951 -4.539 11.907 1.00 0.00 C ATOM 759 CG GLU A 48 10.700 -3.844 10.580 1.00 0.00 C ATOM 760 CD GLU A 48 11.625 -2.663 10.356 1.00 0.00 C ATOM 761 OE1 GLU A 48 11.499 -1.662 11.092 1.00 0.00 O ATOM 762 OE2 GLU A 48 12.475 -2.740 9.444 1.00 0.00 O ATOM 0 H GLU A 48 10.543 -5.420 14.172 1.00 0.00 H new ATOM 0 HA GLU A 48 9.008 -5.457 11.849 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.838 -3.815 12.714 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.983 -4.889 11.935 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.829 -4.561 9.769 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.665 -3.503 10.543 1.00 0.00 H new ATOM 769 N GLU A 49 9.647 -7.347 10.403 1.00 0.00 N ATOM 770 CA GLU A 49 9.966 -8.494 9.560 1.00 0.00 C ATOM 771 C GLU A 49 10.627 -8.046 8.260 1.00 0.00 C ATOM 772 O GLU A 49 11.698 -8.531 7.896 1.00 0.00 O ATOM 773 CB GLU A 49 8.701 -9.297 9.253 1.00 0.00 C ATOM 774 CG GLU A 49 8.958 -10.779 9.039 1.00 0.00 C ATOM 775 CD GLU A 49 7.689 -11.607 9.110 1.00 0.00 C ATOM 776 OE1 GLU A 49 6.591 -11.017 9.046 1.00 0.00 O ATOM 777 OE2 GLU A 49 7.796 -12.846 9.228 1.00 0.00 O ATOM 0 H GLU A 49 8.751 -6.906 10.194 1.00 0.00 H new ATOM 0 HA GLU A 49 10.666 -9.129 10.103 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.995 -9.174 10.074 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.228 -8.886 8.361 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.429 -10.926 8.067 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.662 -11.134 9.792 1.00 0.00 H new ATOM 784 N ASP A 50 9.979 -7.119 7.563 1.00 0.00 N ATOM 785 CA ASP A 50 10.503 -6.604 6.303 1.00 0.00 C ATOM 786 C ASP A 50 9.772 -5.330 5.890 1.00 0.00 C ATOM 787 O ASP A 50 8.770 -4.953 6.499 1.00 0.00 O ATOM 788 CB ASP A 50 10.374 -7.660 5.204 1.00 0.00 C ATOM 789 CG ASP A 50 11.593 -8.556 5.116 1.00 0.00 C ATOM 790 OD1 ASP A 50 12.678 -8.050 4.761 1.00 0.00 O ATOM 791 OD2 ASP A 50 11.463 -9.764 5.404 1.00 0.00 O ATOM 0 H ASP A 50 9.090 -6.709 7.849 1.00 0.00 H new ATOM 0 HA ASP A 50 11.557 -6.366 6.446 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.491 -8.270 5.393 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.220 -7.165 4.245 1.00 0.00 H new ATOM 796 N ARG A 51 10.280 -4.672 4.854 1.00 0.00 N ATOM 797 CA ARG A 51 9.677 -3.439 4.362 1.00 0.00 C ATOM 798 C ARG A 51 10.020 -3.215 2.892 1.00 0.00 C ATOM 799 O ARG A 51 11.187 -3.260 2.503 1.00 0.00 O ATOM 800 CB ARG A 51 10.150 -2.247 5.195 1.00 0.00 C ATOM 801 CG ARG A 51 9.279 -1.011 5.039 1.00 0.00 C ATOM 802 CD ARG A 51 9.650 0.064 6.049 1.00 0.00 C ATOM 803 NE ARG A 51 10.869 0.774 5.670 1.00 0.00 N ATOM 804 CZ ARG A 51 11.207 1.963 6.156 1.00 0.00 C ATOM 805 NH1 ARG A 51 10.424 2.571 7.036 1.00 0.00 N ATOM 806 NH2 ARG A 51 12.332 2.546 5.762 1.00 0.00 N ATOM 0 H ARG A 51 11.108 -4.972 4.339 1.00 0.00 H new ATOM 0 HA ARG A 51 8.595 -3.531 4.455 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.172 -2.535 6.246 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.173 -1.999 4.911 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.385 -0.615 4.029 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.231 -1.285 5.166 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.829 0.776 6.139 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.786 -0.392 7.030 1.00 0.00 H new ATOM 0 HE ARG A 51 11.494 0.333 4.996 1.00 0.00 H new ATOM 0 HH11 ARG A 51 9.559 2.126 7.342 1.00 0.00 H new ATOM 0 HH12 ARG A 51 10.687 3.484 7.407 1.00 0.00 H new ATOM 0 HH21 ARG A 51 12.938 2.081 5.086 1.00 0.00 H new ATOM 0 HH22 ARG A 51 12.591 3.459 6.135 1.00 0.00 H new ATOM 820 N VAL A 52 8.996 -2.974 2.080 1.00 0.00 N ATOM 821 CA VAL A 52 9.189 -2.742 0.654 1.00 0.00 C ATOM 822 C VAL A 52 8.660 -1.372 0.243 1.00 0.00 C ATOM 823 O VAL A 52 7.625 -0.921 0.735 1.00 0.00 O ATOM 824 CB VAL A 52 8.491 -3.824 -0.190 1.00 0.00 C ATOM 825 CG1 VAL A 52 9.270 -5.130 -0.135 1.00 0.00 C ATOM 826 CG2 VAL A 52 7.059 -4.027 0.283 1.00 0.00 C ATOM 0 H VAL A 52 8.024 -2.934 2.386 1.00 0.00 H new ATOM 0 HA VAL A 52 10.262 -2.784 0.469 1.00 0.00 H new ATOM 0 HB VAL A 52 8.463 -3.489 -1.227 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.761 -5.883 -0.737 1.00 0.00 H new ATOM 0 HG12 VAL A 52 10.275 -4.971 -0.526 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.332 -5.473 0.898 1.00 0.00 H new ATOM 0 HG21 VAL A 52 6.581 -4.795 -0.325 1.00 0.00 H new ATOM 0 HG22 VAL A 52 7.062 -4.340 1.327 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.508 -3.092 0.186 1.00 0.00 H new ATOM 836 N VAL A 53 9.376 -0.714 -0.663 1.00 0.00 N ATOM 837 CA VAL A 53 8.978 0.604 -1.142 1.00 0.00 C ATOM 838 C VAL A 53 7.676 0.531 -1.933 1.00 0.00 C ATOM 839 O VAL A 53 7.482 -0.374 -2.746 1.00 0.00 O ATOM 840 CB VAL A 53 10.070 1.232 -2.028 1.00 0.00 C ATOM 841 CG1 VAL A 53 9.623 2.592 -2.543 1.00 0.00 C ATOM 842 CG2 VAL A 53 11.377 1.348 -1.259 1.00 0.00 C ATOM 0 H VAL A 53 10.235 -1.072 -1.080 1.00 0.00 H new ATOM 0 HA VAL A 53 8.830 1.230 -0.262 1.00 0.00 H new ATOM 0 HB VAL A 53 10.236 0.581 -2.887 1.00 0.00 H new ATOM 0 HG11 VAL A 53 10.407 3.020 -3.167 1.00 0.00 H new ATOM 0 HG12 VAL A 53 8.713 2.477 -3.132 1.00 0.00 H new ATOM 0 HG13 VAL A 53 9.428 3.254 -1.700 1.00 0.00 H new ATOM 0 HG21 VAL A 53 12.138 1.794 -1.900 1.00 0.00 H new ATOM 0 HG22 VAL A 53 11.228 1.977 -0.381 1.00 0.00 H new ATOM 0 HG23 VAL A 53 11.703 0.357 -0.944 1.00 0.00 H new ATOM 852 N ILE A 54 6.788 1.489 -1.691 1.00 0.00 N ATOM 853 CA ILE A 54 5.506 1.534 -2.382 1.00 0.00 C ATOM 854 C ILE A 54 5.469 2.670 -3.399 1.00 0.00 C ATOM 855 O ILE A 54 4.983 2.501 -4.517 1.00 0.00 O ATOM 856 CB ILE A 54 4.339 1.708 -1.392 1.00 0.00 C ATOM 857 CG1 ILE A 54 4.164 0.444 -0.548 1.00 0.00 C ATOM 858 CG2 ILE A 54 3.055 2.034 -2.140 1.00 0.00 C ATOM 859 CD1 ILE A 54 3.854 -0.790 -1.366 1.00 0.00 C ATOM 0 H ILE A 54 6.933 2.245 -1.021 1.00 0.00 H new ATOM 0 HA ILE A 54 5.393 0.582 -2.900 1.00 0.00 H new ATOM 0 HB ILE A 54 4.569 2.538 -0.724 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.075 0.271 0.025 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.361 0.605 0.171 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.239 2.154 -1.427 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.186 2.959 -2.701 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.819 1.222 -2.828 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.743 -1.648 -0.703 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.927 -0.637 -1.919 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.668 -0.976 -2.067 1.00 0.00 H new ATOM 871 N HIS A 55 5.989 3.828 -3.003 1.00 0.00 N ATOM 872 CA HIS A 55 6.018 4.992 -3.881 1.00 0.00 C ATOM 873 C HIS A 55 6.634 4.639 -5.232 1.00 0.00 C ATOM 874 O HIS A 55 7.776 4.187 -5.306 1.00 0.00 O ATOM 875 CB HIS A 55 6.806 6.129 -3.230 1.00 0.00 C ATOM 876 CG HIS A 55 6.515 7.475 -3.819 1.00 0.00 C ATOM 877 ND1 HIS A 55 7.449 8.487 -3.884 1.00 0.00 N ATOM 878 CD2 HIS A 55 5.385 7.972 -4.375 1.00 0.00 C ATOM 879 CE1 HIS A 55 6.906 9.549 -4.451 1.00 0.00 C ATOM 880 NE2 HIS A 55 5.654 9.262 -4.759 1.00 0.00 N ATOM 0 H HIS A 55 6.395 3.985 -2.081 1.00 0.00 H new ATOM 0 HA HIS A 55 4.991 5.318 -4.044 1.00 0.00 H new ATOM 0 HB2 HIS A 55 6.581 6.152 -2.164 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.872 5.922 -3.326 1.00 0.00 H new ATOM 0 HD1 HIS A 55 8.410 8.425 -3.547 1.00 0.00 H new ATOM 0 HD2 HIS A 55 4.447 7.451 -4.494 1.00 0.00 H new ATOM 0 HE1 HIS A 55 7.401 10.492 -4.632 1.00 0.00 H new ATOM 889 N PHE A 56 5.868 4.848 -6.298 1.00 0.00 N ATOM 890 CA PHE A 56 6.338 4.549 -7.646 1.00 0.00 C ATOM 891 C PHE A 56 7.214 3.300 -7.653 1.00 0.00 C ATOM 892 O PHE A 56 8.302 3.295 -8.227 1.00 0.00 O ATOM 893 CB PHE A 56 7.120 5.737 -8.211 1.00 0.00 C ATOM 894 CG PHE A 56 6.245 6.873 -8.658 1.00 0.00 C ATOM 895 CD1 PHE A 56 5.636 6.848 -9.903 1.00 0.00 C ATOM 896 CD2 PHE A 56 6.030 7.966 -7.834 1.00 0.00 C ATOM 897 CE1 PHE A 56 4.831 7.892 -10.317 1.00 0.00 C ATOM 898 CE2 PHE A 56 5.226 9.013 -8.242 1.00 0.00 C ATOM 899 CZ PHE A 56 4.625 8.975 -9.485 1.00 0.00 C ATOM 0 H PHE A 56 4.920 5.223 -6.255 1.00 0.00 H new ATOM 0 HA PHE A 56 5.467 4.363 -8.274 1.00 0.00 H new ATOM 0 HB2 PHE A 56 7.813 6.100 -7.452 1.00 0.00 H new ATOM 0 HB3 PHE A 56 7.721 5.398 -9.055 1.00 0.00 H new ATOM 0 HD1 PHE A 56 5.792 6.003 -10.557 1.00 0.00 H new ATOM 0 HD2 PHE A 56 6.497 8.000 -6.861 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.363 7.861 -11.290 1.00 0.00 H new ATOM 0 HE2 PHE A 56 5.068 9.859 -7.590 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.995 9.791 -9.806 1.00 0.00 H new ATOM 909 N ASN A 57 6.730 2.242 -7.011 1.00 0.00 N ATOM 910 CA ASN A 57 7.468 0.986 -6.941 1.00 0.00 C ATOM 911 C ASN A 57 6.615 -0.175 -7.443 1.00 0.00 C ATOM 912 O ASN A 57 7.133 -1.155 -7.979 1.00 0.00 O ATOM 913 CB ASN A 57 7.922 0.716 -5.506 1.00 0.00 C ATOM 914 CG ASN A 57 9.212 -0.080 -5.447 1.00 0.00 C ATOM 915 OD1 ASN A 57 10.221 0.309 -6.036 1.00 0.00 O ATOM 916 ND2 ASN A 57 9.184 -1.200 -4.735 1.00 0.00 N ATOM 0 H ASN A 57 5.830 2.229 -6.532 1.00 0.00 H new ATOM 0 HA ASN A 57 8.345 1.073 -7.582 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.060 1.665 -4.987 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.139 0.173 -4.976 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.022 -1.777 -4.659 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.325 -1.483 -4.264 1.00 0.00 H new ATOM 923 N VAL A 58 5.302 -0.058 -7.267 1.00 0.00 N ATOM 924 CA VAL A 58 4.376 -1.096 -7.703 1.00 0.00 C ATOM 925 C VAL A 58 4.305 -1.165 -9.224 1.00 0.00 C ATOM 926 O VAL A 58 3.818 -0.240 -9.875 1.00 0.00 O ATOM 927 CB VAL A 58 2.961 -0.857 -7.143 1.00 0.00 C ATOM 928 CG1 VAL A 58 1.949 -1.740 -7.857 1.00 0.00 C ATOM 929 CG2 VAL A 58 2.933 -1.106 -5.642 1.00 0.00 C ATOM 0 H VAL A 58 4.856 0.746 -6.825 1.00 0.00 H new ATOM 0 HA VAL A 58 4.756 -2.042 -7.317 1.00 0.00 H new ATOM 0 HB VAL A 58 2.689 0.184 -7.321 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.955 -1.558 -7.448 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.952 -1.508 -8.922 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.214 -2.787 -7.713 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.926 -0.932 -5.263 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.225 -2.136 -5.439 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.628 -0.428 -5.148 1.00 0.00 H new ATOM 939 N ARG A 59 4.792 -2.266 -9.785 1.00 0.00 N ATOM 940 CA ARG A 59 4.784 -2.456 -11.230 1.00 0.00 C ATOM 941 C ARG A 59 3.410 -2.914 -11.711 1.00 0.00 C ATOM 942 O ARG A 59 2.938 -2.492 -12.767 1.00 0.00 O ATOM 943 CB ARG A 59 5.846 -3.478 -11.638 1.00 0.00 C ATOM 944 CG ARG A 59 6.058 -3.570 -13.140 1.00 0.00 C ATOM 945 CD ARG A 59 7.385 -4.233 -13.476 1.00 0.00 C ATOM 946 NE ARG A 59 7.446 -4.659 -14.872 1.00 0.00 N ATOM 947 CZ ARG A 59 7.542 -3.817 -15.894 1.00 0.00 C ATOM 948 NH1 ARG A 59 7.589 -2.509 -15.678 1.00 0.00 N ATOM 949 NH2 ARG A 59 7.593 -4.281 -17.136 1.00 0.00 N ATOM 0 H ARG A 59 5.198 -3.041 -9.260 1.00 0.00 H new ATOM 0 HA ARG A 59 5.013 -1.499 -11.698 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.791 -3.217 -11.162 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.558 -4.459 -11.260 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.243 -4.137 -13.590 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.029 -2.571 -13.575 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.199 -3.537 -13.273 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.534 -5.096 -12.827 1.00 0.00 H new ATOM 0 HE ARG A 59 7.413 -5.659 -15.073 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.551 -2.148 -14.725 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.663 -1.864 -16.465 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.558 -5.286 -17.307 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.667 -3.633 -17.920 1.00 0.00 H new ATOM 963 N ASP A 60 2.775 -3.780 -10.929 1.00 0.00 N ATOM 964 CA ASP A 60 1.455 -4.296 -11.274 1.00 0.00 C ATOM 965 C ASP A 60 0.805 -4.974 -10.072 1.00 0.00 C ATOM 966 O ASP A 60 1.467 -5.253 -9.072 1.00 0.00 O ATOM 967 CB ASP A 60 1.558 -5.284 -12.438 1.00 0.00 C ATOM 968 CG ASP A 60 1.466 -4.599 -13.787 1.00 0.00 C ATOM 969 OD1 ASP A 60 0.669 -3.647 -13.916 1.00 0.00 O ATOM 970 OD2 ASP A 60 2.190 -5.018 -14.715 1.00 0.00 O ATOM 0 H ASP A 60 3.153 -4.139 -10.052 1.00 0.00 H new ATOM 0 HA ASP A 60 0.831 -3.455 -11.575 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.503 -5.823 -12.371 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.762 -6.024 -12.354 1.00 0.00 H new ATOM 975 N ILE A 61 -0.494 -5.234 -10.176 1.00 0.00 N ATOM 976 CA ILE A 61 -1.233 -5.878 -9.098 1.00 0.00 C ATOM 977 C ILE A 61 -2.356 -6.751 -9.646 1.00 0.00 C ATOM 978 O ILE A 61 -3.258 -6.265 -10.330 1.00 0.00 O ATOM 979 CB ILE A 61 -1.829 -4.842 -8.127 1.00 0.00 C ATOM 980 CG1 ILE A 61 -0.713 -4.104 -7.385 1.00 0.00 C ATOM 981 CG2 ILE A 61 -2.770 -5.520 -7.141 1.00 0.00 C ATOM 982 CD1 ILE A 61 -1.216 -3.001 -6.480 1.00 0.00 C ATOM 0 H ILE A 61 -1.056 -5.008 -10.997 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.522 -6.503 -8.557 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.400 -4.113 -8.702 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.147 -4.821 -6.790 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.023 -3.679 -8.114 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.183 -4.775 -6.461 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.581 -6.004 -7.686 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.221 -6.268 -6.569 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.371 -2.521 -5.986 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.757 -2.263 -7.072 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.883 -3.423 -5.728 1.00 0.00 H new ATOM 994 N LYS A 62 -2.298 -8.042 -9.340 1.00 0.00 N ATOM 995 CA LYS A 62 -3.312 -8.985 -9.798 1.00 0.00 C ATOM 996 C LYS A 62 -4.272 -9.343 -8.669 1.00 0.00 C ATOM 997 O LYS A 62 -3.909 -9.297 -7.494 1.00 0.00 O ATOM 998 CB LYS A 62 -2.650 -10.253 -10.341 1.00 0.00 C ATOM 999 CG LYS A 62 -1.694 -9.996 -11.492 1.00 0.00 C ATOM 1000 CD LYS A 62 -2.404 -9.362 -12.677 1.00 0.00 C ATOM 1001 CE LYS A 62 -1.426 -8.996 -13.782 1.00 0.00 C ATOM 1002 NZ LYS A 62 -0.659 -7.761 -13.457 1.00 0.00 N ATOM 0 H LYS A 62 -1.558 -8.460 -8.776 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.881 -8.509 -10.597 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.108 -10.744 -9.533 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.425 -10.944 -10.671 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.888 -9.343 -11.158 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.235 -10.935 -11.802 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.152 -10.052 -13.066 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.935 -8.468 -12.349 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.733 -9.822 -13.942 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.970 -8.851 -14.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.312 -7.327 -14.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.278 -7.089 -12.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.148 -8.004 -12.848 1.00 0.00 H new ATOM 1016 N VAL A 63 -5.500 -9.700 -9.033 1.00 0.00 N ATOM 1017 CA VAL A 63 -6.512 -10.069 -8.050 1.00 0.00 C ATOM 1018 C VAL A 63 -7.481 -11.099 -8.619 1.00 0.00 C ATOM 1019 O VAL A 63 -7.938 -10.976 -9.755 1.00 0.00 O ATOM 1020 CB VAL A 63 -7.308 -8.838 -7.576 1.00 0.00 C ATOM 1021 CG1 VAL A 63 -8.251 -9.216 -6.444 1.00 0.00 C ATOM 1022 CG2 VAL A 63 -6.364 -7.726 -7.146 1.00 0.00 C ATOM 0 H VAL A 63 -5.818 -9.741 -10.001 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.985 -10.502 -7.200 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.907 -8.472 -8.409 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.805 -8.334 -6.122 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.950 -9.977 -6.791 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.675 -9.608 -5.606 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.944 -6.865 -6.814 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.736 -8.078 -6.327 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.734 -7.437 -7.988 1.00 0.00 H new ATOM 1032 N GLY A 64 -7.791 -12.116 -7.821 1.00 0.00 N ATOM 1033 CA GLY A 64 -8.704 -13.154 -8.262 1.00 0.00 C ATOM 1034 C GLY A 64 -8.106 -14.032 -9.343 1.00 0.00 C ATOM 1035 O GLY A 64 -6.907 -14.312 -9.331 1.00 0.00 O ATOM 0 H GLY A 64 -7.426 -12.240 -6.877 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.984 -13.773 -7.410 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.618 -12.694 -8.637 1.00 0.00 H new ATOM 1039 N GLN A 65 -8.942 -14.469 -10.279 1.00 0.00 N ATOM 1040 CA GLN A 65 -8.488 -15.323 -11.370 1.00 0.00 C ATOM 1041 C GLN A 65 -7.152 -14.838 -11.921 1.00 0.00 C ATOM 1042 O GLN A 65 -6.281 -15.640 -12.258 1.00 0.00 O ATOM 1043 CB GLN A 65 -9.532 -15.357 -12.487 1.00 0.00 C ATOM 1044 CG GLN A 65 -9.159 -16.273 -13.641 1.00 0.00 C ATOM 1045 CD GLN A 65 -9.436 -17.733 -13.341 1.00 0.00 C ATOM 1046 OE1 GLN A 65 -10.587 -18.171 -13.338 1.00 0.00 O ATOM 1047 NE2 GLN A 65 -8.380 -18.496 -13.085 1.00 0.00 N ATOM 0 H GLN A 65 -9.937 -14.246 -10.304 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.354 -16.331 -10.977 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.486 -15.680 -12.071 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -9.677 -14.346 -12.869 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -9.716 -15.977 -14.530 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.101 -16.148 -13.872 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.444 -18.092 -13.098 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -8.505 -19.486 -12.875 1.00 0.00 H new ATOM 1056 N GLU A 66 -6.997 -13.520 -12.009 1.00 0.00 N ATOM 1057 CA GLU A 66 -5.766 -12.929 -12.521 1.00 0.00 C ATOM 1058 C GLU A 66 -4.555 -13.772 -12.131 1.00 0.00 C ATOM 1059 O GLU A 66 -3.606 -13.909 -12.904 1.00 0.00 O ATOM 1060 CB GLU A 66 -5.600 -11.503 -11.992 1.00 0.00 C ATOM 1061 CG GLU A 66 -6.638 -10.531 -12.526 1.00 0.00 C ATOM 1062 CD GLU A 66 -6.111 -9.113 -12.629 1.00 0.00 C ATOM 1063 OE1 GLU A 66 -5.117 -8.901 -13.354 1.00 0.00 O ATOM 1064 OE2 GLU A 66 -6.693 -8.215 -11.984 1.00 0.00 O ATOM 0 H GLU A 66 -7.708 -12.842 -11.733 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.832 -12.900 -13.609 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.656 -11.519 -10.904 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.606 -11.141 -12.255 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.970 -10.864 -13.510 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.511 -10.544 -11.874 1.00 0.00 H new ATOM 1071 N CYS A 67 -4.595 -14.334 -10.928 1.00 0.00 N ATOM 1072 CA CYS A 67 -3.500 -15.162 -10.434 1.00 0.00 C ATOM 1073 C CYS A 67 -2.965 -16.070 -11.537 1.00 0.00 C ATOM 1074 O CYS A 67 -3.656 -16.344 -12.517 1.00 0.00 O ATOM 1075 CB CYS A 67 -3.967 -16.003 -9.245 1.00 0.00 C ATOM 1076 SG CYS A 67 -5.056 -17.375 -9.694 1.00 0.00 S ATOM 0 H CYS A 67 -5.373 -14.232 -10.277 1.00 0.00 H new ATOM 0 HA CYS A 67 -2.695 -14.503 -10.110 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.093 -16.401 -8.729 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.487 -15.356 -8.538 1.00 0.00 H new ATOM 0 HG CYS A 67 -5.772 -17.041 -10.726 1.00 0.00 H new ATOM 1144 N PRO A 72 -4.705 -20.821 -3.716 1.00 0.00 N ATOM 1145 CA PRO A 72 -5.501 -20.287 -2.607 1.00 0.00 C ATOM 1146 C PRO A 72 -5.469 -21.193 -1.381 1.00 0.00 C ATOM 1147 O PRO A 72 -5.426 -22.419 -1.487 1.00 0.00 O ATOM 1148 CB PRO A 72 -6.916 -20.220 -3.186 1.00 0.00 C ATOM 1149 CG PRO A 72 -6.936 -21.252 -4.260 1.00 0.00 C ATOM 1150 CD PRO A 72 -5.547 -21.276 -4.836 1.00 0.00 C ATOM 0 HA PRO A 72 -5.122 -19.326 -2.259 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.666 -20.428 -2.423 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.134 -19.229 -3.585 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -7.209 -22.228 -3.859 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.672 -21.005 -5.025 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.267 -22.276 -5.169 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.458 -20.616 -5.699 1.00 0.00 H new ATOM 1158 N PRO A 73 -5.490 -20.579 -0.189 1.00 0.00 N ATOM 1159 CA PRO A 73 -5.465 -21.312 1.080 1.00 0.00 C ATOM 1160 C PRO A 73 -6.763 -22.070 1.337 1.00 0.00 C ATOM 1161 O PRO A 73 -7.823 -21.688 0.842 1.00 0.00 O ATOM 1162 CB PRO A 73 -5.274 -20.208 2.123 1.00 0.00 C ATOM 1163 CG PRO A 73 -5.824 -18.981 1.482 1.00 0.00 C ATOM 1164 CD PRO A 73 -5.541 -19.121 0.011 1.00 0.00 C ATOM 0 HA PRO A 73 -4.684 -22.073 1.097 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.801 -20.442 3.048 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.222 -20.083 2.379 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.894 -18.890 1.667 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -5.354 -18.085 1.887 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.321 -18.659 -0.594 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.600 -18.644 -0.264 1.00 0.00 H new ATOM 1172 N GLU A 74 -6.672 -23.144 2.115 1.00 0.00 N ATOM 1173 CA GLU A 74 -7.841 -23.954 2.437 1.00 0.00 C ATOM 1174 C GLU A 74 -8.880 -23.134 3.196 1.00 0.00 C ATOM 1175 O GLU A 74 -8.570 -22.499 4.203 1.00 0.00 O ATOM 1176 CB GLU A 74 -7.431 -25.172 3.267 1.00 0.00 C ATOM 1177 CG GLU A 74 -8.531 -26.211 3.409 1.00 0.00 C ATOM 1178 CD GLU A 74 -8.311 -27.137 4.589 1.00 0.00 C ATOM 1179 OE1 GLU A 74 -7.326 -27.904 4.566 1.00 0.00 O ATOM 1180 OE2 GLU A 74 -9.125 -27.095 5.535 1.00 0.00 O ATOM 0 H GLU A 74 -5.802 -23.473 2.534 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.285 -24.293 1.501 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -6.560 -25.638 2.807 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.127 -24.839 4.259 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.490 -25.706 3.523 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.588 -26.801 2.495 1.00 0.00 H new ATOM 1187 N GLY A 75 -10.115 -23.152 2.704 1.00 0.00 N ATOM 1188 CA GLY A 75 -11.181 -22.406 3.346 1.00 0.00 C ATOM 1189 C GLY A 75 -11.529 -21.133 2.601 1.00 0.00 C ATOM 1190 O GLY A 75 -12.701 -20.855 2.347 1.00 0.00 O ATOM 0 H GLY A 75 -10.396 -23.670 1.872 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -12.068 -23.035 3.418 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.883 -22.157 4.365 1.00 0.00 H new ATOM 1194 N ARG A 76 -10.509 -20.357 2.250 1.00 0.00 N ATOM 1195 CA ARG A 76 -10.713 -19.104 1.532 1.00 0.00 C ATOM 1196 C ARG A 76 -11.201 -19.367 0.110 1.00 0.00 C ATOM 1197 O ARG A 76 -11.497 -20.504 -0.255 1.00 0.00 O ATOM 1198 CB ARG A 76 -9.416 -18.295 1.496 1.00 0.00 C ATOM 1199 CG ARG A 76 -8.782 -18.098 2.864 1.00 0.00 C ATOM 1200 CD ARG A 76 -9.834 -17.851 3.934 1.00 0.00 C ATOM 1201 NE ARG A 76 -9.331 -17.001 5.010 1.00 0.00 N ATOM 1202 CZ ARG A 76 -10.069 -16.606 6.041 1.00 0.00 C ATOM 1203 NH1 ARG A 76 -11.337 -16.982 6.135 1.00 0.00 N ATOM 1204 NH2 ARG A 76 -9.540 -15.833 6.980 1.00 0.00 N ATOM 0 H ARG A 76 -9.533 -20.574 2.451 1.00 0.00 H new ATOM 0 HA ARG A 76 -11.475 -18.531 2.060 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.702 -18.798 0.843 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -9.619 -17.319 1.055 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -8.196 -18.979 3.125 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -8.092 -17.255 2.829 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -10.709 -17.384 3.481 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -10.161 -18.805 4.348 1.00 0.00 H new ATOM 0 HE ARG A 76 -8.359 -16.694 4.967 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -11.748 -17.576 5.415 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -11.902 -16.677 6.928 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -8.565 -15.541 6.911 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.108 -15.530 7.771 1.00 0.00 H new ATOM 1218 N SER A 77 -11.284 -18.306 -0.687 1.00 0.00 N ATOM 1219 CA SER A 77 -11.740 -18.421 -2.067 1.00 0.00 C ATOM 1220 C SER A 77 -10.649 -17.980 -3.038 1.00 0.00 C ATOM 1221 O SER A 77 -9.592 -17.503 -2.626 1.00 0.00 O ATOM 1222 CB SER A 77 -13.000 -17.579 -2.281 1.00 0.00 C ATOM 1223 OG SER A 77 -13.094 -17.134 -3.623 1.00 0.00 O ATOM 0 H SER A 77 -11.041 -17.358 -0.401 1.00 0.00 H new ATOM 0 HA SER A 77 -11.973 -19.468 -2.261 1.00 0.00 H new ATOM 0 HB2 SER A 77 -13.882 -18.167 -2.027 1.00 0.00 H new ATOM 0 HB3 SER A 77 -12.986 -16.720 -1.610 1.00 0.00 H new ATOM 0 HG SER A 77 -13.978 -16.739 -3.776 1.00 0.00 H new ATOM 1229 N ARG A 78 -10.915 -18.144 -4.330 1.00 0.00 N ATOM 1230 CA ARG A 78 -9.956 -17.765 -5.361 1.00 0.00 C ATOM 1231 C ARG A 78 -10.090 -16.286 -5.710 1.00 0.00 C ATOM 1232 O ARG A 78 -9.258 -15.729 -6.426 1.00 0.00 O ATOM 1233 CB ARG A 78 -10.161 -18.616 -6.615 1.00 0.00 C ATOM 1234 CG ARG A 78 -9.450 -19.958 -6.563 1.00 0.00 C ATOM 1235 CD ARG A 78 -9.746 -20.794 -7.799 1.00 0.00 C ATOM 1236 NE ARG A 78 -10.945 -21.611 -7.633 1.00 0.00 N ATOM 1237 CZ ARG A 78 -11.282 -22.597 -8.457 1.00 0.00 C ATOM 1238 NH1 ARG A 78 -10.515 -22.887 -9.499 1.00 0.00 N ATOM 1239 NH2 ARG A 78 -12.389 -23.295 -8.240 1.00 0.00 N ATOM 0 H ARG A 78 -11.786 -18.536 -4.687 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.953 -17.940 -4.971 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.228 -18.785 -6.759 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.807 -18.060 -7.483 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.375 -19.798 -6.479 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.762 -20.502 -5.671 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.871 -20.137 -8.660 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.894 -21.440 -8.012 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.557 -21.414 -6.841 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.663 -22.352 -9.670 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.777 -23.645 -10.130 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.982 -23.075 -7.440 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.647 -24.052 -8.873 1.00 0.00 H new ATOM 1253 N ASP A 79 -11.142 -15.655 -5.199 1.00 0.00 N ATOM 1254 CA ASP A 79 -11.385 -14.241 -5.456 1.00 0.00 C ATOM 1255 C ASP A 79 -10.579 -13.368 -4.499 1.00 0.00 C ATOM 1256 O ASP A 79 -10.439 -12.164 -4.708 1.00 0.00 O ATOM 1257 CB ASP A 79 -12.875 -13.924 -5.322 1.00 0.00 C ATOM 1258 CG ASP A 79 -13.743 -14.879 -6.118 1.00 0.00 C ATOM 1259 OD1 ASP A 79 -13.287 -15.349 -7.181 1.00 0.00 O ATOM 1260 OD2 ASP A 79 -14.879 -15.155 -5.678 1.00 0.00 O ATOM 0 H ASP A 79 -11.840 -16.101 -4.604 1.00 0.00 H new ATOM 0 HA ASP A 79 -11.066 -14.023 -6.475 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.160 -13.969 -4.271 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -13.058 -12.904 -5.659 1.00 0.00 H new ATOM 1265 N GLY A 80 -10.051 -13.985 -3.446 1.00 0.00 N ATOM 1266 CA GLY A 80 -9.267 -13.250 -2.471 1.00 0.00 C ATOM 1267 C GLY A 80 -7.804 -13.158 -2.854 1.00 0.00 C ATOM 1268 O GLY A 80 -7.054 -12.363 -2.286 1.00 0.00 O ATOM 0 H GLY A 80 -10.152 -14.981 -3.251 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.675 -12.245 -2.364 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.355 -13.735 -1.499 1.00 0.00 H new ATOM 1272 N LEU A 81 -7.394 -13.974 -3.820 1.00 0.00 N ATOM 1273 CA LEU A 81 -6.009 -13.983 -4.278 1.00 0.00 C ATOM 1274 C LEU A 81 -5.575 -12.591 -4.727 1.00 0.00 C ATOM 1275 O LEU A 81 -6.213 -11.976 -5.583 1.00 0.00 O ATOM 1276 CB LEU A 81 -5.838 -14.978 -5.426 1.00 0.00 C ATOM 1277 CG LEU A 81 -5.456 -16.404 -5.028 1.00 0.00 C ATOM 1278 CD1 LEU A 81 -6.293 -16.871 -3.847 1.00 0.00 C ATOM 1279 CD2 LEU A 81 -5.620 -17.350 -6.208 1.00 0.00 C ATOM 0 H LEU A 81 -8.001 -14.638 -4.301 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.378 -14.289 -3.444 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.771 -15.017 -5.988 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.074 -14.594 -6.102 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.408 -16.408 -4.728 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.007 -17.888 -3.578 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.124 -16.210 -2.997 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.348 -16.851 -4.118 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.344 -18.360 -5.906 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.658 -17.342 -6.539 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.976 -17.027 -7.026 1.00 0.00 H new ATOM 1291 N LEU A 82 -4.487 -12.100 -4.145 1.00 0.00 N ATOM 1292 CA LEU A 82 -3.965 -10.781 -4.487 1.00 0.00 C ATOM 1293 C LEU A 82 -2.444 -10.810 -4.601 1.00 0.00 C ATOM 1294 O LEU A 82 -1.746 -11.172 -3.653 1.00 0.00 O ATOM 1295 CB LEU A 82 -4.390 -9.755 -3.435 1.00 0.00 C ATOM 1296 CG LEU A 82 -3.623 -8.432 -3.440 1.00 0.00 C ATOM 1297 CD1 LEU A 82 -4.300 -7.427 -4.359 1.00 0.00 C ATOM 1298 CD2 LEU A 82 -3.510 -7.875 -2.028 1.00 0.00 C ATOM 0 H LEU A 82 -3.949 -12.595 -3.434 1.00 0.00 H new ATOM 0 HA LEU A 82 -4.377 -10.493 -5.454 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.449 -9.539 -3.575 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.285 -10.209 -2.450 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.617 -8.618 -3.817 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.741 -6.492 -4.350 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.328 -7.823 -5.374 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.317 -7.245 -4.012 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.961 -6.933 -2.051 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.508 -7.704 -1.624 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.980 -8.588 -1.397 1.00 0.00 H new ATOM 1310 N THR A 83 -1.936 -10.424 -5.767 1.00 0.00 N ATOM 1311 CA THR A 83 -0.498 -10.405 -6.006 1.00 0.00 C ATOM 1312 C THR A 83 -0.020 -9.003 -6.367 1.00 0.00 C ATOM 1313 O THR A 83 -0.635 -8.318 -7.185 1.00 0.00 O ATOM 1314 CB THR A 83 -0.102 -11.377 -7.133 1.00 0.00 C ATOM 1315 OG1 THR A 83 -0.906 -12.560 -7.064 1.00 0.00 O ATOM 1316 CG2 THR A 83 1.369 -11.750 -7.034 1.00 0.00 C ATOM 0 H THR A 83 -2.499 -10.120 -6.561 1.00 0.00 H new ATOM 0 HA THR A 83 -0.019 -10.722 -5.079 1.00 0.00 H new ATOM 0 HB THR A 83 -0.270 -10.879 -8.088 1.00 0.00 H new ATOM 0 HG1 THR A 83 -0.649 -13.172 -7.785 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.625 -12.437 -7.840 1.00 0.00 H new ATOM 0 HG22 THR A 83 1.979 -10.850 -7.116 1.00 0.00 H new ATOM 0 HG23 THR A 83 1.559 -12.230 -6.074 1.00 0.00 H new ATOM 1324 N VAL A 84 1.081 -8.582 -5.754 1.00 0.00 N ATOM 1325 CA VAL A 84 1.643 -7.262 -6.013 1.00 0.00 C ATOM 1326 C VAL A 84 3.050 -7.367 -6.590 1.00 0.00 C ATOM 1327 O VAL A 84 3.853 -8.187 -6.147 1.00 0.00 O ATOM 1328 CB VAL A 84 1.688 -6.409 -4.731 1.00 0.00 C ATOM 1329 CG1 VAL A 84 2.211 -5.014 -5.035 1.00 0.00 C ATOM 1330 CG2 VAL A 84 0.312 -6.344 -4.086 1.00 0.00 C ATOM 0 H VAL A 84 1.602 -9.136 -5.074 1.00 0.00 H new ATOM 0 HA VAL A 84 0.991 -6.778 -6.740 1.00 0.00 H new ATOM 0 HB VAL A 84 2.372 -6.881 -4.026 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.235 -4.427 -4.117 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.217 -5.085 -5.448 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.556 -4.529 -5.759 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.362 -5.738 -3.182 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.396 -5.897 -4.784 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.018 -7.351 -3.830 1.00 0.00 H new ATOM 1340 N ASN A 85 3.342 -6.531 -7.580 1.00 0.00 N ATOM 1341 CA ASN A 85 4.653 -6.530 -8.219 1.00 0.00 C ATOM 1342 C ASN A 85 5.452 -5.293 -7.818 1.00 0.00 C ATOM 1343 O ASN A 85 4.931 -4.177 -7.817 1.00 0.00 O ATOM 1344 CB ASN A 85 4.503 -6.583 -9.741 1.00 0.00 C ATOM 1345 CG ASN A 85 4.366 -8.001 -10.259 1.00 0.00 C ATOM 1346 OD1 ASN A 85 5.227 -8.494 -10.987 1.00 0.00 O ATOM 1347 ND2 ASN A 85 3.278 -8.665 -9.885 1.00 0.00 N ATOM 0 H ASN A 85 2.688 -5.845 -7.958 1.00 0.00 H new ATOM 0 HA ASN A 85 5.194 -7.415 -7.884 1.00 0.00 H new ATOM 0 HB2 ASN A 85 3.628 -6.005 -10.037 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.369 -6.111 -10.205 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.131 -9.623 -10.203 1.00 0.00 H new ATOM 0 HD22 ASN A 85 2.590 -8.217 -9.280 1.00 0.00 H new ATOM 1354 N LEU A 86 6.720 -5.499 -7.480 1.00 0.00 N ATOM 1355 CA LEU A 86 7.593 -4.401 -7.079 1.00 0.00 C ATOM 1356 C LEU A 86 8.681 -4.161 -8.120 1.00 0.00 C ATOM 1357 O LEU A 86 9.101 -5.085 -8.818 1.00 0.00 O ATOM 1358 CB LEU A 86 8.228 -4.700 -5.720 1.00 0.00 C ATOM 1359 CG LEU A 86 7.259 -5.006 -4.578 1.00 0.00 C ATOM 1360 CD1 LEU A 86 8.013 -5.511 -3.358 1.00 0.00 C ATOM 1361 CD2 LEU A 86 6.439 -3.773 -4.228 1.00 0.00 C ATOM 0 H LEU A 86 7.167 -6.416 -7.476 1.00 0.00 H new ATOM 0 HA LEU A 86 6.987 -3.498 -7.000 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.902 -5.549 -5.835 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.839 -3.845 -5.431 1.00 0.00 H new ATOM 0 HG LEU A 86 6.577 -5.789 -4.908 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.306 -5.723 -2.556 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.554 -6.422 -3.616 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.720 -4.751 -3.027 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.755 -4.010 -3.413 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.106 -2.968 -3.919 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.868 -3.456 -5.101 1.00 0.00 H new ATOM 1373 N ARG A 87 9.135 -2.916 -8.218 1.00 0.00 N ATOM 1374 CA ARG A 87 10.175 -2.555 -9.173 1.00 0.00 C ATOM 1375 C ARG A 87 11.497 -3.231 -8.819 1.00 0.00 C ATOM 1376 O ARG A 87 12.284 -3.574 -9.700 1.00 0.00 O ATOM 1377 CB ARG A 87 10.360 -1.037 -9.209 1.00 0.00 C ATOM 1378 CG ARG A 87 9.474 -0.339 -10.229 1.00 0.00 C ATOM 1379 CD ARG A 87 10.110 0.948 -10.731 1.00 0.00 C ATOM 1380 NE ARG A 87 11.068 0.702 -11.806 1.00 0.00 N ATOM 1381 CZ ARG A 87 12.019 1.561 -12.153 1.00 0.00 C ATOM 1382 NH1 ARG A 87 12.139 2.717 -11.514 1.00 0.00 N ATOM 1383 NH2 ARG A 87 12.853 1.266 -13.142 1.00 0.00 N ATOM 0 H ARG A 87 8.799 -2.140 -7.647 1.00 0.00 H new ATOM 0 HA ARG A 87 9.863 -2.900 -10.159 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.150 -0.630 -8.220 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.403 -0.812 -9.432 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.290 -1.007 -11.070 1.00 0.00 H new ATOM 0 HG3 ARG A 87 8.506 -0.117 -9.780 1.00 0.00 H new ATOM 0 HD2 ARG A 87 9.331 1.622 -11.087 1.00 0.00 H new ATOM 0 HD3 ARG A 87 10.613 1.450 -9.905 1.00 0.00 H new ATOM 0 HE ARG A 87 11.003 -0.178 -12.318 1.00 0.00 H new ATOM 0 HH11 ARG A 87 11.500 2.948 -10.754 1.00 0.00 H new ATOM 0 HH12 ARG A 87 12.871 3.375 -11.783 1.00 0.00 H new ATOM 0 HH21 ARG A 87 12.764 0.378 -13.637 1.00 0.00 H new ATOM 0 HH22 ARG A 87 13.583 1.927 -13.408 1.00 0.00 H new ATOM 1397 N GLU A 88 11.732 -3.417 -7.524 1.00 0.00 N ATOM 1398 CA GLU A 88 12.959 -4.050 -7.055 1.00 0.00 C ATOM 1399 C GLU A 88 13.113 -5.446 -7.650 1.00 0.00 C ATOM 1400 O GLU A 88 14.198 -6.026 -7.630 1.00 0.00 O ATOM 1401 CB GLU A 88 12.965 -4.131 -5.527 1.00 0.00 C ATOM 1402 CG GLU A 88 11.924 -5.086 -4.964 1.00 0.00 C ATOM 1403 CD GLU A 88 12.250 -5.538 -3.554 1.00 0.00 C ATOM 1404 OE1 GLU A 88 13.450 -5.606 -3.216 1.00 0.00 O ATOM 1405 OE2 GLU A 88 11.305 -5.824 -2.789 1.00 0.00 O ATOM 0 H GLU A 88 11.090 -3.139 -6.782 1.00 0.00 H new ATOM 0 HA GLU A 88 13.801 -3.440 -7.383 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.953 -4.446 -5.192 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.792 -3.136 -5.118 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.949 -4.599 -4.969 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.848 -5.958 -5.613 1.00 0.00 H new ATOM 1412 N GLY A 89 12.017 -5.982 -8.180 1.00 0.00 N ATOM 1413 CA GLY A 89 12.050 -7.306 -8.773 1.00 0.00 C ATOM 1414 C GLY A 89 11.647 -8.390 -7.794 1.00 0.00 C ATOM 1415 O GLY A 89 12.470 -9.217 -7.399 1.00 0.00 O ATOM 0 H GLY A 89 11.107 -5.522 -8.209 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.382 -7.332 -9.634 1.00 0.00 H new ATOM 0 HA3 GLY A 89 13.055 -7.510 -9.143 1.00 0.00 H new ATOM 1419 N SER A 90 10.378 -8.386 -7.398 1.00 0.00 N ATOM 1420 CA SER A 90 9.869 -9.374 -6.454 1.00 0.00 C ATOM 1421 C SER A 90 8.361 -9.225 -6.273 1.00 0.00 C ATOM 1422 O SER A 90 7.865 -8.137 -5.981 1.00 0.00 O ATOM 1423 CB SER A 90 10.573 -9.230 -5.104 1.00 0.00 C ATOM 1424 OG SER A 90 10.502 -10.435 -4.361 1.00 0.00 O ATOM 0 H SER A 90 9.684 -7.710 -7.716 1.00 0.00 H new ATOM 0 HA SER A 90 10.073 -10.366 -6.858 1.00 0.00 H new ATOM 0 HB2 SER A 90 11.616 -8.957 -5.262 1.00 0.00 H new ATOM 0 HB3 SER A 90 10.114 -8.421 -4.536 1.00 0.00 H new ATOM 0 HG SER A 90 10.961 -10.318 -3.503 1.00 0.00 H new ATOM 1430 N ARG A 91 7.639 -10.327 -6.448 1.00 0.00 N ATOM 1431 CA ARG A 91 6.188 -10.319 -6.305 1.00 0.00 C ATOM 1432 C ARG A 91 5.779 -10.712 -4.888 1.00 0.00 C ATOM 1433 O ARG A 91 6.503 -11.433 -4.199 1.00 0.00 O ATOM 1434 CB ARG A 91 5.550 -11.275 -7.315 1.00 0.00 C ATOM 1435 CG ARG A 91 6.116 -12.685 -7.261 1.00 0.00 C ATOM 1436 CD ARG A 91 5.313 -13.641 -8.128 1.00 0.00 C ATOM 1437 NE ARG A 91 6.125 -14.754 -8.613 1.00 0.00 N ATOM 1438 CZ ARG A 91 7.120 -14.614 -9.482 1.00 0.00 C ATOM 1439 NH1 ARG A 91 7.424 -13.415 -9.959 1.00 0.00 N ATOM 1440 NH2 ARG A 91 7.813 -15.674 -9.876 1.00 0.00 N ATOM 0 H ARG A 91 8.035 -11.236 -6.689 1.00 0.00 H new ATOM 0 HA ARG A 91 5.834 -9.306 -6.499 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.476 -11.317 -7.135 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.689 -10.875 -8.319 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.154 -12.675 -7.594 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.115 -13.039 -6.230 1.00 0.00 H new ATOM 0 HD2 ARG A 91 4.471 -14.029 -7.555 1.00 0.00 H new ATOM 0 HD3 ARG A 91 4.898 -13.098 -8.977 1.00 0.00 H new ATOM 0 HE ARG A 91 5.917 -15.690 -8.265 1.00 0.00 H new ATOM 0 HH11 ARG A 91 6.893 -12.597 -9.659 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.188 -13.310 -10.626 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.582 -16.598 -9.512 1.00 0.00 H new ATOM 0 HH22 ARG A 91 8.577 -15.565 -10.543 1.00 0.00 H new ATOM 1454 N LEU A 92 4.617 -10.233 -4.459 1.00 0.00 N ATOM 1455 CA LEU A 92 4.112 -10.534 -3.124 1.00 0.00 C ATOM 1456 C LEU A 92 2.890 -11.444 -3.196 1.00 0.00 C ATOM 1457 O LEU A 92 1.927 -11.153 -3.907 1.00 0.00 O ATOM 1458 CB LEU A 92 3.755 -9.240 -2.389 1.00 0.00 C ATOM 1459 CG LEU A 92 4.878 -8.601 -1.572 1.00 0.00 C ATOM 1460 CD1 LEU A 92 4.699 -7.092 -1.506 1.00 0.00 C ATOM 1461 CD2 LEU A 92 4.925 -9.196 -0.172 1.00 0.00 C ATOM 0 H LEU A 92 4.007 -9.635 -5.016 1.00 0.00 H new ATOM 0 HA LEU A 92 4.897 -11.053 -2.574 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.408 -8.513 -3.123 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.918 -9.444 -1.721 1.00 0.00 H new ATOM 0 HG LEU A 92 5.826 -8.812 -2.067 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.508 -6.655 -0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.717 -6.679 -2.515 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.744 -6.859 -1.036 1.00 0.00 H new ATOM 0 HD21 LEU A 92 5.730 -8.729 0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.975 -9.016 0.332 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.103 -10.269 -0.239 1.00 0.00 H new ATOM 1473 N HIS A 93 2.935 -12.546 -2.455 1.00 0.00 N ATOM 1474 CA HIS A 93 1.831 -13.499 -2.432 1.00 0.00 C ATOM 1475 C HIS A 93 0.929 -13.257 -1.225 1.00 0.00 C ATOM 1476 O HIS A 93 1.241 -13.678 -0.110 1.00 0.00 O ATOM 1477 CB HIS A 93 2.365 -14.931 -2.406 1.00 0.00 C ATOM 1478 CG HIS A 93 2.996 -15.359 -3.695 1.00 0.00 C ATOM 1479 ND1 HIS A 93 4.155 -14.798 -4.188 1.00 0.00 N ATOM 1480 CD2 HIS A 93 2.623 -16.300 -4.594 1.00 0.00 C ATOM 1481 CE1 HIS A 93 4.468 -15.375 -5.335 1.00 0.00 C ATOM 1482 NE2 HIS A 93 3.554 -16.290 -5.603 1.00 0.00 N ATOM 0 H HIS A 93 3.725 -12.802 -1.862 1.00 0.00 H new ATOM 0 HA HIS A 93 1.242 -13.356 -3.338 1.00 0.00 H new ATOM 0 HB2 HIS A 93 3.098 -15.022 -1.604 1.00 0.00 H new ATOM 0 HB3 HIS A 93 1.547 -15.611 -2.168 1.00 0.00 H new ATOM 0 HD2 HIS A 93 1.755 -16.939 -4.529 1.00 0.00 H new ATOM 0 HE1 HIS A 93 5.325 -15.139 -5.948 1.00 0.00 H new ATOM 0 HE2 HIS A 93 3.542 -16.892 -6.426 1.00 0.00 H new ATOM 1491 N LEU A 94 -0.188 -12.576 -1.454 1.00 0.00 N ATOM 1492 CA LEU A 94 -1.135 -12.277 -0.386 1.00 0.00 C ATOM 1493 C LEU A 94 -2.548 -12.698 -0.776 1.00 0.00 C ATOM 1494 O LEU A 94 -2.846 -12.888 -1.956 1.00 0.00 O ATOM 1495 CB LEU A 94 -1.108 -10.783 -0.057 1.00 0.00 C ATOM 1496 CG LEU A 94 0.269 -10.183 0.229 1.00 0.00 C ATOM 1497 CD1 LEU A 94 0.190 -8.665 0.279 1.00 0.00 C ATOM 1498 CD2 LEU A 94 0.829 -10.733 1.533 1.00 0.00 C ATOM 0 H LEU A 94 -0.460 -12.220 -2.370 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.839 -12.843 0.497 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.553 -10.240 -0.891 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.744 -10.611 0.811 1.00 0.00 H new ATOM 0 HG LEU A 94 0.943 -10.465 -0.580 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.179 -8.256 0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.168 -8.288 -0.679 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.498 -8.362 1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.809 -10.295 1.721 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.156 -10.482 2.353 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.923 -11.816 1.460 1.00 0.00 H new ATOM 1510 N CYS A 95 -3.414 -12.841 0.221 1.00 0.00 N ATOM 1511 CA CYS A 95 -4.797 -13.239 -0.018 1.00 0.00 C ATOM 1512 C CYS A 95 -5.739 -12.545 0.960 1.00 0.00 C ATOM 1513 O CYS A 95 -5.387 -12.311 2.116 1.00 0.00 O ATOM 1514 CB CYS A 95 -4.941 -14.756 0.104 1.00 0.00 C ATOM 1515 SG CYS A 95 -4.493 -15.664 -1.394 1.00 0.00 S ATOM 0 H CYS A 95 -3.183 -12.687 1.203 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.067 -12.937 -1.030 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -4.317 -15.104 0.927 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -5.973 -14.992 0.364 1.00 0.00 H new ATOM 0 HG CYS A 95 -3.248 -16.032 -1.322 1.00 0.00 H new ATOM 1521 N ALA A 96 -6.937 -12.217 0.488 1.00 0.00 N ATOM 1522 CA ALA A 96 -7.930 -11.551 1.321 1.00 0.00 C ATOM 1523 C ALA A 96 -9.130 -12.457 1.576 1.00 0.00 C ATOM 1524 O ALA A 96 -9.246 -13.529 0.985 1.00 0.00 O ATOM 1525 CB ALA A 96 -8.377 -10.250 0.671 1.00 0.00 C ATOM 0 H ALA A 96 -7.243 -12.402 -0.467 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.469 -11.324 2.282 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -9.119 -9.763 1.304 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.517 -9.591 0.547 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -8.815 -10.462 -0.304 1.00 0.00 H new ATOM 1531 N GLU A 97 -10.020 -12.017 2.460 1.00 0.00 N ATOM 1532 CA GLU A 97 -11.211 -12.791 2.794 1.00 0.00 C ATOM 1533 C GLU A 97 -12.211 -12.773 1.641 1.00 0.00 C ATOM 1534 O GLU A 97 -12.712 -13.817 1.222 1.00 0.00 O ATOM 1535 CB GLU A 97 -11.866 -12.238 4.061 1.00 0.00 C ATOM 1536 CG GLU A 97 -11.014 -12.403 5.308 1.00 0.00 C ATOM 1537 CD GLU A 97 -11.837 -12.394 6.582 1.00 0.00 C ATOM 1538 OE1 GLU A 97 -12.746 -13.240 6.709 1.00 0.00 O ATOM 1539 OE2 GLU A 97 -11.571 -11.539 7.453 1.00 0.00 O ATOM 0 H GLU A 97 -9.940 -11.130 2.957 1.00 0.00 H new ATOM 0 HA GLU A 97 -10.906 -13.822 2.972 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -12.082 -11.179 3.916 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -12.821 -12.740 4.215 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -10.460 -13.340 5.244 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -10.278 -11.600 5.350 1.00 0.00 H new ATOM 1546 N THR A 98 -12.499 -11.579 1.133 1.00 0.00 N ATOM 1547 CA THR A 98 -13.440 -11.424 0.032 1.00 0.00 C ATOM 1548 C THR A 98 -12.855 -10.552 -1.073 1.00 0.00 C ATOM 1549 O THR A 98 -11.827 -9.902 -0.885 1.00 0.00 O ATOM 1550 CB THR A 98 -14.767 -10.804 0.509 1.00 0.00 C ATOM 1551 OG1 THR A 98 -14.532 -9.500 1.051 1.00 0.00 O ATOM 1552 CG2 THR A 98 -15.428 -11.684 1.560 1.00 0.00 C ATOM 0 H THR A 98 -12.093 -10.705 1.467 1.00 0.00 H new ATOM 0 HA THR A 98 -13.634 -12.423 -0.360 1.00 0.00 H new ATOM 0 HB THR A 98 -15.435 -10.725 -0.349 1.00 0.00 H new ATOM 0 HG1 THR A 98 -15.381 -9.112 1.350 1.00 0.00 H new ATOM 0 HG21 THR A 98 -16.363 -11.226 1.882 1.00 0.00 H new ATOM 0 HG22 THR A 98 -15.632 -12.667 1.135 1.00 0.00 H new ATOM 0 HG23 THR A 98 -14.762 -11.790 2.417 1.00 0.00 H new ATOM 1560 N ARG A 99 -13.515 -10.543 -2.226 1.00 0.00 N ATOM 1561 CA ARG A 99 -13.059 -9.751 -3.362 1.00 0.00 C ATOM 1562 C ARG A 99 -12.924 -8.280 -2.980 1.00 0.00 C ATOM 1563 O ARG A 99 -11.949 -7.621 -3.342 1.00 0.00 O ATOM 1564 CB ARG A 99 -14.030 -9.896 -4.536 1.00 0.00 C ATOM 1565 CG ARG A 99 -15.438 -9.418 -4.224 1.00 0.00 C ATOM 1566 CD ARG A 99 -16.468 -10.102 -5.110 1.00 0.00 C ATOM 1567 NE ARG A 99 -17.732 -9.371 -5.145 1.00 0.00 N ATOM 1568 CZ ARG A 99 -18.726 -9.662 -5.977 1.00 0.00 C ATOM 1569 NH1 ARG A 99 -18.604 -10.664 -6.837 1.00 0.00 N ATOM 1570 NH2 ARG A 99 -19.846 -8.951 -5.948 1.00 0.00 N ATOM 0 H ARG A 99 -14.368 -11.075 -2.398 1.00 0.00 H new ATOM 0 HA ARG A 99 -12.079 -10.123 -3.661 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -13.645 -9.334 -5.387 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -14.069 -10.943 -4.837 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -15.667 -9.617 -3.177 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -15.496 -8.339 -4.363 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -16.073 -10.192 -6.122 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -16.645 -11.114 -4.746 1.00 0.00 H new ATOM 0 HE ARG A 99 -17.858 -8.595 -4.495 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -17.745 -11.214 -6.861 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -19.369 -10.885 -7.474 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -19.944 -8.181 -5.287 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -20.609 -9.175 -6.587 1.00 0.00 H new ATOM 1584 N ASP A 100 -13.908 -7.772 -2.246 1.00 0.00 N ATOM 1585 CA ASP A 100 -13.899 -6.379 -1.814 1.00 0.00 C ATOM 1586 C ASP A 100 -12.552 -6.009 -1.202 1.00 0.00 C ATOM 1587 O ASP A 100 -11.834 -5.156 -1.725 1.00 0.00 O ATOM 1588 CB ASP A 100 -15.019 -6.129 -0.803 1.00 0.00 C ATOM 1589 CG ASP A 100 -14.705 -4.982 0.137 1.00 0.00 C ATOM 1590 OD1 ASP A 100 -14.373 -3.884 -0.357 1.00 0.00 O ATOM 1591 OD2 ASP A 100 -14.791 -5.182 1.367 1.00 0.00 O ATOM 0 H ASP A 100 -14.722 -8.304 -1.938 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.064 -5.751 -2.690 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -15.945 -5.915 -1.337 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -15.189 -7.035 -0.222 1.00 0.00 H new ATOM 1596 N ASP A 101 -12.215 -6.654 -0.091 1.00 0.00 N ATOM 1597 CA ASP A 101 -10.954 -6.393 0.593 1.00 0.00 C ATOM 1598 C ASP A 101 -9.789 -6.403 -0.392 1.00 0.00 C ATOM 1599 O ASP A 101 -8.961 -5.493 -0.398 1.00 0.00 O ATOM 1600 CB ASP A 101 -10.719 -7.433 1.690 1.00 0.00 C ATOM 1601 CG ASP A 101 -11.300 -7.008 3.024 1.00 0.00 C ATOM 1602 OD1 ASP A 101 -12.506 -6.686 3.072 1.00 0.00 O ATOM 1603 OD2 ASP A 101 -10.549 -6.999 4.022 1.00 0.00 O ATOM 0 H ASP A 101 -12.798 -7.362 0.356 1.00 0.00 H new ATOM 0 HA ASP A 101 -11.014 -5.404 1.047 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -11.164 -8.381 1.389 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -9.648 -7.604 1.801 1.00 0.00 H new ATOM 1608 N ALA A 102 -9.733 -7.438 -1.223 1.00 0.00 N ATOM 1609 CA ALA A 102 -8.671 -7.566 -2.213 1.00 0.00 C ATOM 1610 C ALA A 102 -8.579 -6.317 -3.084 1.00 0.00 C ATOM 1611 O ALA A 102 -7.500 -5.751 -3.262 1.00 0.00 O ATOM 1612 CB ALA A 102 -8.899 -8.798 -3.076 1.00 0.00 C ATOM 0 H ALA A 102 -10.411 -8.200 -1.230 1.00 0.00 H new ATOM 0 HA ALA A 102 -7.725 -7.678 -1.683 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.098 -8.881 -3.811 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -8.907 -9.687 -2.446 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.856 -8.710 -3.591 1.00 0.00 H new ATOM 1618 N ILE A 103 -9.716 -5.894 -3.625 1.00 0.00 N ATOM 1619 CA ILE A 103 -9.763 -4.712 -4.477 1.00 0.00 C ATOM 1620 C ILE A 103 -9.346 -3.463 -3.708 1.00 0.00 C ATOM 1621 O ILE A 103 -8.535 -2.670 -4.186 1.00 0.00 O ATOM 1622 CB ILE A 103 -11.172 -4.495 -5.061 1.00 0.00 C ATOM 1623 CG1 ILE A 103 -11.601 -5.714 -5.881 1.00 0.00 C ATOM 1624 CG2 ILE A 103 -11.202 -3.237 -5.916 1.00 0.00 C ATOM 1625 CD1 ILE A 103 -13.084 -5.752 -6.175 1.00 0.00 C ATOM 0 H ILE A 103 -10.617 -6.352 -3.489 1.00 0.00 H new ATOM 0 HA ILE A 103 -9.062 -4.884 -5.294 1.00 0.00 H new ATOM 0 HB ILE A 103 -11.876 -4.369 -4.238 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -11.052 -5.720 -6.823 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -11.322 -6.620 -5.343 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -12.204 -3.097 -6.322 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -10.934 -2.375 -5.305 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -10.489 -3.337 -6.735 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -13.316 -6.642 -6.759 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -13.640 -5.777 -5.238 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -13.366 -4.864 -6.740 1.00 0.00 H new ATOM 1637 N ALA A 104 -9.904 -3.296 -2.514 1.00 0.00 N ATOM 1638 CA ALA A 104 -9.587 -2.146 -1.676 1.00 0.00 C ATOM 1639 C ALA A 104 -8.081 -1.916 -1.606 1.00 0.00 C ATOM 1640 O ALA A 104 -7.604 -0.799 -1.806 1.00 0.00 O ATOM 1641 CB ALA A 104 -10.159 -2.336 -0.279 1.00 0.00 C ATOM 0 H ALA A 104 -10.578 -3.943 -2.105 1.00 0.00 H new ATOM 0 HA ALA A 104 -10.043 -1.264 -2.126 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -9.914 -1.469 0.335 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -11.242 -2.443 -0.341 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -9.731 -3.232 0.171 1.00 0.00 H new ATOM 1647 N TRP A 105 -7.338 -2.980 -1.322 1.00 0.00 N ATOM 1648 CA TRP A 105 -5.885 -2.893 -1.225 1.00 0.00 C ATOM 1649 C TRP A 105 -5.277 -2.452 -2.551 1.00 0.00 C ATOM 1650 O TRP A 105 -4.402 -1.587 -2.588 1.00 0.00 O ATOM 1651 CB TRP A 105 -5.300 -4.242 -0.804 1.00 0.00 C ATOM 1652 CG TRP A 105 -5.188 -4.403 0.682 1.00 0.00 C ATOM 1653 CD1 TRP A 105 -5.876 -5.286 1.465 1.00 0.00 C ATOM 1654 CD2 TRP A 105 -4.339 -3.660 1.563 1.00 0.00 C ATOM 1655 NE1 TRP A 105 -5.506 -5.137 2.779 1.00 0.00 N ATOM 1656 CE2 TRP A 105 -4.564 -4.146 2.866 1.00 0.00 C ATOM 1657 CE3 TRP A 105 -3.410 -2.633 1.378 1.00 0.00 C ATOM 1658 CZ2 TRP A 105 -3.893 -3.638 3.976 1.00 0.00 C ATOM 1659 CZ3 TRP A 105 -2.746 -2.130 2.481 1.00 0.00 C ATOM 1660 CH2 TRP A 105 -2.989 -2.633 3.766 1.00 0.00 C ATOM 0 H TRP A 105 -7.717 -3.912 -1.155 1.00 0.00 H new ATOM 0 HA TRP A 105 -5.640 -2.147 -0.469 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -5.925 -5.041 -1.203 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -4.312 -4.357 -1.250 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -6.604 -5.997 1.104 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -5.873 -5.677 3.563 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -3.214 -2.239 0.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -4.080 -4.024 4.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -2.027 -1.335 2.350 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -2.452 -2.219 4.607 1.00 0.00 H new ATOM 1671 N LYS A 106 -5.745 -3.053 -3.640 1.00 0.00 N ATOM 1672 CA LYS A 106 -5.248 -2.721 -4.970 1.00 0.00 C ATOM 1673 C LYS A 106 -5.319 -1.218 -5.219 1.00 0.00 C ATOM 1674 O LYS A 106 -4.418 -0.634 -5.822 1.00 0.00 O ATOM 1675 CB LYS A 106 -6.053 -3.465 -6.038 1.00 0.00 C ATOM 1676 CG LYS A 106 -5.961 -2.836 -7.418 1.00 0.00 C ATOM 1677 CD LYS A 106 -6.166 -3.866 -8.515 1.00 0.00 C ATOM 1678 CE LYS A 106 -5.523 -3.425 -9.821 1.00 0.00 C ATOM 1679 NZ LYS A 106 -6.181 -4.049 -11.002 1.00 0.00 N ATOM 0 H LYS A 106 -6.468 -3.773 -3.627 1.00 0.00 H new ATOM 0 HA LYS A 106 -4.205 -3.031 -5.028 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -5.702 -4.495 -6.094 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -7.099 -3.501 -5.733 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -6.710 -2.050 -7.511 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -4.986 -2.363 -7.539 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -5.742 -4.820 -8.203 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -7.233 -4.027 -8.670 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -5.579 -2.340 -9.905 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -4.466 -3.689 -9.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -5.714 -3.723 -11.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -6.105 -5.084 -10.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.184 -3.776 -11.025 1.00 0.00 H new ATOM 1693 N THR A 107 -6.396 -0.596 -4.750 1.00 0.00 N ATOM 1694 CA THR A 107 -6.585 0.839 -4.921 1.00 0.00 C ATOM 1695 C THR A 107 -5.650 1.629 -4.013 1.00 0.00 C ATOM 1696 O THR A 107 -5.126 2.672 -4.402 1.00 0.00 O ATOM 1697 CB THR A 107 -8.039 1.253 -4.628 1.00 0.00 C ATOM 1698 OG1 THR A 107 -8.937 0.517 -5.466 1.00 0.00 O ATOM 1699 CG2 THR A 107 -8.234 2.745 -4.855 1.00 0.00 C ATOM 0 H THR A 107 -7.151 -1.064 -4.249 1.00 0.00 H new ATOM 0 HA THR A 107 -6.353 1.066 -5.962 1.00 0.00 H new ATOM 0 HB THR A 107 -8.253 1.030 -3.583 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.859 0.785 -5.272 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.269 3.013 -4.642 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.571 3.303 -4.194 1.00 0.00 H new ATOM 0 HG23 THR A 107 -8.002 2.989 -5.892 1.00 0.00 H new ATOM 1707 N ALA A 108 -5.446 1.125 -2.800 1.00 0.00 N ATOM 1708 CA ALA A 108 -4.571 1.783 -1.837 1.00 0.00 C ATOM 1709 C ALA A 108 -3.109 1.664 -2.253 1.00 0.00 C ATOM 1710 O ALA A 108 -2.284 2.511 -1.907 1.00 0.00 O ATOM 1711 CB ALA A 108 -4.777 1.194 -0.449 1.00 0.00 C ATOM 0 H ALA A 108 -5.875 0.264 -2.461 1.00 0.00 H new ATOM 0 HA ALA A 108 -4.829 2.842 -1.812 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -4.118 1.694 0.260 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -5.814 1.337 -0.143 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -4.548 0.129 -0.468 1.00 0.00 H new ATOM 1717 N LEU A 109 -2.794 0.610 -2.997 1.00 0.00 N ATOM 1718 CA LEU A 109 -1.430 0.380 -3.460 1.00 0.00 C ATOM 1719 C LEU A 109 -1.184 1.073 -4.796 1.00 0.00 C ATOM 1720 O LEU A 109 -0.159 1.727 -4.988 1.00 0.00 O ATOM 1721 CB LEU A 109 -1.161 -1.120 -3.593 1.00 0.00 C ATOM 1722 CG LEU A 109 -1.147 -1.918 -2.289 1.00 0.00 C ATOM 1723 CD1 LEU A 109 -1.446 -3.385 -2.558 1.00 0.00 C ATOM 1724 CD2 LEU A 109 0.193 -1.765 -1.585 1.00 0.00 C ATOM 0 H LEU A 109 -3.465 -0.099 -3.293 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.747 0.801 -2.722 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.919 -1.548 -4.249 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.199 -1.254 -4.088 1.00 0.00 H new ATOM 0 HG LEU A 109 -1.925 -1.524 -1.635 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.432 -3.937 -1.618 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.430 -3.477 -3.018 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -0.691 -3.793 -3.230 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.185 -2.340 -0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.989 -2.132 -2.233 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.367 -0.713 -1.358 1.00 0.00 H new ATOM 1736 N MET A 110 -2.132 0.928 -5.715 1.00 0.00 N ATOM 1737 CA MET A 110 -2.020 1.543 -7.033 1.00 0.00 C ATOM 1738 C MET A 110 -1.991 3.064 -6.921 1.00 0.00 C ATOM 1739 O MET A 110 -1.379 3.743 -7.744 1.00 0.00 O ATOM 1740 CB MET A 110 -3.185 1.107 -7.924 1.00 0.00 C ATOM 1741 CG MET A 110 -3.002 -0.274 -8.530 1.00 0.00 C ATOM 1742 SD MET A 110 -2.081 -0.236 -10.080 1.00 0.00 S ATOM 1743 CE MET A 110 -0.564 -1.054 -9.593 1.00 0.00 C ATOM 0 H MET A 110 -2.987 0.390 -5.572 1.00 0.00 H new ATOM 0 HA MET A 110 -1.085 1.211 -7.484 1.00 0.00 H new ATOM 0 HB2 MET A 110 -4.104 1.119 -7.338 1.00 0.00 H new ATOM 0 HB3 MET A 110 -3.309 1.834 -8.727 1.00 0.00 H new ATOM 0 HG2 MET A 110 -2.480 -0.913 -7.817 1.00 0.00 H new ATOM 0 HG3 MET A 110 -3.980 -0.723 -8.704 1.00 0.00 H new ATOM 0 HE1 MET A 110 0.051 -1.235 -10.475 1.00 0.00 H new ATOM 0 HE2 MET A 110 -0.018 -0.421 -8.893 1.00 0.00 H new ATOM 0 HE3 MET A 110 -0.801 -2.004 -9.114 1.00 0.00 H new ATOM 1753 N GLU A 111 -2.657 3.591 -5.899 1.00 0.00 N ATOM 1754 CA GLU A 111 -2.708 5.032 -5.682 1.00 0.00 C ATOM 1755 C GLU A 111 -1.388 5.543 -5.111 1.00 0.00 C ATOM 1756 O GLU A 111 -0.686 6.327 -5.749 1.00 0.00 O ATOM 1757 CB GLU A 111 -3.857 5.388 -4.737 1.00 0.00 C ATOM 1758 CG GLU A 111 -5.175 5.642 -5.449 1.00 0.00 C ATOM 1759 CD GLU A 111 -5.244 7.022 -6.073 1.00 0.00 C ATOM 1760 OE1 GLU A 111 -4.491 7.277 -7.037 1.00 0.00 O ATOM 1761 OE2 GLU A 111 -6.052 7.848 -5.598 1.00 0.00 O ATOM 0 H GLU A 111 -3.169 3.042 -5.208 1.00 0.00 H new ATOM 0 HA GLU A 111 -2.878 5.513 -6.645 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.991 4.578 -4.021 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.585 6.276 -4.166 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -5.316 4.889 -6.225 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -5.995 5.526 -4.740 1.00 0.00 H new ATOM 1768 N ALA A 112 -1.058 5.093 -3.905 1.00 0.00 N ATOM 1769 CA ALA A 112 0.177 5.502 -3.248 1.00 0.00 C ATOM 1770 C ALA A 112 1.379 5.297 -4.163 1.00 0.00 C ATOM 1771 O ALA A 112 2.355 6.044 -4.098 1.00 0.00 O ATOM 1772 CB ALA A 112 0.363 4.734 -1.948 1.00 0.00 C ATOM 0 H ALA A 112 -1.629 4.445 -3.363 1.00 0.00 H new ATOM 0 HA ALA A 112 0.104 6.566 -3.021 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.289 5.050 -1.468 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -0.477 4.935 -1.283 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.410 3.666 -2.160 1.00 0.00 H new ATOM 1778 N ASN A 113 1.303 4.280 -5.015 1.00 0.00 N ATOM 1779 CA ASN A 113 2.386 3.976 -5.942 1.00 0.00 C ATOM 1780 C ASN A 113 2.511 5.062 -7.007 1.00 0.00 C ATOM 1781 O ASN A 113 3.616 5.453 -7.383 1.00 0.00 O ATOM 1782 CB ASN A 113 2.151 2.618 -6.607 1.00 0.00 C ATOM 1783 CG ASN A 113 2.753 2.543 -7.997 1.00 0.00 C ATOM 1784 OD1 ASN A 113 3.970 2.626 -8.163 1.00 0.00 O ATOM 1785 ND2 ASN A 113 1.901 2.385 -9.003 1.00 0.00 N ATOM 0 H ASN A 113 0.502 3.652 -5.082 1.00 0.00 H new ATOM 0 HA ASN A 113 3.316 3.939 -5.375 1.00 0.00 H new ATOM 0 HB2 ASN A 113 2.581 1.833 -5.985 1.00 0.00 H new ATOM 0 HB3 ASN A 113 1.080 2.427 -6.667 1.00 0.00 H new ATOM 0 HD21 ASN A 113 2.248 2.328 -9.961 1.00 0.00 H new ATOM 0 HD22 ASN A 113 0.900 2.321 -8.818 1.00 0.00 H new ATOM 1792 N SER A 114 1.370 5.545 -7.489 1.00 0.00 N ATOM 1793 CA SER A 114 1.352 6.583 -8.512 1.00 0.00 C ATOM 1794 C SER A 114 0.735 7.869 -7.970 1.00 0.00 C ATOM 1795 O SER A 114 -0.087 8.505 -8.631 1.00 0.00 O ATOM 1796 CB SER A 114 0.570 6.106 -9.738 1.00 0.00 C ATOM 1797 OG SER A 114 1.055 6.716 -10.921 1.00 0.00 O ATOM 0 H SER A 114 0.447 5.234 -7.187 1.00 0.00 H new ATOM 0 HA SER A 114 2.382 6.789 -8.804 1.00 0.00 H new ATOM 0 HB2 SER A 114 0.649 5.022 -9.825 1.00 0.00 H new ATOM 0 HB3 SER A 114 -0.487 6.339 -9.612 1.00 0.00 H new ATOM 0 HG SER A 114 0.540 6.394 -11.690 1.00 0.00 H new ATOM 1803 N THR A 115 1.138 8.247 -6.761 1.00 0.00 N ATOM 1804 CA THR A 115 0.625 9.456 -6.128 1.00 0.00 C ATOM 1805 C THR A 115 1.513 9.887 -4.967 1.00 0.00 C ATOM 1806 O THR A 115 1.521 9.274 -3.899 1.00 0.00 O ATOM 1807 CB THR A 115 -0.812 9.254 -5.613 1.00 0.00 C ATOM 1808 OG1 THR A 115 -1.684 8.939 -6.705 1.00 0.00 O ATOM 1809 CG2 THR A 115 -1.313 10.503 -4.903 1.00 0.00 C ATOM 0 H THR A 115 1.818 7.733 -6.201 1.00 0.00 H new ATOM 0 HA THR A 115 0.623 10.236 -6.890 1.00 0.00 H new ATOM 0 HB THR A 115 -0.807 8.428 -4.902 1.00 0.00 H new ATOM 0 HG1 THR A 115 -1.229 9.128 -7.552 1.00 0.00 H new ATOM 0 HG21 THR A 115 -2.330 10.336 -4.548 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.664 10.725 -4.055 1.00 0.00 H new ATOM 0 HG23 THR A 115 -1.304 11.344 -5.596 1.00 0.00 H new ATOM 1817 N PRO A 116 2.281 10.967 -5.176 1.00 0.00 N ATOM 1818 CA PRO A 116 3.186 11.505 -4.157 1.00 0.00 C ATOM 1819 C PRO A 116 2.435 12.143 -2.993 1.00 0.00 C ATOM 1820 O PRO A 116 1.206 12.208 -2.996 1.00 0.00 O ATOM 1821 CB PRO A 116 3.990 12.562 -4.918 1.00 0.00 C ATOM 1822 CG PRO A 116 3.104 12.973 -6.043 1.00 0.00 C ATOM 1823 CD PRO A 116 2.323 11.747 -6.425 1.00 0.00 C ATOM 0 HA PRO A 116 3.800 10.726 -3.706 1.00 0.00 H new ATOM 0 HB2 PRO A 116 4.236 13.409 -4.278 1.00 0.00 H new ATOM 0 HB3 PRO A 116 4.932 12.155 -5.284 1.00 0.00 H new ATOM 0 HG2 PRO A 116 2.438 13.781 -5.740 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.689 13.341 -6.886 1.00 0.00 H new ATOM 0 HD2 PRO A 116 1.322 12.001 -6.774 1.00 0.00 H new ATOM 0 HD3 PRO A 116 2.810 11.194 -7.228 1.00 0.00 H new