USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 677 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 NoAdj-H: A 44 HIS HE2 : A 44 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 48 HIS HE2 : A 48 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 26 TYR OH : rot 30:sc= 0.0103 USER MOD Set 1.2: A 38 THR OG1 : rot 12:sc= 1.48 USER MOD Single : A 1 GLY N :NH3+ 132:sc= 0.0268 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0335 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.742 K(o=-0.74,f=-3!) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= -0.0165 K(o=-0.017,f=-1.6!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0.521 K(o=0.52,f=-0.25) USER MOD Single : A 29 LYS NZ :NH3+ -155:sc= -0.0903 (180deg=-0.542) USER MOD Single : A 30 HIS : no HD1:sc=-0.00686 X(o=-0.0069,f=-0.0069) USER MOD Single : A 33 SER OG : rot 180:sc= 0.104 USER MOD Single : A 34 LYS NZ :NH3+ -157:sc= -0.0374 (180deg=-0.307) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -1.16 K(o=-1.2,f=-0.27) USER MOD Single : A 49 ASN : amide:sc= -0.0552 K(o=-0.055,f=-1.3!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -154:sc= 0.00247 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.524 K(o=-0.52,f=-4.3!) USER MOD Single : A 63 LYS NZ :NH3+ -172:sc= -0.0226 (180deg=-0.0735) USER MOD Single : A 64 GLN : amide:sc= -0.834 X(o=-0.83,f=-0.9) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -3.19! C(o=-3.2!,f=-10!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 0:sc= 1.01 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.454 26.006 -63.893 1.00 0.00 N ATOM 2 CA GLY A 1 -26.523 24.874 -62.988 1.00 0.00 C ATOM 3 C GLY A 1 -26.028 25.213 -61.596 1.00 0.00 C ATOM 4 O GLY A 1 -25.138 26.047 -61.433 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.007 25.711 -64.785 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.414 26.355 -64.086 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.891 26.764 -63.458 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.553 24.523 -62.928 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.929 24.054 -63.391 1.00 0.00 H new ATOM 8 N SER A 2 -26.607 24.566 -60.590 1.00 0.00 N ATOM 9 CA SER A 2 -26.223 24.807 -59.204 1.00 0.00 C ATOM 10 C SER A 2 -26.153 23.498 -58.424 1.00 0.00 C ATOM 11 O SER A 2 -26.767 22.502 -58.805 1.00 0.00 O ATOM 12 CB SER A 2 -27.217 25.760 -58.536 1.00 0.00 C ATOM 13 OG SER A 2 -26.837 27.111 -58.730 1.00 0.00 O ATOM 0 H SER A 2 -27.344 23.871 -60.709 1.00 0.00 H new ATOM 0 HA SER A 2 -25.234 25.264 -59.201 1.00 0.00 H new ATOM 0 HB2 SER A 2 -28.214 25.597 -58.946 1.00 0.00 H new ATOM 0 HB3 SER A 2 -27.272 25.544 -57.469 1.00 0.00 H new ATOM 0 HG SER A 2 -27.489 27.700 -58.295 1.00 0.00 H new ATOM 19 N SER A 3 -25.400 23.509 -57.328 1.00 0.00 N ATOM 20 CA SER A 3 -25.246 22.323 -56.495 1.00 0.00 C ATOM 21 C SER A 3 -25.205 22.698 -55.017 1.00 0.00 C ATOM 22 O SER A 3 -25.028 23.864 -54.666 1.00 0.00 O ATOM 23 CB SER A 3 -23.971 21.568 -56.876 1.00 0.00 C ATOM 24 OG SER A 3 -23.913 20.307 -56.233 1.00 0.00 O ATOM 0 H SER A 3 -24.887 24.326 -56.997 1.00 0.00 H new ATOM 0 HA SER A 3 -26.107 21.677 -56.664 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.935 21.430 -57.957 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.098 22.160 -56.601 1.00 0.00 H new ATOM 0 HG SER A 3 -23.090 19.844 -56.494 1.00 0.00 H new ATOM 30 N GLY A 4 -25.370 21.700 -54.154 1.00 0.00 N ATOM 31 CA GLY A 4 -25.349 21.945 -52.724 1.00 0.00 C ATOM 32 C GLY A 4 -25.846 20.756 -51.925 1.00 0.00 C ATOM 33 O GLY A 4 -26.705 20.006 -52.386 1.00 0.00 O ATOM 0 H GLY A 4 -25.518 20.726 -54.420 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -24.332 22.187 -52.415 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -25.967 22.814 -52.498 1.00 0.00 H new ATOM 37 N SER A 5 -25.303 20.584 -50.724 1.00 0.00 N ATOM 38 CA SER A 5 -25.692 19.475 -49.861 1.00 0.00 C ATOM 39 C SER A 5 -25.138 19.662 -48.452 1.00 0.00 C ATOM 40 O SER A 5 -24.093 20.284 -48.261 1.00 0.00 O ATOM 41 CB SER A 5 -25.197 18.149 -50.444 1.00 0.00 C ATOM 42 OG SER A 5 -25.951 17.059 -49.944 1.00 0.00 O ATOM 0 H SER A 5 -24.592 21.198 -50.327 1.00 0.00 H new ATOM 0 HA SER A 5 -26.780 19.456 -49.805 1.00 0.00 H new ATOM 0 HB2 SER A 5 -25.269 18.177 -51.531 1.00 0.00 H new ATOM 0 HB3 SER A 5 -24.144 18.010 -50.198 1.00 0.00 H new ATOM 0 HG SER A 5 -25.616 16.224 -50.333 1.00 0.00 H new ATOM 48 N SER A 6 -25.847 19.119 -47.467 1.00 0.00 N ATOM 49 CA SER A 6 -25.430 19.229 -46.074 1.00 0.00 C ATOM 50 C SER A 6 -25.726 17.940 -45.315 1.00 0.00 C ATOM 51 O SER A 6 -26.526 17.116 -45.757 1.00 0.00 O ATOM 52 CB SER A 6 -26.137 20.406 -45.400 1.00 0.00 C ATOM 53 OG SER A 6 -25.400 21.606 -45.563 1.00 0.00 O ATOM 0 H SER A 6 -26.713 18.599 -47.608 1.00 0.00 H new ATOM 0 HA SER A 6 -24.354 19.402 -46.055 1.00 0.00 H new ATOM 0 HB2 SER A 6 -27.133 20.527 -45.825 1.00 0.00 H new ATOM 0 HB3 SER A 6 -26.266 20.197 -44.338 1.00 0.00 H new ATOM 0 HG SER A 6 -25.874 22.343 -45.125 1.00 0.00 H new ATOM 59 N GLY A 7 -25.075 17.772 -44.168 1.00 0.00 N ATOM 60 CA GLY A 7 -25.281 16.582 -43.364 1.00 0.00 C ATOM 61 C GLY A 7 -23.977 15.947 -42.924 1.00 0.00 C ATOM 62 O GLY A 7 -23.491 15.008 -43.555 1.00 0.00 O ATOM 0 H GLY A 7 -24.408 18.440 -43.781 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -25.871 16.839 -42.484 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -25.860 15.857 -43.936 1.00 0.00 H new ATOM 66 N LEU A 8 -23.409 16.460 -41.838 1.00 0.00 N ATOM 67 CA LEU A 8 -22.151 15.938 -41.314 1.00 0.00 C ATOM 68 C LEU A 8 -22.344 15.355 -39.917 1.00 0.00 C ATOM 69 O LEU A 8 -21.923 14.233 -39.637 1.00 0.00 O ATOM 70 CB LEU A 8 -21.094 17.042 -41.277 1.00 0.00 C ATOM 71 CG LEU A 8 -19.806 16.713 -40.521 1.00 0.00 C ATOM 72 CD1 LEU A 8 -18.944 15.753 -41.326 1.00 0.00 C ATOM 73 CD2 LEU A 8 -19.035 17.986 -40.202 1.00 0.00 C ATOM 0 H LEU A 8 -23.799 17.236 -41.303 1.00 0.00 H new ATOM 0 HA LEU A 8 -21.812 15.142 -41.977 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -20.833 17.302 -42.303 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -21.540 17.929 -40.827 1.00 0.00 H new ATOM 0 HG LEU A 8 -20.073 16.228 -39.582 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -18.032 15.531 -40.772 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -19.495 14.830 -41.503 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -18.686 16.210 -42.281 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -18.121 17.733 -39.664 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -18.780 18.499 -41.129 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -19.651 18.639 -39.584 1.00 0.00 H new ATOM 85 N LYS A 9 -22.985 16.125 -39.044 1.00 0.00 N ATOM 86 CA LYS A 9 -23.237 15.686 -37.677 1.00 0.00 C ATOM 87 C LYS A 9 -23.583 14.200 -37.638 1.00 0.00 C ATOM 88 O LYS A 9 -24.411 13.726 -38.415 1.00 0.00 O ATOM 89 CB LYS A 9 -24.375 16.501 -37.059 1.00 0.00 C ATOM 90 CG LYS A 9 -24.311 16.584 -35.544 1.00 0.00 C ATOM 91 CD LYS A 9 -23.422 17.728 -35.085 1.00 0.00 C ATOM 92 CE LYS A 9 -21.948 17.377 -35.220 1.00 0.00 C ATOM 93 NZ LYS A 9 -21.104 18.152 -34.269 1.00 0.00 N ATOM 0 H LYS A 9 -23.340 17.057 -39.259 1.00 0.00 H new ATOM 0 HA LYS A 9 -22.328 15.845 -37.097 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -24.353 17.510 -37.471 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -25.327 16.058 -37.350 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -25.316 16.719 -35.143 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -23.932 15.644 -35.143 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -23.640 18.619 -35.674 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -23.646 17.970 -34.046 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -21.811 16.311 -35.041 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -21.620 17.574 -36.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -20.107 17.884 -34.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -21.215 19.169 -34.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -21.400 17.945 -33.294 1.00 0.00 H new ATOM 107 N ARG A 10 -22.944 13.473 -36.728 1.00 0.00 N ATOM 108 CA ARG A 10 -23.185 12.042 -36.587 1.00 0.00 C ATOM 109 C ARG A 10 -22.563 11.509 -35.299 1.00 0.00 C ATOM 110 O ARG A 10 -21.519 11.989 -34.858 1.00 0.00 O ATOM 111 CB ARG A 10 -22.616 11.287 -37.790 1.00 0.00 C ATOM 112 CG ARG A 10 -23.075 9.841 -37.875 1.00 0.00 C ATOM 113 CD ARG A 10 -22.026 8.961 -38.537 1.00 0.00 C ATOM 114 NE ARG A 10 -22.490 7.586 -38.704 1.00 0.00 N ATOM 115 CZ ARG A 10 -23.194 7.170 -39.751 1.00 0.00 C ATOM 116 NH1 ARG A 10 -23.512 8.018 -40.719 1.00 0.00 N ATOM 117 NH2 ARG A 10 -23.580 5.903 -39.831 1.00 0.00 N ATOM 0 H ARG A 10 -22.255 13.851 -36.077 1.00 0.00 H new ATOM 0 HA ARG A 10 -24.263 11.884 -36.542 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -22.906 11.806 -38.704 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -21.527 11.311 -37.742 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -23.287 9.466 -36.874 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -24.006 9.786 -38.439 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -21.767 9.377 -39.511 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -21.117 8.966 -37.936 1.00 0.00 H new ATOM 0 HE ARG A 10 -22.261 6.908 -37.977 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -23.216 8.992 -40.661 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -24.053 7.696 -41.522 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -23.336 5.248 -39.088 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -24.121 5.584 -40.635 1.00 0.00 H new ATOM 131 N ASP A 11 -23.212 10.516 -34.702 1.00 0.00 N ATOM 132 CA ASP A 11 -22.724 9.918 -33.465 1.00 0.00 C ATOM 133 C ASP A 11 -23.022 8.423 -33.430 1.00 0.00 C ATOM 134 O ASP A 11 -23.675 7.888 -34.326 1.00 0.00 O ATOM 135 CB ASP A 11 -23.358 10.606 -32.255 1.00 0.00 C ATOM 136 CG ASP A 11 -23.221 12.115 -32.310 1.00 0.00 C ATOM 137 OD1 ASP A 11 -22.118 12.622 -32.019 1.00 0.00 O ATOM 138 OD2 ASP A 11 -24.218 12.789 -32.646 1.00 0.00 O ATOM 0 H ASP A 11 -24.078 10.108 -35.055 1.00 0.00 H new ATOM 0 HA ASP A 11 -21.643 10.056 -33.426 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -24.414 10.342 -32.202 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -22.891 10.235 -31.343 1.00 0.00 H new ATOM 143 N PHE A 12 -22.539 7.753 -32.388 1.00 0.00 N ATOM 144 CA PHE A 12 -22.753 6.318 -32.237 1.00 0.00 C ATOM 145 C PHE A 12 -22.959 5.951 -30.770 1.00 0.00 C ATOM 146 O PHE A 12 -22.869 6.804 -29.887 1.00 0.00 O ATOM 147 CB PHE A 12 -21.564 5.541 -32.806 1.00 0.00 C ATOM 148 CG PHE A 12 -20.256 5.884 -32.153 1.00 0.00 C ATOM 149 CD1 PHE A 12 -19.709 7.150 -32.288 1.00 0.00 C ATOM 150 CD2 PHE A 12 -19.572 4.940 -31.404 1.00 0.00 C ATOM 151 CE1 PHE A 12 -18.505 7.468 -31.688 1.00 0.00 C ATOM 152 CE2 PHE A 12 -18.368 5.253 -30.801 1.00 0.00 C ATOM 153 CZ PHE A 12 -17.834 6.518 -30.945 1.00 0.00 C ATOM 0 H PHE A 12 -21.997 8.180 -31.637 1.00 0.00 H new ATOM 0 HA PHE A 12 -23.652 6.049 -32.791 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -21.749 4.473 -32.691 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -21.490 5.738 -33.875 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -20.230 7.897 -32.869 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -19.984 3.948 -31.290 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -18.090 8.459 -31.800 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -17.846 4.509 -30.218 1.00 0.00 H new ATOM 0 HZ PHE A 12 -16.892 6.764 -30.477 1.00 0.00 H new ATOM 163 N ILE A 13 -23.237 4.676 -30.519 1.00 0.00 N ATOM 164 CA ILE A 13 -23.456 4.195 -29.161 1.00 0.00 C ATOM 165 C ILE A 13 -22.831 2.819 -28.957 1.00 0.00 C ATOM 166 O ILE A 13 -22.881 1.967 -29.844 1.00 0.00 O ATOM 167 CB ILE A 13 -24.957 4.119 -28.826 1.00 0.00 C ATOM 168 CG1 ILE A 13 -25.659 3.122 -29.750 1.00 0.00 C ATOM 169 CG2 ILE A 13 -25.596 5.495 -28.940 1.00 0.00 C ATOM 170 CD1 ILE A 13 -27.054 2.754 -29.294 1.00 0.00 C ATOM 0 H ILE A 13 -23.316 3.958 -31.239 1.00 0.00 H new ATOM 0 HA ILE A 13 -22.978 4.911 -28.492 1.00 0.00 H new ATOM 0 HB ILE A 13 -25.067 3.773 -27.798 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -25.713 3.545 -30.753 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -25.057 2.216 -29.818 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -26.657 5.424 -28.700 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -25.111 6.180 -28.244 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -25.478 5.868 -29.957 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -27.491 2.044 -29.996 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -27.006 2.302 -28.304 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -27.672 3.651 -29.253 1.00 0.00 H new ATOM 182 N ILE A 14 -22.245 2.610 -27.783 1.00 0.00 N ATOM 183 CA ILE A 14 -21.612 1.337 -27.462 1.00 0.00 C ATOM 184 C ILE A 14 -21.784 0.995 -25.986 1.00 0.00 C ATOM 185 O ILE A 14 -21.657 1.860 -25.118 1.00 0.00 O ATOM 186 CB ILE A 14 -20.110 1.352 -27.803 1.00 0.00 C ATOM 187 CG1 ILE A 14 -19.906 1.651 -29.289 1.00 0.00 C ATOM 188 CG2 ILE A 14 -19.469 0.023 -27.431 1.00 0.00 C ATOM 189 CD1 ILE A 14 -18.505 2.114 -29.625 1.00 0.00 C ATOM 0 H ILE A 14 -22.195 3.306 -27.039 1.00 0.00 H new ATOM 0 HA ILE A 14 -22.105 0.578 -28.069 1.00 0.00 H new ATOM 0 HB ILE A 14 -19.628 2.140 -27.224 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -20.132 0.754 -29.866 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -20.617 2.417 -29.598 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -18.408 0.049 -27.678 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -19.589 -0.152 -26.362 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -19.951 -0.782 -27.986 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -18.433 2.308 -30.695 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -18.282 3.028 -29.075 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -17.790 1.340 -29.347 1.00 0.00 H new ATOM 201 N LEU A 15 -22.071 -0.272 -25.707 1.00 0.00 N ATOM 202 CA LEU A 15 -22.258 -0.730 -24.335 1.00 0.00 C ATOM 203 C LEU A 15 -21.193 -1.753 -23.952 1.00 0.00 C ATOM 204 O LEU A 15 -21.088 -2.813 -24.567 1.00 0.00 O ATOM 205 CB LEU A 15 -23.651 -1.338 -24.165 1.00 0.00 C ATOM 206 CG LEU A 15 -24.765 -0.367 -23.774 1.00 0.00 C ATOM 207 CD1 LEU A 15 -25.342 0.308 -25.009 1.00 0.00 C ATOM 208 CD2 LEU A 15 -25.858 -1.091 -23.001 1.00 0.00 C ATOM 0 H LEU A 15 -22.179 -1.000 -26.413 1.00 0.00 H new ATOM 0 HA LEU A 15 -22.161 0.131 -23.674 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -23.931 -1.822 -25.101 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -23.594 -2.119 -23.407 1.00 0.00 H new ATOM 0 HG LEU A 15 -24.340 0.402 -23.129 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -26.134 0.996 -24.711 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -24.555 0.861 -25.523 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -25.751 -0.448 -25.679 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -26.642 -0.384 -22.731 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -26.280 -1.881 -23.622 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -25.436 -1.527 -22.096 1.00 0.00 H new ATOM 220 N GLY A 16 -20.407 -1.428 -22.931 1.00 0.00 N ATOM 221 CA GLY A 16 -19.362 -2.330 -22.482 1.00 0.00 C ATOM 222 C GLY A 16 -19.038 -2.156 -21.012 1.00 0.00 C ATOM 223 O GLY A 16 -18.953 -1.033 -20.517 1.00 0.00 O ATOM 0 H GLY A 16 -20.475 -0.556 -22.406 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -19.672 -3.359 -22.663 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -18.461 -2.160 -23.072 1.00 0.00 H new ATOM 227 N ASN A 17 -18.858 -3.271 -20.311 1.00 0.00 N ATOM 228 CA ASN A 17 -18.544 -3.237 -18.887 1.00 0.00 C ATOM 229 C ASN A 17 -17.829 -4.514 -18.457 1.00 0.00 C ATOM 230 O ASN A 17 -17.930 -5.547 -19.119 1.00 0.00 O ATOM 231 CB ASN A 17 -19.821 -3.052 -18.066 1.00 0.00 C ATOM 232 CG ASN A 17 -20.536 -4.364 -17.806 1.00 0.00 C ATOM 233 OD1 ASN A 17 -20.050 -5.210 -17.055 1.00 0.00 O ATOM 234 ND2 ASN A 17 -21.697 -4.539 -18.427 1.00 0.00 N ATOM 0 H ASN A 17 -18.924 -4.209 -20.706 1.00 0.00 H new ATOM 0 HA ASN A 17 -17.879 -2.392 -18.707 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -19.573 -2.582 -17.114 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -20.493 -2.373 -18.592 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -22.224 -5.402 -18.290 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -22.062 -3.811 -19.041 1.00 0.00 H new ATOM 241 N GLY A 18 -17.108 -4.436 -17.343 1.00 0.00 N ATOM 242 CA GLY A 18 -16.388 -5.593 -16.843 1.00 0.00 C ATOM 243 C GLY A 18 -16.481 -5.727 -15.336 1.00 0.00 C ATOM 244 O GLY A 18 -16.073 -4.840 -14.586 1.00 0.00 O ATOM 0 H GLY A 18 -17.009 -3.593 -16.778 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -16.785 -6.494 -17.310 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -15.340 -5.519 -17.134 1.00 0.00 H new ATOM 248 N PRO A 19 -17.031 -6.859 -14.872 1.00 0.00 N ATOM 249 CA PRO A 19 -17.191 -7.132 -13.441 1.00 0.00 C ATOM 250 C PRO A 19 -15.857 -7.380 -12.745 1.00 0.00 C ATOM 251 O PRO A 19 -15.286 -8.466 -12.847 1.00 0.00 O ATOM 252 CB PRO A 19 -18.051 -8.398 -13.415 1.00 0.00 C ATOM 253 CG PRO A 19 -17.782 -9.065 -14.720 1.00 0.00 C ATOM 254 CD PRO A 19 -17.540 -7.959 -15.709 1.00 0.00 C ATOM 0 HA PRO A 19 -17.634 -6.288 -12.913 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -17.782 -9.042 -12.578 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -19.108 -8.156 -13.304 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -16.916 -9.723 -14.651 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -18.627 -9.682 -15.024 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -16.817 -8.252 -16.471 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -18.455 -7.678 -16.229 1.00 0.00 H new ATOM 262 N ARG A 20 -15.365 -6.367 -12.039 1.00 0.00 N ATOM 263 CA ARG A 20 -14.098 -6.476 -11.328 1.00 0.00 C ATOM 264 C ARG A 20 -14.246 -7.343 -10.081 1.00 0.00 C ATOM 265 O ARG A 20 -15.358 -7.702 -9.691 1.00 0.00 O ATOM 266 CB ARG A 20 -13.586 -5.088 -10.939 1.00 0.00 C ATOM 267 CG ARG A 20 -12.710 -4.442 -12.000 1.00 0.00 C ATOM 268 CD ARG A 20 -12.045 -3.177 -11.479 1.00 0.00 C ATOM 269 NE ARG A 20 -11.506 -2.357 -12.561 1.00 0.00 N ATOM 270 CZ ARG A 20 -12.127 -1.292 -13.055 1.00 0.00 C ATOM 271 NH1 ARG A 20 -13.303 -0.920 -12.567 1.00 0.00 N ATOM 272 NH2 ARG A 20 -11.572 -0.597 -14.040 1.00 0.00 N ATOM 0 H ARG A 20 -15.825 -5.462 -11.945 1.00 0.00 H new ATOM 0 HA ARG A 20 -13.376 -6.949 -11.994 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -14.438 -4.439 -10.739 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -13.020 -5.166 -10.011 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -11.946 -5.149 -12.323 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -13.314 -4.203 -12.876 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.769 -2.595 -10.909 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.242 -3.446 -10.793 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.603 -2.616 -12.959 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -13.733 -1.452 -11.810 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -13.778 -0.102 -12.948 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.668 -0.881 -14.418 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.049 0.221 -14.419 1.00 0.00 H new ATOM 286 N LEU A 21 -13.120 -7.676 -9.461 1.00 0.00 N ATOM 287 CA LEU A 21 -13.124 -8.502 -8.258 1.00 0.00 C ATOM 288 C LEU A 21 -14.179 -8.016 -7.268 1.00 0.00 C ATOM 289 O LEU A 21 -14.060 -6.928 -6.706 1.00 0.00 O ATOM 290 CB LEU A 21 -11.744 -8.485 -7.599 1.00 0.00 C ATOM 291 CG LEU A 21 -10.571 -8.897 -8.489 1.00 0.00 C ATOM 292 CD1 LEU A 21 -9.288 -8.224 -8.027 1.00 0.00 C ATOM 293 CD2 LEU A 21 -10.410 -10.411 -8.492 1.00 0.00 C ATOM 0 H LEU A 21 -12.192 -7.387 -9.771 1.00 0.00 H new ATOM 0 HA LEU A 21 -13.368 -9.524 -8.549 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.554 -7.479 -7.225 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.768 -9.148 -6.734 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.781 -8.572 -9.508 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.464 -8.529 -8.672 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.406 -7.142 -8.077 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.072 -8.518 -7.000 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.571 -10.686 -9.131 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -10.223 -10.759 -7.476 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.321 -10.873 -8.871 1.00 0.00 H new ATOM 305 N GLN A 22 -15.207 -8.832 -7.060 1.00 0.00 N ATOM 306 CA GLN A 22 -16.281 -8.485 -6.136 1.00 0.00 C ATOM 307 C GLN A 22 -16.136 -9.246 -4.822 1.00 0.00 C ATOM 308 O GLN A 22 -16.734 -10.305 -4.638 1.00 0.00 O ATOM 309 CB GLN A 22 -17.641 -8.788 -6.766 1.00 0.00 C ATOM 310 CG GLN A 22 -18.806 -8.637 -5.801 1.00 0.00 C ATOM 311 CD GLN A 22 -20.094 -8.245 -6.498 1.00 0.00 C ATOM 312 OE1 GLN A 22 -20.872 -9.103 -6.917 1.00 0.00 O ATOM 313 NE2 GLN A 22 -20.327 -6.944 -6.626 1.00 0.00 N ATOM 0 H GLN A 22 -15.319 -9.737 -7.518 1.00 0.00 H new ATOM 0 HA GLN A 22 -16.215 -7.417 -5.926 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -17.795 -8.122 -7.615 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -17.633 -9.806 -7.156 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -18.956 -9.577 -5.269 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -18.558 -7.884 -5.053 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -19.655 -6.267 -6.264 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -21.178 -6.621 -7.086 1.00 0.00 H new ATOM 322 N ASN A 23 -15.336 -8.699 -3.913 1.00 0.00 N ATOM 323 CA ASN A 23 -15.112 -9.327 -2.616 1.00 0.00 C ATOM 324 C ASN A 23 -14.522 -8.329 -1.623 1.00 0.00 C ATOM 325 O ASN A 23 -14.220 -7.190 -1.978 1.00 0.00 O ATOM 326 CB ASN A 23 -14.177 -10.529 -2.763 1.00 0.00 C ATOM 327 CG ASN A 23 -13.027 -10.255 -3.712 1.00 0.00 C ATOM 328 OD1 ASN A 23 -12.490 -9.148 -3.750 1.00 0.00 O ATOM 329 ND2 ASN A 23 -12.643 -11.265 -4.484 1.00 0.00 N ATOM 0 H ASN A 23 -14.832 -7.823 -4.050 1.00 0.00 H new ATOM 0 HA ASN A 23 -16.074 -9.668 -2.234 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -13.780 -10.799 -1.784 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -14.746 -11.386 -3.124 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.874 -11.140 -5.142 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -13.117 -12.166 -4.419 1.00 0.00 H new ATOM 336 N SER A 24 -14.360 -8.766 -0.378 1.00 0.00 N ATOM 337 CA SER A 24 -13.810 -7.911 0.667 1.00 0.00 C ATOM 338 C SER A 24 -12.361 -8.285 0.967 1.00 0.00 C ATOM 339 O SER A 24 -12.088 -9.309 1.594 1.00 0.00 O ATOM 340 CB SER A 24 -14.651 -8.020 1.940 1.00 0.00 C ATOM 341 OG SER A 24 -13.981 -7.439 3.045 1.00 0.00 O ATOM 0 H SER A 24 -14.602 -9.707 -0.069 1.00 0.00 H new ATOM 0 HA SER A 24 -13.835 -6.881 0.311 1.00 0.00 H new ATOM 0 HB2 SER A 24 -15.610 -7.523 1.790 1.00 0.00 H new ATOM 0 HB3 SER A 24 -14.864 -9.068 2.150 1.00 0.00 H new ATOM 0 HG SER A 24 -14.540 -7.520 3.846 1.00 0.00 H new ATOM 347 N THR A 25 -11.434 -7.446 0.514 1.00 0.00 N ATOM 348 CA THR A 25 -10.014 -7.687 0.733 1.00 0.00 C ATOM 349 C THR A 25 -9.390 -6.576 1.570 1.00 0.00 C ATOM 350 O THR A 25 -9.977 -5.507 1.737 1.00 0.00 O ATOM 351 CB THR A 25 -9.252 -7.798 -0.601 1.00 0.00 C ATOM 352 OG1 THR A 25 -9.577 -6.688 -1.446 1.00 0.00 O ATOM 353 CG2 THR A 25 -9.591 -9.100 -1.312 1.00 0.00 C ATOM 0 H THR A 25 -11.642 -6.594 -0.007 1.00 0.00 H new ATOM 0 HA THR A 25 -9.933 -8.632 1.270 1.00 0.00 H new ATOM 0 HB THR A 25 -8.184 -7.788 -0.385 1.00 0.00 H new ATOM 0 HG1 THR A 25 -9.087 -6.766 -2.291 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.041 -9.156 -2.251 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.314 -9.943 -0.679 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.661 -9.135 -1.516 1.00 0.00 H new ATOM 361 N TYR A 26 -8.197 -6.835 2.094 1.00 0.00 N ATOM 362 CA TYR A 26 -7.494 -5.858 2.916 1.00 0.00 C ATOM 363 C TYR A 26 -6.266 -5.318 2.190 1.00 0.00 C ATOM 364 O TYR A 26 -5.307 -6.049 1.944 1.00 0.00 O ATOM 365 CB TYR A 26 -7.079 -6.484 4.248 1.00 0.00 C ATOM 366 CG TYR A 26 -8.236 -6.715 5.195 1.00 0.00 C ATOM 367 CD1 TYR A 26 -9.386 -7.369 4.771 1.00 0.00 C ATOM 368 CD2 TYR A 26 -8.178 -6.279 6.513 1.00 0.00 C ATOM 369 CE1 TYR A 26 -10.445 -7.582 5.632 1.00 0.00 C ATOM 370 CE2 TYR A 26 -9.232 -6.489 7.381 1.00 0.00 C ATOM 371 CZ TYR A 26 -10.363 -7.140 6.936 1.00 0.00 C ATOM 372 OH TYR A 26 -11.415 -7.350 7.797 1.00 0.00 O ATOM 0 H TYR A 26 -7.697 -7.714 1.964 1.00 0.00 H new ATOM 0 HA TYR A 26 -8.174 -5.028 3.109 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.584 -7.435 4.054 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -6.348 -5.837 4.732 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -9.453 -7.717 3.751 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -7.294 -5.767 6.865 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -11.332 -8.092 5.286 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.170 -6.145 8.403 1.00 0.00 H new ATOM 0 HH TYR A 26 -11.888 -8.170 7.542 1.00 0.00 H new ATOM 382 N GLN A 27 -6.303 -4.034 1.852 1.00 0.00 N ATOM 383 CA GLN A 27 -5.193 -3.395 1.154 1.00 0.00 C ATOM 384 C GLN A 27 -4.099 -2.984 2.134 1.00 0.00 C ATOM 385 O GLN A 27 -4.239 -2.000 2.860 1.00 0.00 O ATOM 386 CB GLN A 27 -5.686 -2.172 0.379 1.00 0.00 C ATOM 387 CG GLN A 27 -6.103 -2.485 -1.049 1.00 0.00 C ATOM 388 CD GLN A 27 -4.976 -2.286 -2.044 1.00 0.00 C ATOM 389 OE1 GLN A 27 -5.056 -1.433 -2.928 1.00 0.00 O ATOM 390 NE2 GLN A 27 -3.918 -3.075 -1.904 1.00 0.00 N ATOM 0 H GLN A 27 -7.089 -3.415 2.050 1.00 0.00 H new ATOM 0 HA GLN A 27 -4.775 -4.116 0.452 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.532 -1.734 0.908 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.897 -1.420 0.362 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.453 -3.516 -1.103 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.943 -1.848 -1.326 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -3.894 -3.769 -1.157 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.128 -2.988 -2.544 1.00 0.00 H new ATOM 399 N CYS A 28 -3.009 -3.744 2.148 1.00 0.00 N ATOM 400 CA CYS A 28 -1.890 -3.460 3.039 1.00 0.00 C ATOM 401 C CYS A 28 -1.260 -2.110 2.707 1.00 0.00 C ATOM 402 O CYS A 28 -0.892 -1.849 1.562 1.00 0.00 O ATOM 403 CB CYS A 28 -0.837 -4.565 2.938 1.00 0.00 C ATOM 404 SG CYS A 28 0.307 -4.634 4.354 1.00 0.00 S ATOM 0 H CYS A 28 -2.877 -4.561 1.552 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.271 -3.423 4.060 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.342 -5.526 2.846 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.260 -4.420 2.025 1.00 0.00 H new ATOM 409 N LYS A 29 -1.137 -1.256 3.718 1.00 0.00 N ATOM 410 CA LYS A 29 -0.550 0.066 3.536 1.00 0.00 C ATOM 411 C LYS A 29 0.963 0.020 3.721 1.00 0.00 C ATOM 412 O LYS A 29 1.602 1.047 3.952 1.00 0.00 O ATOM 413 CB LYS A 29 -1.165 1.059 4.524 1.00 0.00 C ATOM 414 CG LYS A 29 -0.912 0.706 5.980 1.00 0.00 C ATOM 415 CD LYS A 29 0.467 1.159 6.431 1.00 0.00 C ATOM 416 CE LYS A 29 0.522 1.360 7.938 1.00 0.00 C ATOM 417 NZ LYS A 29 -0.350 2.484 8.379 1.00 0.00 N ATOM 0 H LYS A 29 -1.436 -1.456 4.672 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.764 0.394 2.519 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.763 2.052 4.325 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.240 1.110 4.353 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.672 1.173 6.606 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.005 -0.372 6.116 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.210 0.418 6.134 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.728 2.091 5.929 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.213 0.442 8.438 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.550 1.557 8.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.006 2.868 9.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.344 3.232 7.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.322 2.138 8.511 1.00 0.00 H new ATOM 431 N HIS A 30 1.531 -1.178 3.617 1.00 0.00 N ATOM 432 CA HIS A 30 2.970 -1.357 3.771 1.00 0.00 C ATOM 433 C HIS A 30 3.610 -1.774 2.450 1.00 0.00 C ATOM 434 O HIS A 30 4.717 -1.345 2.121 1.00 0.00 O ATOM 435 CB HIS A 30 3.263 -2.404 4.846 1.00 0.00 C ATOM 436 CG HIS A 30 3.402 -1.828 6.221 1.00 0.00 C ATOM 437 ND1 HIS A 30 2.492 -2.061 7.230 1.00 0.00 N ATOM 438 CD2 HIS A 30 4.353 -1.025 6.753 1.00 0.00 C ATOM 439 CE1 HIS A 30 2.876 -1.425 8.323 1.00 0.00 C ATOM 440 NE2 HIS A 30 4.003 -0.789 8.060 1.00 0.00 N ATOM 0 H HIS A 30 1.017 -2.038 3.427 1.00 0.00 H new ATOM 0 HA HIS A 30 3.399 -0.403 4.077 1.00 0.00 H new ATOM 0 HB2 HIS A 30 2.462 -3.143 4.850 1.00 0.00 H new ATOM 0 HB3 HIS A 30 4.181 -2.931 4.587 1.00 0.00 H new ATOM 0 HD2 HIS A 30 5.225 -0.641 6.244 1.00 0.00 H new ATOM 0 HE1 HIS A 30 2.357 -1.425 9.270 1.00 0.00 H new ATOM 0 HE2 HIS A 30 4.528 -0.216 8.720 1.00 0.00 H new ATOM 448 N CYS A 31 2.907 -2.614 1.697 1.00 0.00 N ATOM 449 CA CYS A 31 3.406 -3.091 0.413 1.00 0.00 C ATOM 450 C CYS A 31 2.327 -2.989 -0.661 1.00 0.00 C ATOM 451 O CYS A 31 2.555 -3.338 -1.820 1.00 0.00 O ATOM 452 CB CYS A 31 3.886 -4.538 0.534 1.00 0.00 C ATOM 453 SG CYS A 31 2.658 -5.671 1.260 1.00 0.00 S ATOM 0 H CYS A 31 1.990 -2.978 1.954 1.00 0.00 H new ATOM 0 HA CYS A 31 4.246 -2.461 0.121 1.00 0.00 H new ATOM 0 HB2 CYS A 31 4.160 -4.903 -0.456 1.00 0.00 H new ATOM 0 HB3 CYS A 31 4.790 -4.560 1.143 1.00 0.00 H new ATOM 458 N ASP A 32 1.152 -2.510 -0.268 1.00 0.00 N ATOM 459 CA ASP A 32 0.037 -2.362 -1.197 1.00 0.00 C ATOM 460 C ASP A 32 -0.421 -3.720 -1.718 1.00 0.00 C ATOM 461 O ASP A 32 -0.688 -3.882 -2.908 1.00 0.00 O ATOM 462 CB ASP A 32 0.437 -1.461 -2.367 1.00 0.00 C ATOM 463 CG ASP A 32 0.127 -0.001 -2.106 1.00 0.00 C ATOM 464 OD1 ASP A 32 0.971 0.684 -1.490 1.00 0.00 O ATOM 465 OD2 ASP A 32 -0.960 0.458 -2.516 1.00 0.00 O ATOM 0 H ASP A 32 0.947 -2.218 0.687 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.792 -1.901 -0.660 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.504 -1.574 -2.560 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.086 -1.785 -3.267 1.00 0.00 H new ATOM 470 N SER A 33 -0.508 -4.695 -0.818 1.00 0.00 N ATOM 471 CA SER A 33 -0.929 -6.041 -1.187 1.00 0.00 C ATOM 472 C SER A 33 -2.431 -6.216 -0.983 1.00 0.00 C ATOM 473 O SER A 33 -3.139 -5.266 -0.648 1.00 0.00 O ATOM 474 CB SER A 33 -0.167 -7.081 -0.364 1.00 0.00 C ATOM 475 OG SER A 33 -0.200 -8.352 -0.990 1.00 0.00 O ATOM 0 H SER A 33 -0.292 -4.577 0.172 1.00 0.00 H new ATOM 0 HA SER A 33 -0.704 -6.188 -2.243 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.867 -6.762 -0.237 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.603 -7.152 0.632 1.00 0.00 H new ATOM 0 HG SER A 33 0.296 -8.998 -0.445 1.00 0.00 H new ATOM 481 N LYS A 34 -2.911 -7.438 -1.187 1.00 0.00 N ATOM 482 CA LYS A 34 -4.328 -7.741 -1.024 1.00 0.00 C ATOM 483 C LYS A 34 -4.522 -9.031 -0.234 1.00 0.00 C ATOM 484 O LYS A 34 -3.994 -10.082 -0.603 1.00 0.00 O ATOM 485 CB LYS A 34 -5.005 -7.861 -2.391 1.00 0.00 C ATOM 486 CG LYS A 34 -5.494 -6.534 -2.946 1.00 0.00 C ATOM 487 CD LYS A 34 -6.596 -6.732 -3.974 1.00 0.00 C ATOM 488 CE LYS A 34 -6.028 -6.878 -5.378 1.00 0.00 C ATOM 489 NZ LYS A 34 -5.444 -5.602 -5.875 1.00 0.00 N ATOM 0 H LYS A 34 -2.339 -8.235 -1.466 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.787 -6.923 -0.468 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.303 -8.304 -3.097 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.850 -8.545 -2.310 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.863 -5.911 -2.131 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.661 -6.000 -3.403 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.176 -7.619 -3.721 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.280 -5.884 -3.943 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.262 -7.654 -5.381 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.816 -7.205 -6.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.427 -5.610 -6.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.023 -4.803 -5.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.474 -5.500 -5.513 1.00 0.00 H new ATOM 503 N LEU A 35 -5.281 -8.946 0.852 1.00 0.00 N ATOM 504 CA LEU A 35 -5.546 -10.108 1.694 1.00 0.00 C ATOM 505 C LEU A 35 -7.044 -10.378 1.794 1.00 0.00 C ATOM 506 O LEU A 35 -7.861 -9.498 1.527 1.00 0.00 O ATOM 507 CB LEU A 35 -4.960 -9.895 3.090 1.00 0.00 C ATOM 508 CG LEU A 35 -3.459 -10.151 3.234 1.00 0.00 C ATOM 509 CD1 LEU A 35 -2.679 -9.347 2.206 1.00 0.00 C ATOM 510 CD2 LEU A 35 -2.993 -9.814 4.643 1.00 0.00 C ATOM 0 H LEU A 35 -5.724 -8.085 1.171 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.070 -10.974 1.235 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.164 -8.869 3.395 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.488 -10.546 3.787 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.272 -11.210 3.055 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.613 -9.542 2.324 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.992 -9.637 1.203 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.872 -8.284 2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.923 -10.002 4.727 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.194 -8.763 4.851 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.528 -10.435 5.361 1.00 0.00 H new ATOM 522 N GLN A 36 -7.395 -11.599 2.183 1.00 0.00 N ATOM 523 CA GLN A 36 -8.795 -11.983 2.321 1.00 0.00 C ATOM 524 C GLN A 36 -9.456 -11.230 3.470 1.00 0.00 C ATOM 525 O GLN A 36 -10.372 -10.435 3.259 1.00 0.00 O ATOM 526 CB GLN A 36 -8.912 -13.491 2.549 1.00 0.00 C ATOM 527 CG GLN A 36 -8.950 -14.301 1.263 1.00 0.00 C ATOM 528 CD GLN A 36 -10.326 -14.322 0.628 1.00 0.00 C ATOM 529 OE1 GLN A 36 -11.269 -14.890 1.179 1.00 0.00 O ATOM 530 NE2 GLN A 36 -10.449 -13.700 -0.539 1.00 0.00 N ATOM 0 H GLN A 36 -6.730 -12.339 2.408 1.00 0.00 H new ATOM 0 HA GLN A 36 -9.310 -11.721 1.397 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.069 -13.825 3.154 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -9.816 -13.694 3.123 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -8.233 -13.885 0.555 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.635 -15.323 1.472 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -9.641 -13.242 -0.960 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.352 -13.680 -1.014 1.00 0.00 H new ATOM 539 N SER A 37 -8.986 -11.486 4.687 1.00 0.00 N ATOM 540 CA SER A 37 -9.534 -10.835 5.871 1.00 0.00 C ATOM 541 C SER A 37 -8.429 -10.503 6.869 1.00 0.00 C ATOM 542 O SER A 37 -7.260 -10.820 6.648 1.00 0.00 O ATOM 543 CB SER A 37 -10.583 -11.731 6.532 1.00 0.00 C ATOM 544 OG SER A 37 -10.112 -13.062 6.654 1.00 0.00 O ATOM 0 H SER A 37 -8.227 -12.140 4.879 1.00 0.00 H new ATOM 0 HA SER A 37 -10.007 -9.905 5.558 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.832 -11.338 7.518 1.00 0.00 H new ATOM 0 HB3 SER A 37 -11.500 -11.719 5.943 1.00 0.00 H new ATOM 0 HG SER A 37 -10.800 -13.615 7.081 1.00 0.00 H new ATOM 550 N THR A 38 -8.809 -9.863 7.971 1.00 0.00 N ATOM 551 CA THR A 38 -7.852 -9.486 9.004 1.00 0.00 C ATOM 552 C THR A 38 -6.983 -10.672 9.406 1.00 0.00 C ATOM 553 O THR A 38 -5.760 -10.557 9.488 1.00 0.00 O ATOM 554 CB THR A 38 -8.563 -8.937 10.255 1.00 0.00 C ATOM 555 OG1 THR A 38 -9.387 -7.821 9.901 1.00 0.00 O ATOM 556 CG2 THR A 38 -7.552 -8.513 11.310 1.00 0.00 C ATOM 0 H THR A 38 -9.773 -9.595 8.171 1.00 0.00 H new ATOM 0 HA THR A 38 -7.222 -8.704 8.581 1.00 0.00 H new ATOM 0 HB THR A 38 -9.185 -9.730 10.669 1.00 0.00 H new ATOM 0 HG1 THR A 38 -9.469 -7.771 8.926 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.078 -8.129 12.184 1.00 0.00 H new ATOM 0 HG22 THR A 38 -6.946 -9.372 11.599 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.907 -7.734 10.903 1.00 0.00 H new ATOM 564 N ALA A 39 -7.621 -11.810 9.656 1.00 0.00 N ATOM 565 CA ALA A 39 -6.905 -13.018 10.047 1.00 0.00 C ATOM 566 C ALA A 39 -5.626 -13.186 9.233 1.00 0.00 C ATOM 567 O ALA A 39 -4.593 -13.595 9.762 1.00 0.00 O ATOM 568 CB ALA A 39 -7.800 -14.238 9.885 1.00 0.00 C ATOM 0 H ALA A 39 -8.633 -11.921 9.595 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.627 -12.922 11.096 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.252 -15.133 10.181 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.683 -14.128 10.515 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.107 -14.328 8.843 1.00 0.00 H new ATOM 574 N GLU A 40 -5.704 -12.868 7.945 1.00 0.00 N ATOM 575 CA GLU A 40 -4.552 -12.986 7.059 1.00 0.00 C ATOM 576 C GLU A 40 -3.571 -11.840 7.287 1.00 0.00 C ATOM 577 O GLU A 40 -2.355 -12.027 7.225 1.00 0.00 O ATOM 578 CB GLU A 40 -5.004 -13.001 5.597 1.00 0.00 C ATOM 579 CG GLU A 40 -5.587 -14.333 5.154 1.00 0.00 C ATOM 580 CD GLU A 40 -4.723 -15.511 5.560 1.00 0.00 C ATOM 581 OE1 GLU A 40 -4.908 -16.021 6.685 1.00 0.00 O ATOM 582 OE2 GLU A 40 -3.863 -15.923 4.754 1.00 0.00 O ATOM 0 H GLU A 40 -6.552 -12.527 7.492 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.047 -13.925 7.285 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.750 -12.220 5.448 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.154 -12.756 4.960 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.582 -14.451 5.584 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.706 -14.331 4.071 1.00 0.00 H new ATOM 589 N LEU A 41 -4.107 -10.654 7.551 1.00 0.00 N ATOM 590 CA LEU A 41 -3.280 -9.476 7.788 1.00 0.00 C ATOM 591 C LEU A 41 -2.480 -9.623 9.079 1.00 0.00 C ATOM 592 O LEU A 41 -1.343 -9.161 9.175 1.00 0.00 O ATOM 593 CB LEU A 41 -4.152 -8.221 7.855 1.00 0.00 C ATOM 594 CG LEU A 41 -3.436 -6.893 7.605 1.00 0.00 C ATOM 595 CD1 LEU A 41 -2.947 -6.812 6.167 1.00 0.00 C ATOM 596 CD2 LEU A 41 -4.357 -5.723 7.923 1.00 0.00 C ATOM 0 H LEU A 41 -5.111 -10.482 7.606 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.580 -9.381 6.958 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.955 -8.321 7.125 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.619 -8.179 8.839 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.570 -6.839 8.265 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.440 -5.860 6.008 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.253 -7.630 5.972 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.797 -6.888 5.489 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.831 -4.786 7.740 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.242 -5.773 7.288 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.658 -5.771 8.969 1.00 0.00 H new ATOM 608 N THR A 42 -3.083 -10.271 10.072 1.00 0.00 N ATOM 609 CA THR A 42 -2.428 -10.480 11.357 1.00 0.00 C ATOM 610 C THR A 42 -1.117 -11.239 11.188 1.00 0.00 C ATOM 611 O THR A 42 -0.182 -11.064 11.970 1.00 0.00 O ATOM 612 CB THR A 42 -3.335 -11.255 12.330 1.00 0.00 C ATOM 613 OG1 THR A 42 -4.624 -10.634 12.398 1.00 0.00 O ATOM 614 CG2 THR A 42 -2.718 -11.308 13.720 1.00 0.00 C ATOM 0 H THR A 42 -4.024 -10.660 10.010 1.00 0.00 H new ATOM 0 HA THR A 42 -2.223 -9.493 11.772 1.00 0.00 H new ATOM 0 HB THR A 42 -3.442 -12.274 11.958 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.196 -11.134 13.018 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.377 -11.861 14.390 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.750 -11.807 13.670 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.584 -10.294 14.098 1.00 0.00 H new ATOM 622 N SER A 43 -1.054 -12.083 10.163 1.00 0.00 N ATOM 623 CA SER A 43 0.142 -12.872 9.894 1.00 0.00 C ATOM 624 C SER A 43 1.043 -12.166 8.885 1.00 0.00 C ATOM 625 O SER A 43 2.266 -12.154 9.029 1.00 0.00 O ATOM 626 CB SER A 43 -0.242 -14.257 9.371 1.00 0.00 C ATOM 627 OG SER A 43 -0.589 -15.126 10.435 1.00 0.00 O ATOM 0 H SER A 43 -1.818 -12.238 9.505 1.00 0.00 H new ATOM 0 HA SER A 43 0.691 -12.984 10.829 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.081 -14.169 8.681 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.590 -14.680 8.808 1.00 0.00 H new ATOM 0 HG SER A 43 -0.832 -16.004 10.074 1.00 0.00 H new ATOM 633 N HIS A 44 0.429 -11.579 7.863 1.00 0.00 N ATOM 634 CA HIS A 44 1.174 -10.870 6.829 1.00 0.00 C ATOM 635 C HIS A 44 1.926 -9.681 7.419 1.00 0.00 C ATOM 636 O HIS A 44 3.097 -9.457 7.107 1.00 0.00 O ATOM 637 CB HIS A 44 0.228 -10.392 5.726 1.00 0.00 C ATOM 638 CG HIS A 44 0.846 -9.390 4.800 1.00 0.00 C ATOM 639 ND1 HIS A 44 1.704 -9.737 3.778 1.00 0.00 N ATOM 640 CD2 HIS A 44 0.724 -8.043 4.745 1.00 0.00 C ATOM 641 CE1 HIS A 44 2.084 -8.647 3.136 1.00 0.00 C ATOM 642 NE2 HIS A 44 1.503 -7.605 3.703 1.00 0.00 N ATOM 0 H HIS A 44 -0.582 -11.580 7.729 1.00 0.00 H new ATOM 0 HA HIS A 44 1.900 -11.561 6.401 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.106 -11.253 5.146 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.658 -9.953 6.184 1.00 0.00 H new ATOM 0 HD1 HIS A 44 1.999 -10.687 3.553 1.00 0.00 H new ATOM 0 HD2 HIS A 44 0.125 -7.427 5.399 1.00 0.00 H new ATOM 0 HE1 HIS A 44 2.756 -8.613 2.291 1.00 0.00 H new ATOM 650 N LEU A 45 1.248 -8.923 8.273 1.00 0.00 N ATOM 651 CA LEU A 45 1.852 -7.756 8.907 1.00 0.00 C ATOM 652 C LEU A 45 3.120 -8.142 9.662 1.00 0.00 C ATOM 653 O LEU A 45 4.144 -7.467 9.561 1.00 0.00 O ATOM 654 CB LEU A 45 0.856 -7.099 9.864 1.00 0.00 C ATOM 655 CG LEU A 45 -0.038 -6.014 9.262 1.00 0.00 C ATOM 656 CD1 LEU A 45 -1.128 -5.615 10.244 1.00 0.00 C ATOM 657 CD2 LEU A 45 0.791 -4.802 8.860 1.00 0.00 C ATOM 0 H LEU A 45 0.280 -9.095 8.543 1.00 0.00 H new ATOM 0 HA LEU A 45 2.119 -7.045 8.125 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.217 -7.877 10.282 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.413 -6.664 10.694 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.513 -6.417 8.368 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.754 -4.842 9.798 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.740 -6.485 10.482 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.673 -5.231 11.157 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.138 -4.040 8.434 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.295 -4.398 9.738 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.534 -5.099 8.120 1.00 0.00 H new ATOM 669 N ASN A 46 3.045 -9.235 10.415 1.00 0.00 N ATOM 670 CA ASN A 46 4.188 -9.712 11.185 1.00 0.00 C ATOM 671 C ASN A 46 5.470 -9.636 10.360 1.00 0.00 C ATOM 672 O ASN A 46 6.512 -9.206 10.854 1.00 0.00 O ATOM 673 CB ASN A 46 3.952 -11.150 11.650 1.00 0.00 C ATOM 674 CG ASN A 46 3.263 -11.216 12.999 1.00 0.00 C ATOM 675 OD1 ASN A 46 3.744 -11.873 13.923 1.00 0.00 O ATOM 676 ND2 ASN A 46 2.129 -10.534 13.118 1.00 0.00 N ATOM 0 H ASN A 46 2.205 -9.807 10.508 1.00 0.00 H new ATOM 0 HA ASN A 46 4.300 -9.069 12.058 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.347 -11.673 10.910 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.907 -11.672 11.707 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.620 -10.541 14.002 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.768 -10.003 12.326 1.00 0.00 H new ATOM 683 N ILE A 47 5.383 -10.056 9.103 1.00 0.00 N ATOM 684 CA ILE A 47 6.534 -10.034 8.210 1.00 0.00 C ATOM 685 C ILE A 47 7.245 -8.686 8.262 1.00 0.00 C ATOM 686 O ILE A 47 8.474 -8.618 8.221 1.00 0.00 O ATOM 687 CB ILE A 47 6.124 -10.329 6.755 1.00 0.00 C ATOM 688 CG1 ILE A 47 5.464 -11.706 6.657 1.00 0.00 C ATOM 689 CG2 ILE A 47 7.335 -10.250 5.837 1.00 0.00 C ATOM 690 CD1 ILE A 47 4.682 -11.912 5.378 1.00 0.00 C ATOM 0 H ILE A 47 4.527 -10.416 8.680 1.00 0.00 H new ATOM 0 HA ILE A 47 7.214 -10.814 8.553 1.00 0.00 H new ATOM 0 HB ILE A 47 5.402 -9.577 6.437 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.233 -12.475 6.731 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.796 -11.841 7.508 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.029 -10.461 4.812 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.766 -9.250 5.889 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.079 -10.982 6.152 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.242 -12.909 5.377 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.890 -11.166 5.312 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.350 -11.809 4.523 1.00 0.00 H new ATOM 702 N HIS A 48 6.464 -7.615 8.355 1.00 0.00 N ATOM 703 CA HIS A 48 7.019 -6.267 8.417 1.00 0.00 C ATOM 704 C HIS A 48 7.678 -6.012 9.769 1.00 0.00 C ATOM 705 O HIS A 48 8.875 -5.742 9.846 1.00 0.00 O ATOM 706 CB HIS A 48 5.925 -5.230 8.165 1.00 0.00 C ATOM 707 CG HIS A 48 5.404 -5.238 6.761 1.00 0.00 C ATOM 708 ND1 HIS A 48 6.218 -5.379 5.657 1.00 0.00 N ATOM 709 CD2 HIS A 48 4.142 -5.122 6.284 1.00 0.00 C ATOM 710 CE1 HIS A 48 5.480 -5.349 4.561 1.00 0.00 C ATOM 711 NE2 HIS A 48 4.216 -5.194 4.914 1.00 0.00 N ATOM 0 H HIS A 48 5.445 -7.654 8.389 1.00 0.00 H new ATOM 0 HA HIS A 48 7.779 -6.178 7.641 1.00 0.00 H new ATOM 0 HB2 HIS A 48 5.098 -5.412 8.852 1.00 0.00 H new ATOM 0 HB3 HIS A 48 6.316 -4.239 8.393 1.00 0.00 H new ATOM 0 HD1 HIS A 48 7.232 -5.489 5.682 1.00 0.00 H new ATOM 0 HD2 HIS A 48 3.244 -4.996 6.871 1.00 0.00 H new ATOM 0 HE1 HIS A 48 5.847 -5.436 3.549 1.00 0.00 H new ATOM 719 N ASN A 49 6.885 -6.098 10.833 1.00 0.00 N ATOM 720 CA ASN A 49 7.391 -5.874 12.182 1.00 0.00 C ATOM 721 C ASN A 49 8.711 -6.609 12.398 1.00 0.00 C ATOM 722 O ASN A 49 9.707 -6.011 12.802 1.00 0.00 O ATOM 723 CB ASN A 49 6.363 -6.334 13.218 1.00 0.00 C ATOM 724 CG ASN A 49 5.185 -5.386 13.324 1.00 0.00 C ATOM 725 OD1 ASN A 49 5.317 -4.185 13.086 1.00 0.00 O ATOM 726 ND2 ASN A 49 4.024 -5.922 13.682 1.00 0.00 N ATOM 0 H ASN A 49 5.891 -6.321 10.787 1.00 0.00 H new ATOM 0 HA ASN A 49 7.567 -4.805 12.304 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.003 -7.328 12.952 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.846 -6.420 14.192 1.00 0.00 H new ATOM 0 HD21 ASN A 49 3.196 -5.333 13.769 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.960 -6.923 13.870 1.00 0.00 H new ATOM 733 N GLU A 50 8.708 -7.910 12.124 1.00 0.00 N ATOM 734 CA GLU A 50 9.905 -8.727 12.288 1.00 0.00 C ATOM 735 C GLU A 50 11.086 -8.119 11.536 1.00 0.00 C ATOM 736 O GLU A 50 12.227 -8.194 11.989 1.00 0.00 O ATOM 737 CB GLU A 50 9.649 -10.152 11.792 1.00 0.00 C ATOM 738 CG GLU A 50 9.495 -10.253 10.284 1.00 0.00 C ATOM 739 CD GLU A 50 9.661 -11.671 9.774 1.00 0.00 C ATOM 740 OE1 GLU A 50 9.413 -12.614 10.555 1.00 0.00 O ATOM 741 OE2 GLU A 50 10.039 -11.839 8.596 1.00 0.00 O ATOM 0 H GLU A 50 7.891 -8.420 11.788 1.00 0.00 H new ATOM 0 HA GLU A 50 10.150 -8.758 13.350 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.473 -10.791 12.108 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.747 -10.537 12.267 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.511 -9.881 9.997 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.232 -9.610 9.803 1.00 0.00 H new ATOM 748 N GLU A 51 10.800 -7.519 10.385 1.00 0.00 N ATOM 749 CA GLU A 51 11.839 -6.900 9.569 1.00 0.00 C ATOM 750 C GLU A 51 12.289 -5.574 10.176 1.00 0.00 C ATOM 751 O GLU A 51 13.483 -5.280 10.237 1.00 0.00 O ATOM 752 CB GLU A 51 11.332 -6.675 8.143 1.00 0.00 C ATOM 753 CG GLU A 51 11.098 -7.962 7.370 1.00 0.00 C ATOM 754 CD GLU A 51 12.373 -8.522 6.771 1.00 0.00 C ATOM 755 OE1 GLU A 51 13.345 -8.728 7.527 1.00 0.00 O ATOM 756 OE2 GLU A 51 12.398 -8.756 5.544 1.00 0.00 O ATOM 0 H GLU A 51 9.859 -7.448 9.997 1.00 0.00 H new ATOM 0 HA GLU A 51 12.694 -7.576 9.540 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.400 -6.110 8.182 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.053 -6.062 7.602 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.656 -8.705 8.034 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.377 -7.777 6.573 1.00 0.00 H new ATOM 763 N PHE A 52 11.324 -4.777 10.623 1.00 0.00 N ATOM 764 CA PHE A 52 11.620 -3.482 11.224 1.00 0.00 C ATOM 765 C PHE A 52 12.674 -3.618 12.318 1.00 0.00 C ATOM 766 O PHE A 52 13.578 -2.789 12.430 1.00 0.00 O ATOM 767 CB PHE A 52 10.346 -2.861 11.801 1.00 0.00 C ATOM 768 CG PHE A 52 10.601 -1.640 12.638 1.00 0.00 C ATOM 769 CD1 PHE A 52 11.149 -0.499 12.075 1.00 0.00 C ATOM 770 CD2 PHE A 52 10.293 -1.634 13.989 1.00 0.00 C ATOM 771 CE1 PHE A 52 11.384 0.626 12.843 1.00 0.00 C ATOM 772 CE2 PHE A 52 10.525 -0.512 14.762 1.00 0.00 C ATOM 773 CZ PHE A 52 11.073 0.619 14.188 1.00 0.00 C ATOM 0 H PHE A 52 10.331 -5.005 10.580 1.00 0.00 H new ATOM 0 HA PHE A 52 12.014 -2.829 10.445 1.00 0.00 H new ATOM 0 HB2 PHE A 52 9.677 -2.597 10.982 1.00 0.00 H new ATOM 0 HB3 PHE A 52 9.830 -3.606 12.407 1.00 0.00 H new ATOM 0 HD1 PHE A 52 11.396 -0.488 11.024 1.00 0.00 H new ATOM 0 HD2 PHE A 52 9.867 -2.516 14.443 1.00 0.00 H new ATOM 0 HE1 PHE A 52 11.810 1.509 12.391 1.00 0.00 H new ATOM 0 HE2 PHE A 52 10.278 -0.519 15.813 1.00 0.00 H new ATOM 0 HZ PHE A 52 11.258 1.496 14.790 1.00 0.00 H new ATOM 783 N GLN A 53 12.551 -4.668 13.123 1.00 0.00 N ATOM 784 CA GLN A 53 13.492 -4.912 14.210 1.00 0.00 C ATOM 785 C GLN A 53 14.931 -4.754 13.730 1.00 0.00 C ATOM 786 O GLN A 53 15.773 -4.192 14.431 1.00 0.00 O ATOM 787 CB GLN A 53 13.285 -6.313 14.787 1.00 0.00 C ATOM 788 CG GLN A 53 11.897 -6.534 15.366 1.00 0.00 C ATOM 789 CD GLN A 53 11.798 -6.116 16.820 1.00 0.00 C ATOM 790 OE1 GLN A 53 12.031 -6.916 17.726 1.00 0.00 O ATOM 791 NE2 GLN A 53 11.450 -4.855 17.051 1.00 0.00 N ATOM 0 H GLN A 53 11.809 -5.363 13.043 1.00 0.00 H new ATOM 0 HA GLN A 53 13.306 -4.174 14.991 1.00 0.00 H new ATOM 0 HB2 GLN A 53 13.464 -7.050 14.004 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.027 -6.489 15.566 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.169 -5.972 14.780 1.00 0.00 H new ATOM 0 HG3 GLN A 53 11.633 -7.588 15.276 1.00 0.00 H new ATOM 0 HE21 GLN A 53 11.266 -4.225 16.270 1.00 0.00 H new ATOM 0 HE22 GLN A 53 11.367 -4.516 18.010 1.00 0.00 H new ATOM 800 N LYS A 54 15.207 -5.254 12.530 1.00 0.00 N ATOM 801 CA LYS A 54 16.544 -5.168 11.954 1.00 0.00 C ATOM 802 C LYS A 54 16.904 -3.722 11.629 1.00 0.00 C ATOM 803 O LYS A 54 18.024 -3.279 11.886 1.00 0.00 O ATOM 804 CB LYS A 54 16.632 -6.024 10.689 1.00 0.00 C ATOM 805 CG LYS A 54 18.038 -6.507 10.378 1.00 0.00 C ATOM 806 CD LYS A 54 18.531 -7.497 11.419 1.00 0.00 C ATOM 807 CE LYS A 54 19.654 -8.366 10.875 1.00 0.00 C ATOM 808 NZ LYS A 54 20.446 -8.997 11.967 1.00 0.00 N ATOM 0 H LYS A 54 14.522 -5.723 11.937 1.00 0.00 H new ATOM 0 HA LYS A 54 17.255 -5.544 12.690 1.00 0.00 H new ATOM 0 HB2 LYS A 54 15.976 -6.888 10.799 1.00 0.00 H new ATOM 0 HB3 LYS A 54 16.260 -5.446 9.843 1.00 0.00 H new ATOM 0 HG2 LYS A 54 18.053 -6.975 9.394 1.00 0.00 H new ATOM 0 HG3 LYS A 54 18.716 -5.654 10.336 1.00 0.00 H new ATOM 0 HD2 LYS A 54 18.881 -6.957 12.299 1.00 0.00 H new ATOM 0 HD3 LYS A 54 17.704 -8.129 11.741 1.00 0.00 H new ATOM 0 HE2 LYS A 54 19.235 -9.142 10.235 1.00 0.00 H new ATOM 0 HE3 LYS A 54 20.312 -7.761 10.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 21.201 -9.581 11.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 20.867 -8.256 12.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 19.823 -9.595 12.547 1.00 0.00 H new ATOM 822 N ARG A 55 15.949 -2.991 11.065 1.00 0.00 N ATOM 823 CA ARG A 55 16.166 -1.595 10.705 1.00 0.00 C ATOM 824 C ARG A 55 16.529 -0.767 11.934 1.00 0.00 C ATOM 825 O ARG A 55 17.397 0.103 11.875 1.00 0.00 O ATOM 826 CB ARG A 55 14.917 -1.017 10.038 1.00 0.00 C ATOM 827 CG ARG A 55 14.870 -1.241 8.535 1.00 0.00 C ATOM 828 CD ARG A 55 13.833 -0.348 7.871 1.00 0.00 C ATOM 829 NE ARG A 55 13.588 -0.732 6.484 1.00 0.00 N ATOM 830 CZ ARG A 55 12.963 -1.849 6.130 1.00 0.00 C ATOM 831 NH1 ARG A 55 12.522 -2.688 7.057 1.00 0.00 N ATOM 832 NH2 ARG A 55 12.778 -2.129 4.846 1.00 0.00 N ATOM 0 H ARG A 55 15.017 -3.342 10.847 1.00 0.00 H new ATOM 0 HA ARG A 55 16.997 -1.553 10.001 1.00 0.00 H new ATOM 0 HB2 ARG A 55 14.033 -1.465 10.491 1.00 0.00 H new ATOM 0 HB3 ARG A 55 14.870 0.053 10.239 1.00 0.00 H new ATOM 0 HG2 ARG A 55 15.852 -1.042 8.105 1.00 0.00 H new ATOM 0 HG3 ARG A 55 14.638 -2.286 8.329 1.00 0.00 H new ATOM 0 HD2 ARG A 55 12.899 -0.398 8.431 1.00 0.00 H new ATOM 0 HD3 ARG A 55 14.171 0.688 7.906 1.00 0.00 H new ATOM 0 HE ARG A 55 13.915 -0.108 5.746 1.00 0.00 H new ATOM 0 HH11 ARG A 55 12.662 -2.476 8.045 1.00 0.00 H new ATOM 0 HH12 ARG A 55 12.042 -3.545 6.782 1.00 0.00 H new ATOM 0 HH21 ARG A 55 13.116 -1.486 4.130 1.00 0.00 H new ATOM 0 HH22 ARG A 55 12.298 -2.987 4.575 1.00 0.00 H new ATOM 846 N ALA A 56 15.856 -1.044 13.047 1.00 0.00 N ATOM 847 CA ALA A 56 16.109 -0.326 14.290 1.00 0.00 C ATOM 848 C ALA A 56 17.270 -0.949 15.058 1.00 0.00 C ATOM 849 O ALA A 56 17.251 -1.017 16.287 1.00 0.00 O ATOM 850 CB ALA A 56 14.855 -0.307 15.152 1.00 0.00 C ATOM 0 H ALA A 56 15.132 -1.760 13.113 1.00 0.00 H new ATOM 0 HA ALA A 56 16.382 0.699 14.039 1.00 0.00 H new ATOM 0 HB1 ALA A 56 15.058 0.232 16.077 1.00 0.00 H new ATOM 0 HB2 ALA A 56 14.049 0.190 14.611 1.00 0.00 H new ATOM 0 HB3 ALA A 56 14.558 -1.330 15.386 1.00 0.00 H new ATOM 856 N LYS A 57 18.281 -1.403 14.325 1.00 0.00 N ATOM 857 CA LYS A 57 19.453 -2.019 14.936 1.00 0.00 C ATOM 858 C LYS A 57 20.006 -1.145 16.057 1.00 0.00 C ATOM 859 O LYS A 57 19.767 0.062 16.091 1.00 0.00 O ATOM 860 CB LYS A 57 20.536 -2.260 13.882 1.00 0.00 C ATOM 861 CG LYS A 57 21.279 -1.000 13.474 1.00 0.00 C ATOM 862 CD LYS A 57 20.611 -0.315 12.294 1.00 0.00 C ATOM 863 CE LYS A 57 20.871 -1.063 10.995 1.00 0.00 C ATOM 864 NZ LYS A 57 20.024 -0.552 9.882 1.00 0.00 N ATOM 0 H LYS A 57 18.312 -1.356 13.307 1.00 0.00 H new ATOM 0 HA LYS A 57 19.149 -2.975 15.361 1.00 0.00 H new ATOM 0 HB2 LYS A 57 21.252 -2.985 14.269 1.00 0.00 H new ATOM 0 HB3 LYS A 57 20.078 -2.704 12.998 1.00 0.00 H new ATOM 0 HG2 LYS A 57 21.321 -0.312 14.319 1.00 0.00 H new ATOM 0 HG3 LYS A 57 22.308 -1.251 13.215 1.00 0.00 H new ATOM 0 HD2 LYS A 57 19.537 -0.251 12.469 1.00 0.00 H new ATOM 0 HD3 LYS A 57 20.982 0.706 12.207 1.00 0.00 H new ATOM 0 HE2 LYS A 57 21.923 -0.967 10.725 1.00 0.00 H new ATOM 0 HE3 LYS A 57 20.675 -2.125 11.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 19.884 -1.305 9.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 19.101 -0.253 10.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 20.494 0.259 9.432 1.00 0.00 H new ATOM 878 N ARG A 58 20.746 -1.763 16.972 1.00 0.00 N ATOM 879 CA ARG A 58 21.333 -1.040 18.094 1.00 0.00 C ATOM 880 C ARG A 58 22.262 0.066 17.603 1.00 0.00 C ATOM 881 O ARG A 58 22.852 -0.039 16.528 1.00 0.00 O ATOM 882 CB ARG A 58 22.102 -2.002 19.001 1.00 0.00 C ATOM 883 CG ARG A 58 21.244 -2.638 20.082 1.00 0.00 C ATOM 884 CD ARG A 58 20.399 -3.774 19.526 1.00 0.00 C ATOM 885 NE ARG A 58 19.348 -4.180 20.456 1.00 0.00 N ATOM 886 CZ ARG A 58 18.301 -4.917 20.104 1.00 0.00 C ATOM 887 NH1 ARG A 58 18.166 -5.328 18.851 1.00 0.00 N ATOM 888 NH2 ARG A 58 17.386 -5.246 21.008 1.00 0.00 N ATOM 0 H ARG A 58 20.953 -2.762 16.958 1.00 0.00 H new ATOM 0 HA ARG A 58 20.523 -0.583 18.663 1.00 0.00 H new ATOM 0 HB2 ARG A 58 22.544 -2.789 18.390 1.00 0.00 H new ATOM 0 HB3 ARG A 58 22.925 -1.464 19.472 1.00 0.00 H new ATOM 0 HG2 ARG A 58 21.883 -3.015 20.880 1.00 0.00 H new ATOM 0 HG3 ARG A 58 20.594 -1.882 20.524 1.00 0.00 H new ATOM 0 HD2 ARG A 58 19.949 -3.463 18.583 1.00 0.00 H new ATOM 0 HD3 ARG A 58 21.039 -4.629 19.307 1.00 0.00 H new ATOM 0 HE ARG A 58 19.422 -3.881 21.428 1.00 0.00 H new ATOM 0 HH11 ARG A 58 18.868 -5.078 18.154 1.00 0.00 H new ATOM 0 HH12 ARG A 58 17.361 -5.894 18.584 1.00 0.00 H new ATOM 0 HH21 ARG A 58 17.487 -4.933 21.973 1.00 0.00 H new ATOM 0 HH22 ARG A 58 16.582 -5.812 20.737 1.00 0.00 H new ATOM 902 N GLN A 59 22.386 1.124 18.397 1.00 0.00 N ATOM 903 CA GLN A 59 23.242 2.249 18.042 1.00 0.00 C ATOM 904 C GLN A 59 23.541 3.113 19.263 1.00 0.00 C ATOM 905 O GLN A 59 22.969 2.909 20.333 1.00 0.00 O ATOM 906 CB GLN A 59 22.582 3.096 16.952 1.00 0.00 C ATOM 907 CG GLN A 59 21.232 3.666 17.359 1.00 0.00 C ATOM 908 CD GLN A 59 20.471 4.256 16.189 1.00 0.00 C ATOM 909 OE1 GLN A 59 20.422 5.474 16.016 1.00 0.00 O ATOM 910 NE2 GLN A 59 19.872 3.393 15.376 1.00 0.00 N ATOM 0 H GLN A 59 21.905 1.226 19.290 1.00 0.00 H new ATOM 0 HA GLN A 59 24.183 1.851 17.663 1.00 0.00 H new ATOM 0 HB2 GLN A 59 23.249 3.917 16.687 1.00 0.00 H new ATOM 0 HB3 GLN A 59 22.455 2.487 16.057 1.00 0.00 H new ATOM 0 HG2 GLN A 59 20.633 2.879 17.817 1.00 0.00 H new ATOM 0 HG3 GLN A 59 21.380 4.436 18.116 1.00 0.00 H new ATOM 0 HE21 GLN A 59 19.939 2.391 15.557 1.00 0.00 H new ATOM 0 HE22 GLN A 59 19.346 3.732 14.571 1.00 0.00 H new ATOM 919 N GLU A 60 24.440 4.077 19.094 1.00 0.00 N ATOM 920 CA GLU A 60 24.815 4.971 20.183 1.00 0.00 C ATOM 921 C GLU A 60 23.858 6.156 20.269 1.00 0.00 C ATOM 922 O GLU A 60 24.259 7.269 20.609 1.00 0.00 O ATOM 923 CB GLU A 60 26.248 5.472 19.992 1.00 0.00 C ATOM 924 CG GLU A 60 26.953 5.812 21.294 1.00 0.00 C ATOM 925 CD GLU A 60 27.603 4.602 21.939 1.00 0.00 C ATOM 926 OE1 GLU A 60 26.957 3.534 21.982 1.00 0.00 O ATOM 927 OE2 GLU A 60 28.757 4.725 22.399 1.00 0.00 O ATOM 0 H GLU A 60 24.922 4.259 18.214 1.00 0.00 H new ATOM 0 HA GLU A 60 24.755 4.410 21.115 1.00 0.00 H new ATOM 0 HB2 GLU A 60 26.823 4.710 19.466 1.00 0.00 H new ATOM 0 HB3 GLU A 60 26.233 6.357 19.355 1.00 0.00 H new ATOM 0 HG2 GLU A 60 27.713 6.570 21.104 1.00 0.00 H new ATOM 0 HG3 GLU A 60 26.235 6.248 21.989 1.00 0.00 H new ATOM 934 N ARG A 61 22.590 5.908 19.957 1.00 0.00 N ATOM 935 CA ARG A 61 21.575 6.954 19.997 1.00 0.00 C ATOM 936 C ARG A 61 20.331 6.478 20.741 1.00 0.00 C ATOM 937 O ARG A 61 19.206 6.801 20.361 1.00 0.00 O ATOM 938 CB ARG A 61 21.199 7.384 18.577 1.00 0.00 C ATOM 939 CG ARG A 61 22.065 8.509 18.032 1.00 0.00 C ATOM 940 CD ARG A 61 21.306 9.357 17.023 1.00 0.00 C ATOM 941 NE ARG A 61 20.174 10.051 17.632 1.00 0.00 N ATOM 942 CZ ARG A 61 19.450 10.969 17.003 1.00 0.00 C ATOM 943 NH1 ARG A 61 19.738 11.302 15.752 1.00 0.00 N ATOM 944 NH2 ARG A 61 18.435 11.556 17.624 1.00 0.00 N ATOM 0 H ARG A 61 22.241 4.992 19.674 1.00 0.00 H new ATOM 0 HA ARG A 61 21.992 7.808 20.531 1.00 0.00 H new ATOM 0 HB2 ARG A 61 21.276 6.523 17.913 1.00 0.00 H new ATOM 0 HB3 ARG A 61 20.156 7.702 18.567 1.00 0.00 H new ATOM 0 HG2 ARG A 61 22.406 9.138 18.854 1.00 0.00 H new ATOM 0 HG3 ARG A 61 22.954 8.090 17.561 1.00 0.00 H new ATOM 0 HD2 ARG A 61 21.984 10.087 16.581 1.00 0.00 H new ATOM 0 HD3 ARG A 61 20.948 8.722 16.212 1.00 0.00 H new ATOM 0 HE ARG A 61 19.926 9.817 18.593 1.00 0.00 H new ATOM 0 HH11 ARG A 61 20.517 10.853 15.271 1.00 0.00 H new ATOM 0 HH12 ARG A 61 19.180 12.008 15.271 1.00 0.00 H new ATOM 0 HH21 ARG A 61 18.210 11.302 18.586 1.00 0.00 H new ATOM 0 HH22 ARG A 61 17.880 12.261 17.139 1.00 0.00 H new ATOM 958 N ARG A 62 20.543 5.707 21.803 1.00 0.00 N ATOM 959 CA ARG A 62 19.439 5.184 22.599 1.00 0.00 C ATOM 960 C ARG A 62 19.760 5.260 24.089 1.00 0.00 C ATOM 961 O ARG A 62 20.841 5.699 24.481 1.00 0.00 O ATOM 962 CB ARG A 62 19.138 3.737 22.205 1.00 0.00 C ATOM 963 CG ARG A 62 18.828 3.560 20.727 1.00 0.00 C ATOM 964 CD ARG A 62 18.694 2.091 20.358 1.00 0.00 C ATOM 965 NE ARG A 62 17.370 1.565 20.679 1.00 0.00 N ATOM 966 CZ ARG A 62 16.320 1.675 19.874 1.00 0.00 C ATOM 967 NH1 ARG A 62 16.438 2.290 18.705 1.00 0.00 N ATOM 968 NH2 ARG A 62 15.148 1.169 20.237 1.00 0.00 N ATOM 0 H ARG A 62 21.468 5.431 22.132 1.00 0.00 H new ATOM 0 HA ARG A 62 18.560 5.797 22.402 1.00 0.00 H new ATOM 0 HB2 ARG A 62 19.993 3.113 22.466 1.00 0.00 H new ATOM 0 HB3 ARG A 62 18.291 3.378 22.791 1.00 0.00 H new ATOM 0 HG2 ARG A 62 17.904 4.083 20.483 1.00 0.00 H new ATOM 0 HG3 ARG A 62 19.619 4.015 20.131 1.00 0.00 H new ATOM 0 HD2 ARG A 62 18.885 1.966 19.292 1.00 0.00 H new ATOM 0 HD3 ARG A 62 19.452 1.514 20.888 1.00 0.00 H new ATOM 0 HE ARG A 62 17.245 1.087 21.571 1.00 0.00 H new ATOM 0 HH11 ARG A 62 17.337 2.680 18.422 1.00 0.00 H new ATOM 0 HH12 ARG A 62 15.630 2.373 18.089 1.00 0.00 H new ATOM 0 HH21 ARG A 62 15.053 0.695 21.135 1.00 0.00 H new ATOM 0 HH22 ARG A 62 14.342 1.254 19.618 1.00 0.00 H new ATOM 982 N LYS A 63 18.812 4.830 24.916 1.00 0.00 N ATOM 983 CA LYS A 63 18.993 4.849 26.363 1.00 0.00 C ATOM 984 C LYS A 63 17.812 4.189 27.066 1.00 0.00 C ATOM 985 O LYS A 63 16.657 4.414 26.704 1.00 0.00 O ATOM 986 CB LYS A 63 19.157 6.287 26.859 1.00 0.00 C ATOM 987 CG LYS A 63 19.142 6.414 28.372 1.00 0.00 C ATOM 988 CD LYS A 63 17.723 6.443 28.915 1.00 0.00 C ATOM 989 CE LYS A 63 17.657 7.139 30.266 1.00 0.00 C ATOM 990 NZ LYS A 63 18.313 6.337 31.336 1.00 0.00 N ATOM 0 H LYS A 63 17.911 4.464 24.609 1.00 0.00 H new ATOM 0 HA LYS A 63 19.896 4.286 26.599 1.00 0.00 H new ATOM 0 HB2 LYS A 63 20.096 6.689 26.478 1.00 0.00 H new ATOM 0 HB3 LYS A 63 18.357 6.899 26.443 1.00 0.00 H new ATOM 0 HG2 LYS A 63 19.685 5.578 28.814 1.00 0.00 H new ATOM 0 HG3 LYS A 63 19.664 7.324 28.667 1.00 0.00 H new ATOM 0 HD2 LYS A 63 17.072 6.957 28.208 1.00 0.00 H new ATOM 0 HD3 LYS A 63 17.348 5.424 29.011 1.00 0.00 H new ATOM 0 HE2 LYS A 63 18.139 8.114 30.196 1.00 0.00 H new ATOM 0 HE3 LYS A 63 16.615 7.317 30.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 18.130 6.776 32.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 17.929 5.370 31.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 19.338 6.303 31.165 1.00 0.00 H new ATOM 1004 N GLN A 64 18.109 3.375 28.075 1.00 0.00 N ATOM 1005 CA GLN A 64 17.070 2.683 28.829 1.00 0.00 C ATOM 1006 C GLN A 64 17.657 1.993 30.056 1.00 0.00 C ATOM 1007 O GLN A 64 18.872 1.823 30.164 1.00 0.00 O ATOM 1008 CB GLN A 64 16.362 1.658 27.942 1.00 0.00 C ATOM 1009 CG GLN A 64 17.305 0.646 27.311 1.00 0.00 C ATOM 1010 CD GLN A 64 17.601 -0.525 28.227 1.00 0.00 C ATOM 1011 OE1 GLN A 64 18.719 -0.674 28.721 1.00 0.00 O ATOM 1012 NE2 GLN A 64 16.599 -1.365 28.458 1.00 0.00 N ATOM 0 H GLN A 64 19.060 3.179 28.389 1.00 0.00 H new ATOM 0 HA GLN A 64 16.344 3.424 29.164 1.00 0.00 H new ATOM 0 HB2 GLN A 64 15.618 1.128 28.536 1.00 0.00 H new ATOM 0 HB3 GLN A 64 15.824 2.183 27.152 1.00 0.00 H new ATOM 0 HG2 GLN A 64 16.867 0.276 26.384 1.00 0.00 H new ATOM 0 HG3 GLN A 64 18.239 1.141 27.047 1.00 0.00 H new ATOM 0 HE21 GLN A 64 15.688 -1.203 28.028 1.00 0.00 H new ATOM 0 HE22 GLN A 64 16.740 -2.172 29.066 1.00 0.00 H new ATOM 1021 N LEU A 65 16.786 1.597 30.978 1.00 0.00 N ATOM 1022 CA LEU A 65 17.218 0.924 32.198 1.00 0.00 C ATOM 1023 C LEU A 65 16.213 -0.144 32.616 1.00 0.00 C ATOM 1024 O LEU A 65 15.050 -0.110 32.211 1.00 0.00 O ATOM 1025 CB LEU A 65 17.399 1.940 33.327 1.00 0.00 C ATOM 1026 CG LEU A 65 18.762 2.629 33.399 1.00 0.00 C ATOM 1027 CD1 LEU A 65 18.625 4.027 33.982 1.00 0.00 C ATOM 1028 CD2 LEU A 65 19.736 1.799 34.223 1.00 0.00 C ATOM 0 H LEU A 65 15.777 1.730 30.904 1.00 0.00 H new ATOM 0 HA LEU A 65 18.173 0.439 31.997 1.00 0.00 H new ATOM 0 HB2 LEU A 65 16.632 2.707 33.225 1.00 0.00 H new ATOM 0 HB3 LEU A 65 17.219 1.434 34.276 1.00 0.00 H new ATOM 0 HG LEU A 65 19.156 2.718 32.387 1.00 0.00 H new ATOM 0 HD11 LEU A 65 19.606 4.501 34.025 1.00 0.00 H new ATOM 0 HD12 LEU A 65 17.962 4.621 33.352 1.00 0.00 H new ATOM 0 HD13 LEU A 65 18.209 3.963 34.987 1.00 0.00 H new ATOM 0 HD21 LEU A 65 20.701 2.304 34.264 1.00 0.00 H new ATOM 0 HD22 LEU A 65 19.347 1.678 35.234 1.00 0.00 H new ATOM 0 HD23 LEU A 65 19.859 0.819 33.762 1.00 0.00 H new ATOM 1040 N LEU A 66 16.667 -1.090 33.431 1.00 0.00 N ATOM 1041 CA LEU A 66 15.807 -2.168 33.906 1.00 0.00 C ATOM 1042 C LEU A 66 15.338 -1.902 35.333 1.00 0.00 C ATOM 1043 O LEU A 66 15.843 -1.002 36.005 1.00 0.00 O ATOM 1044 CB LEU A 66 16.547 -3.505 33.842 1.00 0.00 C ATOM 1045 CG LEU A 66 16.414 -4.284 32.533 1.00 0.00 C ATOM 1046 CD1 LEU A 66 17.048 -3.513 31.386 1.00 0.00 C ATOM 1047 CD2 LEU A 66 17.045 -5.662 32.666 1.00 0.00 C ATOM 0 H LEU A 66 17.626 -1.132 33.777 1.00 0.00 H new ATOM 0 HA LEU A 66 14.932 -2.213 33.257 1.00 0.00 H new ATOM 0 HB2 LEU A 66 17.605 -3.321 34.026 1.00 0.00 H new ATOM 0 HB3 LEU A 66 16.187 -4.136 34.655 1.00 0.00 H new ATOM 0 HG LEU A 66 15.354 -4.412 32.315 1.00 0.00 H new ATOM 0 HD11 LEU A 66 16.944 -4.083 30.463 1.00 0.00 H new ATOM 0 HD12 LEU A 66 16.550 -2.550 31.276 1.00 0.00 H new ATOM 0 HD13 LEU A 66 18.106 -3.353 31.596 1.00 0.00 H new ATOM 0 HD21 LEU A 66 16.941 -6.202 31.725 1.00 0.00 H new ATOM 0 HD22 LEU A 66 18.102 -5.556 32.909 1.00 0.00 H new ATOM 0 HD23 LEU A 66 16.544 -6.216 33.460 1.00 0.00 H new ATOM 1059 N SER A 67 14.372 -2.691 35.791 1.00 0.00 N ATOM 1060 CA SER A 67 13.834 -2.539 37.138 1.00 0.00 C ATOM 1061 C SER A 67 13.609 -3.901 37.789 1.00 0.00 C ATOM 1062 O SER A 67 13.716 -4.940 37.137 1.00 0.00 O ATOM 1063 CB SER A 67 12.521 -1.756 37.100 1.00 0.00 C ATOM 1064 OG SER A 67 11.598 -2.349 36.203 1.00 0.00 O ATOM 0 H SER A 67 13.945 -3.442 35.249 1.00 0.00 H new ATOM 0 HA SER A 67 14.561 -1.986 37.733 1.00 0.00 H new ATOM 0 HB2 SER A 67 12.088 -1.718 38.100 1.00 0.00 H new ATOM 0 HB3 SER A 67 12.716 -0.727 36.798 1.00 0.00 H new ATOM 0 HG SER A 67 10.767 -1.830 36.199 1.00 0.00 H new ATOM 1070 N LYS A 68 13.296 -3.887 39.080 1.00 0.00 N ATOM 1071 CA LYS A 68 13.054 -5.118 39.823 1.00 0.00 C ATOM 1072 C LYS A 68 12.440 -4.820 41.187 1.00 0.00 C ATOM 1073 O LYS A 68 12.734 -3.792 41.798 1.00 0.00 O ATOM 1074 CB LYS A 68 14.359 -5.897 39.998 1.00 0.00 C ATOM 1075 CG LYS A 68 14.174 -7.254 40.656 1.00 0.00 C ATOM 1076 CD LYS A 68 14.289 -7.160 42.169 1.00 0.00 C ATOM 1077 CE LYS A 68 15.743 -7.130 42.616 1.00 0.00 C ATOM 1078 NZ LYS A 68 16.318 -8.500 42.726 1.00 0.00 N ATOM 0 H LYS A 68 13.204 -3.036 39.634 1.00 0.00 H new ATOM 0 HA LYS A 68 12.350 -5.724 39.253 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.823 -6.036 39.022 1.00 0.00 H new ATOM 0 HB3 LYS A 68 15.049 -5.303 40.597 1.00 0.00 H new ATOM 0 HG2 LYS A 68 13.198 -7.659 40.389 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.923 -7.949 40.276 1.00 0.00 H new ATOM 0 HD2 LYS A 68 13.781 -6.261 42.519 1.00 0.00 H new ATOM 0 HD3 LYS A 68 13.784 -8.010 42.627 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.329 -6.546 41.906 1.00 0.00 H new ATOM 0 HE3 LYS A 68 15.816 -6.627 43.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 17.310 -8.437 43.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 15.775 -9.050 43.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 16.272 -8.971 41.800 1.00 0.00 H new ATOM 1092 N GLN A 69 11.588 -5.724 41.658 1.00 0.00 N ATOM 1093 CA GLN A 69 10.934 -5.556 42.951 1.00 0.00 C ATOM 1094 C GLN A 69 10.213 -6.835 43.366 1.00 0.00 C ATOM 1095 O GLN A 69 9.712 -7.580 42.523 1.00 0.00 O ATOM 1096 CB GLN A 69 9.944 -4.392 42.898 1.00 0.00 C ATOM 1097 CG GLN A 69 8.719 -4.674 42.042 1.00 0.00 C ATOM 1098 CD GLN A 69 8.996 -4.518 40.559 1.00 0.00 C ATOM 1099 OE1 GLN A 69 10.105 -4.169 40.156 1.00 0.00 O ATOM 1100 NE2 GLN A 69 7.985 -4.777 39.738 1.00 0.00 N ATOM 0 H GLN A 69 11.334 -6.580 41.165 1.00 0.00 H new ATOM 0 HA GLN A 69 11.702 -5.336 43.693 1.00 0.00 H new ATOM 0 HB2 GLN A 69 9.622 -4.153 43.912 1.00 0.00 H new ATOM 0 HB3 GLN A 69 10.453 -3.510 42.510 1.00 0.00 H new ATOM 0 HG2 GLN A 69 8.369 -5.687 42.238 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.915 -3.997 42.331 1.00 0.00 H new ATOM 0 HE21 GLN A 69 7.082 -5.064 40.116 1.00 0.00 H new ATOM 0 HE22 GLN A 69 8.112 -4.689 38.730 1.00 0.00 H new ATOM 1109 N LYS A 70 10.165 -7.083 44.670 1.00 0.00 N ATOM 1110 CA LYS A 70 9.505 -8.271 45.199 1.00 0.00 C ATOM 1111 C LYS A 70 9.312 -8.160 46.708 1.00 0.00 C ATOM 1112 O LYS A 70 10.225 -7.764 47.433 1.00 0.00 O ATOM 1113 CB LYS A 70 10.321 -9.523 44.870 1.00 0.00 C ATOM 1114 CG LYS A 70 9.810 -10.779 45.553 1.00 0.00 C ATOM 1115 CD LYS A 70 10.413 -12.032 44.940 1.00 0.00 C ATOM 1116 CE LYS A 70 9.481 -13.226 45.080 1.00 0.00 C ATOM 1117 NZ LYS A 70 9.696 -14.227 43.999 1.00 0.00 N ATOM 0 H LYS A 70 10.575 -6.477 45.381 1.00 0.00 H new ATOM 0 HA LYS A 70 8.525 -8.350 44.729 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.314 -9.678 43.791 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.358 -9.357 45.162 1.00 0.00 H new ATOM 0 HG2 LYS A 70 10.051 -10.740 46.615 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.724 -10.821 45.474 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.625 -11.856 43.885 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.364 -12.253 45.424 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.639 -13.699 46.049 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.446 -12.884 45.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.042 -15.025 44.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.520 -13.783 43.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.676 -14.573 44.036 1.00 0.00 H new ATOM 1131 N TYR A 71 8.119 -8.513 47.175 1.00 0.00 N ATOM 1132 CA TYR A 71 7.807 -8.452 48.598 1.00 0.00 C ATOM 1133 C TYR A 71 6.900 -9.609 49.007 1.00 0.00 C ATOM 1134 O TYR A 71 6.187 -10.176 48.179 1.00 0.00 O ATOM 1135 CB TYR A 71 7.136 -7.120 48.937 1.00 0.00 C ATOM 1136 CG TYR A 71 8.113 -5.981 49.124 1.00 0.00 C ATOM 1137 CD1 TYR A 71 8.634 -5.299 48.031 1.00 0.00 C ATOM 1138 CD2 TYR A 71 8.514 -5.585 50.395 1.00 0.00 C ATOM 1139 CE1 TYR A 71 9.527 -4.259 48.198 1.00 0.00 C ATOM 1140 CE2 TYR A 71 9.405 -4.545 50.571 1.00 0.00 C ATOM 1141 CZ TYR A 71 9.910 -3.885 49.469 1.00 0.00 C ATOM 1142 OH TYR A 71 10.798 -2.848 49.639 1.00 0.00 O ATOM 0 H TYR A 71 7.353 -8.844 46.589 1.00 0.00 H new ATOM 0 HA TYR A 71 8.742 -8.533 49.153 1.00 0.00 H new ATOM 0 HB2 TYR A 71 6.437 -6.862 48.141 1.00 0.00 H new ATOM 0 HB3 TYR A 71 6.551 -7.239 49.849 1.00 0.00 H new ATOM 0 HD1 TYR A 71 8.335 -5.587 47.034 1.00 0.00 H new ATOM 0 HD2 TYR A 71 8.122 -6.100 51.260 1.00 0.00 H new ATOM 0 HE1 TYR A 71 9.924 -3.741 47.337 1.00 0.00 H new ATOM 0 HE2 TYR A 71 9.705 -4.250 51.566 1.00 0.00 H new ATOM 0 HH TYR A 71 10.962 -2.711 50.595 1.00 0.00 H new ATOM 1152 N ALA A 72 6.934 -9.953 50.290 1.00 0.00 N ATOM 1153 CA ALA A 72 6.114 -11.040 50.811 1.00 0.00 C ATOM 1154 C ALA A 72 6.177 -11.094 52.333 1.00 0.00 C ATOM 1155 O ALA A 72 7.111 -10.574 52.944 1.00 0.00 O ATOM 1156 CB ALA A 72 6.558 -12.368 50.215 1.00 0.00 C ATOM 0 H ALA A 72 7.520 -9.495 50.988 1.00 0.00 H new ATOM 0 HA ALA A 72 5.080 -10.852 50.523 1.00 0.00 H new ATOM 0 HB1 ALA A 72 5.937 -13.171 50.613 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.455 -12.333 49.130 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.600 -12.553 50.474 1.00 0.00 H new ATOM 1162 N ASP A 73 5.178 -11.725 52.940 1.00 0.00 N ATOM 1163 CA ASP A 73 5.120 -11.847 54.392 1.00 0.00 C ATOM 1164 C ASP A 73 5.092 -13.313 54.814 1.00 0.00 C ATOM 1165 O ASP A 73 5.953 -13.770 55.564 1.00 0.00 O ATOM 1166 CB ASP A 73 3.888 -11.123 54.937 1.00 0.00 C ATOM 1167 CG ASP A 73 2.602 -11.607 54.298 1.00 0.00 C ATOM 1168 OD1 ASP A 73 2.435 -11.409 53.076 1.00 0.00 O ATOM 1169 OD2 ASP A 73 1.762 -12.185 55.019 1.00 0.00 O ATOM 0 H ASP A 73 4.397 -12.160 52.449 1.00 0.00 H new ATOM 0 HA ASP A 73 6.016 -11.386 54.807 1.00 0.00 H new ATOM 0 HB2 ASP A 73 3.832 -11.269 56.016 1.00 0.00 H new ATOM 0 HB3 ASP A 73 3.994 -10.052 54.766 1.00 0.00 H new ATOM 1174 N GLY A 74 4.095 -14.045 54.326 1.00 0.00 N ATOM 1175 CA GLY A 74 3.972 -15.451 54.664 1.00 0.00 C ATOM 1176 C GLY A 74 3.323 -15.668 56.016 1.00 0.00 C ATOM 1177 O GLY A 74 3.290 -14.762 56.849 1.00 0.00 O ATOM 0 H GLY A 74 3.370 -13.689 53.703 1.00 0.00 H new ATOM 0 HA2 GLY A 74 3.384 -15.956 53.897 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.961 -15.910 54.661 1.00 0.00 H new ATOM 1181 N ALA A 75 2.802 -16.871 56.235 1.00 0.00 N ATOM 1182 CA ALA A 75 2.151 -17.204 57.495 1.00 0.00 C ATOM 1183 C ALA A 75 2.352 -18.674 57.846 1.00 0.00 C ATOM 1184 O ALA A 75 2.955 -19.428 57.082 1.00 0.00 O ATOM 1185 CB ALA A 75 0.667 -16.874 57.425 1.00 0.00 C ATOM 0 H ALA A 75 2.818 -17.631 55.555 1.00 0.00 H new ATOM 0 HA ALA A 75 2.609 -16.604 58.282 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.193 -17.128 58.373 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.540 -15.809 57.229 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.204 -17.448 56.623 1.00 0.00 H new ATOM 1191 N PHE A 76 1.843 -19.076 59.006 1.00 0.00 N ATOM 1192 CA PHE A 76 1.969 -20.456 59.459 1.00 0.00 C ATOM 1193 C PHE A 76 0.595 -21.082 59.683 1.00 0.00 C ATOM 1194 O PHE A 76 0.239 -22.069 59.040 1.00 0.00 O ATOM 1195 CB PHE A 76 2.788 -20.519 60.750 1.00 0.00 C ATOM 1196 CG PHE A 76 3.292 -21.897 61.073 1.00 0.00 C ATOM 1197 CD1 PHE A 76 2.452 -22.840 61.642 1.00 0.00 C ATOM 1198 CD2 PHE A 76 4.606 -22.248 60.807 1.00 0.00 C ATOM 1199 CE1 PHE A 76 2.914 -24.108 61.941 1.00 0.00 C ATOM 1200 CE2 PHE A 76 5.073 -23.514 61.104 1.00 0.00 C ATOM 1201 CZ PHE A 76 4.226 -24.446 61.670 1.00 0.00 C ATOM 0 H PHE A 76 1.339 -18.465 59.649 1.00 0.00 H new ATOM 0 HA PHE A 76 2.484 -21.022 58.683 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.637 -19.841 60.666 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.175 -20.162 61.578 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.425 -22.582 61.854 1.00 0.00 H new ATOM 0 HD2 PHE A 76 5.273 -21.524 60.363 1.00 0.00 H new ATOM 0 HE1 PHE A 76 2.250 -24.834 62.386 1.00 0.00 H new ATOM 0 HE2 PHE A 76 6.100 -23.774 60.894 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.588 -25.437 61.900 1.00 0.00 H new ATOM 1211 N ALA A 77 -0.171 -20.500 60.601 1.00 0.00 N ATOM 1212 CA ALA A 77 -1.505 -20.999 60.909 1.00 0.00 C ATOM 1213 C ALA A 77 -2.220 -20.081 61.895 1.00 0.00 C ATOM 1214 O ALA A 77 -1.632 -19.130 62.411 1.00 0.00 O ATOM 1215 CB ALA A 77 -1.424 -22.413 61.466 1.00 0.00 C ATOM 0 H ALA A 77 0.110 -19.683 61.144 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.082 -21.017 59.984 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.428 -22.773 61.692 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.960 -23.068 60.729 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.826 -22.411 62.377 1.00 0.00 H new ATOM 1221 N ASP A 78 -3.491 -20.370 62.151 1.00 0.00 N ATOM 1222 CA ASP A 78 -4.286 -19.570 63.075 1.00 0.00 C ATOM 1223 C ASP A 78 -5.602 -20.268 63.403 1.00 0.00 C ATOM 1224 O ASP A 78 -6.464 -20.430 62.539 1.00 0.00 O ATOM 1225 CB ASP A 78 -4.562 -18.189 62.480 1.00 0.00 C ATOM 1226 CG ASP A 78 -3.382 -17.248 62.630 1.00 0.00 C ATOM 1227 OD1 ASP A 78 -3.155 -16.756 63.755 1.00 0.00 O ATOM 1228 OD2 ASP A 78 -2.686 -17.004 61.622 1.00 0.00 O ATOM 0 H ASP A 78 -3.993 -21.153 61.731 1.00 0.00 H new ATOM 0 HA ASP A 78 -3.717 -19.452 63.997 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -4.807 -18.294 61.423 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -5.434 -17.754 62.968 1.00 0.00 H new ATOM 1233 N PHE A 79 -5.751 -20.679 64.658 1.00 0.00 N ATOM 1234 CA PHE A 79 -6.961 -21.362 65.101 1.00 0.00 C ATOM 1235 C PHE A 79 -7.446 -20.799 66.434 1.00 0.00 C ATOM 1236 O PHE A 79 -6.709 -20.784 67.420 1.00 0.00 O ATOM 1237 CB PHE A 79 -6.706 -22.865 65.231 1.00 0.00 C ATOM 1238 CG PHE A 79 -5.960 -23.449 64.066 1.00 0.00 C ATOM 1239 CD1 PHE A 79 -4.576 -23.396 64.016 1.00 0.00 C ATOM 1240 CD2 PHE A 79 -6.642 -24.051 63.021 1.00 0.00 C ATOM 1241 CE1 PHE A 79 -3.887 -23.934 62.945 1.00 0.00 C ATOM 1242 CE2 PHE A 79 -5.958 -24.591 61.948 1.00 0.00 C ATOM 1243 CZ PHE A 79 -4.578 -24.531 61.910 1.00 0.00 C ATOM 0 H PHE A 79 -5.049 -20.551 65.386 1.00 0.00 H new ATOM 0 HA PHE A 79 -7.736 -21.196 64.353 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.141 -23.052 66.144 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -7.661 -23.380 65.336 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -4.030 -22.929 64.822 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -7.721 -24.099 63.045 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -2.808 -23.887 62.918 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -6.501 -25.059 61.141 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.041 -24.950 61.072 1.00 0.00 H new ATOM 1253 N LYS A 80 -8.691 -20.336 66.456 1.00 0.00 N ATOM 1254 CA LYS A 80 -9.277 -19.773 67.667 1.00 0.00 C ATOM 1255 C LYS A 80 -10.791 -19.958 67.675 1.00 0.00 C ATOM 1256 O LYS A 80 -11.423 -20.020 66.621 1.00 0.00 O ATOM 1257 CB LYS A 80 -8.934 -18.286 67.780 1.00 0.00 C ATOM 1258 CG LYS A 80 -7.655 -18.015 68.553 1.00 0.00 C ATOM 1259 CD LYS A 80 -7.928 -17.829 70.036 1.00 0.00 C ATOM 1260 CE LYS A 80 -7.885 -19.155 70.781 1.00 0.00 C ATOM 1261 NZ LYS A 80 -7.909 -18.963 72.257 1.00 0.00 N ATOM 0 H LYS A 80 -9.314 -20.339 65.649 1.00 0.00 H new ATOM 0 HA LYS A 80 -8.859 -20.302 68.523 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.839 -17.866 66.779 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.760 -17.767 68.267 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.961 -18.843 68.411 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -7.171 -17.122 68.156 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -7.190 -17.148 70.460 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.905 -17.365 70.172 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -8.735 -19.768 70.481 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -6.984 -19.700 70.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -7.878 -19.890 72.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -7.084 -18.400 72.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -8.781 -18.465 72.528 1.00 0.00 H new ATOM 1275 N GLN A 81 -11.366 -20.043 68.871 1.00 0.00 N ATOM 1276 CA GLN A 81 -12.806 -20.220 69.015 1.00 0.00 C ATOM 1277 C GLN A 81 -13.302 -19.607 70.320 1.00 0.00 C ATOM 1278 O GLN A 81 -12.538 -19.451 71.272 1.00 0.00 O ATOM 1279 CB GLN A 81 -13.166 -21.705 68.965 1.00 0.00 C ATOM 1280 CG GLN A 81 -14.664 -21.968 68.957 1.00 0.00 C ATOM 1281 CD GLN A 81 -15.006 -23.379 68.520 1.00 0.00 C ATOM 1282 OE1 GLN A 81 -14.696 -24.349 69.212 1.00 0.00 O ATOM 1283 NE2 GLN A 81 -15.649 -23.501 67.364 1.00 0.00 N ATOM 0 H GLN A 81 -10.857 -19.992 69.753 1.00 0.00 H new ATOM 0 HA GLN A 81 -13.294 -19.708 68.186 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -12.723 -22.148 68.073 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -12.722 -22.207 69.824 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -15.065 -21.794 69.955 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -15.150 -21.257 68.289 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -15.887 -22.670 66.822 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -15.905 -24.426 67.018 1.00 0.00 H new ATOM 1292 N GLU A 82 -14.585 -19.263 70.357 1.00 0.00 N ATOM 1293 CA GLU A 82 -15.182 -18.666 71.547 1.00 0.00 C ATOM 1294 C GLU A 82 -16.686 -18.487 71.369 1.00 0.00 C ATOM 1295 O GLU A 82 -17.219 -18.668 70.274 1.00 0.00 O ATOM 1296 CB GLU A 82 -14.528 -17.316 71.850 1.00 0.00 C ATOM 1297 CG GLU A 82 -14.912 -16.221 70.869 1.00 0.00 C ATOM 1298 CD GLU A 82 -14.021 -16.197 69.643 1.00 0.00 C ATOM 1299 OE1 GLU A 82 -14.194 -17.071 68.768 1.00 0.00 O ATOM 1300 OE2 GLU A 82 -13.150 -15.306 69.558 1.00 0.00 O ATOM 0 H GLU A 82 -15.231 -19.387 69.578 1.00 0.00 H new ATOM 0 HA GLU A 82 -15.011 -19.341 72.386 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -14.806 -17.005 72.857 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -13.445 -17.436 71.842 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -15.947 -16.363 70.558 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -14.860 -15.255 71.370 1.00 0.00 H new ATOM 1307 N SER A 83 -17.366 -18.130 72.454 1.00 0.00 N ATOM 1308 CA SER A 83 -18.810 -17.930 72.421 1.00 0.00 C ATOM 1309 C SER A 83 -19.151 -16.497 72.022 1.00 0.00 C ATOM 1310 O SER A 83 -18.295 -15.614 72.045 1.00 0.00 O ATOM 1311 CB SER A 83 -19.423 -18.251 73.785 1.00 0.00 C ATOM 1312 OG SER A 83 -19.230 -19.613 74.123 1.00 0.00 O ATOM 0 H SER A 83 -16.940 -17.973 73.367 1.00 0.00 H new ATOM 0 HA SER A 83 -19.228 -18.606 71.675 1.00 0.00 H new ATOM 0 HB2 SER A 83 -18.972 -17.616 74.548 1.00 0.00 H new ATOM 0 HB3 SER A 83 -20.489 -18.024 73.771 1.00 0.00 H new ATOM 0 HG SER A 83 -19.629 -19.792 75.000 1.00 0.00 H new ATOM 1318 N GLY A 84 -20.410 -16.275 71.656 1.00 0.00 N ATOM 1319 CA GLY A 84 -20.843 -14.948 71.257 1.00 0.00 C ATOM 1320 C GLY A 84 -22.342 -14.867 71.046 1.00 0.00 C ATOM 1321 O GLY A 84 -22.972 -15.801 70.551 1.00 0.00 O ATOM 0 H GLY A 84 -21.137 -16.990 71.629 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -20.547 -14.228 72.020 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -20.334 -14.664 70.336 1.00 0.00 H new ATOM 1325 N PRO A 85 -22.936 -13.727 71.429 1.00 0.00 N ATOM 1326 CA PRO A 85 -24.377 -13.500 71.290 1.00 0.00 C ATOM 1327 C PRO A 85 -24.803 -13.347 69.834 1.00 0.00 C ATOM 1328 O PRO A 85 -23.965 -13.328 68.932 1.00 0.00 O ATOM 1329 CB PRO A 85 -24.606 -12.194 72.054 1.00 0.00 C ATOM 1330 CG PRO A 85 -23.293 -11.492 72.007 1.00 0.00 C ATOM 1331 CD PRO A 85 -22.246 -12.571 72.027 1.00 0.00 C ATOM 0 HA PRO A 85 -24.960 -14.340 71.669 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -25.391 -11.597 71.590 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -24.916 -12.386 73.081 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -23.208 -10.883 71.107 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -23.178 -10.821 72.858 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -21.365 -12.287 71.451 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -21.909 -12.785 73.041 1.00 0.00 H new ATOM 1339 N SER A 86 -26.109 -13.239 69.612 1.00 0.00 N ATOM 1340 CA SER A 86 -26.645 -13.091 68.264 1.00 0.00 C ATOM 1341 C SER A 86 -27.989 -12.369 68.290 1.00 0.00 C ATOM 1342 O SER A 86 -28.960 -12.864 68.862 1.00 0.00 O ATOM 1343 CB SER A 86 -26.802 -14.461 67.601 1.00 0.00 C ATOM 1344 OG SER A 86 -27.958 -15.128 68.076 1.00 0.00 O ATOM 0 H SER A 86 -26.815 -13.251 70.348 1.00 0.00 H new ATOM 0 HA SER A 86 -25.942 -12.493 67.684 1.00 0.00 H new ATOM 0 HB2 SER A 86 -26.867 -14.340 66.520 1.00 0.00 H new ATOM 0 HB3 SER A 86 -25.920 -15.069 67.801 1.00 0.00 H new ATOM 0 HG SER A 86 -28.417 -14.561 68.730 1.00 0.00 H new ATOM 1350 N SER A 87 -28.037 -11.197 67.666 1.00 0.00 N ATOM 1351 CA SER A 87 -29.260 -10.404 67.621 1.00 0.00 C ATOM 1352 C SER A 87 -29.103 -9.218 66.674 1.00 0.00 C ATOM 1353 O SER A 87 -28.221 -8.379 66.852 1.00 0.00 O ATOM 1354 CB SER A 87 -29.624 -9.909 69.021 1.00 0.00 C ATOM 1355 OG SER A 87 -30.963 -9.447 69.067 1.00 0.00 O ATOM 0 H SER A 87 -27.243 -10.775 67.184 1.00 0.00 H new ATOM 0 HA SER A 87 -30.063 -11.040 67.249 1.00 0.00 H new ATOM 0 HB2 SER A 87 -29.489 -10.716 69.742 1.00 0.00 H new ATOM 0 HB3 SER A 87 -28.948 -9.105 69.313 1.00 0.00 H new ATOM 0 HG SER A 87 -31.171 -9.138 69.973 1.00 0.00 H new ATOM 1361 N GLY A 88 -29.968 -9.155 65.665 1.00 0.00 N ATOM 1362 CA GLY A 88 -29.909 -8.069 64.705 1.00 0.00 C ATOM 1363 C GLY A 88 -30.672 -8.379 63.432 1.00 0.00 C ATOM 1364 O GLY A 88 -31.334 -9.414 63.367 1.00 0.00 O ATOM 0 H GLY A 88 -30.708 -9.837 65.496 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -30.316 -7.165 65.158 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -28.868 -7.861 64.459 1.00 0.00 H new TER 1368 GLY A 88 HETATM 1369 ZN ZN A 201 2.336 -5.433 3.547 1.00 0.00 ZN