USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 630 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 GLN : amide:sc= 1.05 K(o=2.3,f=-6.4!) USER MOD Set 1.2: B 12 LYS NZ :NH3+ 173:sc= 1.21 (180deg=-0.00689) USER MOD Set 2.1: A 20 ASN : amide:sc= 1.22 K(o=1.1,f=-0.22) USER MOD Set 2.2: B 20 ASN :FLIP amide:sc= -0.132 F(o=-1.2,f=1.1) USER MOD Set 3.1: A 12 LYS NZ :NH3+ -161:sc= 0.605 (180deg=0) USER MOD Set 3.2: A 15 SER OG : rot 124:sc= 0.552 USER MOD Single : A 0 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN :FLIP amide:sc= -0.129 F(o=-2.1!,f=-0.13) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HE2:sc= 0.8 K(o=0.8,f=-2.9!) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 0 GLY N :NH3+ -156:sc= 1.54 (180deg=-0.197!) USER MOD Single : B 3 SER OG : rot 180:sc= 0.0808 USER MOD Single : B 4 SER OG : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot 180:sc= 0 USER MOD Single : B 15 SER OG : rot 180:sc= 0 USER MOD Single : B 17 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : B 19 GLN : amide:sc= -0.256 K(o=-0.26,f=-1) USER MOD Single : B 21 TYR OH : rot 180:sc= 0 USER MOD Single : B 22 HIS : no HE2:sc= 1.12 K(o=1.1,f=-5.4!) USER MOD Single : B 25 ASN : amide:sc= 2 K(o=2,f=-3.5!) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 -32.126 16.029 0.660 1.00 0.00 N ATOM 2 CA GLY A 0 -32.316 15.185 1.863 1.00 0.00 C ATOM 3 C GLY A 0 -31.982 13.728 1.606 1.00 0.00 C ATOM 4 O GLY A 0 -32.711 12.834 2.033 1.00 0.00 O ATOM 0 H1 GLY A 0 -32.367 17.015 0.886 1.00 0.00 H new ATOM 0 H2 GLY A 0 -31.134 15.977 0.352 1.00 0.00 H new ATOM 0 H3 GLY A 0 -32.744 15.688 -0.104 1.00 0.00 H new ATOM 0 HA2 GLY A 0 -31.688 15.562 2.671 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -33.350 15.264 2.199 1.00 0.00 H new ATOM 7 N ALA A 1 -30.877 13.481 0.906 1.00 0.00 N ATOM 8 CA ALA A 1 -30.448 12.122 0.608 1.00 0.00 C ATOM 9 C ALA A 1 -29.308 11.710 1.534 1.00 0.00 C ATOM 10 O ALA A 1 -28.613 12.564 2.090 1.00 0.00 O ATOM 11 CB ALA A 1 -30.024 12.009 -0.850 1.00 0.00 C ATOM 0 H ALA A 1 -30.264 14.207 0.535 1.00 0.00 H new ATOM 0 HA ALA A 1 -31.287 11.446 0.775 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -29.706 10.987 -1.058 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -30.865 12.266 -1.494 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -29.197 12.693 -1.043 1.00 0.00 H new ATOM 17 N GLY A 2 -29.110 10.409 1.688 1.00 0.00 N ATOM 18 CA GLY A 2 -28.069 9.915 2.569 1.00 0.00 C ATOM 19 C GLY A 2 -26.727 9.827 1.871 1.00 0.00 C ATOM 20 O GLY A 2 -26.106 8.765 1.829 1.00 0.00 O ATOM 0 H GLY A 2 -29.652 9.684 1.218 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -27.985 10.572 3.434 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -28.348 8.930 2.943 1.00 0.00 H new ATOM 24 N SER A 3 -26.283 10.948 1.320 1.00 0.00 N ATOM 25 CA SER A 3 -25.024 11.007 0.595 1.00 0.00 C ATOM 26 C SER A 3 -23.837 10.910 1.552 1.00 0.00 C ATOM 27 O SER A 3 -22.710 10.626 1.135 1.00 0.00 O ATOM 28 CB SER A 3 -24.953 12.305 -0.206 1.00 0.00 C ATOM 29 OG SER A 3 -26.123 12.476 -0.991 1.00 0.00 O ATOM 0 H SER A 3 -26.783 11.836 1.363 1.00 0.00 H new ATOM 0 HA SER A 3 -24.976 10.159 -0.088 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.838 13.151 0.472 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.075 12.292 -0.852 1.00 0.00 H new ATOM 0 HG SER A 3 -26.059 13.314 -1.495 1.00 0.00 H new ATOM 35 N SER A 4 -24.102 11.138 2.834 1.00 0.00 N ATOM 36 CA SER A 4 -23.072 11.087 3.866 1.00 0.00 C ATOM 37 C SER A 4 -22.363 9.733 3.875 1.00 0.00 C ATOM 38 O SER A 4 -21.143 9.667 4.026 1.00 0.00 O ATOM 39 CB SER A 4 -23.702 11.358 5.233 1.00 0.00 C ATOM 40 OG SER A 4 -24.491 12.538 5.200 1.00 0.00 O ATOM 0 H SER A 4 -25.033 11.362 3.186 1.00 0.00 H new ATOM 0 HA SER A 4 -22.328 11.853 3.647 1.00 0.00 H new ATOM 0 HB2 SER A 4 -24.320 10.510 5.528 1.00 0.00 H new ATOM 0 HB3 SER A 4 -22.920 11.459 5.985 1.00 0.00 H new ATOM 0 HG SER A 4 -24.886 12.692 6.083 1.00 0.00 H new ATOM 46 N SER A 5 -23.130 8.664 3.694 1.00 0.00 N ATOM 47 CA SER A 5 -22.585 7.317 3.711 1.00 0.00 C ATOM 48 C SER A 5 -21.592 7.117 2.567 1.00 0.00 C ATOM 49 O SER A 5 -20.513 6.554 2.758 1.00 0.00 O ATOM 50 CB SER A 5 -23.722 6.305 3.602 1.00 0.00 C ATOM 51 OG SER A 5 -24.776 6.631 4.496 1.00 0.00 O ATOM 0 H SER A 5 -24.136 8.708 3.533 1.00 0.00 H new ATOM 0 HA SER A 5 -22.054 7.167 4.651 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.100 6.285 2.580 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.348 5.306 3.823 1.00 0.00 H new ATOM 0 HG SER A 5 -25.495 5.971 4.409 1.00 0.00 H new ATOM 57 N LEU A 6 -21.957 7.607 1.385 1.00 0.00 N ATOM 58 CA LEU A 6 -21.129 7.438 0.198 1.00 0.00 C ATOM 59 C LEU A 6 -19.840 8.238 0.346 1.00 0.00 C ATOM 60 O LEU A 6 -18.751 7.731 0.079 1.00 0.00 O ATOM 61 CB LEU A 6 -21.913 7.880 -1.049 1.00 0.00 C ATOM 62 CG LEU A 6 -21.389 7.362 -2.397 1.00 0.00 C ATOM 63 CD1 LEU A 6 -22.465 7.497 -3.464 1.00 0.00 C ATOM 64 CD2 LEU A 6 -20.137 8.113 -2.830 1.00 0.00 C ATOM 0 H LEU A 6 -22.821 8.124 1.225 1.00 0.00 H new ATOM 0 HA LEU A 6 -20.866 6.386 0.084 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -22.948 7.556 -0.936 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -21.922 8.970 -1.080 1.00 0.00 H new ATOM 0 HG LEU A 6 -21.130 6.310 -2.273 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -22.083 7.127 -4.415 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -23.340 6.916 -3.174 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -22.744 8.545 -3.568 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -19.791 7.723 -3.787 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -20.366 9.174 -2.932 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -19.356 7.981 -2.081 1.00 0.00 H new ATOM 76 N GLU A 7 -19.973 9.484 0.794 1.00 0.00 N ATOM 77 CA GLU A 7 -18.822 10.364 0.976 1.00 0.00 C ATOM 78 C GLU A 7 -17.877 9.798 2.035 1.00 0.00 C ATOM 79 O GLU A 7 -16.659 9.857 1.878 1.00 0.00 O ATOM 80 CB GLU A 7 -19.284 11.774 1.369 1.00 0.00 C ATOM 81 CG GLU A 7 -18.149 12.765 1.595 1.00 0.00 C ATOM 82 CD GLU A 7 -17.263 12.953 0.376 1.00 0.00 C ATOM 83 OE1 GLU A 7 -17.766 12.840 -0.761 1.00 0.00 O ATOM 84 OE2 GLU A 7 -16.062 13.249 0.555 1.00 0.00 O ATOM 0 H GLU A 7 -20.868 9.907 1.038 1.00 0.00 H new ATOM 0 HA GLU A 7 -18.282 10.426 0.031 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -19.938 12.160 0.587 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -19.880 11.708 2.279 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -18.569 13.729 1.882 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -17.538 12.423 2.430 1.00 0.00 H new ATOM 91 N ALA A 8 -18.446 9.240 3.100 1.00 0.00 N ATOM 92 CA ALA A 8 -17.654 8.638 4.164 1.00 0.00 C ATOM 93 C ALA A 8 -16.797 7.495 3.625 1.00 0.00 C ATOM 94 O ALA A 8 -15.589 7.442 3.872 1.00 0.00 O ATOM 95 CB ALA A 8 -18.553 8.145 5.288 1.00 0.00 C ATOM 0 H ALA A 8 -19.454 9.193 3.248 1.00 0.00 H new ATOM 0 HA ALA A 8 -16.989 9.403 4.564 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -17.943 7.699 6.073 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -19.116 8.984 5.698 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -19.246 7.399 4.899 1.00 0.00 H new ATOM 101 N VAL A 9 -17.426 6.591 2.878 1.00 0.00 N ATOM 102 CA VAL A 9 -16.707 5.481 2.266 1.00 0.00 C ATOM 103 C VAL A 9 -15.653 6.006 1.295 1.00 0.00 C ATOM 104 O VAL A 9 -14.483 5.627 1.373 1.00 0.00 O ATOM 105 CB VAL A 9 -17.665 4.527 1.522 1.00 0.00 C ATOM 106 CG1 VAL A 9 -16.899 3.407 0.833 1.00 0.00 C ATOM 107 CG2 VAL A 9 -18.697 3.953 2.480 1.00 0.00 C ATOM 0 H VAL A 9 -18.427 6.606 2.684 1.00 0.00 H new ATOM 0 HA VAL A 9 -16.222 4.922 3.066 1.00 0.00 H new ATOM 0 HB VAL A 9 -18.183 5.103 0.755 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -17.600 2.751 0.317 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -16.202 3.833 0.111 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -16.345 2.834 1.577 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -19.364 3.283 1.938 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -18.191 3.400 3.271 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -19.277 4.765 2.919 1.00 0.00 H new ATOM 117 N ARG A 10 -16.074 6.902 0.404 1.00 0.00 N ATOM 118 CA ARG A 10 -15.178 7.503 -0.579 1.00 0.00 C ATOM 119 C ARG A 10 -13.969 8.138 0.102 1.00 0.00 C ATOM 120 O ARG A 10 -12.832 7.953 -0.330 1.00 0.00 O ATOM 121 CB ARG A 10 -15.915 8.565 -1.400 1.00 0.00 C ATOM 122 CG ARG A 10 -15.005 9.366 -2.319 1.00 0.00 C ATOM 123 CD ARG A 10 -15.730 10.555 -2.927 1.00 0.00 C ATOM 124 NE ARG A 10 -16.715 10.151 -3.926 1.00 0.00 N ATOM 125 CZ ARG A 10 -17.889 10.749 -4.092 1.00 0.00 C ATOM 126 NH1 ARG A 10 -18.283 11.703 -3.257 1.00 0.00 N ATOM 127 NH2 ARG A 10 -18.688 10.376 -5.082 1.00 0.00 N ATOM 0 H ARG A 10 -17.038 7.229 0.344 1.00 0.00 H new ATOM 0 HA ARG A 10 -14.834 6.710 -1.242 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -16.685 8.079 -1.999 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -16.424 9.249 -0.721 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -14.138 9.716 -1.759 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -14.632 8.721 -3.115 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -16.227 11.118 -2.137 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -15.003 11.225 -3.387 1.00 0.00 H new ATOM 0 HE ARG A 10 -16.488 9.363 -4.532 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -17.682 11.982 -2.481 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -19.186 12.157 -3.391 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -18.401 9.630 -5.716 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -19.590 10.835 -5.210 1.00 0.00 H new ATOM 141 N ARG A 11 -14.232 8.877 1.172 1.00 0.00 N ATOM 142 CA ARG A 11 -13.188 9.561 1.918 1.00 0.00 C ATOM 143 C ARG A 11 -12.153 8.571 2.441 1.00 0.00 C ATOM 144 O ARG A 11 -10.948 8.759 2.253 1.00 0.00 O ATOM 145 CB ARG A 11 -13.802 10.334 3.088 1.00 0.00 C ATOM 146 CG ARG A 11 -12.814 11.211 3.842 1.00 0.00 C ATOM 147 CD ARG A 11 -12.203 12.266 2.937 1.00 0.00 C ATOM 148 NE ARG A 11 -13.226 13.027 2.224 1.00 0.00 N ATOM 149 CZ ARG A 11 -13.113 14.312 1.902 1.00 0.00 C ATOM 150 NH1 ARG A 11 -12.044 15.004 2.270 1.00 0.00 N ATOM 151 NH2 ARG A 11 -14.079 14.907 1.219 1.00 0.00 N ATOM 0 H ARG A 11 -15.171 9.018 1.545 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.689 10.258 1.244 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -14.612 10.959 2.711 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -14.246 9.624 3.785 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -13.320 11.695 4.677 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -12.024 10.590 4.264 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.593 12.946 3.532 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.539 11.787 2.218 1.00 0.00 H new ATOM 0 HE ARG A 11 -14.082 12.541 1.956 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.302 14.551 2.803 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.963 15.990 2.020 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -14.907 14.380 0.941 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.995 15.893 0.970 1.00 0.00 H new ATOM 165 N LYS A 12 -12.629 7.508 3.078 1.00 0.00 N ATOM 166 CA LYS A 12 -11.739 6.545 3.706 1.00 0.00 C ATOM 167 C LYS A 12 -11.006 5.707 2.659 1.00 0.00 C ATOM 168 O LYS A 12 -9.806 5.469 2.788 1.00 0.00 O ATOM 169 CB LYS A 12 -12.513 5.646 4.676 1.00 0.00 C ATOM 170 CG LYS A 12 -11.632 4.811 5.606 1.00 0.00 C ATOM 171 CD LYS A 12 -10.767 5.674 6.526 1.00 0.00 C ATOM 172 CE LYS A 12 -9.450 6.065 5.868 1.00 0.00 C ATOM 173 NZ LYS A 12 -8.658 7.012 6.699 1.00 0.00 N ATOM 0 H LYS A 12 -13.622 7.293 3.172 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.991 7.099 4.273 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -13.171 6.269 5.282 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -13.150 4.975 4.100 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -12.263 4.160 6.211 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.989 4.165 5.008 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -11.316 6.574 6.801 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.564 5.130 7.449 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.860 5.168 5.683 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.653 6.519 4.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.955 7.493 6.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.294 7.718 7.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.171 6.488 7.454 1.00 0.00 H new ATOM 187 N ILE A 13 -11.708 5.277 1.612 1.00 0.00 N ATOM 188 CA ILE A 13 -11.072 4.468 0.577 1.00 0.00 C ATOM 189 C ILE A 13 -10.071 5.301 -0.218 1.00 0.00 C ATOM 190 O ILE A 13 -9.028 4.799 -0.627 1.00 0.00 O ATOM 191 CB ILE A 13 -12.082 3.800 -0.385 1.00 0.00 C ATOM 192 CG1 ILE A 13 -12.891 4.846 -1.157 1.00 0.00 C ATOM 193 CG2 ILE A 13 -13.005 2.871 0.389 1.00 0.00 C ATOM 194 CD1 ILE A 13 -13.844 4.254 -2.174 1.00 0.00 C ATOM 0 H ILE A 13 -12.698 5.471 1.460 1.00 0.00 H new ATOM 0 HA ILE A 13 -10.552 3.665 1.099 1.00 0.00 H new ATOM 0 HB ILE A 13 -11.522 3.214 -1.113 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -13.459 5.448 -0.448 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -12.203 5.520 -1.667 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -13.712 2.406 -0.298 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -12.414 2.098 0.880 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -13.551 3.443 1.140 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -14.381 5.057 -2.680 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -13.281 3.676 -2.907 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -14.557 3.603 -1.668 1.00 0.00 H new ATOM 206 N ARG A 14 -10.379 6.582 -0.414 1.00 0.00 N ATOM 207 CA ARG A 14 -9.437 7.497 -1.045 1.00 0.00 C ATOM 208 C ARG A 14 -8.194 7.630 -0.179 1.00 0.00 C ATOM 209 O ARG A 14 -7.074 7.512 -0.664 1.00 0.00 O ATOM 210 CB ARG A 14 -10.073 8.872 -1.264 1.00 0.00 C ATOM 211 CG ARG A 14 -9.078 9.930 -1.720 1.00 0.00 C ATOM 212 CD ARG A 14 -9.750 11.273 -1.951 1.00 0.00 C ATOM 213 NE ARG A 14 -8.771 12.326 -2.204 1.00 0.00 N ATOM 214 CZ ARG A 14 -8.310 12.646 -3.412 1.00 0.00 C ATOM 215 NH1 ARG A 14 -8.753 12.008 -4.491 1.00 0.00 N ATOM 216 NH2 ARG A 14 -7.403 13.605 -3.539 1.00 0.00 N ATOM 0 H ARG A 14 -11.268 7.005 -0.146 1.00 0.00 H new ATOM 0 HA ARG A 14 -9.160 7.092 -2.018 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -10.865 8.784 -2.007 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -10.542 9.200 -0.336 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -8.295 10.040 -0.970 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -8.595 9.602 -2.640 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -10.432 11.198 -2.798 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -10.350 11.535 -1.080 1.00 0.00 H new ATOM 0 HE ARG A 14 -8.417 12.851 -1.404 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -9.450 11.269 -4.396 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -8.396 12.258 -5.413 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -7.060 14.095 -2.713 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -7.048 13.852 -4.463 1.00 0.00 H new ATOM 230 N SER A 15 -8.414 7.866 1.110 1.00 0.00 N ATOM 231 CA SER A 15 -7.334 7.952 2.078 1.00 0.00 C ATOM 232 C SER A 15 -6.447 6.709 2.014 1.00 0.00 C ATOM 233 O SER A 15 -5.226 6.815 1.940 1.00 0.00 O ATOM 234 CB SER A 15 -7.923 8.126 3.482 1.00 0.00 C ATOM 235 OG SER A 15 -6.939 7.997 4.493 1.00 0.00 O ATOM 0 H SER A 15 -9.343 8.002 1.509 1.00 0.00 H new ATOM 0 HA SER A 15 -6.712 8.815 1.841 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.394 9.106 3.558 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.705 7.383 3.641 1.00 0.00 H new ATOM 0 HG SER A 15 -6.935 8.803 5.050 1.00 0.00 H new ATOM 241 N LEU A 16 -7.074 5.536 2.009 1.00 0.00 N ATOM 242 CA LEU A 16 -6.342 4.273 1.953 1.00 0.00 C ATOM 243 C LEU A 16 -5.546 4.152 0.656 1.00 0.00 C ATOM 244 O LEU A 16 -4.345 3.889 0.680 1.00 0.00 O ATOM 245 CB LEU A 16 -7.305 3.088 2.083 1.00 0.00 C ATOM 246 CG LEU A 16 -8.055 2.997 3.412 1.00 0.00 C ATOM 247 CD1 LEU A 16 -9.033 1.835 3.394 1.00 0.00 C ATOM 248 CD2 LEU A 16 -7.078 2.853 4.570 1.00 0.00 C ATOM 0 H LEU A 16 -8.088 5.433 2.043 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.642 4.259 2.789 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.035 3.145 1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.742 2.166 1.939 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.619 3.920 3.551 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.558 1.786 4.348 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.755 1.979 2.590 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.489 0.904 3.231 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.631 2.790 5.507 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.486 1.947 4.436 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.416 3.718 4.597 1.00 0.00 H new ATOM 260 N GLN A 17 -6.215 4.357 -0.474 1.00 0.00 N ATOM 261 CA GLN A 17 -5.582 4.175 -1.776 1.00 0.00 C ATOM 262 C GLN A 17 -4.496 5.216 -2.017 1.00 0.00 C ATOM 263 O GLN A 17 -3.421 4.890 -2.512 1.00 0.00 O ATOM 264 CB GLN A 17 -6.622 4.221 -2.898 1.00 0.00 C ATOM 265 CG GLN A 17 -7.688 3.145 -2.775 1.00 0.00 C ATOM 266 CD GLN A 17 -8.650 3.123 -3.946 1.00 0.00 C ATOM 267 OE1 GLN A 17 -8.444 2.397 -4.919 1.00 0.00 O ATOM 268 NE2 GLN A 17 -9.702 3.920 -3.864 1.00 0.00 N ATOM 0 H GLN A 17 -7.192 4.648 -0.515 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.112 3.192 -1.777 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -7.102 5.200 -2.899 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.116 4.113 -3.857 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.205 2.172 -2.691 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.250 3.302 -1.854 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.835 4.506 -3.040 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.380 3.949 -4.625 1.00 0.00 H new ATOM 277 N GLU A 18 -4.764 6.465 -1.652 1.00 0.00 N ATOM 278 CA GLU A 18 -3.787 7.531 -1.831 1.00 0.00 C ATOM 279 C GLU A 18 -2.597 7.318 -0.899 1.00 0.00 C ATOM 280 O GLU A 18 -1.455 7.629 -1.247 1.00 0.00 O ATOM 281 CB GLU A 18 -4.426 8.896 -1.573 1.00 0.00 C ATOM 282 CG GLU A 18 -3.536 10.065 -1.960 1.00 0.00 C ATOM 283 CD GLU A 18 -4.174 11.407 -1.671 1.00 0.00 C ATOM 284 OE1 GLU A 18 -4.912 11.920 -2.540 1.00 0.00 O ATOM 285 OE2 GLU A 18 -3.930 11.964 -0.583 1.00 0.00 O ATOM 0 H GLU A 18 -5.645 6.763 -1.233 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.434 7.506 -2.862 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.361 8.962 -2.130 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.678 8.976 -0.516 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.592 9.992 -1.419 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.301 10.001 -3.022 1.00 0.00 H new ATOM 292 N GLN A 19 -2.870 6.781 0.285 1.00 0.00 N ATOM 293 CA GLN A 19 -1.817 6.441 1.228 1.00 0.00 C ATOM 294 C GLN A 19 -0.954 5.321 0.663 1.00 0.00 C ATOM 295 O GLN A 19 0.272 5.393 0.707 1.00 0.00 O ATOM 296 CB GLN A 19 -2.411 6.021 2.575 1.00 0.00 C ATOM 297 CG GLN A 19 -1.370 5.747 3.649 1.00 0.00 C ATOM 298 CD GLN A 19 -0.500 6.954 3.946 1.00 0.00 C ATOM 299 OE1 GLN A 19 0.629 7.057 3.262 1.00 0.00 O flip ATOM 300 NE2 GLN A 19 -0.839 7.778 4.796 1.00 0.00 N flip ATOM 0 H GLN A 19 -3.813 6.573 0.613 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.197 7.323 1.387 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.082 6.805 2.925 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -3.015 5.125 2.431 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.872 5.433 4.564 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -0.737 4.918 3.332 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.718 7.659 5.299 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.241 8.579 4.997 1.00 0.00 H new ATOM 309 N ASN A 20 -1.604 4.293 0.122 1.00 0.00 N ATOM 310 CA ASN A 20 -0.899 3.183 -0.521 1.00 0.00 C ATOM 311 C ASN A 20 -0.102 3.676 -1.720 1.00 0.00 C ATOM 312 O ASN A 20 0.982 3.176 -2.006 1.00 0.00 O ATOM 313 CB ASN A 20 -1.882 2.095 -0.965 1.00 0.00 C ATOM 314 CG ASN A 20 -2.222 1.121 0.147 1.00 0.00 C ATOM 315 OD1 ASN A 20 -1.545 0.111 0.327 1.00 0.00 O ATOM 316 ND2 ASN A 20 -3.266 1.413 0.906 1.00 0.00 N ATOM 0 H ASN A 20 -2.620 4.204 0.115 1.00 0.00 H new ATOM 0 HA ASN A 20 -0.212 2.757 0.210 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.798 2.564 -1.324 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.455 1.546 -1.804 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -3.531 0.791 1.669 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -3.805 2.260 0.728 1.00 0.00 H new ATOM 323 N TYR A 21 -0.655 4.657 -2.417 1.00 0.00 N ATOM 324 CA TYR A 21 0.014 5.280 -3.549 1.00 0.00 C ATOM 325 C TYR A 21 1.315 5.940 -3.092 1.00 0.00 C ATOM 326 O TYR A 21 2.390 5.701 -3.666 1.00 0.00 O ATOM 327 CB TYR A 21 -0.921 6.309 -4.188 1.00 0.00 C ATOM 328 CG TYR A 21 -0.429 6.870 -5.502 1.00 0.00 C ATOM 329 CD1 TYR A 21 -0.584 6.155 -6.681 1.00 0.00 C ATOM 330 CD2 TYR A 21 0.173 8.121 -5.566 1.00 0.00 C ATOM 331 CE1 TYR A 21 -0.145 6.666 -7.886 1.00 0.00 C ATOM 332 CE2 TYR A 21 0.613 8.639 -6.767 1.00 0.00 C ATOM 333 CZ TYR A 21 0.449 7.909 -7.924 1.00 0.00 C ATOM 334 OH TYR A 21 0.892 8.420 -9.124 1.00 0.00 O ATOM 0 H TYR A 21 -1.577 5.043 -2.215 1.00 0.00 H new ATOM 0 HA TYR A 21 0.261 4.520 -4.290 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.895 5.847 -4.346 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.068 7.132 -3.488 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.055 5.184 -6.656 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.298 8.697 -4.661 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.266 6.095 -8.794 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.083 9.611 -6.800 1.00 0.00 H new ATOM 0 HH TYR A 21 1.285 9.306 -8.977 1.00 0.00 H new ATOM 344 N HIS A 22 1.211 6.752 -2.042 1.00 0.00 N ATOM 345 CA HIS A 22 2.371 7.435 -1.479 1.00 0.00 C ATOM 346 C HIS A 22 3.362 6.414 -0.949 1.00 0.00 C ATOM 347 O HIS A 22 4.542 6.487 -1.249 1.00 0.00 O ATOM 348 CB HIS A 22 1.964 8.377 -0.345 1.00 0.00 C ATOM 349 CG HIS A 22 3.039 9.351 0.043 1.00 0.00 C ATOM 350 ND1 HIS A 22 4.100 9.039 0.872 1.00 0.00 N ATOM 351 CD2 HIS A 22 3.214 10.646 -0.306 1.00 0.00 C ATOM 352 CE1 HIS A 22 4.873 10.097 1.011 1.00 0.00 C ATOM 353 NE2 HIS A 22 4.355 11.084 0.310 1.00 0.00 N ATOM 0 H HIS A 22 0.333 6.953 -1.564 1.00 0.00 H new ATOM 0 HA HIS A 22 2.831 8.025 -2.272 1.00 0.00 H new ATOM 0 HB2 HIS A 22 1.075 8.931 -0.646 1.00 0.00 H new ATOM 0 HB3 HIS A 22 1.690 7.784 0.528 1.00 0.00 H new ATOM 0 HD1 HIS A 22 4.260 8.131 1.308 1.00 0.00 H new ATOM 0 HD2 HIS A 22 2.572 11.227 -0.951 1.00 0.00 H new ATOM 0 HE1 HIS A 22 5.777 10.146 1.600 1.00 0.00 H new ATOM 362 N LEU A 23 2.862 5.455 -0.172 1.00 0.00 N ATOM 363 CA LEU A 23 3.714 4.431 0.430 1.00 0.00 C ATOM 364 C LEU A 23 4.436 3.614 -0.632 1.00 0.00 C ATOM 365 O LEU A 23 5.573 3.205 -0.432 1.00 0.00 O ATOM 366 CB LEU A 23 2.899 3.499 1.334 1.00 0.00 C ATOM 367 CG LEU A 23 2.346 4.140 2.605 1.00 0.00 C ATOM 368 CD1 LEU A 23 1.514 3.137 3.389 1.00 0.00 C ATOM 369 CD2 LEU A 23 3.478 4.681 3.465 1.00 0.00 C ATOM 0 H LEU A 23 1.872 5.366 0.055 1.00 0.00 H new ATOM 0 HA LEU A 23 4.459 4.948 1.035 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.066 3.098 0.757 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.527 2.654 1.617 1.00 0.00 H new ATOM 0 HG LEU A 23 1.703 4.972 2.319 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.128 3.611 4.291 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.681 2.795 2.774 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.135 2.285 3.664 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.065 5.134 4.366 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.146 3.866 3.742 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.035 5.431 2.904 1.00 0.00 H new ATOM 381 N GLU A 24 3.776 3.384 -1.762 1.00 0.00 N ATOM 382 CA GLU A 24 4.377 2.636 -2.859 1.00 0.00 C ATOM 383 C GLU A 24 5.576 3.389 -3.422 1.00 0.00 C ATOM 384 O GLU A 24 6.654 2.817 -3.614 1.00 0.00 O ATOM 385 CB GLU A 24 3.345 2.389 -3.959 1.00 0.00 C ATOM 386 CG GLU A 24 3.807 1.402 -5.015 1.00 0.00 C ATOM 387 CD GLU A 24 2.820 1.266 -6.151 1.00 0.00 C ATOM 388 OE1 GLU A 24 1.692 0.786 -5.916 1.00 0.00 O ATOM 389 OE2 GLU A 24 3.163 1.650 -7.288 1.00 0.00 O ATOM 0 H GLU A 24 2.825 3.705 -1.942 1.00 0.00 H new ATOM 0 HA GLU A 24 4.719 1.674 -2.476 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.425 2.020 -3.506 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.105 3.337 -4.440 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.770 1.723 -5.411 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.961 0.427 -4.553 1.00 0.00 H new ATOM 396 N ASN A 25 5.389 4.679 -3.672 1.00 0.00 N ATOM 397 CA ASN A 25 6.475 5.532 -4.154 1.00 0.00 C ATOM 398 C ASN A 25 7.525 5.714 -3.061 1.00 0.00 C ATOM 399 O ASN A 25 8.728 5.710 -3.319 1.00 0.00 O ATOM 400 CB ASN A 25 5.921 6.892 -4.583 1.00 0.00 C ATOM 401 CG ASN A 25 6.994 7.834 -5.092 1.00 0.00 C ATOM 402 OD1 ASN A 25 7.565 8.621 -4.334 1.00 0.00 O ATOM 403 ND2 ASN A 25 7.275 7.755 -6.381 1.00 0.00 N ATOM 0 H ASN A 25 4.498 5.160 -3.550 1.00 0.00 H new ATOM 0 HA ASN A 25 6.944 5.054 -5.014 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.175 6.744 -5.364 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.411 7.354 -3.737 1.00 0.00 H new ATOM 0 HD21 ASN A 25 7.990 8.360 -6.785 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.777 7.089 -6.972 1.00 0.00 H new ATOM 410 N GLU A 26 7.041 5.845 -1.837 1.00 0.00 N ATOM 411 CA GLU A 26 7.883 6.040 -0.668 1.00 0.00 C ATOM 412 C GLU A 26 8.802 4.837 -0.455 1.00 0.00 C ATOM 413 O GLU A 26 10.022 4.984 -0.346 1.00 0.00 O ATOM 414 CB GLU A 26 6.983 6.261 0.549 1.00 0.00 C ATOM 415 CG GLU A 26 7.684 6.833 1.763 1.00 0.00 C ATOM 416 CD GLU A 26 6.703 7.328 2.807 1.00 0.00 C ATOM 417 OE1 GLU A 26 5.481 7.356 2.525 1.00 0.00 O ATOM 418 OE2 GLU A 26 7.149 7.714 3.909 1.00 0.00 O ATOM 0 H GLU A 26 6.044 5.819 -1.625 1.00 0.00 H new ATOM 0 HA GLU A 26 8.519 6.913 -0.815 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.172 6.932 0.266 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.528 5.309 0.824 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.327 6.070 2.203 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.330 7.655 1.454 1.00 0.00 H new ATOM 425 N VAL A 27 8.218 3.642 -0.426 1.00 0.00 N ATOM 426 CA VAL A 27 8.993 2.426 -0.237 1.00 0.00 C ATOM 427 C VAL A 27 9.888 2.171 -1.449 1.00 0.00 C ATOM 428 O VAL A 27 10.957 1.582 -1.320 1.00 0.00 O ATOM 429 CB VAL A 27 8.097 1.191 0.039 1.00 0.00 C ATOM 430 CG1 VAL A 27 7.333 0.763 -1.202 1.00 0.00 C ATOM 431 CG2 VAL A 27 8.927 0.041 0.587 1.00 0.00 C ATOM 0 H VAL A 27 7.214 3.493 -0.531 1.00 0.00 H new ATOM 0 HA VAL A 27 9.615 2.577 0.645 1.00 0.00 H new ATOM 0 HB VAL A 27 7.362 1.477 0.791 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.717 -0.105 -0.968 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.695 1.581 -1.537 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.038 0.505 -1.992 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.281 -0.817 0.775 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.693 -0.233 -0.139 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.403 0.347 1.518 1.00 0.00 H new ATOM 441 N ALA A 28 9.457 2.636 -2.621 1.00 0.00 N ATOM 442 CA ALA A 28 10.273 2.537 -3.826 1.00 0.00 C ATOM 443 C ALA A 28 11.583 3.287 -3.636 1.00 0.00 C ATOM 444 O ALA A 28 12.656 2.789 -3.976 1.00 0.00 O ATOM 445 CB ALA A 28 9.522 3.081 -5.029 1.00 0.00 C ATOM 0 H ALA A 28 8.551 3.083 -2.760 1.00 0.00 H new ATOM 0 HA ALA A 28 10.494 1.485 -4.008 1.00 0.00 H new ATOM 0 HB1 ALA A 28 10.148 2.998 -5.917 1.00 0.00 H new ATOM 0 HB2 ALA A 28 8.606 2.508 -5.176 1.00 0.00 H new ATOM 0 HB3 ALA A 28 9.272 4.128 -4.859 1.00 0.00 H new ATOM 451 N ARG A 29 11.486 4.483 -3.072 1.00 0.00 N ATOM 452 CA ARG A 29 12.662 5.281 -2.770 1.00 0.00 C ATOM 453 C ARG A 29 13.537 4.576 -1.737 1.00 0.00 C ATOM 454 O ARG A 29 14.757 4.531 -1.876 1.00 0.00 O ATOM 455 CB ARG A 29 12.254 6.665 -2.257 1.00 0.00 C ATOM 456 CG ARG A 29 11.589 7.536 -3.313 1.00 0.00 C ATOM 457 CD ARG A 29 12.563 7.912 -4.418 1.00 0.00 C ATOM 458 NE ARG A 29 13.673 8.719 -3.915 1.00 0.00 N ATOM 459 CZ ARG A 29 14.896 8.723 -4.449 1.00 0.00 C ATOM 460 NH1 ARG A 29 15.161 8.008 -5.535 1.00 0.00 N ATOM 461 NH2 ARG A 29 15.854 9.466 -3.911 1.00 0.00 N ATOM 0 H ARG A 29 10.602 4.921 -2.814 1.00 0.00 H new ATOM 0 HA ARG A 29 13.236 5.404 -3.688 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.572 6.544 -1.416 1.00 0.00 H new ATOM 0 HB3 ARG A 29 13.138 7.178 -1.879 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.738 7.005 -3.741 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.199 8.441 -2.847 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.954 7.006 -4.881 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.035 8.465 -5.195 1.00 0.00 H new ATOM 0 HE ARG A 29 13.502 9.316 -3.106 1.00 0.00 H new ATOM 0 HH11 ARG A 29 14.427 7.449 -5.969 1.00 0.00 H new ATOM 0 HH12 ARG A 29 16.099 8.018 -5.936 1.00 0.00 H new ATOM 0 HH21 ARG A 29 15.656 10.035 -3.088 1.00 0.00 H new ATOM 0 HH22 ARG A 29 16.788 9.468 -4.320 1.00 0.00 H new ATOM 475 N LEU A 30 12.906 4.006 -0.716 1.00 0.00 N ATOM 476 CA LEU A 30 13.634 3.315 0.344 1.00 0.00 C ATOM 477 C LEU A 30 14.319 2.046 -0.169 1.00 0.00 C ATOM 478 O LEU A 30 15.496 1.816 0.111 1.00 0.00 O ATOM 479 CB LEU A 30 12.700 2.973 1.509 1.00 0.00 C ATOM 480 CG LEU A 30 12.581 4.048 2.599 1.00 0.00 C ATOM 481 CD1 LEU A 30 12.053 5.359 2.033 1.00 0.00 C ATOM 482 CD2 LEU A 30 11.682 3.560 3.727 1.00 0.00 C ATOM 0 H LEU A 30 11.893 4.008 -0.599 1.00 0.00 H new ATOM 0 HA LEU A 30 14.410 3.995 0.697 1.00 0.00 H new ATOM 0 HB2 LEU A 30 11.706 2.775 1.109 1.00 0.00 H new ATOM 0 HB3 LEU A 30 13.047 2.049 1.971 1.00 0.00 H new ATOM 0 HG LEU A 30 13.580 4.233 2.995 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.981 6.097 2.832 1.00 0.00 H new ATOM 0 HD12 LEU A 30 12.733 5.723 1.262 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.066 5.197 1.599 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.607 4.332 4.492 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.689 3.342 3.333 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.105 2.656 4.164 1.00 0.00 H new ATOM 494 N LYS A 31 13.594 1.229 -0.930 1.00 0.00 N ATOM 495 CA LYS A 31 14.145 -0.033 -1.424 1.00 0.00 C ATOM 496 C LYS A 31 15.243 0.213 -2.456 1.00 0.00 C ATOM 497 O LYS A 31 16.165 -0.590 -2.591 1.00 0.00 O ATOM 498 CB LYS A 31 13.052 -0.936 -2.013 1.00 0.00 C ATOM 499 CG LYS A 31 12.374 -0.385 -3.257 1.00 0.00 C ATOM 500 CD LYS A 31 11.365 -1.375 -3.816 1.00 0.00 C ATOM 501 CE LYS A 31 10.631 -0.812 -5.022 1.00 0.00 C ATOM 502 NZ LYS A 31 9.714 -1.809 -5.629 1.00 0.00 N ATOM 0 H LYS A 31 12.633 1.414 -1.216 1.00 0.00 H new ATOM 0 HA LYS A 31 14.582 -0.549 -0.569 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.491 -1.904 -2.254 1.00 0.00 H new ATOM 0 HB3 LYS A 31 12.294 -1.110 -1.250 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.873 0.553 -3.016 1.00 0.00 H new ATOM 0 HG3 LYS A 31 13.125 -0.160 -4.014 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.877 -2.295 -4.099 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.644 -1.636 -3.041 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.062 0.068 -4.722 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.356 -0.485 -5.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.233 -1.385 -6.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.259 -2.639 -5.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.006 -2.103 -4.926 1.00 0.00 H new ATOM 516 N LYS A 32 15.147 1.323 -3.180 1.00 0.00 N ATOM 517 CA LYS A 32 16.189 1.690 -4.128 1.00 0.00 C ATOM 518 C LYS A 32 17.372 2.299 -3.387 1.00 0.00 C ATOM 519 O LYS A 32 18.511 2.237 -3.848 1.00 0.00 O ATOM 520 CB LYS A 32 15.657 2.676 -5.168 1.00 0.00 C ATOM 521 CG LYS A 32 16.647 2.970 -6.285 1.00 0.00 C ATOM 522 CD LYS A 32 16.143 4.060 -7.212 1.00 0.00 C ATOM 523 CE LYS A 32 17.158 4.358 -8.302 1.00 0.00 C ATOM 524 NZ LYS A 32 16.717 5.466 -9.184 1.00 0.00 N ATOM 0 H LYS A 32 14.366 1.977 -3.129 1.00 0.00 H new ATOM 0 HA LYS A 32 16.515 0.789 -4.648 1.00 0.00 H new ATOM 0 HB2 LYS A 32 14.740 2.276 -5.601 1.00 0.00 H new ATOM 0 HB3 LYS A 32 15.394 3.610 -4.671 1.00 0.00 H new ATOM 0 HG2 LYS A 32 17.602 3.272 -5.854 1.00 0.00 H new ATOM 0 HG3 LYS A 32 16.829 2.061 -6.858 1.00 0.00 H new ATOM 0 HD2 LYS A 32 15.200 3.752 -7.663 1.00 0.00 H new ATOM 0 HD3 LYS A 32 15.942 4.965 -6.639 1.00 0.00 H new ATOM 0 HE2 LYS A 32 18.114 4.616 -7.846 1.00 0.00 H new ATOM 0 HE3 LYS A 32 17.321 3.462 -8.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 17.438 5.637 -9.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 15.818 5.210 -9.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 16.586 6.329 -8.618 1.00 0.00 H new ATOM 538 N LEU A 33 17.087 2.886 -2.233 1.00 0.00 N ATOM 539 CA LEU A 33 18.116 3.487 -1.397 1.00 0.00 C ATOM 540 C LEU A 33 18.979 2.411 -0.745 1.00 0.00 C ATOM 541 O LEU A 33 20.206 2.462 -0.815 1.00 0.00 O ATOM 542 CB LEU A 33 17.477 4.361 -0.314 1.00 0.00 C ATOM 543 CG LEU A 33 18.453 5.150 0.553 1.00 0.00 C ATOM 544 CD1 LEU A 33 19.174 6.187 -0.288 1.00 0.00 C ATOM 545 CD2 LEU A 33 17.720 5.808 1.712 1.00 0.00 C ATOM 0 H LEU A 33 16.143 2.959 -1.852 1.00 0.00 H new ATOM 0 HA LEU A 33 18.749 4.107 -2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 33 16.795 5.063 -0.794 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.875 3.724 0.334 1.00 0.00 H new ATOM 0 HG LEU A 33 19.193 4.465 0.966 1.00 0.00 H new ATOM 0 HD11 LEU A 33 19.869 6.745 0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 33 19.725 5.689 -1.086 1.00 0.00 H new ATOM 0 HD13 LEU A 33 18.447 6.872 -0.723 1.00 0.00 H new ATOM 0 HD21 LEU A 33 18.430 6.367 2.321 1.00 0.00 H new ATOM 0 HD22 LEU A 33 16.961 6.487 1.324 1.00 0.00 H new ATOM 0 HD23 LEU A 33 17.243 5.042 2.323 1.00 0.00 H new ATOM 557 N VAL A 34 18.328 1.440 -0.113 1.00 0.00 N ATOM 558 CA VAL A 34 19.036 0.362 0.567 1.00 0.00 C ATOM 559 C VAL A 34 19.599 -0.646 -0.434 1.00 0.00 C ATOM 560 O VAL A 34 20.675 -1.212 -0.223 1.00 0.00 O ATOM 561 CB VAL A 34 18.121 -0.359 1.593 1.00 0.00 C ATOM 562 CG1 VAL A 34 16.938 -1.030 0.911 1.00 0.00 C ATOM 563 CG2 VAL A 34 18.914 -1.365 2.410 1.00 0.00 C ATOM 0 H VAL A 34 17.311 1.378 -0.058 1.00 0.00 H new ATOM 0 HA VAL A 34 19.867 0.814 1.108 1.00 0.00 H new ATOM 0 HB VAL A 34 17.725 0.398 2.270 1.00 0.00 H new ATOM 0 HG11 VAL A 34 16.319 -1.525 1.660 1.00 0.00 H new ATOM 0 HG12 VAL A 34 16.345 -0.279 0.389 1.00 0.00 H new ATOM 0 HG13 VAL A 34 17.301 -1.768 0.195 1.00 0.00 H new ATOM 0 HG21 VAL A 34 18.252 -1.858 3.122 1.00 0.00 H new ATOM 0 HG22 VAL A 34 19.351 -2.110 1.745 1.00 0.00 H new ATOM 0 HG23 VAL A 34 19.709 -0.850 2.950 1.00 0.00 H new ATOM 573 N GLY A 35 18.882 -0.849 -1.533 1.00 0.00 N ATOM 574 CA GLY A 35 19.317 -1.797 -2.534 1.00 0.00 C ATOM 575 C GLY A 35 20.437 -1.249 -3.386 1.00 0.00 C ATOM 576 O GLY A 35 21.595 -1.637 -3.215 1.00 0.00 O ATOM 0 H GLY A 35 18.006 -0.372 -1.746 1.00 0.00 H new ATOM 0 HA2 GLY A 35 19.649 -2.713 -2.045 1.00 0.00 H new ATOM 0 HA3 GLY A 35 18.474 -2.063 -3.172 1.00 0.00 H new ATOM 580 N GLU A 36 20.089 -0.340 -4.293 1.00 0.00 N ATOM 581 CA GLU A 36 21.059 0.286 -5.189 1.00 0.00 C ATOM 582 C GLU A 36 21.822 -0.792 -5.978 1.00 0.00 C ATOM 583 O GLU A 36 21.275 -1.860 -6.267 1.00 0.00 O ATOM 584 CB GLU A 36 22.008 1.189 -4.377 1.00 0.00 C ATOM 585 CG GLU A 36 22.849 2.145 -5.217 1.00 0.00 C ATOM 586 CD GLU A 36 22.021 2.946 -6.204 1.00 0.00 C ATOM 587 OE1 GLU A 36 21.797 2.455 -7.330 1.00 0.00 O ATOM 588 OE2 GLU A 36 21.606 4.071 -5.864 1.00 0.00 O ATOM 0 H GLU A 36 19.131 -0.017 -4.428 1.00 0.00 H new ATOM 0 HA GLU A 36 20.541 0.914 -5.914 1.00 0.00 H new ATOM 0 HB2 GLU A 36 21.417 1.771 -3.670 1.00 0.00 H new ATOM 0 HB3 GLU A 36 22.676 0.558 -3.791 1.00 0.00 H new ATOM 0 HG2 GLU A 36 23.381 2.830 -4.556 1.00 0.00 H new ATOM 0 HG3 GLU A 36 23.603 1.576 -5.760 1.00 0.00 H new ATOM 595 N ARG A 37 23.064 -0.509 -6.342 1.00 0.00 N ATOM 596 CA ARG A 37 23.867 -1.432 -7.119 1.00 0.00 C ATOM 597 C ARG A 37 25.332 -1.057 -6.979 1.00 0.00 C ATOM 598 O ARG A 37 26.111 -1.877 -6.453 1.00 0.00 O ATOM 599 CB ARG A 37 23.439 -1.391 -8.584 1.00 0.00 C ATOM 600 CG ARG A 37 23.850 -2.613 -9.387 1.00 0.00 C ATOM 601 CD ARG A 37 23.044 -2.710 -10.668 1.00 0.00 C ATOM 602 NE ARG A 37 21.611 -2.589 -10.397 1.00 0.00 N ATOM 603 CZ ARG A 37 20.649 -3.127 -11.144 1.00 0.00 C ATOM 604 NH1 ARG A 37 20.948 -3.850 -12.217 1.00 0.00 N ATOM 605 NH2 ARG A 37 19.379 -2.946 -10.805 1.00 0.00 N ATOM 606 OXT ARG A 37 25.680 0.089 -7.331 1.00 0.00 O ATOM 0 H ARG A 37 23.538 0.363 -6.107 1.00 0.00 H new ATOM 0 HA ARG A 37 23.722 -2.447 -6.750 1.00 0.00 H new ATOM 0 HB2 ARG A 37 22.355 -1.287 -8.631 1.00 0.00 H new ATOM 0 HB3 ARG A 37 23.865 -0.503 -9.051 1.00 0.00 H new ATOM 0 HG2 ARG A 37 24.913 -2.558 -9.624 1.00 0.00 H new ATOM 0 HG3 ARG A 37 23.703 -3.513 -8.790 1.00 0.00 H new ATOM 0 HD2 ARG A 37 23.355 -1.925 -11.358 1.00 0.00 H new ATOM 0 HD3 ARG A 37 23.246 -3.663 -11.158 1.00 0.00 H new ATOM 0 HE ARG A 37 21.329 -2.054 -9.576 1.00 0.00 H new ATOM 0 HH11 ARG A 37 21.923 -3.998 -12.477 1.00 0.00 H new ATOM 0 HH12 ARG A 37 20.202 -4.257 -12.782 1.00 0.00 H new ATOM 0 HH21 ARG A 37 19.145 -2.398 -9.977 1.00 0.00 H new ATOM 0 HH22 ARG A 37 18.636 -3.355 -11.372 1.00 0.00 H new TER 620 ARG A 37 ATOM 621 N GLY B 0 -15.643 -13.148 -10.056 1.00 0.00 N ATOM 622 CA GLY B 0 -15.877 -14.567 -9.703 1.00 0.00 C ATOM 623 C GLY B 0 -17.187 -15.070 -10.269 1.00 0.00 C ATOM 624 O GLY B 0 -17.861 -14.346 -11.001 1.00 0.00 O ATOM 0 H1 GLY B 0 -14.623 -12.947 -10.028 1.00 0.00 H new ATOM 0 H2 GLY B 0 -16.006 -12.964 -11.013 1.00 0.00 H new ATOM 0 H3 GLY B 0 -16.136 -12.535 -9.375 1.00 0.00 H new ATOM 0 HA2 GLY B 0 -15.057 -15.177 -10.082 1.00 0.00 H new ATOM 0 HA3 GLY B 0 -15.882 -14.677 -8.619 1.00 0.00 H new ATOM 627 N ALA B 1 -17.545 -16.304 -9.937 1.00 0.00 N ATOM 628 CA ALA B 1 -18.792 -16.897 -10.402 1.00 0.00 C ATOM 629 C ALA B 1 -19.991 -16.180 -9.794 1.00 0.00 C ATOM 630 O ALA B 1 -20.396 -16.465 -8.666 1.00 0.00 O ATOM 631 CB ALA B 1 -18.835 -18.379 -10.064 1.00 0.00 C ATOM 0 H ALA B 1 -16.985 -16.917 -9.344 1.00 0.00 H new ATOM 0 HA ALA B 1 -18.839 -16.785 -11.485 1.00 0.00 H new ATOM 0 HB1 ALA B 1 -19.773 -18.806 -10.418 1.00 0.00 H new ATOM 0 HB2 ALA B 1 -18.000 -18.887 -10.547 1.00 0.00 H new ATOM 0 HB3 ALA B 1 -18.763 -18.508 -8.984 1.00 0.00 H new ATOM 637 N GLY B 2 -20.534 -15.221 -10.534 1.00 0.00 N ATOM 638 CA GLY B 2 -21.661 -14.444 -10.056 1.00 0.00 C ATOM 639 C GLY B 2 -21.225 -13.249 -9.232 1.00 0.00 C ATOM 640 O GLY B 2 -21.895 -12.217 -9.212 1.00 0.00 O ATOM 0 H GLY B 2 -20.209 -14.966 -11.467 1.00 0.00 H new ATOM 0 HA2 GLY B 2 -22.250 -14.101 -10.906 1.00 0.00 H new ATOM 0 HA3 GLY B 2 -22.310 -15.081 -9.454 1.00 0.00 H new ATOM 644 N SER B 3 -20.097 -13.386 -8.556 1.00 0.00 N ATOM 645 CA SER B 3 -19.578 -12.324 -7.716 1.00 0.00 C ATOM 646 C SER B 3 -18.861 -11.263 -8.540 1.00 0.00 C ATOM 647 O SER B 3 -17.688 -11.411 -8.898 1.00 0.00 O ATOM 648 CB SER B 3 -18.643 -12.907 -6.662 1.00 0.00 C ATOM 649 OG SER B 3 -17.882 -13.979 -7.193 1.00 0.00 O ATOM 0 H SER B 3 -19.521 -14.228 -8.574 1.00 0.00 H new ATOM 0 HA SER B 3 -20.419 -11.840 -7.219 1.00 0.00 H new ATOM 0 HB2 SER B 3 -17.974 -12.129 -6.294 1.00 0.00 H new ATOM 0 HB3 SER B 3 -19.224 -13.257 -5.809 1.00 0.00 H new ATOM 0 HG SER B 3 -17.289 -14.335 -6.499 1.00 0.00 H new ATOM 655 N SER B 4 -19.588 -10.209 -8.873 1.00 0.00 N ATOM 656 CA SER B 4 -19.031 -9.094 -9.602 1.00 0.00 C ATOM 657 C SER B 4 -18.416 -8.103 -8.626 1.00 0.00 C ATOM 658 O SER B 4 -17.200 -8.069 -8.454 1.00 0.00 O ATOM 659 CB SER B 4 -20.112 -8.421 -10.454 1.00 0.00 C ATOM 660 OG SER B 4 -19.575 -7.372 -11.239 1.00 0.00 O ATOM 0 H SER B 4 -20.577 -10.107 -8.644 1.00 0.00 H new ATOM 0 HA SER B 4 -18.251 -9.456 -10.272 1.00 0.00 H new ATOM 0 HB2 SER B 4 -20.578 -9.162 -11.104 1.00 0.00 H new ATOM 0 HB3 SER B 4 -20.895 -8.028 -9.806 1.00 0.00 H new ATOM 0 HG SER B 4 -20.289 -6.964 -11.772 1.00 0.00 H new ATOM 666 N SER B 5 -19.271 -7.348 -7.942 1.00 0.00 N ATOM 667 CA SER B 5 -18.830 -6.330 -7.021 1.00 0.00 C ATOM 668 C SER B 5 -18.249 -6.973 -5.782 1.00 0.00 C ATOM 669 O SER B 5 -17.270 -6.491 -5.250 1.00 0.00 O ATOM 670 CB SER B 5 -19.997 -5.418 -6.643 1.00 0.00 C ATOM 671 OG SER B 5 -20.665 -4.947 -7.801 1.00 0.00 O ATOM 0 H SER B 5 -20.285 -7.432 -8.017 1.00 0.00 H new ATOM 0 HA SER B 5 -18.059 -5.728 -7.503 1.00 0.00 H new ATOM 0 HB2 SER B 5 -20.698 -5.961 -6.009 1.00 0.00 H new ATOM 0 HB3 SER B 5 -19.630 -4.573 -6.061 1.00 0.00 H new ATOM 0 HG SER B 5 -21.409 -4.367 -7.536 1.00 0.00 H new ATOM 677 N LEU B 6 -18.846 -8.087 -5.363 1.00 0.00 N ATOM 678 CA LEU B 6 -18.438 -8.794 -4.163 1.00 0.00 C ATOM 679 C LEU B 6 -16.949 -9.072 -4.213 1.00 0.00 C ATOM 680 O LEU B 6 -16.215 -8.635 -3.343 1.00 0.00 O ATOM 681 CB LEU B 6 -19.237 -10.101 -4.030 1.00 0.00 C ATOM 682 CG LEU B 6 -19.152 -10.820 -2.674 1.00 0.00 C ATOM 683 CD1 LEU B 6 -20.325 -11.772 -2.518 1.00 0.00 C ATOM 684 CD2 LEU B 6 -17.846 -11.592 -2.533 1.00 0.00 C ATOM 0 H LEU B 6 -19.629 -8.522 -5.852 1.00 0.00 H new ATOM 0 HA LEU B 6 -18.643 -8.176 -3.289 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -20.285 -9.883 -4.236 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -18.897 -10.789 -4.804 1.00 0.00 H new ATOM 0 HG LEU B 6 -19.186 -10.062 -1.892 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -20.258 -12.278 -1.555 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -21.258 -11.211 -2.569 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -20.302 -12.512 -3.318 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -17.819 -12.088 -1.563 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -17.777 -12.339 -3.324 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -17.005 -10.902 -2.611 1.00 0.00 H new ATOM 696 N GLU B 7 -16.516 -9.763 -5.260 1.00 0.00 N ATOM 697 CA GLU B 7 -15.131 -10.141 -5.412 1.00 0.00 C ATOM 698 C GLU B 7 -14.258 -8.909 -5.528 1.00 0.00 C ATOM 699 O GLU B 7 -13.342 -8.739 -4.744 1.00 0.00 O ATOM 700 CB GLU B 7 -14.953 -11.042 -6.641 1.00 0.00 C ATOM 701 CG GLU B 7 -13.506 -11.418 -6.922 1.00 0.00 C ATOM 702 CD GLU B 7 -13.377 -12.445 -8.026 1.00 0.00 C ATOM 703 OE1 GLU B 7 -13.359 -12.052 -9.213 1.00 0.00 O ATOM 704 OE2 GLU B 7 -13.296 -13.650 -7.714 1.00 0.00 O ATOM 0 H GLU B 7 -17.119 -10.073 -6.022 1.00 0.00 H new ATOM 0 HA GLU B 7 -14.825 -10.700 -4.528 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -15.534 -11.953 -6.499 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -15.363 -10.535 -7.514 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -12.948 -10.523 -7.196 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -13.052 -11.809 -6.011 1.00 0.00 H new ATOM 711 N ALA B 8 -14.589 -8.041 -6.475 1.00 0.00 N ATOM 712 CA ALA B 8 -13.775 -6.888 -6.797 1.00 0.00 C ATOM 713 C ALA B 8 -13.551 -6.002 -5.586 1.00 0.00 C ATOM 714 O ALA B 8 -12.417 -5.791 -5.186 1.00 0.00 O ATOM 715 CB ALA B 8 -14.417 -6.095 -7.922 1.00 0.00 C ATOM 0 H ALA B 8 -15.434 -8.122 -7.041 1.00 0.00 H new ATOM 0 HA ALA B 8 -12.799 -7.249 -7.123 1.00 0.00 H new ATOM 0 HB1 ALA B 8 -13.797 -5.230 -8.157 1.00 0.00 H new ATOM 0 HB2 ALA B 8 -14.509 -6.726 -8.806 1.00 0.00 H new ATOM 0 HB3 ALA B 8 -15.406 -5.759 -7.612 1.00 0.00 H new ATOM 721 N VAL B 9 -14.634 -5.529 -4.984 1.00 0.00 N ATOM 722 CA VAL B 9 -14.557 -4.557 -3.914 1.00 0.00 C ATOM 723 C VAL B 9 -13.856 -5.137 -2.700 1.00 0.00 C ATOM 724 O VAL B 9 -12.865 -4.585 -2.251 1.00 0.00 O ATOM 725 CB VAL B 9 -15.956 -4.045 -3.507 1.00 0.00 C ATOM 726 CG1 VAL B 9 -15.860 -3.054 -2.356 1.00 0.00 C ATOM 727 CG2 VAL B 9 -16.660 -3.409 -4.697 1.00 0.00 C ATOM 0 H VAL B 9 -15.584 -5.810 -5.226 1.00 0.00 H new ATOM 0 HA VAL B 9 -13.978 -3.715 -4.292 1.00 0.00 H new ATOM 0 HB VAL B 9 -16.543 -4.900 -3.172 1.00 0.00 H new ATOM 0 HG11 VAL B 9 -16.859 -2.709 -2.089 1.00 0.00 H new ATOM 0 HG12 VAL B 9 -15.402 -3.540 -1.495 1.00 0.00 H new ATOM 0 HG13 VAL B 9 -15.251 -2.202 -2.659 1.00 0.00 H new ATOM 0 HG21 VAL B 9 -17.644 -3.054 -4.391 1.00 0.00 H new ATOM 0 HG22 VAL B 9 -16.069 -2.569 -5.063 1.00 0.00 H new ATOM 0 HG23 VAL B 9 -16.772 -4.147 -5.491 1.00 0.00 H new ATOM 737 N ARG B 10 -14.347 -6.278 -2.211 1.00 0.00 N ATOM 738 CA ARG B 10 -13.879 -6.853 -0.967 1.00 0.00 C ATOM 739 C ARG B 10 -12.395 -7.165 -1.049 1.00 0.00 C ATOM 740 O ARG B 10 -11.666 -6.888 -0.118 1.00 0.00 O ATOM 741 CB ARG B 10 -14.667 -8.121 -0.627 1.00 0.00 C ATOM 742 CG ARG B 10 -14.544 -8.546 0.829 1.00 0.00 C ATOM 743 CD ARG B 10 -15.262 -9.860 1.089 1.00 0.00 C ATOM 744 NE ARG B 10 -14.592 -10.981 0.431 1.00 0.00 N ATOM 745 CZ ARG B 10 -15.062 -12.225 0.392 1.00 0.00 C ATOM 746 NH1 ARG B 10 -16.223 -12.528 0.967 1.00 0.00 N ATOM 747 NH2 ARG B 10 -14.358 -13.170 -0.218 1.00 0.00 N ATOM 0 H ARG B 10 -15.078 -6.821 -2.671 1.00 0.00 H new ATOM 0 HA ARG B 10 -14.039 -6.122 -0.174 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -15.719 -7.958 -0.861 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -14.321 -8.935 -1.264 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -13.491 -8.648 1.092 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -14.959 -7.770 1.472 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -15.309 -10.043 2.162 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -16.290 -9.790 0.733 1.00 0.00 H new ATOM 0 HE ARG B 10 -13.701 -10.796 -0.031 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -16.761 -11.804 1.443 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -16.575 -13.485 0.932 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -13.464 -12.940 -0.652 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -14.711 -14.126 -0.253 1.00 0.00 H new ATOM 761 N ARG B 11 -11.962 -7.710 -2.182 1.00 0.00 N ATOM 762 CA ARG B 11 -10.575 -8.079 -2.384 1.00 0.00 C ATOM 763 C ARG B 11 -9.705 -6.835 -2.309 1.00 0.00 C ATOM 764 O ARG B 11 -8.753 -6.793 -1.548 1.00 0.00 O ATOM 765 CB ARG B 11 -10.416 -8.771 -3.747 1.00 0.00 C ATOM 766 CG ARG B 11 -9.166 -9.635 -3.906 1.00 0.00 C ATOM 767 CD ARG B 11 -7.890 -8.809 -3.946 1.00 0.00 C ATOM 768 NE ARG B 11 -6.824 -9.488 -4.687 1.00 0.00 N ATOM 769 CZ ARG B 11 -5.646 -9.833 -4.167 1.00 0.00 C ATOM 770 NH1 ARG B 11 -5.414 -9.695 -2.866 1.00 0.00 N ATOM 771 NH2 ARG B 11 -4.710 -10.355 -4.950 1.00 0.00 N ATOM 0 H ARG B 11 -12.565 -7.906 -2.981 1.00 0.00 H new ATOM 0 HA ARG B 11 -10.261 -8.774 -1.605 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -11.292 -9.395 -3.922 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -10.409 -8.007 -4.524 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -9.111 -10.344 -3.080 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -9.246 -10.219 -4.823 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -8.096 -7.844 -4.409 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -7.555 -8.609 -2.928 1.00 0.00 H new ATOM 0 HE ARG B 11 -6.995 -9.712 -5.667 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -6.141 -9.322 -2.255 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -4.509 -9.962 -2.478 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -4.894 -10.490 -5.944 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -3.807 -10.621 -4.558 1.00 0.00 H new ATOM 785 N LYS B 12 -10.078 -5.811 -3.067 1.00 0.00 N ATOM 786 CA LYS B 12 -9.276 -4.613 -3.198 1.00 0.00 C ATOM 787 C LYS B 12 -9.139 -3.916 -1.857 1.00 0.00 C ATOM 788 O LYS B 12 -8.035 -3.608 -1.446 1.00 0.00 O ATOM 789 CB LYS B 12 -9.895 -3.664 -4.229 1.00 0.00 C ATOM 790 CG LYS B 12 -8.918 -2.638 -4.785 1.00 0.00 C ATOM 791 CD LYS B 12 -9.600 -1.704 -5.775 1.00 0.00 C ATOM 792 CE LYS B 12 -8.590 -0.937 -6.622 1.00 0.00 C ATOM 793 NZ LYS B 12 -7.681 -0.081 -5.814 1.00 0.00 N ATOM 0 H LYS B 12 -10.944 -5.793 -3.605 1.00 0.00 H new ATOM 0 HA LYS B 12 -8.283 -4.901 -3.543 1.00 0.00 H new ATOM 0 HB2 LYS B 12 -10.298 -4.252 -5.054 1.00 0.00 H new ATOM 0 HB3 LYS B 12 -10.734 -3.141 -3.770 1.00 0.00 H new ATOM 0 HG2 LYS B 12 -8.493 -2.057 -3.967 1.00 0.00 H new ATOM 0 HG3 LYS B 12 -8.090 -3.150 -5.276 1.00 0.00 H new ATOM 0 HD2 LYS B 12 -10.256 -2.282 -6.426 1.00 0.00 H new ATOM 0 HD3 LYS B 12 -10.230 -0.998 -5.233 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -7.995 -1.646 -7.198 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -9.125 -0.314 -7.339 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -6.945 0.321 -6.429 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 -8.226 0.689 -5.378 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 -7.235 -0.654 -5.070 1.00 0.00 H new ATOM 807 N ILE B 13 -10.258 -3.716 -1.165 1.00 0.00 N ATOM 808 CA ILE B 13 -10.257 -2.984 0.083 1.00 0.00 C ATOM 809 C ILE B 13 -9.446 -3.720 1.130 1.00 0.00 C ATOM 810 O ILE B 13 -8.765 -3.091 1.915 1.00 0.00 O ATOM 811 CB ILE B 13 -11.685 -2.709 0.617 1.00 0.00 C ATOM 812 CG1 ILE B 13 -12.446 -4.018 0.864 1.00 0.00 C ATOM 813 CG2 ILE B 13 -12.447 -1.816 -0.355 1.00 0.00 C ATOM 814 CD1 ILE B 13 -13.837 -3.822 1.428 1.00 0.00 C ATOM 0 H ILE B 13 -11.175 -4.055 -1.455 1.00 0.00 H new ATOM 0 HA ILE B 13 -9.797 -2.017 -0.123 1.00 0.00 H new ATOM 0 HB ILE B 13 -11.599 -2.192 1.572 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -12.519 -4.567 -0.075 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -11.870 -4.638 1.551 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -13.449 -1.630 0.031 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -11.920 -0.869 -0.468 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -12.518 -2.310 -1.324 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -14.310 -4.793 1.575 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -13.772 -3.302 2.384 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -14.432 -3.230 0.732 1.00 0.00 H new ATOM 826 N ARG B 14 -9.488 -5.053 1.109 1.00 0.00 N ATOM 827 CA ARG B 14 -8.711 -5.844 2.037 1.00 0.00 C ATOM 828 C ARG B 14 -7.238 -5.631 1.772 1.00 0.00 C ATOM 829 O ARG B 14 -6.498 -5.320 2.683 1.00 0.00 O ATOM 830 CB ARG B 14 -9.039 -7.337 1.940 1.00 0.00 C ATOM 831 CG ARG B 14 -8.184 -8.175 2.877 1.00 0.00 C ATOM 832 CD ARG B 14 -8.438 -9.666 2.733 1.00 0.00 C ATOM 833 NE ARG B 14 -7.535 -10.428 3.595 1.00 0.00 N ATOM 834 CZ ARG B 14 -7.813 -11.611 4.139 1.00 0.00 C ATOM 835 NH1 ARG B 14 -8.955 -12.229 3.868 1.00 0.00 N ATOM 836 NH2 ARG B 14 -6.925 -12.177 4.949 1.00 0.00 N ATOM 0 H ARG B 14 -10.053 -5.597 0.458 1.00 0.00 H new ATOM 0 HA ARG B 14 -8.966 -5.516 3.045 1.00 0.00 H new ATOM 0 HB2 ARG B 14 -10.092 -7.492 2.176 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -8.889 -7.674 0.914 1.00 0.00 H new ATOM 0 HG2 ARG B 14 -7.131 -7.970 2.681 1.00 0.00 H new ATOM 0 HG3 ARG B 14 -8.381 -7.876 3.906 1.00 0.00 H new ATOM 0 HD2 ARG B 14 -9.473 -9.891 2.992 1.00 0.00 H new ATOM 0 HD3 ARG B 14 -8.297 -9.966 1.695 1.00 0.00 H new ATOM 0 HE ARG B 14 -6.621 -10.021 3.795 1.00 0.00 H new ATOM 0 HH11 ARG B 14 -9.631 -11.798 3.237 1.00 0.00 H new ATOM 0 HH12 ARG B 14 -9.157 -13.135 4.291 1.00 0.00 H new ATOM 0 HH21 ARG B 14 -6.043 -11.705 5.148 1.00 0.00 H new ATOM 0 HH22 ARG B 14 -7.126 -13.083 5.372 1.00 0.00 H new ATOM 850 N SER B 15 -6.844 -5.765 0.504 1.00 0.00 N ATOM 851 CA SER B 15 -5.463 -5.628 0.093 1.00 0.00 C ATOM 852 C SER B 15 -4.874 -4.338 0.631 1.00 0.00 C ATOM 853 O SER B 15 -3.797 -4.354 1.191 1.00 0.00 O ATOM 854 CB SER B 15 -5.359 -5.669 -1.434 1.00 0.00 C ATOM 855 OG SER B 15 -4.014 -5.537 -1.867 1.00 0.00 O ATOM 0 H SER B 15 -7.484 -5.972 -0.263 1.00 0.00 H new ATOM 0 HA SER B 15 -4.893 -6.462 0.503 1.00 0.00 H new ATOM 0 HB2 SER B 15 -5.771 -6.609 -1.803 1.00 0.00 H new ATOM 0 HB3 SER B 15 -5.961 -4.867 -1.862 1.00 0.00 H new ATOM 0 HG SER B 15 -3.981 -5.569 -2.846 1.00 0.00 H new ATOM 861 N LEU B 16 -5.618 -3.246 0.491 1.00 0.00 N ATOM 862 CA LEU B 16 -5.170 -1.940 0.934 1.00 0.00 C ATOM 863 C LEU B 16 -4.807 -1.966 2.408 1.00 0.00 C ATOM 864 O LEU B 16 -3.687 -1.655 2.767 1.00 0.00 O ATOM 865 CB LEU B 16 -6.266 -0.900 0.693 1.00 0.00 C ATOM 866 CG LEU B 16 -6.672 -0.711 -0.769 1.00 0.00 C ATOM 867 CD1 LEU B 16 -7.890 0.190 -0.871 1.00 0.00 C ATOM 868 CD2 LEU B 16 -5.516 -0.136 -1.573 1.00 0.00 C ATOM 0 H LEU B 16 -6.546 -3.246 0.068 1.00 0.00 H new ATOM 0 HA LEU B 16 -4.283 -1.671 0.361 1.00 0.00 H new ATOM 0 HB2 LEU B 16 -7.149 -1.186 1.265 1.00 0.00 H new ATOM 0 HB3 LEU B 16 -5.928 0.059 1.087 1.00 0.00 H new ATOM 0 HG LEU B 16 -6.929 -1.686 -1.183 1.00 0.00 H new ATOM 0 HD11 LEU B 16 -8.165 0.313 -1.919 1.00 0.00 H new ATOM 0 HD12 LEU B 16 -8.722 -0.260 -0.328 1.00 0.00 H new ATOM 0 HD13 LEU B 16 -7.659 1.164 -0.439 1.00 0.00 H new ATOM 0 HD21 LEU B 16 -5.823 -0.008 -2.611 1.00 0.00 H new ATOM 0 HD22 LEU B 16 -5.229 0.830 -1.158 1.00 0.00 H new ATOM 0 HD23 LEU B 16 -4.666 -0.817 -1.527 1.00 0.00 H new ATOM 880 N GLN B 17 -5.751 -2.383 3.241 1.00 0.00 N ATOM 881 CA GLN B 17 -5.582 -2.347 4.677 1.00 0.00 C ATOM 882 C GLN B 17 -4.559 -3.373 5.125 1.00 0.00 C ATOM 883 O GLN B 17 -3.678 -3.057 5.900 1.00 0.00 O ATOM 884 CB GLN B 17 -6.921 -2.602 5.371 1.00 0.00 C ATOM 885 CG GLN B 17 -7.992 -1.591 5.000 1.00 0.00 C ATOM 886 CD GLN B 17 -9.332 -1.893 5.640 1.00 0.00 C ATOM 887 OE1 GLN B 17 -9.403 -2.463 6.730 1.00 0.00 O ATOM 888 NE2 GLN B 17 -10.406 -1.525 4.961 1.00 0.00 N ATOM 0 H GLN B 17 -6.651 -2.754 2.936 1.00 0.00 H new ATOM 0 HA GLN B 17 -5.220 -1.357 4.955 1.00 0.00 H new ATOM 0 HB2 GLN B 17 -7.271 -3.602 5.114 1.00 0.00 H new ATOM 0 HB3 GLN B 17 -6.772 -2.584 6.451 1.00 0.00 H new ATOM 0 HG2 GLN B 17 -7.666 -0.596 5.303 1.00 0.00 H new ATOM 0 HG3 GLN B 17 -8.108 -1.573 3.916 1.00 0.00 H new ATOM 0 HE21 GLN B 17 -10.304 -1.055 4.061 1.00 0.00 H new ATOM 0 HE22 GLN B 17 -11.336 -1.711 5.337 1.00 0.00 H new ATOM 897 N GLU B 18 -4.663 -4.583 4.593 1.00 0.00 N ATOM 898 CA GLU B 18 -3.826 -5.684 5.008 1.00 0.00 C ATOM 899 C GLU B 18 -2.372 -5.387 4.695 1.00 0.00 C ATOM 900 O GLU B 18 -1.523 -5.545 5.551 1.00 0.00 O ATOM 901 CB GLU B 18 -4.282 -6.976 4.325 1.00 0.00 C ATOM 902 CG GLU B 18 -3.603 -8.227 4.850 1.00 0.00 C ATOM 903 CD GLU B 18 -4.246 -9.492 4.319 1.00 0.00 C ATOM 904 OE1 GLU B 18 -5.191 -9.996 4.964 1.00 0.00 O ATOM 905 OE2 GLU B 18 -3.822 -9.979 3.254 1.00 0.00 O ATOM 0 H GLU B 18 -5.333 -4.822 3.862 1.00 0.00 H new ATOM 0 HA GLU B 18 -3.919 -5.815 6.086 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -5.360 -7.080 4.451 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -4.093 -6.895 3.255 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -2.550 -8.212 4.570 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -3.643 -8.230 5.939 1.00 0.00 H new ATOM 912 N GLN B 19 -2.101 -4.900 3.487 1.00 0.00 N ATOM 913 CA GLN B 19 -0.748 -4.630 3.070 1.00 0.00 C ATOM 914 C GLN B 19 -0.207 -3.426 3.812 1.00 0.00 C ATOM 915 O GLN B 19 0.982 -3.331 4.016 1.00 0.00 O ATOM 916 CB GLN B 19 -0.672 -4.413 1.555 1.00 0.00 C ATOM 917 CG GLN B 19 0.745 -4.207 1.032 1.00 0.00 C ATOM 918 CD GLN B 19 1.688 -5.334 1.421 1.00 0.00 C ATOM 919 OE1 GLN B 19 1.278 -6.482 1.584 1.00 0.00 O ATOM 920 NE2 GLN B 19 2.962 -5.008 1.581 1.00 0.00 N ATOM 0 H GLN B 19 -2.810 -4.687 2.785 1.00 0.00 H new ATOM 0 HA GLN B 19 -0.133 -5.497 3.312 1.00 0.00 H new ATOM 0 HB2 GLN B 19 -1.113 -5.273 1.052 1.00 0.00 H new ATOM 0 HB3 GLN B 19 -1.276 -3.545 1.291 1.00 0.00 H new ATOM 0 HG2 GLN B 19 0.717 -4.122 -0.054 1.00 0.00 H new ATOM 0 HG3 GLN B 19 1.135 -3.264 1.416 1.00 0.00 H new ATOM 0 HE21 GLN B 19 3.264 -4.044 1.437 1.00 0.00 H new ATOM 0 HE22 GLN B 19 3.641 -5.721 1.849 1.00 0.00 H new ATOM 929 N ASN B 20 -1.092 -2.524 4.235 1.00 0.00 N ATOM 930 CA ASN B 20 -0.687 -1.354 4.994 1.00 0.00 C ATOM 931 C ASN B 20 0.059 -1.777 6.237 1.00 0.00 C ATOM 932 O ASN B 20 1.185 -1.360 6.445 1.00 0.00 O ATOM 933 CB ASN B 20 -1.891 -0.486 5.375 1.00 0.00 C ATOM 934 CG ASN B 20 -2.036 0.736 4.488 1.00 0.00 C ATOM 935 OD1 ASN B 20 -1.605 0.625 3.241 1.00 0.00 O flip ATOM 936 ND2 ASN B 20 -2.533 1.777 4.920 1.00 0.00 N flip ATOM 0 H ASN B 20 -2.095 -2.586 4.062 1.00 0.00 H new ATOM 0 HA ASN B 20 -0.030 -0.756 4.362 1.00 0.00 H new ATOM 0 HB2 ASN B 20 -2.800 -1.085 5.313 1.00 0.00 H new ATOM 0 HB3 ASN B 20 -1.790 -0.167 6.412 1.00 0.00 H new ATOM 0 HD21 ASN B 20 -2.854 1.826 5.887 1.00 0.00 H new ATOM 0 HD22 ASN B 20 -2.623 2.590 4.311 1.00 0.00 H new ATOM 943 N TYR B 21 -0.560 -2.638 7.035 1.00 0.00 N ATOM 944 CA TYR B 21 0.055 -3.130 8.247 1.00 0.00 C ATOM 945 C TYR B 21 1.213 -4.044 7.896 1.00 0.00 C ATOM 946 O TYR B 21 2.238 -4.002 8.543 1.00 0.00 O ATOM 947 CB TYR B 21 -0.966 -3.877 9.115 1.00 0.00 C ATOM 948 CG TYR B 21 -0.391 -4.390 10.416 1.00 0.00 C ATOM 949 CD1 TYR B 21 -0.214 -3.541 11.502 1.00 0.00 C ATOM 950 CD2 TYR B 21 -0.027 -5.724 10.562 1.00 0.00 C ATOM 951 CE1 TYR B 21 0.309 -4.005 12.691 1.00 0.00 C ATOM 952 CE2 TYR B 21 0.497 -6.195 11.751 1.00 0.00 C ATOM 953 CZ TYR B 21 0.662 -5.333 12.811 1.00 0.00 C ATOM 954 OH TYR B 21 1.185 -5.799 13.992 1.00 0.00 O ATOM 0 H TYR B 21 -1.494 -3.008 6.857 1.00 0.00 H new ATOM 0 HA TYR B 21 0.426 -2.280 8.819 1.00 0.00 H new ATOM 0 HB2 TYR B 21 -1.801 -3.212 9.333 1.00 0.00 H new ATOM 0 HB3 TYR B 21 -1.367 -4.717 8.548 1.00 0.00 H new ATOM 0 HD1 TYR B 21 -0.491 -2.501 11.413 1.00 0.00 H new ATOM 0 HD2 TYR B 21 -0.156 -6.403 9.732 1.00 0.00 H new ATOM 0 HE1 TYR B 21 0.442 -3.331 13.525 1.00 0.00 H new ATOM 0 HE2 TYR B 21 0.775 -7.234 11.848 1.00 0.00 H new ATOM 0 HH TYR B 21 1.379 -6.756 13.909 1.00 0.00 H new ATOM 964 N HIS B 22 1.042 -4.842 6.846 1.00 0.00 N ATOM 965 CA HIS B 22 2.055 -5.788 6.423 1.00 0.00 C ATOM 966 C HIS B 22 3.350 -5.057 6.128 1.00 0.00 C ATOM 967 O HIS B 22 4.385 -5.448 6.617 1.00 0.00 O ATOM 968 CB HIS B 22 1.594 -6.552 5.177 1.00 0.00 C ATOM 969 CG HIS B 22 2.337 -7.833 4.924 1.00 0.00 C ATOM 970 ND1 HIS B 22 3.694 -7.898 4.683 1.00 0.00 N ATOM 971 CD2 HIS B 22 1.890 -9.112 4.865 1.00 0.00 C ATOM 972 CE1 HIS B 22 4.045 -9.156 4.488 1.00 0.00 C ATOM 973 NE2 HIS B 22 2.969 -9.912 4.593 1.00 0.00 N ATOM 0 H HIS B 22 0.200 -4.847 6.271 1.00 0.00 H new ATOM 0 HA HIS B 22 2.219 -6.504 7.228 1.00 0.00 H new ATOM 0 HB2 HIS B 22 0.532 -6.776 5.275 1.00 0.00 H new ATOM 0 HB3 HIS B 22 1.704 -5.904 4.307 1.00 0.00 H new ATOM 0 HD1 HIS B 22 4.327 -7.099 4.659 1.00 0.00 H new ATOM 0 HD2 HIS B 22 0.871 -9.440 5.006 1.00 0.00 H new ATOM 0 HE1 HIS B 22 5.045 -9.507 4.278 1.00 0.00 H new ATOM 982 N LEU B 23 3.260 -3.969 5.367 1.00 0.00 N ATOM 983 CA LEU B 23 4.418 -3.217 4.943 1.00 0.00 C ATOM 984 C LEU B 23 5.199 -2.713 6.138 1.00 0.00 C ATOM 985 O LEU B 23 6.409 -2.658 6.088 1.00 0.00 O ATOM 986 CB LEU B 23 3.990 -2.040 4.059 1.00 0.00 C ATOM 987 CG LEU B 23 5.132 -1.206 3.480 1.00 0.00 C ATOM 988 CD1 LEU B 23 5.997 -2.052 2.561 1.00 0.00 C ATOM 989 CD2 LEU B 23 4.583 0.005 2.738 1.00 0.00 C ATOM 0 H LEU B 23 2.375 -3.590 5.031 1.00 0.00 H new ATOM 0 HA LEU B 23 5.063 -3.879 4.365 1.00 0.00 H new ATOM 0 HB2 LEU B 23 3.390 -2.426 3.235 1.00 0.00 H new ATOM 0 HB3 LEU B 23 3.344 -1.385 4.643 1.00 0.00 H new ATOM 0 HG LEU B 23 5.753 -0.852 4.303 1.00 0.00 H new ATOM 0 HD11 LEU B 23 6.805 -1.441 2.158 1.00 0.00 H new ATOM 0 HD12 LEU B 23 6.418 -2.886 3.123 1.00 0.00 H new ATOM 0 HD13 LEU B 23 5.390 -2.437 1.742 1.00 0.00 H new ATOM 0 HD21 LEU B 23 5.409 0.588 2.332 1.00 0.00 H new ATOM 0 HD22 LEU B 23 3.939 -0.328 1.924 1.00 0.00 H new ATOM 0 HD23 LEU B 23 4.007 0.623 3.426 1.00 0.00 H new ATOM 1001 N GLU B 24 4.500 -2.387 7.225 1.00 0.00 N ATOM 1002 CA GLU B 24 5.135 -1.859 8.408 1.00 0.00 C ATOM 1003 C GLU B 24 5.993 -2.923 9.051 1.00 0.00 C ATOM 1004 O GLU B 24 6.928 -2.610 9.753 1.00 0.00 O ATOM 1005 CB GLU B 24 4.091 -1.340 9.398 1.00 0.00 C ATOM 1006 CG GLU B 24 3.270 -0.188 8.848 1.00 0.00 C ATOM 1007 CD GLU B 24 2.316 0.389 9.870 1.00 0.00 C ATOM 1008 OE1 GLU B 24 2.717 1.317 10.605 1.00 0.00 O ATOM 1009 OE2 GLU B 24 1.157 -0.065 9.929 1.00 0.00 O ATOM 0 H GLU B 24 3.487 -2.484 7.300 1.00 0.00 H new ATOM 0 HA GLU B 24 5.770 -1.022 8.118 1.00 0.00 H new ATOM 0 HB2 GLU B 24 3.423 -2.156 9.673 1.00 0.00 H new ATOM 0 HB3 GLU B 24 4.593 -1.018 10.310 1.00 0.00 H new ATOM 0 HG2 GLU B 24 3.941 0.597 8.499 1.00 0.00 H new ATOM 0 HG3 GLU B 24 2.704 -0.531 7.982 1.00 0.00 H new ATOM 1016 N ASN B 25 5.675 -4.182 8.791 1.00 0.00 N ATOM 1017 CA ASN B 25 6.467 -5.283 9.289 1.00 0.00 C ATOM 1018 C ASN B 25 7.801 -5.299 8.572 1.00 0.00 C ATOM 1019 O ASN B 25 8.831 -5.480 9.196 1.00 0.00 O ATOM 1020 CB ASN B 25 5.723 -6.611 9.096 1.00 0.00 C ATOM 1021 CG ASN B 25 6.561 -7.822 9.462 1.00 0.00 C ATOM 1022 OD1 ASN B 25 6.614 -8.231 10.625 1.00 0.00 O ATOM 1023 ND2 ASN B 25 7.193 -8.421 8.466 1.00 0.00 N ATOM 0 H ASN B 25 4.868 -4.462 8.234 1.00 0.00 H new ATOM 0 HA ASN B 25 6.639 -5.154 10.358 1.00 0.00 H new ATOM 0 HB2 ASN B 25 4.818 -6.605 9.704 1.00 0.00 H new ATOM 0 HB3 ASN B 25 5.407 -6.696 8.056 1.00 0.00 H new ATOM 0 HD21 ASN B 25 7.752 -9.255 8.645 1.00 0.00 H new ATOM 0 HD22 ASN B 25 7.122 -8.048 7.519 1.00 0.00 H new ATOM 1030 N GLU B 26 7.769 -5.059 7.267 1.00 0.00 N ATOM 1031 CA GLU B 26 8.969 -5.035 6.459 1.00 0.00 C ATOM 1032 C GLU B 26 9.773 -3.774 6.736 1.00 0.00 C ATOM 1033 O GLU B 26 10.905 -3.857 7.192 1.00 0.00 O ATOM 1034 CB GLU B 26 8.639 -5.108 4.961 1.00 0.00 C ATOM 1035 CG GLU B 26 8.196 -6.481 4.476 1.00 0.00 C ATOM 1036 CD GLU B 26 6.802 -6.858 4.926 1.00 0.00 C ATOM 1037 OE1 GLU B 26 5.823 -6.410 4.287 1.00 0.00 O ATOM 1038 OE2 GLU B 26 6.675 -7.620 5.909 1.00 0.00 O ATOM 0 H GLU B 26 6.911 -4.877 6.746 1.00 0.00 H new ATOM 0 HA GLU B 26 9.559 -5.911 6.728 1.00 0.00 H new ATOM 0 HB2 GLU B 26 7.851 -4.388 4.740 1.00 0.00 H new ATOM 0 HB3 GLU B 26 9.518 -4.803 4.393 1.00 0.00 H new ATOM 0 HG2 GLU B 26 8.236 -6.504 3.387 1.00 0.00 H new ATOM 0 HG3 GLU B 26 8.901 -7.230 4.837 1.00 0.00 H new ATOM 1045 N VAL B 27 9.153 -2.614 6.508 1.00 0.00 N ATOM 1046 CA VAL B 27 9.845 -1.340 6.521 1.00 0.00 C ATOM 1047 C VAL B 27 10.553 -1.101 7.843 1.00 0.00 C ATOM 1048 O VAL B 27 11.651 -0.584 7.842 1.00 0.00 O ATOM 1049 CB VAL B 27 8.887 -0.160 6.206 1.00 0.00 C ATOM 1050 CG1 VAL B 27 7.824 0.007 7.283 1.00 0.00 C ATOM 1051 CG2 VAL B 27 9.668 1.130 6.012 1.00 0.00 C ATOM 0 H VAL B 27 8.155 -2.540 6.310 1.00 0.00 H new ATOM 0 HA VAL B 27 10.597 -1.387 5.733 1.00 0.00 H new ATOM 0 HB VAL B 27 8.372 -0.396 5.275 1.00 0.00 H new ATOM 0 HG11 VAL B 27 7.174 0.843 7.026 1.00 0.00 H new ATOM 0 HG12 VAL B 27 7.232 -0.905 7.354 1.00 0.00 H new ATOM 0 HG13 VAL B 27 8.305 0.203 8.241 1.00 0.00 H new ATOM 0 HG21 VAL B 27 8.977 1.944 5.792 1.00 0.00 H new ATOM 0 HG22 VAL B 27 10.222 1.360 6.922 1.00 0.00 H new ATOM 0 HG23 VAL B 27 10.365 1.012 5.183 1.00 0.00 H new ATOM 1061 N ALA B 28 9.943 -1.529 8.951 1.00 0.00 N ATOM 1062 CA ALA B 28 10.499 -1.318 10.273 1.00 0.00 C ATOM 1063 C ALA B 28 11.923 -1.830 10.343 1.00 0.00 C ATOM 1064 O ALA B 28 12.816 -1.115 10.761 1.00 0.00 O ATOM 1065 CB ALA B 28 9.640 -2.000 11.326 1.00 0.00 C ATOM 0 H ALA B 28 9.054 -2.029 8.948 1.00 0.00 H new ATOM 0 HA ALA B 28 10.509 -0.246 10.472 1.00 0.00 H new ATOM 0 HB1 ALA B 28 10.072 -1.832 12.313 1.00 0.00 H new ATOM 0 HB2 ALA B 28 8.632 -1.587 11.296 1.00 0.00 H new ATOM 0 HB3 ALA B 28 9.600 -3.071 11.125 1.00 0.00 H new ATOM 1071 N ARG B 29 12.133 -3.053 9.878 1.00 0.00 N ATOM 1072 CA ARG B 29 13.442 -3.661 9.919 1.00 0.00 C ATOM 1073 C ARG B 29 14.273 -3.138 8.775 1.00 0.00 C ATOM 1074 O ARG B 29 15.432 -2.848 8.956 1.00 0.00 O ATOM 1075 CB ARG B 29 13.365 -5.192 9.854 1.00 0.00 C ATOM 1076 CG ARG B 29 12.836 -5.849 11.122 1.00 0.00 C ATOM 1077 CD ARG B 29 11.348 -5.619 11.301 1.00 0.00 C ATOM 1078 NE ARG B 29 10.837 -6.262 12.508 1.00 0.00 N ATOM 1079 CZ ARG B 29 9.670 -6.899 12.571 1.00 0.00 C ATOM 1080 NH1 ARG B 29 8.897 -6.974 11.496 1.00 0.00 N ATOM 1081 NH2 ARG B 29 9.265 -7.446 13.708 1.00 0.00 N ATOM 0 H ARG B 29 11.407 -3.640 9.468 1.00 0.00 H new ATOM 0 HA ARG B 29 13.907 -3.398 10.869 1.00 0.00 H new ATOM 0 HB2 ARG B 29 12.726 -5.476 9.018 1.00 0.00 H new ATOM 0 HB3 ARG B 29 14.360 -5.585 9.643 1.00 0.00 H new ATOM 0 HG2 ARG B 29 13.036 -6.920 11.086 1.00 0.00 H new ATOM 0 HG3 ARG B 29 13.371 -5.454 11.986 1.00 0.00 H new ATOM 0 HD2 ARG B 29 11.150 -4.548 11.349 1.00 0.00 H new ATOM 0 HD3 ARG B 29 10.814 -6.003 10.432 1.00 0.00 H new ATOM 0 HE ARG B 29 11.408 -6.221 13.352 1.00 0.00 H new ATOM 0 HH11 ARG B 29 9.197 -6.544 10.621 1.00 0.00 H new ATOM 0 HH12 ARG B 29 8.003 -7.462 11.544 1.00 0.00 H new ATOM 0 HH21 ARG B 29 9.849 -7.380 14.542 1.00 0.00 H new ATOM 0 HH22 ARG B 29 8.370 -7.933 13.749 1.00 0.00 H new ATOM 1095 N LEU B 30 13.643 -2.985 7.613 1.00 0.00 N ATOM 1096 CA LEU B 30 14.317 -2.569 6.397 1.00 0.00 C ATOM 1097 C LEU B 30 15.130 -1.306 6.638 1.00 0.00 C ATOM 1098 O LEU B 30 16.345 -1.326 6.509 1.00 0.00 O ATOM 1099 CB LEU B 30 13.278 -2.351 5.283 1.00 0.00 C ATOM 1100 CG LEU B 30 13.827 -2.213 3.853 1.00 0.00 C ATOM 1101 CD1 LEU B 30 12.726 -2.489 2.841 1.00 0.00 C ATOM 1102 CD2 LEU B 30 14.408 -0.825 3.612 1.00 0.00 C ATOM 0 H LEU B 30 12.643 -3.149 7.493 1.00 0.00 H new ATOM 0 HA LEU B 30 15.009 -3.352 6.086 1.00 0.00 H new ATOM 0 HB2 LEU B 30 12.578 -3.186 5.301 1.00 0.00 H new ATOM 0 HB3 LEU B 30 12.708 -1.452 5.518 1.00 0.00 H new ATOM 0 HG LEU B 30 14.627 -2.944 3.732 1.00 0.00 H new ATOM 0 HD11 LEU B 30 13.126 -2.388 1.832 1.00 0.00 H new ATOM 0 HD12 LEU B 30 12.347 -3.501 2.982 1.00 0.00 H new ATOM 0 HD13 LEU B 30 11.914 -1.775 2.982 1.00 0.00 H new ATOM 0 HD21 LEU B 30 14.787 -0.761 2.592 1.00 0.00 H new ATOM 0 HD22 LEU B 30 13.631 -0.075 3.758 1.00 0.00 H new ATOM 0 HD23 LEU B 30 15.222 -0.645 4.314 1.00 0.00 H new ATOM 1114 N LYS B 31 14.460 -0.229 7.039 1.00 0.00 N ATOM 1115 CA LYS B 31 15.101 1.058 7.166 1.00 0.00 C ATOM 1116 C LYS B 31 16.074 1.053 8.326 1.00 0.00 C ATOM 1117 O LYS B 31 17.106 1.688 8.255 1.00 0.00 O ATOM 1118 CB LYS B 31 14.054 2.179 7.312 1.00 0.00 C ATOM 1119 CG LYS B 31 13.181 2.089 8.562 1.00 0.00 C ATOM 1120 CD LYS B 31 13.785 2.853 9.732 1.00 0.00 C ATOM 1121 CE LYS B 31 12.976 2.663 11.004 1.00 0.00 C ATOM 1122 NZ LYS B 31 13.557 3.419 12.147 1.00 0.00 N ATOM 0 H LYS B 31 13.469 -0.232 7.280 1.00 0.00 H new ATOM 0 HA LYS B 31 15.667 1.255 6.256 1.00 0.00 H new ATOM 0 HB2 LYS B 31 14.570 3.139 7.316 1.00 0.00 H new ATOM 0 HB3 LYS B 31 13.408 2.168 6.434 1.00 0.00 H new ATOM 0 HG2 LYS B 31 12.190 2.486 8.342 1.00 0.00 H new ATOM 0 HG3 LYS B 31 13.051 1.043 8.840 1.00 0.00 H new ATOM 0 HD2 LYS B 31 14.808 2.516 9.898 1.00 0.00 H new ATOM 0 HD3 LYS B 31 13.835 3.914 9.487 1.00 0.00 H new ATOM 0 HE2 LYS B 31 11.950 2.991 10.835 1.00 0.00 H new ATOM 0 HE3 LYS B 31 12.934 1.603 11.253 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 12.977 3.264 12.996 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 14.527 3.088 12.325 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 13.574 4.434 11.920 1.00 0.00 H new ATOM 1136 N LYS B 32 15.767 0.301 9.372 1.00 0.00 N ATOM 1137 CA LYS B 32 16.585 0.315 10.579 1.00 0.00 C ATOM 1138 C LYS B 32 17.842 -0.537 10.411 1.00 0.00 C ATOM 1139 O LYS B 32 18.882 -0.231 10.987 1.00 0.00 O ATOM 1140 CB LYS B 32 15.780 -0.185 11.777 1.00 0.00 C ATOM 1141 CG LYS B 32 16.533 -0.075 13.092 1.00 0.00 C ATOM 1142 CD LYS B 32 15.761 -0.700 14.238 1.00 0.00 C ATOM 1143 CE LYS B 32 16.556 -0.641 15.532 1.00 0.00 C ATOM 1144 NZ LYS B 32 15.904 -1.414 16.619 1.00 0.00 N ATOM 0 H LYS B 32 14.962 -0.324 9.412 1.00 0.00 H new ATOM 0 HA LYS B 32 16.891 1.346 10.756 1.00 0.00 H new ATOM 0 HB2 LYS B 32 14.854 0.385 11.847 1.00 0.00 H new ATOM 0 HB3 LYS B 32 15.502 -1.226 11.611 1.00 0.00 H new ATOM 0 HG2 LYS B 32 17.502 -0.564 12.998 1.00 0.00 H new ATOM 0 HG3 LYS B 32 16.726 0.975 13.314 1.00 0.00 H new ATOM 0 HD2 LYS B 32 14.812 -0.180 14.367 1.00 0.00 H new ATOM 0 HD3 LYS B 32 15.526 -1.737 13.999 1.00 0.00 H new ATOM 0 HE2 LYS B 32 17.559 -1.032 15.360 1.00 0.00 H new ATOM 0 HE3 LYS B 32 16.668 0.398 15.842 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 16.478 -1.348 17.484 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 14.957 -1.025 16.801 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 15.820 -2.411 16.334 1.00 0.00 H new ATOM 1158 N LEU B 33 17.738 -1.598 9.621 1.00 0.00 N ATOM 1159 CA LEU B 33 18.841 -2.539 9.444 1.00 0.00 C ATOM 1160 C LEU B 33 20.049 -1.840 8.820 1.00 0.00 C ATOM 1161 O LEU B 33 21.169 -1.969 9.310 1.00 0.00 O ATOM 1162 CB LEU B 33 18.382 -3.722 8.568 1.00 0.00 C ATOM 1163 CG LEU B 33 19.180 -5.033 8.712 1.00 0.00 C ATOM 1164 CD1 LEU B 33 20.568 -4.915 8.101 1.00 0.00 C ATOM 1165 CD2 LEU B 33 19.274 -5.442 10.176 1.00 0.00 C ATOM 0 H LEU B 33 16.899 -1.831 9.090 1.00 0.00 H new ATOM 0 HA LEU B 33 19.141 -2.921 10.420 1.00 0.00 H new ATOM 0 HB2 LEU B 33 17.337 -3.931 8.797 1.00 0.00 H new ATOM 0 HB3 LEU B 33 18.423 -3.410 7.524 1.00 0.00 H new ATOM 0 HG LEU B 33 18.644 -5.808 8.164 1.00 0.00 H new ATOM 0 HD11 LEU B 33 21.100 -5.859 8.222 1.00 0.00 H new ATOM 0 HD12 LEU B 33 20.480 -4.682 7.040 1.00 0.00 H new ATOM 0 HD13 LEU B 33 21.120 -4.120 8.603 1.00 0.00 H new ATOM 0 HD21 LEU B 33 19.841 -6.369 10.259 1.00 0.00 H new ATOM 0 HD22 LEU B 33 19.777 -4.658 10.741 1.00 0.00 H new ATOM 0 HD23 LEU B 33 18.272 -5.592 10.577 1.00 0.00 H new ATOM 1177 N VAL B 34 19.807 -1.091 7.750 1.00 0.00 N ATOM 1178 CA VAL B 34 20.881 -0.409 7.037 1.00 0.00 C ATOM 1179 C VAL B 34 21.421 0.772 7.851 1.00 0.00 C ATOM 1180 O VAL B 34 22.590 1.153 7.722 1.00 0.00 O ATOM 1181 CB VAL B 34 20.410 0.071 5.642 1.00 0.00 C ATOM 1182 CG1 VAL B 34 19.279 1.083 5.758 1.00 0.00 C ATOM 1183 CG2 VAL B 34 21.568 0.650 4.843 1.00 0.00 C ATOM 0 H VAL B 34 18.878 -0.941 7.357 1.00 0.00 H new ATOM 0 HA VAL B 34 21.688 -1.128 6.897 1.00 0.00 H new ATOM 0 HB VAL B 34 20.029 -0.799 5.107 1.00 0.00 H new ATOM 0 HG11 VAL B 34 18.971 1.400 4.762 1.00 0.00 H new ATOM 0 HG12 VAL B 34 18.433 0.626 6.271 1.00 0.00 H new ATOM 0 HG13 VAL B 34 19.622 1.949 6.325 1.00 0.00 H new ATOM 0 HG21 VAL B 34 21.209 0.979 3.868 1.00 0.00 H new ATOM 0 HG22 VAL B 34 21.991 1.499 5.379 1.00 0.00 H new ATOM 0 HG23 VAL B 34 22.335 -0.113 4.709 1.00 0.00 H new ATOM 1193 N GLY B 35 20.573 1.337 8.695 1.00 0.00 N ATOM 1194 CA GLY B 35 20.983 2.453 9.523 1.00 0.00 C ATOM 1195 C GLY B 35 21.644 2.008 10.810 1.00 0.00 C ATOM 1196 O GLY B 35 22.871 2.047 10.926 1.00 0.00 O ATOM 0 H GLY B 35 19.605 1.042 8.822 1.00 0.00 H new ATOM 0 HA2 GLY B 35 21.674 3.083 8.962 1.00 0.00 H new ATOM 0 HA3 GLY B 35 20.113 3.066 9.758 1.00 0.00 H new ATOM 1200 N GLU B 36 20.820 1.545 11.753 1.00 0.00 N ATOM 1201 CA GLU B 36 21.262 1.161 13.098 1.00 0.00 C ATOM 1202 C GLU B 36 22.072 2.288 13.743 1.00 0.00 C ATOM 1203 O GLU B 36 21.496 3.242 14.268 1.00 0.00 O ATOM 1204 CB GLU B 36 22.070 -0.142 13.060 1.00 0.00 C ATOM 1205 CG GLU B 36 22.186 -0.820 14.413 1.00 0.00 C ATOM 1206 CD GLU B 36 20.843 -1.271 14.947 1.00 0.00 C ATOM 1207 OE1 GLU B 36 20.440 -2.420 14.659 1.00 0.00 O ATOM 1208 OE2 GLU B 36 20.182 -0.480 15.652 1.00 0.00 O ATOM 0 H GLU B 36 19.818 1.425 11.604 1.00 0.00 H new ATOM 0 HA GLU B 36 20.376 0.987 13.709 1.00 0.00 H new ATOM 0 HB2 GLU B 36 21.602 -0.830 12.356 1.00 0.00 H new ATOM 0 HB3 GLU B 36 23.070 0.070 12.682 1.00 0.00 H new ATOM 0 HG2 GLU B 36 22.849 -1.681 14.330 1.00 0.00 H new ATOM 0 HG3 GLU B 36 22.645 -0.132 15.123 1.00 0.00 H new ATOM 1215 N ARG B 37 23.398 2.171 13.679 1.00 0.00 N ATOM 1216 CA ARG B 37 24.312 3.227 14.102 1.00 0.00 C ATOM 1217 C ARG B 37 24.064 3.645 15.551 1.00 0.00 C ATOM 1218 O ARG B 37 24.579 2.960 16.460 1.00 0.00 O ATOM 1219 CB ARG B 37 24.178 4.424 13.156 1.00 0.00 C ATOM 1220 CG ARG B 37 25.461 5.214 12.988 1.00 0.00 C ATOM 1221 CD ARG B 37 25.391 6.112 11.764 1.00 0.00 C ATOM 1222 NE ARG B 37 26.697 6.670 11.417 1.00 0.00 N ATOM 1223 CZ ARG B 37 27.493 6.171 10.470 1.00 0.00 C ATOM 1224 NH1 ARG B 37 27.115 5.109 9.769 1.00 0.00 N ATOM 1225 NH2 ARG B 37 28.667 6.736 10.228 1.00 0.00 N ATOM 1226 OXT ARG B 37 23.365 4.652 15.780 1.00 0.00 O ATOM 0 H ARG B 37 23.869 1.336 13.330 1.00 0.00 H new ATOM 0 HA ARG B 37 25.331 2.842 14.055 1.00 0.00 H new ATOM 0 HB2 ARG B 37 23.850 4.069 12.179 1.00 0.00 H new ATOM 0 HB3 ARG B 37 23.399 5.088 13.532 1.00 0.00 H new ATOM 0 HG2 ARG B 37 25.639 5.819 13.877 1.00 0.00 H new ATOM 0 HG3 ARG B 37 26.304 4.530 12.894 1.00 0.00 H new ATOM 0 HD2 ARG B 37 25.004 5.543 10.919 1.00 0.00 H new ATOM 0 HD3 ARG B 37 24.688 6.924 11.950 1.00 0.00 H new ATOM 0 HE ARG B 37 27.019 7.491 11.930 1.00 0.00 H new ATOM 0 HH11 ARG B 37 26.212 4.671 9.953 1.00 0.00 H new ATOM 0 HH12 ARG B 37 27.727 4.731 9.046 1.00 0.00 H new ATOM 0 HH21 ARG B 37 28.961 7.551 10.766 1.00 0.00 H new ATOM 0 HH22 ARG B 37 29.277 6.355 9.504 1.00 0.00 H new TER 1240 ARG B 37