USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 816 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLU N :NH3+ 149:sc= 0.00435 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0.222 K(o=0.22,f=-0.32) USER MOD Single : A 6 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00138) USER MOD Single : A 8 LYS NZ :NH3+ 169:sc= -0.0205 (180deg=-0.173) USER MOD Single : A 10 LYS NZ :NH3+ -168:sc= -0.0265 (180deg=-0.228) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.0074 K(o=-0.0074,f=-1.1) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 40:sc= 0.218 USER MOD Single : A 26 GLN : amide:sc= 0.219 X(o=0.22,f=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.357 K(o=-0.36,f=-1.5) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot -141:sc= -0.701 USER MOD Single : A 35 CYS SG : rot -42:sc= -1.35! USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.1 K(o=-0.1,f=-0.86) USER MOD Single : A 45 SER OG : rot -99:sc= 0.645 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.377 K(o=-0.38,f=-1.1) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.00155 USER MOD Single : A 60 ASN : amide:sc= -0.0327 X(o=-0.033,f=-0.51) USER MOD Single : A 64 LYS NZ :NH3+ 162:sc= 1.25 (180deg=0.648) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= -0.0212 USER MOD Single : A 74 TYR OH : rot 30:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= -0.28 USER MOD Single : A 78 LYS NZ :NH3+ 171:sc= 1.21 (180deg=1.1) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 63:sc= 0.162 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 150:sc= -2.51! (180deg=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -33.513 9.730 2.985 1.00 0.00 N ATOM 2 CA GLU A 1 -32.356 10.420 3.531 1.00 0.00 C ATOM 3 C GLU A 1 -31.342 9.417 4.036 1.00 0.00 C ATOM 4 O GLU A 1 -31.685 8.455 4.735 1.00 0.00 O ATOM 5 CB GLU A 1 -32.762 11.371 4.676 1.00 0.00 C ATOM 6 CG GLU A 1 -31.575 12.071 5.341 1.00 0.00 C ATOM 7 CD GLU A 1 -31.964 12.928 6.510 1.00 0.00 C ATOM 8 OE1 GLU A 1 -32.384 12.390 7.532 1.00 0.00 O ATOM 9 OE2 GLU A 1 -31.852 14.166 6.423 1.00 0.00 O ATOM 0 H1 GLU A 1 -34.363 10.312 3.126 1.00 0.00 H new ATOM 0 H2 GLU A 1 -33.371 9.566 1.968 1.00 0.00 H new ATOM 0 H3 GLU A 1 -33.634 8.818 3.470 1.00 0.00 H new ATOM 0 HA GLU A 1 -31.912 11.014 2.732 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -33.446 12.125 4.286 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -33.309 10.805 5.430 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -30.860 11.319 5.674 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -31.066 12.689 4.601 1.00 0.00 H new ATOM 18 N LYS A 2 -30.113 9.628 3.669 1.00 0.00 N ATOM 19 CA LYS A 2 -29.003 8.852 4.141 1.00 0.00 C ATOM 20 C LYS A 2 -27.895 9.836 4.438 1.00 0.00 C ATOM 21 O LYS A 2 -27.949 10.973 3.954 1.00 0.00 O ATOM 22 CB LYS A 2 -28.549 7.804 3.105 1.00 0.00 C ATOM 23 CG LYS A 2 -27.995 8.373 1.809 1.00 0.00 C ATOM 24 CD LYS A 2 -27.476 7.267 0.915 1.00 0.00 C ATOM 25 CE LYS A 2 -26.766 7.828 -0.305 1.00 0.00 C ATOM 26 NZ LYS A 2 -26.211 6.759 -1.146 1.00 0.00 N ATOM 0 H LYS A 2 -29.847 10.364 3.015 1.00 0.00 H new ATOM 0 HA LYS A 2 -29.283 8.286 5.029 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -27.787 7.172 3.561 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -29.396 7.160 2.868 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -28.774 8.931 1.290 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -27.192 9.076 2.029 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -26.790 6.634 1.478 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -28.305 6.635 0.597 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -27.464 8.427 -0.890 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -25.964 8.494 0.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -25.734 7.178 -1.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -25.526 6.203 -0.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -26.980 6.138 -1.470 1.00 0.00 H new ATOM 40 N LYS A 3 -26.928 9.460 5.218 1.00 0.00 N ATOM 41 CA LYS A 3 -25.878 10.393 5.558 1.00 0.00 C ATOM 42 C LYS A 3 -24.566 10.008 4.919 1.00 0.00 C ATOM 43 O LYS A 3 -24.208 8.821 4.860 1.00 0.00 O ATOM 44 CB LYS A 3 -25.739 10.573 7.084 1.00 0.00 C ATOM 45 CG LYS A 3 -27.013 11.101 7.768 1.00 0.00 C ATOM 46 CD LYS A 3 -27.533 12.379 7.097 1.00 0.00 C ATOM 47 CE LYS A 3 -26.547 13.533 7.196 1.00 0.00 C ATOM 48 NZ LYS A 3 -26.912 14.636 6.287 1.00 0.00 N ATOM 0 H LYS A 3 -26.837 8.531 5.629 1.00 0.00 H new ATOM 0 HA LYS A 3 -26.166 11.362 5.150 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -25.469 9.616 7.530 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -24.918 11.261 7.286 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -27.787 10.334 7.737 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -26.805 11.301 8.819 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -27.743 12.174 6.047 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -28.476 12.670 7.560 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -26.517 13.900 8.222 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -25.545 13.178 6.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -26.219 15.406 6.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -26.916 14.290 5.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -27.858 14.990 6.533 1.00 0.00 H new ATOM 62 N GLU A 4 -23.881 10.989 4.395 1.00 0.00 N ATOM 63 CA GLU A 4 -22.603 10.788 3.757 1.00 0.00 C ATOM 64 C GLU A 4 -21.524 10.743 4.802 1.00 0.00 C ATOM 65 O GLU A 4 -21.604 11.475 5.812 1.00 0.00 O ATOM 66 CB GLU A 4 -22.288 11.900 2.737 1.00 0.00 C ATOM 67 CG GLU A 4 -23.073 11.850 1.424 1.00 0.00 C ATOM 68 CD GLU A 4 -24.566 11.911 1.590 1.00 0.00 C ATOM 69 OE1 GLU A 4 -25.102 12.992 1.932 1.00 0.00 O ATOM 70 OE2 GLU A 4 -25.246 10.886 1.349 1.00 0.00 O ATOM 0 H GLU A 4 -24.195 11.959 4.398 1.00 0.00 H new ATOM 0 HA GLU A 4 -22.644 9.843 3.216 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -22.474 12.864 3.211 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -21.224 11.860 2.503 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -22.756 12.680 0.793 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -22.816 10.932 0.896 1.00 0.00 H new ATOM 77 N GLN A 5 -20.545 9.871 4.569 1.00 0.00 N ATOM 78 CA GLN A 5 -19.379 9.661 5.433 1.00 0.00 C ATOM 79 C GLN A 5 -19.847 8.971 6.745 1.00 0.00 C ATOM 80 O GLN A 5 -19.741 7.749 6.877 1.00 0.00 O ATOM 81 CB GLN A 5 -18.655 11.029 5.693 1.00 0.00 C ATOM 82 CG GLN A 5 -17.173 10.995 6.105 1.00 0.00 C ATOM 83 CD GLN A 5 -16.887 10.162 7.317 1.00 0.00 C ATOM 84 OE1 GLN A 5 -16.972 10.640 8.452 1.00 0.00 O ATOM 85 NE2 GLN A 5 -16.469 8.955 7.098 1.00 0.00 N ATOM 0 H GLN A 5 -20.539 9.269 3.746 1.00 0.00 H new ATOM 0 HA GLN A 5 -18.652 9.007 4.952 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -18.736 11.627 4.785 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -19.206 11.556 6.472 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -16.585 10.614 5.270 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -16.837 12.015 6.292 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -16.414 8.600 6.144 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -16.195 8.360 7.880 1.00 0.00 H new ATOM 94 N LYS A 6 -20.443 9.765 7.630 1.00 0.00 N ATOM 95 CA LYS A 6 -20.964 9.364 8.947 1.00 0.00 C ATOM 96 C LYS A 6 -19.924 8.616 9.823 1.00 0.00 C ATOM 97 O LYS A 6 -19.254 9.240 10.652 1.00 0.00 O ATOM 98 CB LYS A 6 -22.292 8.597 8.838 1.00 0.00 C ATOM 99 CG LYS A 6 -23.014 8.457 10.165 1.00 0.00 C ATOM 100 CD LYS A 6 -23.429 9.819 10.706 1.00 0.00 C ATOM 101 CE LYS A 6 -23.967 9.735 12.129 1.00 0.00 C ATOM 102 NZ LYS A 6 -25.173 8.896 12.238 1.00 0.00 N ATOM 0 H LYS A 6 -20.586 10.758 7.445 1.00 0.00 H new ATOM 0 HA LYS A 6 -21.175 10.295 9.474 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -22.943 9.110 8.130 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -22.098 7.605 8.431 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -23.895 7.828 10.039 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -22.366 7.958 10.885 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -22.573 10.493 10.683 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -24.191 10.249 10.056 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -23.192 9.334 12.782 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -24.196 10.739 12.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -25.503 8.890 13.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -25.920 9.281 11.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -24.948 7.925 11.942 1.00 0.00 H new ATOM 116 N GLU A 7 -19.782 7.305 9.635 1.00 0.00 N ATOM 117 CA GLU A 7 -18.798 6.544 10.387 1.00 0.00 C ATOM 118 C GLU A 7 -17.413 6.924 9.921 1.00 0.00 C ATOM 119 O GLU A 7 -17.128 6.864 8.720 1.00 0.00 O ATOM 120 CB GLU A 7 -18.968 5.021 10.258 1.00 0.00 C ATOM 121 CG GLU A 7 -20.143 4.392 11.004 1.00 0.00 C ATOM 122 CD GLU A 7 -21.492 4.680 10.414 1.00 0.00 C ATOM 123 OE1 GLU A 7 -21.808 4.125 9.323 1.00 0.00 O ATOM 124 OE2 GLU A 7 -22.284 5.406 11.042 1.00 0.00 O ATOM 0 H GLU A 7 -20.332 6.756 8.974 1.00 0.00 H new ATOM 0 HA GLU A 7 -18.948 6.792 11.438 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -19.069 4.779 9.200 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -18.051 4.546 10.607 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -19.999 3.312 11.035 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -20.131 4.745 12.035 1.00 0.00 H new ATOM 131 N LYS A 8 -16.567 7.315 10.849 1.00 0.00 N ATOM 132 CA LYS A 8 -15.212 7.748 10.540 1.00 0.00 C ATOM 133 C LYS A 8 -14.427 6.687 9.795 1.00 0.00 C ATOM 134 O LYS A 8 -13.828 6.987 8.757 1.00 0.00 O ATOM 135 CB LYS A 8 -14.470 8.182 11.808 1.00 0.00 C ATOM 136 CG LYS A 8 -15.052 9.423 12.444 1.00 0.00 C ATOM 137 CD LYS A 8 -14.355 9.794 13.736 1.00 0.00 C ATOM 138 CE LYS A 8 -14.922 11.091 14.316 1.00 0.00 C ATOM 139 NZ LYS A 8 -16.375 11.008 14.601 1.00 0.00 N ATOM 0 H LYS A 8 -16.795 7.343 11.843 1.00 0.00 H new ATOM 0 HA LYS A 8 -15.298 8.610 9.878 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.492 7.367 12.531 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.423 8.363 11.564 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -14.979 10.255 11.744 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -16.112 9.264 12.640 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -14.471 8.987 14.460 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.286 9.909 13.556 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -14.390 11.335 15.235 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -14.740 11.906 13.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -16.667 11.836 15.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -16.904 10.989 13.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -16.574 10.141 15.139 1.00 0.00 H new ATOM 153 N GLU A 9 -14.479 5.442 10.295 1.00 0.00 N ATOM 154 CA GLU A 9 -13.723 4.317 9.732 1.00 0.00 C ATOM 155 C GLU A 9 -12.246 4.696 9.697 1.00 0.00 C ATOM 156 O GLU A 9 -11.522 4.411 8.733 1.00 0.00 O ATOM 157 CB GLU A 9 -14.243 3.945 8.323 1.00 0.00 C ATOM 158 CG GLU A 9 -15.716 3.532 8.285 1.00 0.00 C ATOM 159 CD GLU A 9 -16.021 2.315 9.128 1.00 0.00 C ATOM 160 OE1 GLU A 9 -15.912 1.175 8.622 1.00 0.00 O ATOM 161 OE2 GLU A 9 -16.392 2.465 10.312 1.00 0.00 O ATOM 0 H GLU A 9 -15.048 5.189 11.103 1.00 0.00 H new ATOM 0 HA GLU A 9 -13.856 3.435 10.358 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -14.099 4.797 7.659 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -13.638 3.128 7.929 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -16.328 4.366 8.629 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -16.003 3.331 7.253 1.00 0.00 H new ATOM 168 N LYS A 10 -11.801 5.302 10.791 1.00 0.00 N ATOM 169 CA LYS A 10 -10.467 5.849 10.899 1.00 0.00 C ATOM 170 C LYS A 10 -9.456 4.747 11.213 1.00 0.00 C ATOM 171 O LYS A 10 -8.242 4.963 11.170 1.00 0.00 O ATOM 172 CB LYS A 10 -10.429 6.940 11.995 1.00 0.00 C ATOM 173 CG LYS A 10 -9.115 7.712 12.073 1.00 0.00 C ATOM 174 CD LYS A 10 -9.074 8.661 13.259 1.00 0.00 C ATOM 175 CE LYS A 10 -7.758 9.439 13.305 1.00 0.00 C ATOM 176 NZ LYS A 10 -6.576 8.550 13.398 1.00 0.00 N ATOM 0 H LYS A 10 -12.366 5.425 11.632 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.198 6.298 9.943 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.240 7.646 11.816 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -10.620 6.473 12.961 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.286 7.008 12.145 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.973 8.278 11.152 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.909 9.359 13.198 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.197 8.097 14.183 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.674 10.058 12.411 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.769 10.114 14.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.734 9.115 13.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.733 7.841 14.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.431 8.069 12.487 1.00 0.00 H new ATOM 190 N LYS A 11 -9.925 3.575 11.517 1.00 0.00 N ATOM 191 CA LYS A 11 -9.016 2.543 11.850 1.00 0.00 C ATOM 192 C LYS A 11 -8.950 1.503 10.757 1.00 0.00 C ATOM 193 O LYS A 11 -9.874 0.711 10.579 1.00 0.00 O ATOM 194 CB LYS A 11 -9.340 1.903 13.205 1.00 0.00 C ATOM 195 CG LYS A 11 -8.212 1.029 13.725 1.00 0.00 C ATOM 196 CD LYS A 11 -6.957 1.865 13.891 1.00 0.00 C ATOM 197 CE LYS A 11 -5.755 1.044 14.281 1.00 0.00 C ATOM 198 NZ LYS A 11 -4.559 1.895 14.415 1.00 0.00 N ATOM 0 H LYS A 11 -10.913 3.321 11.539 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.031 3.001 11.942 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.551 2.688 13.932 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.245 1.303 13.112 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.494 0.584 14.679 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.026 0.208 13.033 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.747 2.387 12.957 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.132 2.628 14.650 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.949 0.532 15.223 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.576 0.274 13.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.744 1.308 14.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.363 2.364 13.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.725 2.614 15.148 1.00 0.00 H new ATOM 212 N GLU A 12 -7.900 1.561 9.998 1.00 0.00 N ATOM 213 CA GLU A 12 -7.578 0.559 9.005 1.00 0.00 C ATOM 214 C GLU A 12 -6.520 -0.366 9.594 1.00 0.00 C ATOM 215 O GLU A 12 -5.328 -0.261 9.322 1.00 0.00 O ATOM 216 CB GLU A 12 -7.151 1.173 7.643 1.00 0.00 C ATOM 217 CG GLU A 12 -6.792 2.674 7.658 1.00 0.00 C ATOM 218 CD GLU A 12 -5.640 3.043 8.571 1.00 0.00 C ATOM 219 OE1 GLU A 12 -4.473 3.043 8.126 1.00 0.00 O ATOM 220 OE2 GLU A 12 -5.884 3.367 9.746 1.00 0.00 O ATOM 0 H GLU A 12 -7.221 2.321 10.046 1.00 0.00 H new ATOM 0 HA GLU A 12 -8.473 -0.017 8.770 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.290 0.618 7.271 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.961 1.021 6.929 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.546 2.985 6.642 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -7.673 3.241 7.960 1.00 0.00 H new ATOM 227 N GLN A 13 -6.982 -1.216 10.464 1.00 0.00 N ATOM 228 CA GLN A 13 -6.146 -2.054 11.290 1.00 0.00 C ATOM 229 C GLN A 13 -5.864 -3.402 10.632 1.00 0.00 C ATOM 230 O GLN A 13 -4.953 -4.119 11.042 1.00 0.00 O ATOM 231 CB GLN A 13 -6.857 -2.215 12.631 1.00 0.00 C ATOM 232 CG GLN A 13 -6.112 -2.933 13.734 1.00 0.00 C ATOM 233 CD GLN A 13 -6.960 -2.990 14.987 1.00 0.00 C ATOM 234 OE1 GLN A 13 -8.190 -3.025 14.906 1.00 0.00 O ATOM 235 NE2 GLN A 13 -6.346 -2.983 16.132 1.00 0.00 N ATOM 0 H GLN A 13 -7.979 -1.353 10.627 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.170 -1.591 11.432 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.120 -1.221 12.994 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.792 -2.747 12.454 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.857 -3.943 13.413 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.174 -2.419 13.944 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.327 -2.954 16.164 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.883 -3.007 16.999 1.00 0.00 H new ATOM 244 N GLU A 14 -6.596 -3.702 9.576 1.00 0.00 N ATOM 245 CA GLU A 14 -6.508 -5.006 8.918 1.00 0.00 C ATOM 246 C GLU A 14 -5.129 -5.268 8.340 1.00 0.00 C ATOM 247 O GLU A 14 -4.613 -6.381 8.433 1.00 0.00 O ATOM 248 CB GLU A 14 -7.583 -5.181 7.850 1.00 0.00 C ATOM 249 CG GLU A 14 -8.991 -5.125 8.396 1.00 0.00 C ATOM 250 CD GLU A 14 -10.028 -5.437 7.355 1.00 0.00 C ATOM 251 OE1 GLU A 14 -10.301 -6.628 7.122 1.00 0.00 O ATOM 252 OE2 GLU A 14 -10.626 -4.503 6.776 1.00 0.00 O ATOM 0 H GLU A 14 -7.264 -3.061 9.148 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.685 -5.750 9.695 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.464 -4.404 7.095 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.434 -6.138 7.349 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.085 -5.832 9.220 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.179 -4.132 8.804 1.00 0.00 H new ATOM 259 N ILE A 15 -4.507 -4.244 7.792 1.00 0.00 N ATOM 260 CA ILE A 15 -3.164 -4.396 7.247 1.00 0.00 C ATOM 261 C ILE A 15 -2.137 -4.671 8.372 1.00 0.00 C ATOM 262 O ILE A 15 -1.136 -5.377 8.164 1.00 0.00 O ATOM 263 CB ILE A 15 -2.696 -3.175 6.421 1.00 0.00 C ATOM 264 CG1 ILE A 15 -2.581 -1.952 7.298 1.00 0.00 C ATOM 265 CG2 ILE A 15 -3.661 -2.903 5.269 1.00 0.00 C ATOM 266 CD1 ILE A 15 -1.540 -1.008 6.818 1.00 0.00 C ATOM 0 H ILE A 15 -4.900 -3.306 7.710 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.217 -5.250 6.571 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.713 -3.403 6.008 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.543 -1.441 7.332 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.347 -2.260 8.317 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.314 -2.040 4.700 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.703 -3.775 4.616 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.655 -2.699 5.667 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.497 -0.145 7.483 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.572 -1.508 6.809 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.786 -0.677 5.809 1.00 0.00 H new ATOM 278 N LYS A 16 -2.423 -4.158 9.580 1.00 0.00 N ATOM 279 CA LYS A 16 -1.565 -4.357 10.755 1.00 0.00 C ATOM 280 C LYS A 16 -1.776 -5.738 11.339 1.00 0.00 C ATOM 281 O LYS A 16 -1.073 -6.156 12.255 1.00 0.00 O ATOM 282 CB LYS A 16 -1.777 -3.264 11.836 1.00 0.00 C ATOM 283 CG LYS A 16 -0.954 -1.971 11.664 1.00 0.00 C ATOM 284 CD LYS A 16 -1.198 -1.268 10.345 1.00 0.00 C ATOM 285 CE LYS A 16 -0.375 0.019 10.209 1.00 0.00 C ATOM 286 NZ LYS A 16 -0.862 1.109 11.086 1.00 0.00 N ATOM 0 H LYS A 16 -3.253 -3.596 9.767 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.533 -4.270 10.416 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.834 -2.998 11.853 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.541 -3.694 12.809 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.191 -1.288 12.480 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.106 -2.211 11.748 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.951 -1.943 9.525 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.258 -1.030 10.254 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.667 -0.195 10.448 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.402 0.354 9.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.269 1.953 10.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.847 1.336 10.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.812 0.804 12.079 1.00 0.00 H new ATOM 300 N LYS A 17 -2.749 -6.418 10.815 1.00 0.00 N ATOM 301 CA LYS A 17 -3.020 -7.787 11.174 1.00 0.00 C ATOM 302 C LYS A 17 -2.432 -8.705 10.121 1.00 0.00 C ATOM 303 O LYS A 17 -2.015 -9.822 10.411 1.00 0.00 O ATOM 304 CB LYS A 17 -4.522 -8.016 11.229 1.00 0.00 C ATOM 305 CG LYS A 17 -5.243 -7.190 12.255 1.00 0.00 C ATOM 306 CD LYS A 17 -6.731 -7.366 12.120 1.00 0.00 C ATOM 307 CE LYS A 17 -7.470 -6.612 13.192 1.00 0.00 C ATOM 308 NZ LYS A 17 -8.927 -6.690 12.993 1.00 0.00 N ATOM 0 H LYS A 17 -3.388 -6.038 10.117 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.578 -7.995 12.148 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.945 -7.803 10.247 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.708 -9.070 11.434 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.925 -7.483 13.256 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.982 -6.139 12.133 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.053 -7.017 11.139 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.981 -8.425 12.179 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.212 -7.019 14.170 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.156 -5.568 13.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.409 -6.161 13.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.174 -6.279 12.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.228 -7.685 13.021 1.00 0.00 H new ATOM 322 N LYS A 18 -2.381 -8.207 8.902 1.00 0.00 N ATOM 323 CA LYS A 18 -1.963 -8.999 7.780 1.00 0.00 C ATOM 324 C LYS A 18 -0.458 -9.017 7.659 1.00 0.00 C ATOM 325 O LYS A 18 0.162 -10.060 7.834 1.00 0.00 O ATOM 326 CB LYS A 18 -2.568 -8.456 6.505 1.00 0.00 C ATOM 327 CG LYS A 18 -2.895 -9.523 5.476 1.00 0.00 C ATOM 328 CD LYS A 18 -4.041 -10.392 5.971 1.00 0.00 C ATOM 329 CE LYS A 18 -5.289 -9.548 6.236 1.00 0.00 C ATOM 330 NZ LYS A 18 -6.381 -10.338 6.828 1.00 0.00 N ATOM 0 H LYS A 18 -2.628 -7.245 8.669 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.310 -10.020 7.941 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.479 -7.911 6.750 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.876 -7.739 6.063 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.165 -9.056 4.529 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.016 -10.139 5.288 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.267 -11.160 5.231 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.744 -10.907 6.885 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.034 -8.726 6.905 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.630 -9.104 5.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -7.205 -9.725 6.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.644 -11.107 6.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.066 -10.741 7.734 1.00 0.00 H new ATOM 344 N PHE A 19 0.150 -7.864 7.374 1.00 0.00 N ATOM 345 CA PHE A 19 1.585 -7.842 7.237 1.00 0.00 C ATOM 346 C PHE A 19 2.163 -7.637 8.641 1.00 0.00 C ATOM 347 O PHE A 19 3.244 -8.115 8.966 1.00 0.00 O ATOM 348 CB PHE A 19 2.015 -6.716 6.261 1.00 0.00 C ATOM 349 CG PHE A 19 3.272 -7.006 5.473 1.00 0.00 C ATOM 350 CD1 PHE A 19 4.497 -7.085 6.087 1.00 0.00 C ATOM 351 CD2 PHE A 19 3.213 -7.181 4.099 1.00 0.00 C ATOM 352 CE1 PHE A 19 5.640 -7.330 5.355 1.00 0.00 C ATOM 353 CE2 PHE A 19 4.361 -7.418 3.366 1.00 0.00 C ATOM 354 CZ PHE A 19 5.579 -7.490 3.997 1.00 0.00 C ATOM 0 H PHE A 19 -0.319 -6.968 7.240 1.00 0.00 H new ATOM 0 HA PHE A 19 1.961 -8.774 6.815 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.200 -6.529 5.562 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.163 -5.798 6.830 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.567 -6.954 7.157 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.259 -7.132 3.595 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.593 -7.396 5.859 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.300 -7.547 2.295 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.479 -7.671 3.428 1.00 0.00 H new ATOM 364 N LYS A 20 1.349 -6.964 9.479 1.00 0.00 N ATOM 365 CA LYS A 20 1.651 -6.676 10.884 1.00 0.00 C ATOM 366 C LYS A 20 2.871 -5.786 11.022 1.00 0.00 C ATOM 367 O LYS A 20 4.010 -6.243 11.167 1.00 0.00 O ATOM 368 CB LYS A 20 1.714 -7.949 11.766 1.00 0.00 C ATOM 369 CG LYS A 20 1.954 -7.667 13.247 1.00 0.00 C ATOM 370 CD LYS A 20 1.854 -8.924 14.107 1.00 0.00 C ATOM 371 CE LYS A 20 0.431 -9.472 14.159 1.00 0.00 C ATOM 372 NZ LYS A 20 0.325 -10.658 15.036 1.00 0.00 N ATOM 0 H LYS A 20 0.443 -6.600 9.184 1.00 0.00 H new ATOM 0 HA LYS A 20 0.808 -6.108 11.278 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.780 -8.500 11.658 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.510 -8.596 11.396 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.941 -7.222 13.373 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.227 -6.934 13.596 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.522 -9.688 13.710 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.192 -8.699 15.118 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.244 -8.695 14.518 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.107 -9.736 13.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.658 -10.998 15.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.949 -11.410 14.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.609 -10.401 16.003 1.00 0.00 H new ATOM 386 N LEU A 21 2.618 -4.504 10.942 1.00 0.00 N ATOM 387 CA LEU A 21 3.669 -3.525 10.928 1.00 0.00 C ATOM 388 C LEU A 21 3.955 -3.008 12.321 1.00 0.00 C ATOM 389 O LEU A 21 5.062 -3.141 12.821 1.00 0.00 O ATOM 390 CB LEU A 21 3.335 -2.359 9.964 1.00 0.00 C ATOM 391 CG LEU A 21 2.982 -2.734 8.490 1.00 0.00 C ATOM 392 CD1 LEU A 21 3.919 -3.791 7.948 1.00 0.00 C ATOM 393 CD2 LEU A 21 1.518 -3.162 8.306 1.00 0.00 C ATOM 0 H LEU A 21 1.678 -4.112 10.885 1.00 0.00 H new ATOM 0 HA LEU A 21 4.571 -4.016 10.562 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.495 -1.804 10.382 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.188 -1.680 9.946 1.00 0.00 H new ATOM 0 HG LEU A 21 3.115 -1.820 7.912 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.644 -4.028 6.920 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.943 -3.417 7.973 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.846 -4.690 8.560 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.340 -3.409 7.259 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.314 -4.036 8.925 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.860 -2.345 8.603 1.00 0.00 H new ATOM 405 N THR A 22 2.939 -2.451 12.938 1.00 0.00 N ATOM 406 CA THR A 22 2.993 -1.883 14.285 1.00 0.00 C ATOM 407 C THR A 22 4.088 -0.831 14.478 1.00 0.00 C ATOM 408 O THR A 22 5.204 -1.124 14.924 1.00 0.00 O ATOM 409 CB THR A 22 2.969 -2.945 15.418 1.00 0.00 C ATOM 410 OG1 THR A 22 3.984 -3.943 15.222 1.00 0.00 O ATOM 411 CG2 THR A 22 1.620 -3.617 15.447 1.00 0.00 C ATOM 0 H THR A 22 2.016 -2.373 12.510 1.00 0.00 H new ATOM 0 HA THR A 22 2.054 -1.338 14.377 1.00 0.00 H new ATOM 0 HB THR A 22 3.162 -2.436 16.362 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.804 -3.516 14.895 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.602 -4.363 16.242 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.846 -2.872 15.631 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.435 -4.103 14.489 1.00 0.00 H new ATOM 419 N GLY A 23 3.768 0.366 14.096 1.00 0.00 N ATOM 420 CA GLY A 23 4.677 1.469 14.210 1.00 0.00 C ATOM 421 C GLY A 23 4.569 2.351 13.001 1.00 0.00 C ATOM 422 O GLY A 23 4.003 1.913 11.993 1.00 0.00 O ATOM 0 H GLY A 23 2.863 0.609 13.693 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.454 2.043 15.110 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.698 1.101 14.311 1.00 0.00 H new ATOM 426 N PRO A 24 5.046 3.603 13.067 1.00 0.00 N ATOM 427 CA PRO A 24 5.038 4.506 11.919 1.00 0.00 C ATOM 428 C PRO A 24 5.938 3.947 10.830 1.00 0.00 C ATOM 429 O PRO A 24 7.162 3.881 10.992 1.00 0.00 O ATOM 430 CB PRO A 24 5.609 5.822 12.473 1.00 0.00 C ATOM 431 CG PRO A 24 5.475 5.700 13.953 1.00 0.00 C ATOM 432 CD PRO A 24 5.623 4.240 14.256 1.00 0.00 C ATOM 0 HA PRO A 24 4.049 4.639 11.481 1.00 0.00 H new ATOM 0 HB2 PRO A 24 6.650 5.956 12.179 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.058 6.683 12.095 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.239 6.285 14.465 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.508 6.074 14.290 1.00 0.00 H new ATOM 0 HD2 PRO A 24 6.667 3.960 14.399 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.090 3.959 15.165 1.00 0.00 H new ATOM 440 N ILE A 25 5.344 3.487 9.770 1.00 0.00 N ATOM 441 CA ILE A 25 6.080 2.841 8.719 1.00 0.00 C ATOM 442 C ILE A 25 6.410 3.835 7.606 1.00 0.00 C ATOM 443 O ILE A 25 5.516 4.462 7.024 1.00 0.00 O ATOM 444 CB ILE A 25 5.333 1.566 8.182 1.00 0.00 C ATOM 445 CG1 ILE A 25 6.132 0.862 7.081 1.00 0.00 C ATOM 446 CG2 ILE A 25 3.910 1.870 7.718 1.00 0.00 C ATOM 447 CD1 ILE A 25 7.466 0.323 7.548 1.00 0.00 C ATOM 0 H ILE A 25 4.339 3.547 9.607 1.00 0.00 H new ATOM 0 HA ILE A 25 7.024 2.487 9.133 1.00 0.00 H new ATOM 0 HB ILE A 25 5.252 0.883 9.027 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.538 0.040 6.682 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.299 1.561 6.262 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.441 0.954 7.357 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.333 2.269 8.552 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.939 2.604 6.913 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.974 -0.162 6.715 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.080 1.143 7.920 1.00 0.00 H new ATOM 0 HD13 ILE A 25 7.306 -0.402 8.346 1.00 0.00 H new ATOM 459 N GLN A 26 7.684 4.027 7.363 1.00 0.00 N ATOM 460 CA GLN A 26 8.137 4.939 6.334 1.00 0.00 C ATOM 461 C GLN A 26 8.197 4.225 5.004 1.00 0.00 C ATOM 462 O GLN A 26 8.148 2.996 4.955 1.00 0.00 O ATOM 463 CB GLN A 26 9.543 5.466 6.641 1.00 0.00 C ATOM 464 CG GLN A 26 10.649 4.417 6.534 1.00 0.00 C ATOM 465 CD GLN A 26 12.022 5.015 6.672 1.00 0.00 C ATOM 466 OE1 GLN A 26 12.559 5.112 7.776 1.00 0.00 O ATOM 467 NE2 GLN A 26 12.605 5.412 5.571 1.00 0.00 N ATOM 0 H GLN A 26 8.436 3.559 7.869 1.00 0.00 H new ATOM 0 HA GLN A 26 7.432 5.770 6.300 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.768 6.284 5.957 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.550 5.882 7.649 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.505 3.662 7.307 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.572 3.909 5.573 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.126 5.314 4.676 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.539 5.820 5.607 1.00 0.00 H new ATOM 476 N VAL A 27 8.314 4.982 3.946 1.00 0.00 N ATOM 477 CA VAL A 27 8.523 4.404 2.656 1.00 0.00 C ATOM 478 C VAL A 27 9.994 4.034 2.530 1.00 0.00 C ATOM 479 O VAL A 27 10.882 4.752 3.027 1.00 0.00 O ATOM 480 CB VAL A 27 8.083 5.343 1.481 1.00 0.00 C ATOM 481 CG1 VAL A 27 8.856 6.642 1.455 1.00 0.00 C ATOM 482 CG2 VAL A 27 8.230 4.649 0.152 1.00 0.00 C ATOM 0 H VAL A 27 8.267 6.001 3.957 1.00 0.00 H new ATOM 0 HA VAL A 27 7.894 3.517 2.574 1.00 0.00 H new ATOM 0 HB VAL A 27 7.034 5.580 1.657 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.511 7.254 0.622 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.697 7.179 2.390 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.919 6.431 1.334 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.918 5.322 -0.646 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.272 4.367 0.002 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.606 3.755 0.137 1.00 0.00 H new ATOM 492 N ILE A 28 10.241 2.916 1.946 1.00 0.00 N ATOM 493 CA ILE A 28 11.575 2.436 1.763 1.00 0.00 C ATOM 494 C ILE A 28 12.059 2.797 0.360 1.00 0.00 C ATOM 495 O ILE A 28 13.189 3.246 0.178 1.00 0.00 O ATOM 496 CB ILE A 28 11.643 0.894 1.975 1.00 0.00 C ATOM 497 CG1 ILE A 28 11.145 0.511 3.383 1.00 0.00 C ATOM 498 CG2 ILE A 28 13.047 0.358 1.739 1.00 0.00 C ATOM 499 CD1 ILE A 28 11.917 1.150 4.529 1.00 0.00 C ATOM 0 H ILE A 28 9.519 2.298 1.576 1.00 0.00 H new ATOM 0 HA ILE A 28 12.222 2.908 2.502 1.00 0.00 H new ATOM 0 HB ILE A 28 10.984 0.433 1.239 1.00 0.00 H new ATOM 0 HG12 ILE A 28 10.095 0.791 3.470 1.00 0.00 H new ATOM 0 HG13 ILE A 28 11.196 -0.573 3.489 1.00 0.00 H new ATOM 0 HG21 ILE A 28 13.056 -0.721 1.896 1.00 0.00 H new ATOM 0 HG22 ILE A 28 13.353 0.578 0.716 1.00 0.00 H new ATOM 0 HG23 ILE A 28 13.739 0.832 2.435 1.00 0.00 H new ATOM 0 HD11 ILE A 28 11.495 0.822 5.479 1.00 0.00 H new ATOM 0 HD12 ILE A 28 12.964 0.851 4.474 1.00 0.00 H new ATOM 0 HD13 ILE A 28 11.846 2.235 4.455 1.00 0.00 H new ATOM 511 N HIS A 29 11.181 2.661 -0.621 1.00 0.00 N ATOM 512 CA HIS A 29 11.525 2.878 -2.040 1.00 0.00 C ATOM 513 C HIS A 29 10.263 3.130 -2.808 1.00 0.00 C ATOM 514 O HIS A 29 9.175 2.860 -2.307 1.00 0.00 O ATOM 515 CB HIS A 29 12.219 1.646 -2.692 1.00 0.00 C ATOM 516 CG HIS A 29 13.634 1.350 -2.259 1.00 0.00 C ATOM 517 ND1 HIS A 29 14.016 0.144 -1.706 1.00 0.00 N ATOM 518 CD2 HIS A 29 14.764 2.092 -2.337 1.00 0.00 C ATOM 519 CE1 HIS A 29 15.310 0.166 -1.467 1.00 0.00 C ATOM 520 NE2 HIS A 29 15.789 1.332 -1.836 1.00 0.00 N ATOM 0 H HIS A 29 10.207 2.398 -0.469 1.00 0.00 H new ATOM 0 HA HIS A 29 12.215 3.722 -2.073 1.00 0.00 H new ATOM 0 HB2 HIS A 29 11.610 0.766 -2.486 1.00 0.00 H new ATOM 0 HB3 HIS A 29 12.218 1.789 -3.773 1.00 0.00 H new ATOM 0 HD2 HIS A 29 14.843 3.098 -2.723 1.00 0.00 H new ATOM 0 HE1 HIS A 29 15.884 -0.642 -1.038 1.00 0.00 H new ATOM 0 HE2 HIS A 29 16.763 1.624 -1.762 1.00 0.00 H new ATOM 529 N LEU A 30 10.387 3.604 -4.006 1.00 0.00 N ATOM 530 CA LEU A 30 9.227 3.835 -4.819 1.00 0.00 C ATOM 531 C LEU A 30 9.177 2.800 -5.916 1.00 0.00 C ATOM 532 O LEU A 30 10.074 2.714 -6.749 1.00 0.00 O ATOM 533 CB LEU A 30 9.189 5.260 -5.423 1.00 0.00 C ATOM 534 CG LEU A 30 9.135 6.463 -4.451 1.00 0.00 C ATOM 535 CD1 LEU A 30 7.975 6.342 -3.483 1.00 0.00 C ATOM 536 CD2 LEU A 30 10.452 6.672 -3.712 1.00 0.00 C ATOM 0 H LEU A 30 11.276 3.840 -4.446 1.00 0.00 H new ATOM 0 HA LEU A 30 8.351 3.749 -4.176 1.00 0.00 H new ATOM 0 HB2 LEU A 30 10.071 5.379 -6.052 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.320 5.321 -6.078 1.00 0.00 H new ATOM 0 HG LEU A 30 8.971 7.351 -5.062 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.967 7.203 -2.815 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.039 6.306 -4.040 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.084 5.429 -2.897 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.362 7.528 -3.043 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.689 5.781 -3.131 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.248 6.857 -4.433 1.00 0.00 H new ATOM 548 N ALA A 31 8.163 2.001 -5.887 1.00 0.00 N ATOM 549 CA ALA A 31 7.957 0.976 -6.897 1.00 0.00 C ATOM 550 C ALA A 31 7.154 1.481 -8.063 1.00 0.00 C ATOM 551 O ALA A 31 6.442 2.478 -7.986 1.00 0.00 O ATOM 552 CB ALA A 31 7.300 -0.282 -6.344 1.00 0.00 C ATOM 0 H ALA A 31 7.442 2.028 -5.166 1.00 0.00 H new ATOM 0 HA ALA A 31 8.958 0.715 -7.240 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.173 -1.009 -7.146 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.930 -0.709 -5.564 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.326 -0.030 -5.926 1.00 0.00 H new ATOM 558 N LYS A 32 7.311 0.815 -9.135 1.00 0.00 N ATOM 559 CA LYS A 32 6.584 1.065 -10.321 1.00 0.00 C ATOM 560 C LYS A 32 5.601 -0.051 -10.503 1.00 0.00 C ATOM 561 O LYS A 32 5.975 -1.223 -10.406 1.00 0.00 O ATOM 562 CB LYS A 32 7.536 1.127 -11.508 1.00 0.00 C ATOM 563 CG LYS A 32 6.865 1.251 -12.878 1.00 0.00 C ATOM 564 CD LYS A 32 7.894 1.269 -13.991 1.00 0.00 C ATOM 565 CE LYS A 32 8.677 -0.035 -14.054 1.00 0.00 C ATOM 566 NZ LYS A 32 9.786 0.040 -15.022 1.00 0.00 N ATOM 0 H LYS A 32 7.977 0.047 -9.219 1.00 0.00 H new ATOM 0 HA LYS A 32 6.061 2.019 -10.254 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.206 1.976 -11.372 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.154 0.229 -11.504 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.179 0.417 -13.027 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.270 2.164 -12.914 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.395 1.441 -14.945 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.582 2.100 -13.837 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.072 -0.270 -13.066 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.007 -0.849 -14.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.296 -0.866 -15.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.407 0.239 -15.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.439 0.800 -14.744 1.00 0.00 H new ATOM 580 N ALA A 33 4.354 0.288 -10.660 1.00 0.00 N ATOM 581 CA ALA A 33 3.373 -0.680 -11.020 1.00 0.00 C ATOM 582 C ALA A 33 3.657 -1.142 -12.425 1.00 0.00 C ATOM 583 O ALA A 33 3.514 -0.362 -13.377 1.00 0.00 O ATOM 584 CB ALA A 33 2.010 -0.081 -10.975 1.00 0.00 C ATOM 0 H ALA A 33 3.996 1.236 -10.542 1.00 0.00 H new ATOM 0 HA ALA A 33 3.414 -1.515 -10.320 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.272 -0.834 -11.253 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.802 0.276 -9.966 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.956 0.754 -11.673 1.00 0.00 H new ATOM 590 N CYS A 34 4.096 -2.354 -12.554 1.00 0.00 N ATOM 591 CA CYS A 34 4.415 -2.910 -13.860 1.00 0.00 C ATOM 592 C CYS A 34 3.175 -3.463 -14.561 1.00 0.00 C ATOM 593 O CYS A 34 3.232 -3.864 -15.730 1.00 0.00 O ATOM 594 CB CYS A 34 5.495 -3.969 -13.722 1.00 0.00 C ATOM 595 SG CYS A 34 6.995 -3.335 -12.951 1.00 0.00 S ATOM 0 H CYS A 34 4.247 -2.993 -11.773 1.00 0.00 H new ATOM 0 HA CYS A 34 4.795 -2.105 -14.490 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.110 -4.800 -13.130 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.738 -4.365 -14.708 1.00 0.00 H new ATOM 0 HG CYS A 34 8.035 -3.852 -13.535 1.00 0.00 H new ATOM 601 N CYS A 35 2.064 -3.467 -13.864 1.00 0.00 N ATOM 602 CA CYS A 35 0.823 -3.931 -14.414 1.00 0.00 C ATOM 603 C CYS A 35 -0.330 -3.292 -13.672 1.00 0.00 C ATOM 604 O CYS A 35 -0.158 -2.841 -12.533 1.00 0.00 O ATOM 605 CB CYS A 35 0.743 -5.462 -14.315 1.00 0.00 C ATOM 606 SG CYS A 35 0.984 -6.113 -12.642 1.00 0.00 S ATOM 0 H CYS A 35 2.000 -3.147 -12.898 1.00 0.00 H new ATOM 0 HA CYS A 35 0.766 -3.650 -15.466 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.230 -5.788 -14.683 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.495 -5.897 -14.974 1.00 0.00 H new ATOM 0 HG CYS A 35 1.955 -5.472 -12.063 1.00 0.00 H new ATOM 612 N ASP A 36 -1.466 -3.186 -14.328 1.00 0.00 N ATOM 613 CA ASP A 36 -2.674 -2.712 -13.677 1.00 0.00 C ATOM 614 C ASP A 36 -3.297 -3.879 -12.960 1.00 0.00 C ATOM 615 O ASP A 36 -3.718 -4.872 -13.562 1.00 0.00 O ATOM 616 CB ASP A 36 -3.683 -2.026 -14.653 1.00 0.00 C ATOM 617 CG ASP A 36 -4.338 -2.937 -15.682 1.00 0.00 C ATOM 618 OD1 ASP A 36 -3.657 -3.353 -16.662 1.00 0.00 O ATOM 619 OD2 ASP A 36 -5.549 -3.237 -15.552 1.00 0.00 O ATOM 0 H ASP A 36 -1.581 -3.422 -15.314 1.00 0.00 H new ATOM 0 HA ASP A 36 -2.404 -1.927 -12.971 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.468 -1.555 -14.061 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.161 -1.229 -15.182 1.00 0.00 H new ATOM 624 N VAL A 37 -3.254 -3.823 -11.691 1.00 0.00 N ATOM 625 CA VAL A 37 -3.743 -4.886 -10.885 1.00 0.00 C ATOM 626 C VAL A 37 -4.979 -4.374 -10.115 1.00 0.00 C ATOM 627 O VAL A 37 -5.151 -3.155 -9.961 1.00 0.00 O ATOM 628 CB VAL A 37 -2.623 -5.381 -9.967 1.00 0.00 C ATOM 629 CG1 VAL A 37 -2.475 -4.528 -8.767 1.00 0.00 C ATOM 630 CG2 VAL A 37 -2.747 -6.839 -9.640 1.00 0.00 C ATOM 0 H VAL A 37 -2.876 -3.034 -11.167 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.054 -5.741 -11.486 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.692 -5.287 -10.526 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.669 -4.915 -8.143 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.240 -3.508 -9.072 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.406 -4.532 -8.201 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.927 -7.136 -8.986 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.696 -7.019 -9.136 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.708 -7.423 -10.560 1.00 0.00 H new ATOM 640 N LYS A 38 -5.817 -5.261 -9.621 1.00 0.00 N ATOM 641 CA LYS A 38 -7.112 -4.835 -9.081 1.00 0.00 C ATOM 642 C LYS A 38 -7.187 -5.045 -7.608 1.00 0.00 C ATOM 643 O LYS A 38 -8.196 -4.721 -6.972 1.00 0.00 O ATOM 644 CB LYS A 38 -8.213 -5.630 -9.758 1.00 0.00 C ATOM 645 CG LYS A 38 -7.990 -5.731 -11.236 1.00 0.00 C ATOM 646 CD LYS A 38 -8.061 -4.367 -11.919 1.00 0.00 C ATOM 647 CE LYS A 38 -9.464 -3.791 -11.893 1.00 0.00 C ATOM 648 NZ LYS A 38 -9.473 -2.371 -12.276 1.00 0.00 N ATOM 0 H LYS A 38 -5.640 -6.265 -9.577 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.232 -3.769 -9.275 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.258 -6.630 -9.327 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.176 -5.156 -9.566 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.016 -6.181 -11.426 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.738 -6.394 -11.671 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.377 -3.678 -11.424 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.727 -4.461 -12.952 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.103 -4.356 -12.572 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.885 -3.902 -10.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.448 -2.010 -12.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.883 -1.829 -11.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.094 -2.269 -13.239 1.00 0.00 H new ATOM 662 N GLY A 39 -6.135 -5.541 -7.051 1.00 0.00 N ATOM 663 CA GLY A 39 -6.126 -5.809 -5.663 1.00 0.00 C ATOM 664 C GLY A 39 -6.885 -7.058 -5.335 1.00 0.00 C ATOM 665 O GLY A 39 -7.905 -7.026 -4.622 1.00 0.00 O ATOM 0 H GLY A 39 -5.270 -5.768 -7.542 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.097 -5.907 -5.318 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.563 -4.966 -5.127 1.00 0.00 H new ATOM 669 N GLY A 40 -6.418 -8.132 -5.876 1.00 0.00 N ATOM 670 CA GLY A 40 -7.091 -9.383 -5.776 1.00 0.00 C ATOM 671 C GLY A 40 -6.408 -10.295 -4.813 1.00 0.00 C ATOM 672 O GLY A 40 -5.207 -10.600 -4.981 1.00 0.00 O ATOM 0 H GLY A 40 -5.548 -8.167 -6.407 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.120 -9.219 -5.456 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.133 -9.854 -6.758 1.00 0.00 H new ATOM 676 N LYS A 41 -7.164 -10.723 -3.816 1.00 0.00 N ATOM 677 CA LYS A 41 -6.706 -11.609 -2.760 1.00 0.00 C ATOM 678 C LYS A 41 -5.591 -10.947 -1.948 1.00 0.00 C ATOM 679 O LYS A 41 -4.398 -11.280 -2.078 1.00 0.00 O ATOM 680 CB LYS A 41 -6.316 -12.987 -3.325 1.00 0.00 C ATOM 681 CG LYS A 41 -5.936 -14.044 -2.300 1.00 0.00 C ATOM 682 CD LYS A 41 -5.714 -15.380 -2.983 1.00 0.00 C ATOM 683 CE LYS A 41 -4.586 -15.307 -4.001 1.00 0.00 C ATOM 684 NZ LYS A 41 -4.487 -16.546 -4.790 1.00 0.00 N ATOM 0 H LYS A 41 -8.143 -10.455 -3.716 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.527 -11.791 -2.066 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.151 -13.365 -3.915 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.477 -12.853 -4.008 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.031 -13.742 -1.774 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.724 -14.136 -1.552 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.481 -16.138 -2.235 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.633 -15.693 -3.479 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.752 -14.462 -4.669 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.642 -15.126 -3.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.708 -16.461 -5.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.304 -17.349 -4.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.379 -16.705 -5.300 1.00 0.00 H new ATOM 698 N ASN A 42 -6.013 -9.956 -1.161 1.00 0.00 N ATOM 699 CA ASN A 42 -5.144 -9.116 -0.337 1.00 0.00 C ATOM 700 C ASN A 42 -4.033 -8.504 -1.157 1.00 0.00 C ATOM 701 O ASN A 42 -2.892 -8.962 -1.104 1.00 0.00 O ATOM 702 CB ASN A 42 -4.573 -9.830 0.907 1.00 0.00 C ATOM 703 CG ASN A 42 -5.605 -10.169 1.969 1.00 0.00 C ATOM 704 OD1 ASN A 42 -6.652 -9.528 2.082 1.00 0.00 O ATOM 705 ND2 ASN A 42 -5.282 -11.114 2.812 1.00 0.00 N ATOM 0 H ASN A 42 -6.999 -9.709 -1.077 1.00 0.00 H new ATOM 0 HA ASN A 42 -5.787 -8.321 0.041 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -4.082 -10.750 0.589 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.806 -9.197 1.353 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.903 -11.338 3.589 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -4.409 -11.627 2.693 1.00 0.00 H new ATOM 712 N GLU A 43 -4.386 -7.537 -1.970 1.00 0.00 N ATOM 713 CA GLU A 43 -3.451 -6.881 -2.834 1.00 0.00 C ATOM 714 C GLU A 43 -3.863 -5.410 -2.957 1.00 0.00 C ATOM 715 O GLU A 43 -4.933 -5.035 -2.497 1.00 0.00 O ATOM 716 CB GLU A 43 -3.571 -7.587 -4.157 1.00 0.00 C ATOM 717 CG GLU A 43 -2.627 -7.204 -5.244 1.00 0.00 C ATOM 718 CD GLU A 43 -2.846 -8.098 -6.407 1.00 0.00 C ATOM 719 OE1 GLU A 43 -3.927 -8.018 -7.042 1.00 0.00 O ATOM 720 OE2 GLU A 43 -1.973 -8.925 -6.680 1.00 0.00 O ATOM 0 H GLU A 43 -5.340 -7.185 -2.046 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.425 -6.914 -2.469 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.456 -8.656 -3.976 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.585 -7.433 -4.526 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.785 -6.165 -5.532 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.598 -7.285 -4.895 1.00 0.00 H new ATOM 727 N LEU A 44 -3.039 -4.594 -3.558 1.00 0.00 N ATOM 728 CA LEU A 44 -3.362 -3.189 -3.750 1.00 0.00 C ATOM 729 C LEU A 44 -3.869 -3.035 -5.160 1.00 0.00 C ATOM 730 O LEU A 44 -3.526 -3.824 -6.015 1.00 0.00 O ATOM 731 CB LEU A 44 -2.093 -2.339 -3.603 1.00 0.00 C ATOM 732 CG LEU A 44 -2.239 -0.971 -2.892 1.00 0.00 C ATOM 733 CD1 LEU A 44 -0.951 -0.262 -2.901 1.00 0.00 C ATOM 734 CD2 LEU A 44 -3.292 -0.081 -3.486 1.00 0.00 C ATOM 0 H LEU A 44 -2.130 -4.872 -3.929 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.101 -2.868 -3.016 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.354 -2.926 -3.058 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.688 -2.161 -4.599 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.557 -1.198 -1.874 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.061 0.699 -2.399 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.203 -0.860 -2.380 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.632 -0.099 -3.931 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.331 0.857 -2.931 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.049 0.124 -4.529 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.261 -0.576 -3.430 1.00 0.00 H new ATOM 746 N SER A 45 -4.689 -2.065 -5.392 1.00 0.00 N ATOM 747 CA SER A 45 -5.157 -1.812 -6.708 1.00 0.00 C ATOM 748 C SER A 45 -4.381 -0.632 -7.277 1.00 0.00 C ATOM 749 O SER A 45 -4.282 0.414 -6.634 1.00 0.00 O ATOM 750 CB SER A 45 -6.645 -1.520 -6.675 1.00 0.00 C ATOM 751 OG SER A 45 -7.314 -2.431 -5.801 1.00 0.00 O ATOM 0 H SER A 45 -5.050 -1.431 -4.679 1.00 0.00 H new ATOM 0 HA SER A 45 -5.000 -2.684 -7.343 1.00 0.00 H new ATOM 0 HB2 SER A 45 -6.813 -0.496 -6.341 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.060 -1.600 -7.680 1.00 0.00 H new ATOM 0 HG SER A 45 -7.721 -3.151 -6.328 1.00 0.00 H new ATOM 757 N PHE A 46 -3.817 -0.808 -8.439 1.00 0.00 N ATOM 758 CA PHE A 46 -3.023 0.220 -9.072 1.00 0.00 C ATOM 759 C PHE A 46 -2.977 0.003 -10.554 1.00 0.00 C ATOM 760 O PHE A 46 -3.430 -1.029 -11.042 1.00 0.00 O ATOM 761 CB PHE A 46 -1.609 0.304 -8.464 1.00 0.00 C ATOM 762 CG PHE A 46 -0.912 -1.010 -8.278 1.00 0.00 C ATOM 763 CD1 PHE A 46 -0.286 -1.646 -9.333 1.00 0.00 C ATOM 764 CD2 PHE A 46 -0.840 -1.580 -7.025 1.00 0.00 C ATOM 765 CE1 PHE A 46 0.402 -2.825 -9.143 1.00 0.00 C ATOM 766 CE2 PHE A 46 -0.169 -2.758 -6.828 1.00 0.00 C ATOM 767 CZ PHE A 46 0.459 -3.384 -7.886 1.00 0.00 C ATOM 0 H PHE A 46 -3.892 -1.670 -8.980 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.501 1.182 -8.884 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -0.993 0.936 -9.104 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.677 0.801 -7.496 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.337 -1.213 -10.321 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.318 -1.092 -6.189 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.893 -3.307 -9.975 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.131 -3.198 -5.842 1.00 0.00 H new ATOM 0 HZ PHE A 46 0.993 -4.309 -7.728 1.00 0.00 H new ATOM 777 N LYS A 47 -2.453 0.953 -11.262 1.00 0.00 N ATOM 778 CA LYS A 47 -2.372 0.876 -12.694 1.00 0.00 C ATOM 779 C LYS A 47 -0.941 0.942 -13.090 1.00 0.00 C ATOM 780 O LYS A 47 -0.145 1.477 -12.353 1.00 0.00 O ATOM 781 CB LYS A 47 -3.130 2.029 -13.332 1.00 0.00 C ATOM 782 CG LYS A 47 -4.627 1.990 -13.107 1.00 0.00 C ATOM 783 CD LYS A 47 -5.320 3.100 -13.861 1.00 0.00 C ATOM 784 CE LYS A 47 -6.818 3.060 -13.644 1.00 0.00 C ATOM 785 NZ LYS A 47 -7.510 4.114 -14.405 1.00 0.00 N ATOM 0 H LYS A 47 -2.066 1.809 -10.865 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.817 -0.059 -13.033 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.739 2.967 -12.938 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.935 2.027 -14.404 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.021 1.026 -13.429 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.840 2.082 -12.042 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.929 4.064 -13.535 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.102 3.011 -14.925 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.202 2.085 -13.942 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.035 3.177 -12.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.533 4.053 -14.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.162 5.046 -14.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.324 3.988 -15.420 1.00 0.00 H new ATOM 799 N GLN A 48 -0.606 0.386 -14.221 1.00 0.00 N ATOM 800 CA GLN A 48 0.767 0.430 -14.720 1.00 0.00 C ATOM 801 C GLN A 48 1.233 1.908 -14.796 1.00 0.00 C ATOM 802 O GLN A 48 0.559 2.759 -15.395 1.00 0.00 O ATOM 803 CB GLN A 48 0.854 -0.299 -16.088 1.00 0.00 C ATOM 804 CG GLN A 48 2.270 -0.625 -16.601 1.00 0.00 C ATOM 805 CD GLN A 48 3.068 0.574 -17.080 1.00 0.00 C ATOM 806 OE1 GLN A 48 2.509 1.546 -17.586 1.00 0.00 O ATOM 807 NE2 GLN A 48 4.366 0.514 -16.935 1.00 0.00 N ATOM 0 H GLN A 48 -1.259 -0.109 -14.828 1.00 0.00 H new ATOM 0 HA GLN A 48 1.440 -0.093 -14.040 1.00 0.00 H new ATOM 0 HB2 GLN A 48 0.294 -1.231 -16.015 1.00 0.00 H new ATOM 0 HB3 GLN A 48 0.353 0.316 -16.835 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.825 -1.117 -15.803 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.188 -1.339 -17.420 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.794 -0.309 -16.511 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.950 1.290 -17.246 1.00 0.00 H new ATOM 816 N GLY A 49 2.339 2.200 -14.125 1.00 0.00 N ATOM 817 CA GLY A 49 2.868 3.562 -14.074 1.00 0.00 C ATOM 818 C GLY A 49 2.266 4.386 -12.936 1.00 0.00 C ATOM 819 O GLY A 49 2.413 5.605 -12.893 1.00 0.00 O ATOM 0 H GLY A 49 2.889 1.514 -13.608 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.951 3.523 -13.955 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.669 4.060 -15.023 1.00 0.00 H new ATOM 823 N GLU A 50 1.590 3.713 -12.018 1.00 0.00 N ATOM 824 CA GLU A 50 0.912 4.355 -10.870 1.00 0.00 C ATOM 825 C GLU A 50 1.911 5.048 -9.938 1.00 0.00 C ATOM 826 O GLU A 50 1.650 6.138 -9.417 1.00 0.00 O ATOM 827 CB GLU A 50 0.174 3.278 -10.063 1.00 0.00 C ATOM 828 CG GLU A 50 -0.777 3.791 -9.003 1.00 0.00 C ATOM 829 CD GLU A 50 -1.963 4.508 -9.580 1.00 0.00 C ATOM 830 OE1 GLU A 50 -1.851 5.702 -9.897 1.00 0.00 O ATOM 831 OE2 GLU A 50 -3.035 3.904 -9.707 1.00 0.00 O ATOM 0 H GLU A 50 1.487 2.698 -12.036 1.00 0.00 H new ATOM 0 HA GLU A 50 0.223 5.103 -11.262 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.387 2.651 -10.756 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.914 2.639 -9.582 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.124 2.954 -8.398 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.240 4.466 -8.336 1.00 0.00 H new ATOM 838 N GLN A 51 3.049 4.402 -9.787 1.00 0.00 N ATOM 839 CA GLN A 51 4.104 4.749 -8.813 1.00 0.00 C ATOM 840 C GLN A 51 3.614 4.397 -7.422 1.00 0.00 C ATOM 841 O GLN A 51 2.728 5.036 -6.874 1.00 0.00 O ATOM 842 CB GLN A 51 4.579 6.218 -8.864 1.00 0.00 C ATOM 843 CG GLN A 51 5.716 6.512 -7.881 1.00 0.00 C ATOM 844 CD GLN A 51 6.147 7.956 -7.874 1.00 0.00 C ATOM 845 OE1 GLN A 51 7.027 8.364 -8.648 1.00 0.00 O ATOM 846 NE2 GLN A 51 5.590 8.728 -6.983 1.00 0.00 N ATOM 0 H GLN A 51 3.289 3.588 -10.353 1.00 0.00 H new ATOM 0 HA GLN A 51 4.984 4.166 -9.084 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.911 6.452 -9.876 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.737 6.874 -8.644 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.399 6.231 -6.877 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.573 5.887 -8.131 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.870 8.356 -6.364 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.875 9.704 -6.905 1.00 0.00 H new ATOM 855 N ILE A 52 4.166 3.373 -6.891 1.00 0.00 N ATOM 856 CA ILE A 52 3.759 2.828 -5.633 1.00 0.00 C ATOM 857 C ILE A 52 4.887 3.034 -4.655 1.00 0.00 C ATOM 858 O ILE A 52 6.001 3.276 -5.062 1.00 0.00 O ATOM 859 CB ILE A 52 3.506 1.320 -5.831 1.00 0.00 C ATOM 860 CG1 ILE A 52 2.660 1.141 -7.087 1.00 0.00 C ATOM 861 CG2 ILE A 52 2.806 0.700 -4.611 1.00 0.00 C ATOM 862 CD1 ILE A 52 2.304 -0.249 -7.373 1.00 0.00 C ATOM 0 H ILE A 52 4.938 2.868 -7.325 1.00 0.00 H new ATOM 0 HA ILE A 52 2.854 3.307 -5.259 1.00 0.00 H new ATOM 0 HB ILE A 52 4.460 0.804 -5.942 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.746 1.725 -6.983 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.203 1.549 -7.939 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.644 -0.364 -4.786 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.431 0.831 -3.727 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.846 1.192 -4.453 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.703 -0.291 -8.281 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.212 -0.836 -7.511 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.732 -0.657 -6.540 1.00 0.00 H new ATOM 874 N GLU A 53 4.620 2.995 -3.406 1.00 0.00 N ATOM 875 CA GLU A 53 5.669 3.107 -2.443 1.00 0.00 C ATOM 876 C GLU A 53 5.807 1.783 -1.745 1.00 0.00 C ATOM 877 O GLU A 53 4.806 1.199 -1.342 1.00 0.00 O ATOM 878 CB GLU A 53 5.330 4.135 -1.414 1.00 0.00 C ATOM 879 CG GLU A 53 4.757 5.434 -1.952 1.00 0.00 C ATOM 880 CD GLU A 53 4.181 6.294 -0.864 1.00 0.00 C ATOM 881 OE1 GLU A 53 3.026 6.078 -0.475 1.00 0.00 O ATOM 882 OE2 GLU A 53 4.878 7.199 -0.352 1.00 0.00 O ATOM 0 H GLU A 53 3.684 2.886 -3.016 1.00 0.00 H new ATOM 0 HA GLU A 53 6.590 3.394 -2.951 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.612 3.703 -0.717 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.230 4.364 -0.844 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.539 5.986 -2.473 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.982 5.211 -2.685 1.00 0.00 H new ATOM 889 N ILE A 54 7.001 1.290 -1.618 1.00 0.00 N ATOM 890 CA ILE A 54 7.207 0.071 -0.885 1.00 0.00 C ATOM 891 C ILE A 54 7.541 0.451 0.549 1.00 0.00 C ATOM 892 O ILE A 54 8.446 1.258 0.790 1.00 0.00 O ATOM 893 CB ILE A 54 8.324 -0.861 -1.509 1.00 0.00 C ATOM 894 CG1 ILE A 54 8.475 -2.150 -0.731 1.00 0.00 C ATOM 895 CG2 ILE A 54 9.658 -0.190 -1.602 1.00 0.00 C ATOM 896 CD1 ILE A 54 7.286 -3.045 -0.802 1.00 0.00 C ATOM 0 H ILE A 54 7.846 1.707 -2.009 1.00 0.00 H new ATOM 0 HA ILE A 54 6.294 -0.523 -0.930 1.00 0.00 H new ATOM 0 HB ILE A 54 7.983 -1.083 -2.520 1.00 0.00 H new ATOM 0 HG12 ILE A 54 9.345 -2.689 -1.106 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.674 -1.910 0.313 1.00 0.00 H new ATOM 0 HG21 ILE A 54 10.382 -0.879 -2.037 1.00 0.00 H new ATOM 0 HG22 ILE A 54 9.576 0.696 -2.231 1.00 0.00 H new ATOM 0 HG23 ILE A 54 9.989 0.102 -0.605 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.474 -3.947 -0.219 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.416 -2.527 -0.399 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.097 -3.317 -1.840 1.00 0.00 H new ATOM 908 N ILE A 55 6.773 -0.036 1.474 1.00 0.00 N ATOM 909 CA ILE A 55 6.998 0.282 2.866 1.00 0.00 C ATOM 910 C ILE A 55 7.548 -0.898 3.645 1.00 0.00 C ATOM 911 O ILE A 55 8.389 -0.732 4.528 1.00 0.00 O ATOM 912 CB ILE A 55 5.772 0.922 3.589 1.00 0.00 C ATOM 913 CG1 ILE A 55 4.468 0.137 3.345 1.00 0.00 C ATOM 914 CG2 ILE A 55 5.613 2.381 3.172 1.00 0.00 C ATOM 915 CD1 ILE A 55 3.748 0.493 2.064 1.00 0.00 C ATOM 0 H ILE A 55 5.982 -0.656 1.299 1.00 0.00 H new ATOM 0 HA ILE A 55 7.763 1.059 2.848 1.00 0.00 H new ATOM 0 HB ILE A 55 5.969 0.878 4.660 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.698 -0.928 3.333 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.794 0.308 4.184 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.754 2.814 3.684 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.512 2.936 3.439 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.459 2.437 2.094 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.843 -0.108 1.976 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.482 1.550 2.078 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.400 0.294 1.213 1.00 0.00 H new ATOM 927 N ARG A 56 7.101 -2.091 3.328 1.00 0.00 N ATOM 928 CA ARG A 56 7.672 -3.244 3.966 1.00 0.00 C ATOM 929 C ARG A 56 7.827 -4.384 2.976 1.00 0.00 C ATOM 930 O ARG A 56 6.955 -4.617 2.144 1.00 0.00 O ATOM 931 CB ARG A 56 6.917 -3.667 5.240 1.00 0.00 C ATOM 932 CG ARG A 56 7.612 -4.809 5.946 1.00 0.00 C ATOM 933 CD ARG A 56 7.167 -5.001 7.365 1.00 0.00 C ATOM 934 NE ARG A 56 7.690 -3.977 8.276 1.00 0.00 N ATOM 935 CZ ARG A 56 7.584 -4.059 9.611 1.00 0.00 C ATOM 936 NH1 ARG A 56 6.940 -5.087 10.163 1.00 0.00 N ATOM 937 NH2 ARG A 56 8.147 -3.139 10.390 1.00 0.00 N ATOM 0 H ARG A 56 6.363 -2.282 2.650 1.00 0.00 H new ATOM 0 HA ARG A 56 8.668 -2.961 4.307 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.837 -2.816 5.916 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.901 -3.964 4.980 1.00 0.00 H new ATOM 0 HG2 ARG A 56 7.434 -5.730 5.391 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.687 -4.632 5.933 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.078 -4.990 7.402 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.488 -5.984 7.710 1.00 0.00 H new ATOM 0 HE ARG A 56 8.157 -3.163 7.875 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.529 -5.809 9.571 1.00 0.00 H new ATOM 0 HH12 ARG A 56 6.858 -5.152 11.178 1.00 0.00 H new ATOM 0 HH21 ARG A 56 8.664 -2.365 9.973 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.062 -3.208 11.404 1.00 0.00 H new ATOM 951 N ILE A 57 8.946 -5.050 3.057 1.00 0.00 N ATOM 952 CA ILE A 57 9.322 -6.118 2.150 1.00 0.00 C ATOM 953 C ILE A 57 9.651 -7.397 2.892 1.00 0.00 C ATOM 954 O ILE A 57 9.488 -8.494 2.359 1.00 0.00 O ATOM 955 CB ILE A 57 10.551 -5.753 1.226 1.00 0.00 C ATOM 956 CG1 ILE A 57 11.671 -4.965 1.956 1.00 0.00 C ATOM 957 CG2 ILE A 57 10.121 -5.029 -0.021 1.00 0.00 C ATOM 958 CD1 ILE A 57 11.330 -3.504 2.231 1.00 0.00 C ATOM 0 H ILE A 57 9.647 -4.865 3.774 1.00 0.00 H new ATOM 0 HA ILE A 57 8.446 -6.264 1.518 1.00 0.00 H new ATOM 0 HB ILE A 57 10.983 -6.712 0.940 1.00 0.00 H new ATOM 0 HG12 ILE A 57 11.890 -5.460 2.902 1.00 0.00 H new ATOM 0 HG13 ILE A 57 12.580 -5.008 1.356 1.00 0.00 H new ATOM 0 HG21 ILE A 57 10.997 -4.797 -0.627 1.00 0.00 H new ATOM 0 HG22 ILE A 57 9.441 -5.661 -0.592 1.00 0.00 H new ATOM 0 HG23 ILE A 57 9.613 -4.104 0.252 1.00 0.00 H new ATOM 0 HD11 ILE A 57 12.165 -3.026 2.743 1.00 0.00 H new ATOM 0 HD12 ILE A 57 11.141 -2.991 1.288 1.00 0.00 H new ATOM 0 HD13 ILE A 57 10.440 -3.450 2.858 1.00 0.00 H new ATOM 970 N THR A 58 10.120 -7.266 4.098 1.00 0.00 N ATOM 971 CA THR A 58 10.527 -8.405 4.858 1.00 0.00 C ATOM 972 C THR A 58 9.545 -8.742 5.958 1.00 0.00 C ATOM 973 O THR A 58 8.715 -7.902 6.328 1.00 0.00 O ATOM 974 CB THR A 58 11.942 -8.209 5.398 1.00 0.00 C ATOM 975 OG1 THR A 58 12.077 -6.888 5.981 1.00 0.00 O ATOM 976 CG2 THR A 58 12.933 -8.384 4.272 1.00 0.00 C ATOM 0 H THR A 58 10.230 -6.372 4.577 1.00 0.00 H new ATOM 0 HA THR A 58 10.536 -9.264 4.187 1.00 0.00 H new ATOM 0 HB THR A 58 12.139 -8.950 6.173 1.00 0.00 H new ATOM 0 HG1 THR A 58 12.987 -6.774 6.325 1.00 0.00 H new ATOM 0 HG21 THR A 58 13.945 -8.245 4.653 1.00 0.00 H new ATOM 0 HG22 THR A 58 12.837 -9.387 3.855 1.00 0.00 H new ATOM 0 HG23 THR A 58 12.734 -7.647 3.494 1.00 0.00 H new ATOM 984 N ASP A 59 9.657 -9.971 6.468 1.00 0.00 N ATOM 985 CA ASP A 59 8.743 -10.527 7.465 1.00 0.00 C ATOM 986 C ASP A 59 7.326 -10.523 6.945 1.00 0.00 C ATOM 987 O ASP A 59 6.483 -9.702 7.311 1.00 0.00 O ATOM 988 CB ASP A 59 8.870 -9.879 8.850 1.00 0.00 C ATOM 989 CG ASP A 59 7.892 -10.451 9.858 1.00 0.00 C ATOM 990 OD1 ASP A 59 7.966 -11.663 10.176 1.00 0.00 O ATOM 991 OD2 ASP A 59 7.058 -9.693 10.391 1.00 0.00 O ATOM 0 H ASP A 59 10.398 -10.617 6.194 1.00 0.00 H new ATOM 0 HA ASP A 59 9.040 -11.564 7.624 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.887 -10.016 9.219 1.00 0.00 H new ATOM 0 HB3 ASP A 59 8.706 -8.805 8.760 1.00 0.00 H new ATOM 996 N ASN A 60 7.114 -11.385 6.015 1.00 0.00 N ATOM 997 CA ASN A 60 5.837 -11.519 5.360 1.00 0.00 C ATOM 998 C ASN A 60 5.327 -12.957 5.430 1.00 0.00 C ATOM 999 O ASN A 60 6.094 -13.897 5.271 1.00 0.00 O ATOM 1000 CB ASN A 60 5.893 -10.997 3.904 1.00 0.00 C ATOM 1001 CG ASN A 60 7.070 -11.509 3.070 1.00 0.00 C ATOM 1002 OD1 ASN A 60 7.623 -12.576 3.311 1.00 0.00 O ATOM 1003 ND2 ASN A 60 7.426 -10.776 2.056 1.00 0.00 N ATOM 0 H ASN A 60 7.825 -12.032 5.674 1.00 0.00 H new ATOM 0 HA ASN A 60 5.121 -10.896 5.896 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.966 -11.272 3.401 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.932 -9.908 3.927 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.180 -11.086 1.442 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.952 -9.891 1.875 1.00 0.00 H new ATOM 1010 N PRO A 61 4.030 -13.149 5.729 1.00 0.00 N ATOM 1011 CA PRO A 61 3.422 -14.491 5.859 1.00 0.00 C ATOM 1012 C PRO A 61 3.306 -15.254 4.526 1.00 0.00 C ATOM 1013 O PRO A 61 3.395 -16.486 4.489 1.00 0.00 O ATOM 1014 CB PRO A 61 2.015 -14.199 6.411 1.00 0.00 C ATOM 1015 CG PRO A 61 2.058 -12.785 6.887 1.00 0.00 C ATOM 1016 CD PRO A 61 3.056 -12.085 6.021 1.00 0.00 C ATOM 0 HA PRO A 61 4.037 -15.131 6.492 1.00 0.00 H new ATOM 0 HB2 PRO A 61 1.256 -14.330 5.640 1.00 0.00 H new ATOM 0 HB3 PRO A 61 1.764 -14.879 7.225 1.00 0.00 H new ATOM 0 HG2 PRO A 61 1.077 -12.317 6.807 1.00 0.00 H new ATOM 0 HG3 PRO A 61 2.350 -12.736 7.936 1.00 0.00 H new ATOM 0 HD2 PRO A 61 2.600 -11.693 5.112 1.00 0.00 H new ATOM 0 HD3 PRO A 61 3.518 -11.242 6.535 1.00 0.00 H new ATOM 1024 N GLU A 62 3.110 -14.527 3.449 1.00 0.00 N ATOM 1025 CA GLU A 62 2.919 -15.135 2.146 1.00 0.00 C ATOM 1026 C GLU A 62 4.219 -15.029 1.363 1.00 0.00 C ATOM 1027 O GLU A 62 4.763 -16.029 0.881 1.00 0.00 O ATOM 1028 CB GLU A 62 1.744 -14.408 1.424 1.00 0.00 C ATOM 1029 CG GLU A 62 1.216 -15.026 0.117 1.00 0.00 C ATOM 1030 CD GLU A 62 2.154 -14.939 -1.072 1.00 0.00 C ATOM 1031 OE1 GLU A 62 2.302 -13.856 -1.649 1.00 0.00 O ATOM 1032 OE2 GLU A 62 2.727 -15.974 -1.470 1.00 0.00 O ATOM 0 H GLU A 62 3.078 -13.507 3.448 1.00 0.00 H new ATOM 0 HA GLU A 62 2.662 -16.191 2.234 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.911 -14.340 2.124 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.063 -13.388 1.208 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.985 -16.076 0.299 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.279 -14.534 -0.145 1.00 0.00 H new ATOM 1039 N GLY A 63 4.740 -13.839 1.293 1.00 0.00 N ATOM 1040 CA GLY A 63 5.925 -13.592 0.507 1.00 0.00 C ATOM 1041 C GLY A 63 5.734 -12.384 -0.359 1.00 0.00 C ATOM 1042 O GLY A 63 6.628 -11.973 -1.103 1.00 0.00 O ATOM 0 H GLY A 63 4.366 -13.019 1.770 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.781 -13.444 1.165 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.146 -14.461 -0.113 1.00 0.00 H new ATOM 1046 N LYS A 64 4.548 -11.834 -0.277 1.00 0.00 N ATOM 1047 CA LYS A 64 4.207 -10.627 -0.959 1.00 0.00 C ATOM 1048 C LYS A 64 4.734 -9.429 -0.153 1.00 0.00 C ATOM 1049 O LYS A 64 5.039 -9.551 1.044 1.00 0.00 O ATOM 1050 CB LYS A 64 2.685 -10.531 -1.164 1.00 0.00 C ATOM 1051 CG LYS A 64 1.896 -10.396 0.101 1.00 0.00 C ATOM 1052 CD LYS A 64 0.385 -10.336 -0.136 1.00 0.00 C ATOM 1053 CE LYS A 64 -0.136 -11.473 -0.995 1.00 0.00 C ATOM 1054 NZ LYS A 64 -1.604 -11.387 -1.185 1.00 0.00 N ATOM 0 H LYS A 64 3.786 -12.225 0.276 1.00 0.00 H new ATOM 0 HA LYS A 64 4.670 -10.623 -1.946 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.471 -9.675 -1.804 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.346 -11.420 -1.696 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.122 -11.239 0.754 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.212 -9.493 0.624 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.127 -10.353 0.826 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.137 -9.387 -0.612 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.359 -11.452 -1.966 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.116 -12.426 -0.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.884 -11.972 -1.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.085 -11.731 -0.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.874 -10.398 -1.361 1.00 0.00 H new ATOM 1068 N TRP A 65 4.817 -8.320 -0.795 1.00 0.00 N ATOM 1069 CA TRP A 65 5.366 -7.090 -0.225 1.00 0.00 C ATOM 1070 C TRP A 65 4.245 -6.195 0.231 1.00 0.00 C ATOM 1071 O TRP A 65 3.105 -6.530 0.065 1.00 0.00 O ATOM 1072 CB TRP A 65 6.221 -6.345 -1.250 1.00 0.00 C ATOM 1073 CG TRP A 65 7.537 -6.981 -1.564 1.00 0.00 C ATOM 1074 CD1 TRP A 65 8.226 -7.876 -0.798 1.00 0.00 C ATOM 1075 CD2 TRP A 65 8.350 -6.738 -2.725 1.00 0.00 C ATOM 1076 NE1 TRP A 65 9.401 -8.217 -1.414 1.00 0.00 N ATOM 1077 CE2 TRP A 65 9.507 -7.532 -2.597 1.00 0.00 C ATOM 1078 CE3 TRP A 65 8.207 -5.930 -3.858 1.00 0.00 C ATOM 1079 CZ2 TRP A 65 10.512 -7.540 -3.558 1.00 0.00 C ATOM 1080 CZ3 TRP A 65 9.206 -5.942 -4.811 1.00 0.00 C ATOM 1081 CH2 TRP A 65 10.345 -6.740 -4.654 1.00 0.00 C ATOM 0 H TRP A 65 4.503 -8.214 -1.760 1.00 0.00 H new ATOM 0 HA TRP A 65 5.994 -7.360 0.624 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.651 -6.251 -2.175 1.00 0.00 H new ATOM 0 HB3 TRP A 65 6.402 -5.335 -0.883 1.00 0.00 H new ATOM 0 HD1 TRP A 65 7.893 -8.260 0.155 1.00 0.00 H new ATOM 0 HE1 TRP A 65 10.089 -8.877 -1.050 1.00 0.00 H new ATOM 0 HE3 TRP A 65 7.332 -5.309 -3.985 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 11.392 -8.155 -3.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 9.107 -5.325 -5.692 1.00 0.00 H new ATOM 0 HH2 TRP A 65 11.110 -6.723 -5.416 1.00 0.00 H new ATOM 1092 N LEU A 66 4.570 -5.082 0.824 1.00 0.00 N ATOM 1093 CA LEU A 66 3.572 -4.131 1.253 1.00 0.00 C ATOM 1094 C LEU A 66 3.767 -2.827 0.510 1.00 0.00 C ATOM 1095 O LEU A 66 4.779 -2.136 0.723 1.00 0.00 O ATOM 1096 CB LEU A 66 3.688 -3.880 2.758 1.00 0.00 C ATOM 1097 CG LEU A 66 2.648 -2.944 3.364 1.00 0.00 C ATOM 1098 CD1 LEU A 66 1.266 -3.522 3.222 1.00 0.00 C ATOM 1099 CD2 LEU A 66 2.959 -2.676 4.811 1.00 0.00 C ATOM 0 H LEU A 66 5.530 -4.804 1.026 1.00 0.00 H new ATOM 0 HA LEU A 66 2.583 -4.536 1.037 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.627 -4.839 3.272 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.678 -3.472 2.962 1.00 0.00 H new ATOM 0 HG LEU A 66 2.682 -1.999 2.822 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.539 -2.839 3.661 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.038 -3.665 2.166 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.218 -4.482 3.737 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.206 -2.006 5.227 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.954 -3.615 5.364 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.942 -2.212 4.892 1.00 0.00 H new ATOM 1111 N GLY A 67 2.834 -2.489 -0.348 1.00 0.00 N ATOM 1112 CA GLY A 67 2.945 -1.270 -1.100 1.00 0.00 C ATOM 1113 C GLY A 67 1.833 -0.315 -0.753 1.00 0.00 C ATOM 1114 O GLY A 67 0.788 -0.740 -0.255 1.00 0.00 O ATOM 0 H GLY A 67 1.997 -3.039 -0.539 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.908 -0.801 -0.898 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.917 -1.493 -2.167 1.00 0.00 H new ATOM 1118 N ARG A 68 2.053 0.963 -0.990 1.00 0.00 N ATOM 1119 CA ARG A 68 1.059 1.983 -0.703 1.00 0.00 C ATOM 1120 C ARG A 68 0.956 2.973 -1.849 1.00 0.00 C ATOM 1121 O ARG A 68 1.873 3.112 -2.654 1.00 0.00 O ATOM 1122 CB ARG A 68 1.386 2.726 0.622 1.00 0.00 C ATOM 1123 CG ARG A 68 0.341 3.754 1.093 1.00 0.00 C ATOM 1124 CD ARG A 68 0.854 4.603 2.242 1.00 0.00 C ATOM 1125 NE ARG A 68 1.987 5.459 1.868 1.00 0.00 N ATOM 1126 CZ ARG A 68 2.625 6.274 2.708 1.00 0.00 C ATOM 1127 NH1 ARG A 68 2.121 6.505 3.915 1.00 0.00 N ATOM 1128 NH2 ARG A 68 3.716 6.916 2.304 1.00 0.00 N ATOM 0 H ARG A 68 2.921 1.324 -1.385 1.00 0.00 H new ATOM 0 HA ARG A 68 0.097 1.484 -0.587 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.517 1.984 1.409 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.342 3.237 0.503 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.067 4.400 0.259 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.565 3.233 1.404 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.042 5.228 2.614 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.155 3.950 3.061 1.00 0.00 H new ATOM 0 HE ARG A 68 2.307 5.428 0.900 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.248 6.059 4.197 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.607 7.128 4.560 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.063 6.784 1.354 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.207 7.540 2.944 1.00 0.00 H new ATOM 1142 N THR A 69 -0.174 3.611 -1.915 1.00 0.00 N ATOM 1143 CA THR A 69 -0.460 4.658 -2.872 1.00 0.00 C ATOM 1144 C THR A 69 -0.573 5.945 -2.072 1.00 0.00 C ATOM 1145 O THR A 69 -0.873 5.867 -0.863 1.00 0.00 O ATOM 1146 CB THR A 69 -1.788 4.334 -3.596 1.00 0.00 C ATOM 1147 OG1 THR A 69 -1.711 2.993 -4.108 1.00 0.00 O ATOM 1148 CG2 THR A 69 -2.055 5.282 -4.757 1.00 0.00 C ATOM 0 H THR A 69 -0.954 3.416 -1.287 1.00 0.00 H new ATOM 0 HA THR A 69 0.316 4.749 -3.632 1.00 0.00 H new ATOM 0 HB THR A 69 -2.601 4.445 -2.878 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.547 2.770 -4.569 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.998 5.016 -5.235 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.113 6.305 -4.385 1.00 0.00 H new ATOM 0 HG23 THR A 69 -1.246 5.205 -5.483 1.00 0.00 H new ATOM 1156 N ALA A 70 -0.343 7.107 -2.700 1.00 0.00 N ATOM 1157 CA ALA A 70 -0.357 8.386 -2.019 1.00 0.00 C ATOM 1158 C ALA A 70 -1.758 8.809 -1.638 1.00 0.00 C ATOM 1159 O ALA A 70 -2.355 9.703 -2.227 1.00 0.00 O ATOM 1160 CB ALA A 70 0.370 9.470 -2.810 1.00 0.00 C ATOM 0 H ALA A 70 -0.143 7.174 -3.698 1.00 0.00 H new ATOM 0 HA ALA A 70 0.198 8.251 -1.091 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.332 10.410 -2.259 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.410 9.177 -2.958 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.112 9.598 -3.779 1.00 0.00 H new ATOM 1166 N ARG A 71 -2.275 8.069 -0.721 1.00 0.00 N ATOM 1167 CA ARG A 71 -3.557 8.285 -0.098 1.00 0.00 C ATOM 1168 C ARG A 71 -3.636 7.373 1.132 1.00 0.00 C ATOM 1169 O ARG A 71 -4.174 7.740 2.175 1.00 0.00 O ATOM 1170 CB ARG A 71 -4.748 8.002 -1.061 1.00 0.00 C ATOM 1171 CG ARG A 71 -4.922 6.542 -1.456 1.00 0.00 C ATOM 1172 CD ARG A 71 -6.111 6.329 -2.367 1.00 0.00 C ATOM 1173 NE ARG A 71 -5.909 6.931 -3.681 1.00 0.00 N ATOM 1174 CZ ARG A 71 -6.714 6.775 -4.736 1.00 0.00 C ATOM 1175 NH1 ARG A 71 -7.862 6.110 -4.620 1.00 0.00 N ATOM 1176 NH2 ARG A 71 -6.364 7.308 -5.899 1.00 0.00 N ATOM 0 H ARG A 71 -1.796 7.246 -0.356 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.640 9.335 0.183 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -5.668 8.347 -0.589 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -4.613 8.594 -1.966 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.018 6.193 -1.955 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.043 5.937 -0.557 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.292 5.260 -2.482 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.002 6.756 -1.906 1.00 0.00 H new ATOM 0 HE ARG A 71 -5.085 7.520 -3.804 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.134 5.714 -3.720 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.470 5.996 -5.431 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.491 7.829 -5.979 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -6.968 7.197 -6.713 1.00 0.00 H new ATOM 1190 N GLY A 72 -3.041 6.196 0.998 1.00 0.00 N ATOM 1191 CA GLY A 72 -3.028 5.219 2.036 1.00 0.00 C ATOM 1192 C GLY A 72 -3.867 4.047 1.657 1.00 0.00 C ATOM 1193 O GLY A 72 -5.075 3.990 1.905 1.00 0.00 O ATOM 0 H GLY A 72 -2.553 5.906 0.150 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -2.005 4.895 2.227 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.401 5.657 2.961 1.00 0.00 H new ATOM 1197 N SER A 73 -3.230 3.131 1.040 1.00 0.00 N ATOM 1198 CA SER A 73 -3.789 1.960 0.552 1.00 0.00 C ATOM 1199 C SER A 73 -2.622 1.072 0.615 1.00 0.00 C ATOM 1200 O SER A 73 -1.623 1.351 -0.007 1.00 0.00 O ATOM 1201 CB SER A 73 -4.189 2.116 -0.909 1.00 0.00 C ATOM 1202 OG SER A 73 -4.789 3.379 -1.163 1.00 0.00 O ATOM 0 H SER A 73 -2.229 3.197 0.855 1.00 0.00 H new ATOM 0 HA SER A 73 -4.680 1.634 1.089 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.309 1.999 -1.541 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.885 1.322 -1.182 1.00 0.00 H new ATOM 0 HG SER A 73 -5.030 3.442 -2.111 1.00 0.00 H new ATOM 1208 N TYR A 74 -2.710 0.118 1.364 1.00 0.00 N ATOM 1209 CA TYR A 74 -1.658 -0.779 1.608 1.00 0.00 C ATOM 1210 C TYR A 74 -2.077 -2.086 1.131 1.00 0.00 C ATOM 1211 O TYR A 74 -2.734 -2.864 1.838 1.00 0.00 O ATOM 1212 CB TYR A 74 -1.355 -0.880 3.063 1.00 0.00 C ATOM 1213 CG TYR A 74 -0.645 0.282 3.713 1.00 0.00 C ATOM 1214 CD1 TYR A 74 -1.313 1.452 4.021 1.00 0.00 C ATOM 1215 CD2 TYR A 74 0.686 0.173 4.086 1.00 0.00 C ATOM 1216 CE1 TYR A 74 -0.677 2.476 4.680 1.00 0.00 C ATOM 1217 CE2 TYR A 74 1.335 1.201 4.736 1.00 0.00 C ATOM 1218 CZ TYR A 74 0.645 2.350 5.034 1.00 0.00 C ATOM 1219 OH TYR A 74 1.265 3.376 5.722 1.00 0.00 O ATOM 0 H TYR A 74 -3.562 -0.107 1.878 1.00 0.00 H new ATOM 0 HA TYR A 74 -0.762 -0.426 1.098 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.295 -1.037 3.591 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.749 -1.773 3.218 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.350 1.563 3.740 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.225 -0.736 3.863 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.216 3.380 4.920 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.376 1.104 5.008 1.00 0.00 H new ATOM 0 HH TYR A 74 0.605 3.846 6.273 1.00 0.00 H new ATOM 1229 N GLY A 75 -1.802 -2.308 -0.052 1.00 0.00 N ATOM 1230 CA GLY A 75 -2.109 -3.508 -0.593 1.00 0.00 C ATOM 1231 C GLY A 75 -0.895 -4.268 -0.669 1.00 0.00 C ATOM 1232 O GLY A 75 0.015 -3.904 -1.414 1.00 0.00 O ATOM 0 H GLY A 75 -1.348 -1.647 -0.682 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.849 -4.026 0.017 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.545 -3.382 -1.584 1.00 0.00 H new ATOM 1236 N TYR A 76 -0.799 -5.176 0.225 1.00 0.00 N ATOM 1237 CA TYR A 76 0.251 -6.155 0.229 1.00 0.00 C ATOM 1238 C TYR A 76 0.305 -6.805 -1.165 1.00 0.00 C ATOM 1239 O TYR A 76 -0.489 -7.655 -1.514 1.00 0.00 O ATOM 1240 CB TYR A 76 0.042 -7.202 1.350 1.00 0.00 C ATOM 1241 CG TYR A 76 -1.134 -6.911 2.264 1.00 0.00 C ATOM 1242 CD1 TYR A 76 -1.005 -6.112 3.394 1.00 0.00 C ATOM 1243 CD2 TYR A 76 -2.373 -7.429 1.975 1.00 0.00 C ATOM 1244 CE1 TYR A 76 -2.093 -5.852 4.193 1.00 0.00 C ATOM 1245 CE2 TYR A 76 -3.460 -7.174 2.768 1.00 0.00 C ATOM 1246 CZ TYR A 76 -3.323 -6.386 3.869 1.00 0.00 C ATOM 1247 OH TYR A 76 -4.412 -6.149 4.671 1.00 0.00 O ATOM 0 H TYR A 76 -1.457 -5.273 0.998 1.00 0.00 H new ATOM 0 HA TYR A 76 1.207 -5.676 0.441 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -0.101 -8.182 0.894 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.949 -7.259 1.951 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -0.042 -5.692 3.646 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -2.493 -8.052 1.101 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.985 -5.232 5.071 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -4.423 -7.597 2.520 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.198 -6.598 4.296 1.00 0.00 H new ATOM 1257 N ILE A 77 1.201 -6.303 -1.948 1.00 0.00 N ATOM 1258 CA ILE A 77 1.364 -6.633 -3.310 1.00 0.00 C ATOM 1259 C ILE A 77 1.997 -7.906 -3.517 1.00 0.00 C ATOM 1260 O ILE A 77 3.014 -8.215 -2.894 1.00 0.00 O ATOM 1261 CB ILE A 77 2.264 -5.638 -4.009 1.00 0.00 C ATOM 1262 CG1 ILE A 77 3.379 -5.150 -3.073 1.00 0.00 C ATOM 1263 CG2 ILE A 77 1.477 -4.504 -4.566 1.00 0.00 C ATOM 1264 CD1 ILE A 77 4.313 -4.168 -3.694 1.00 0.00 C ATOM 0 H ILE A 77 1.876 -5.610 -1.626 1.00 0.00 H new ATOM 0 HA ILE A 77 0.349 -6.639 -3.706 1.00 0.00 H new ATOM 0 HB ILE A 77 2.742 -6.145 -4.847 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.925 -4.696 -2.192 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.952 -6.011 -2.729 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.149 -3.804 -5.063 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.751 -4.883 -5.286 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.953 -3.993 -3.758 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.069 -3.875 -2.966 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.798 -4.623 -4.558 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.756 -3.287 -4.013 1.00 0.00 H new ATOM 1276 N LYS A 78 1.485 -8.624 -4.434 1.00 0.00 N ATOM 1277 CA LYS A 78 2.186 -9.724 -4.850 1.00 0.00 C ATOM 1278 C LYS A 78 3.243 -9.140 -5.785 1.00 0.00 C ATOM 1279 O LYS A 78 2.951 -8.490 -6.781 1.00 0.00 O ATOM 1280 CB LYS A 78 1.331 -10.831 -5.483 1.00 0.00 C ATOM 1281 CG LYS A 78 0.719 -10.485 -6.788 1.00 0.00 C ATOM 1282 CD LYS A 78 0.100 -11.715 -7.442 1.00 0.00 C ATOM 1283 CE LYS A 78 -0.580 -11.394 -8.764 1.00 0.00 C ATOM 1284 NZ LYS A 78 -1.845 -10.648 -8.596 1.00 0.00 N ATOM 0 H LYS A 78 0.591 -8.458 -4.896 1.00 0.00 H new ATOM 0 HA LYS A 78 2.624 -10.265 -4.011 1.00 0.00 H new ATOM 0 HB2 LYS A 78 1.951 -11.718 -5.614 1.00 0.00 H new ATOM 0 HB3 LYS A 78 0.536 -11.098 -4.786 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.045 -9.721 -6.645 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.475 -10.059 -7.447 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.876 -12.463 -7.609 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.628 -12.157 -6.761 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.100 -10.810 -9.384 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.780 -12.323 -9.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.184 -10.326 -9.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.559 -11.268 -8.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.683 -9.825 -7.982 1.00 0.00 H new ATOM 1298 N THR A 79 4.404 -9.254 -5.317 1.00 0.00 N ATOM 1299 CA THR A 79 5.675 -8.741 -5.845 1.00 0.00 C ATOM 1300 C THR A 79 5.785 -8.746 -7.368 1.00 0.00 C ATOM 1301 O THR A 79 6.364 -7.840 -7.944 1.00 0.00 O ATOM 1302 CB THR A 79 6.837 -9.582 -5.250 1.00 0.00 C ATOM 1303 OG1 THR A 79 6.717 -10.965 -5.661 1.00 0.00 O ATOM 1304 CG2 THR A 79 6.772 -9.553 -3.747 1.00 0.00 C ATOM 0 H THR A 79 4.555 -9.765 -4.447 1.00 0.00 H new ATOM 0 HA THR A 79 5.728 -7.694 -5.547 1.00 0.00 H new ATOM 0 HB THR A 79 7.776 -9.158 -5.606 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.456 -11.484 -5.281 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.590 -10.145 -3.336 1.00 0.00 H new ATOM 0 HG22 THR A 79 6.858 -8.524 -3.399 1.00 0.00 H new ATOM 0 HG23 THR A 79 5.821 -9.969 -3.416 1.00 0.00 H new ATOM 1312 N THR A 80 5.195 -9.720 -7.999 1.00 0.00 N ATOM 1313 CA THR A 80 5.191 -9.831 -9.445 1.00 0.00 C ATOM 1314 C THR A 80 4.458 -8.634 -10.126 1.00 0.00 C ATOM 1315 O THR A 80 4.644 -8.376 -11.314 1.00 0.00 O ATOM 1316 CB THR A 80 4.546 -11.178 -9.867 1.00 0.00 C ATOM 1317 OG1 THR A 80 4.432 -11.295 -11.295 1.00 0.00 O ATOM 1318 CG2 THR A 80 3.189 -11.353 -9.211 1.00 0.00 C ATOM 0 H THR A 80 4.695 -10.473 -7.526 1.00 0.00 H new ATOM 0 HA THR A 80 6.227 -9.803 -9.784 1.00 0.00 H new ATOM 0 HB THR A 80 5.207 -11.974 -9.524 1.00 0.00 H new ATOM 0 HG1 THR A 80 4.023 -12.156 -11.521 1.00 0.00 H new ATOM 0 HG21 THR A 80 2.755 -12.304 -9.521 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.305 -11.343 -8.127 1.00 0.00 H new ATOM 0 HG23 THR A 80 2.531 -10.538 -9.513 1.00 0.00 H new ATOM 1326 N ALA A 81 3.671 -7.881 -9.362 1.00 0.00 N ATOM 1327 CA ALA A 81 2.919 -6.793 -9.919 1.00 0.00 C ATOM 1328 C ALA A 81 3.750 -5.518 -10.004 1.00 0.00 C ATOM 1329 O ALA A 81 3.397 -4.588 -10.756 1.00 0.00 O ATOM 1330 CB ALA A 81 1.657 -6.560 -9.102 1.00 0.00 C ATOM 0 H ALA A 81 3.547 -8.015 -8.358 1.00 0.00 H new ATOM 0 HA ALA A 81 2.638 -7.064 -10.937 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.093 -5.733 -9.532 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.045 -7.462 -9.113 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.928 -6.319 -8.074 1.00 0.00 H new ATOM 1336 N VAL A 82 4.859 -5.466 -9.271 1.00 0.00 N ATOM 1337 CA VAL A 82 5.660 -4.249 -9.233 1.00 0.00 C ATOM 1338 C VAL A 82 7.129 -4.522 -9.350 1.00 0.00 C ATOM 1339 O VAL A 82 7.586 -5.659 -9.248 1.00 0.00 O ATOM 1340 CB VAL A 82 5.476 -3.439 -7.913 1.00 0.00 C ATOM 1341 CG1 VAL A 82 4.071 -2.948 -7.745 1.00 0.00 C ATOM 1342 CG2 VAL A 82 5.900 -4.260 -6.705 1.00 0.00 C ATOM 0 H VAL A 82 5.217 -6.236 -8.706 1.00 0.00 H new ATOM 0 HA VAL A 82 5.300 -3.676 -10.087 1.00 0.00 H new ATOM 0 HB VAL A 82 6.123 -2.565 -7.985 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.990 -2.390 -6.812 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.810 -2.299 -8.581 1.00 0.00 H new ATOM 0 HG13 VAL A 82 3.389 -3.798 -7.719 1.00 0.00 H new ATOM 0 HG21 VAL A 82 5.761 -3.671 -5.798 1.00 0.00 H new ATOM 0 HG22 VAL A 82 5.293 -5.163 -6.648 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.950 -4.535 -6.802 1.00 0.00 H new ATOM 1352 N GLU A 83 7.846 -3.471 -9.561 1.00 0.00 N ATOM 1353 CA GLU A 83 9.277 -3.468 -9.481 1.00 0.00 C ATOM 1354 C GLU A 83 9.650 -2.253 -8.721 1.00 0.00 C ATOM 1355 O GLU A 83 9.191 -1.156 -9.050 1.00 0.00 O ATOM 1356 CB GLU A 83 9.931 -3.429 -10.845 1.00 0.00 C ATOM 1357 CG GLU A 83 9.798 -4.708 -11.647 1.00 0.00 C ATOM 1358 CD GLU A 83 10.533 -4.621 -12.955 1.00 0.00 C ATOM 1359 OE1 GLU A 83 11.749 -4.919 -13.007 1.00 0.00 O ATOM 1360 OE2 GLU A 83 9.919 -4.249 -13.970 1.00 0.00 O ATOM 0 H GLU A 83 7.448 -2.563 -9.801 1.00 0.00 H new ATOM 0 HA GLU A 83 9.618 -4.384 -8.999 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.497 -2.610 -11.418 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.990 -3.203 -10.719 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.186 -5.544 -11.066 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.744 -4.912 -11.834 1.00 0.00 H new ATOM 1367 N ILE A 84 10.415 -2.410 -7.684 1.00 0.00 N ATOM 1368 CA ILE A 84 10.775 -1.268 -6.903 1.00 0.00 C ATOM 1369 C ILE A 84 11.965 -0.588 -7.503 1.00 0.00 C ATOM 1370 O ILE A 84 12.657 -1.163 -8.341 1.00 0.00 O ATOM 1371 CB ILE A 84 11.090 -1.588 -5.428 1.00 0.00 C ATOM 1372 CG1 ILE A 84 12.350 -2.434 -5.315 1.00 0.00 C ATOM 1373 CG2 ILE A 84 9.912 -2.293 -4.766 1.00 0.00 C ATOM 1374 CD1 ILE A 84 12.918 -2.444 -3.938 1.00 0.00 C ATOM 0 H ILE A 84 10.796 -3.300 -7.364 1.00 0.00 H new ATOM 0 HA ILE A 84 9.898 -0.621 -6.914 1.00 0.00 H new ATOM 0 HB ILE A 84 11.263 -0.646 -4.908 1.00 0.00 H new ATOM 0 HG12 ILE A 84 12.124 -3.457 -5.617 1.00 0.00 H new ATOM 0 HG13 ILE A 84 13.100 -2.055 -6.009 1.00 0.00 H new ATOM 0 HG21 ILE A 84 10.155 -2.510 -3.726 1.00 0.00 H new ATOM 0 HG22 ILE A 84 9.033 -1.649 -4.807 1.00 0.00 H new ATOM 0 HG23 ILE A 84 9.704 -3.225 -5.292 1.00 0.00 H new ATOM 0 HD11 ILE A 84 13.815 -3.063 -3.919 1.00 0.00 H new ATOM 0 HD12 ILE A 84 13.173 -1.426 -3.642 1.00 0.00 H new ATOM 0 HD13 ILE A 84 12.182 -2.850 -3.244 1.00 0.00 H new ATOM 1386 N ASP A 85 12.207 0.610 -7.086 1.00 0.00 N ATOM 1387 CA ASP A 85 13.390 1.307 -7.509 1.00 0.00 C ATOM 1388 C ASP A 85 14.464 0.915 -6.558 1.00 0.00 C ATOM 1389 O ASP A 85 14.396 1.245 -5.369 1.00 0.00 O ATOM 1390 CB ASP A 85 13.199 2.822 -7.509 1.00 0.00 C ATOM 1391 CG ASP A 85 14.454 3.567 -7.918 1.00 0.00 C ATOM 1392 OD1 ASP A 85 14.754 3.627 -9.129 1.00 0.00 O ATOM 1393 OD2 ASP A 85 15.144 4.134 -7.039 1.00 0.00 O ATOM 0 H ASP A 85 11.604 1.133 -6.451 1.00 0.00 H new ATOM 0 HA ASP A 85 13.639 1.039 -8.536 1.00 0.00 H new ATOM 0 HB2 ASP A 85 12.388 3.082 -8.189 1.00 0.00 H new ATOM 0 HB3 ASP A 85 12.896 3.146 -6.513 1.00 0.00 H new ATOM 1398 N TYR A 86 15.416 0.174 -7.049 1.00 0.00 N ATOM 1399 CA TYR A 86 16.443 -0.404 -6.219 1.00 0.00 C ATOM 1400 C TYR A 86 17.459 0.625 -5.837 1.00 0.00 C ATOM 1401 O TYR A 86 18.146 0.469 -4.842 1.00 0.00 O ATOM 1402 CB TYR A 86 17.105 -1.593 -6.929 1.00 0.00 C ATOM 1403 CG TYR A 86 16.131 -2.703 -7.243 1.00 0.00 C ATOM 1404 CD1 TYR A 86 15.800 -3.637 -6.282 1.00 0.00 C ATOM 1405 CD2 TYR A 86 15.528 -2.802 -8.491 1.00 0.00 C ATOM 1406 CE1 TYR A 86 14.896 -4.639 -6.547 1.00 0.00 C ATOM 1407 CE2 TYR A 86 14.623 -3.807 -8.763 1.00 0.00 C ATOM 1408 CZ TYR A 86 14.310 -4.723 -7.784 1.00 0.00 C ATOM 1409 OH TYR A 86 13.394 -5.725 -8.043 1.00 0.00 O ATOM 0 H TYR A 86 15.505 -0.049 -8.040 1.00 0.00 H new ATOM 0 HA TYR A 86 15.978 -0.771 -5.304 1.00 0.00 H new ATOM 0 HB2 TYR A 86 17.565 -1.247 -7.855 1.00 0.00 H new ATOM 0 HB3 TYR A 86 17.906 -1.985 -6.302 1.00 0.00 H new ATOM 0 HD1 TYR A 86 16.259 -3.580 -5.306 1.00 0.00 H new ATOM 0 HD2 TYR A 86 15.771 -2.082 -9.259 1.00 0.00 H new ATOM 0 HE1 TYR A 86 14.648 -5.359 -5.781 1.00 0.00 H new ATOM 0 HE2 TYR A 86 14.163 -3.875 -9.738 1.00 0.00 H new ATOM 0 HH TYR A 86 13.072 -5.643 -8.965 1.00 0.00 H new ATOM 1419 N ASP A 87 17.512 1.688 -6.622 1.00 0.00 N ATOM 1420 CA ASP A 87 18.441 2.800 -6.430 1.00 0.00 C ATOM 1421 C ASP A 87 19.867 2.322 -6.625 1.00 0.00 C ATOM 1422 O ASP A 87 20.311 2.227 -7.768 1.00 0.00 O ATOM 1423 CB ASP A 87 18.239 3.514 -5.067 1.00 0.00 C ATOM 1424 CG ASP A 87 19.141 4.715 -4.867 1.00 0.00 C ATOM 1425 OD1 ASP A 87 18.858 5.780 -5.457 1.00 0.00 O ATOM 1426 OD2 ASP A 87 20.116 4.627 -4.085 1.00 0.00 O ATOM 0 H ASP A 87 16.900 1.809 -7.429 1.00 0.00 H new ATOM 0 HA ASP A 87 18.227 3.554 -7.187 1.00 0.00 H new ATOM 0 HB2 ASP A 87 17.200 3.834 -4.985 1.00 0.00 H new ATOM 0 HB3 ASP A 87 18.417 2.800 -4.263 1.00 0.00 H new ATOM 1431 N SER A 88 20.531 1.952 -5.521 1.00 0.00 N ATOM 1432 CA SER A 88 21.881 1.401 -5.505 1.00 0.00 C ATOM 1433 C SER A 88 22.833 2.129 -6.454 1.00 0.00 C ATOM 1434 O SER A 88 23.083 1.685 -7.597 1.00 0.00 O ATOM 1435 CB SER A 88 21.853 -0.110 -5.758 1.00 0.00 C ATOM 1436 OG SER A 88 21.045 -0.766 -4.776 1.00 0.00 O ATOM 0 H SER A 88 20.125 2.033 -4.589 1.00 0.00 H new ATOM 0 HA SER A 88 22.284 1.567 -4.506 1.00 0.00 H new ATOM 0 HB2 SER A 88 21.460 -0.311 -6.755 1.00 0.00 H new ATOM 0 HB3 SER A 88 22.867 -0.509 -5.729 1.00 0.00 H new ATOM 0 HG SER A 88 20.119 -0.455 -4.853 1.00 0.00 H new ATOM 1442 N LEU A 89 23.307 3.265 -6.021 1.00 0.00 N ATOM 1443 CA LEU A 89 24.194 4.028 -6.823 1.00 0.00 C ATOM 1444 C LEU A 89 25.586 3.487 -6.698 1.00 0.00 C ATOM 1445 O LEU A 89 26.269 3.678 -5.688 1.00 0.00 O ATOM 1446 CB LEU A 89 24.136 5.520 -6.485 1.00 0.00 C ATOM 1447 CG LEU A 89 22.779 6.202 -6.699 1.00 0.00 C ATOM 1448 CD1 LEU A 89 22.868 7.683 -6.379 1.00 0.00 C ATOM 1449 CD2 LEU A 89 22.288 5.993 -8.125 1.00 0.00 C ATOM 0 H LEU A 89 23.087 3.675 -5.113 1.00 0.00 H new ATOM 0 HA LEU A 89 23.877 3.938 -7.862 1.00 0.00 H new ATOM 0 HB2 LEU A 89 24.425 5.648 -5.442 1.00 0.00 H new ATOM 0 HB3 LEU A 89 24.881 6.039 -7.088 1.00 0.00 H new ATOM 0 HG LEU A 89 22.059 5.746 -6.020 1.00 0.00 H new ATOM 0 HD11 LEU A 89 21.895 8.149 -6.537 1.00 0.00 H new ATOM 0 HD12 LEU A 89 23.168 7.813 -5.339 1.00 0.00 H new ATOM 0 HD13 LEU A 89 23.605 8.152 -7.031 1.00 0.00 H new ATOM 0 HD21 LEU A 89 21.324 6.485 -8.254 1.00 0.00 H new ATOM 0 HD22 LEU A 89 23.009 6.418 -8.824 1.00 0.00 H new ATOM 0 HD23 LEU A 89 22.179 4.926 -8.320 1.00 0.00 H new ATOM 1461 N LYS A 90 26.002 2.803 -7.729 1.00 0.00 N ATOM 1462 CA LYS A 90 27.311 2.195 -7.791 1.00 0.00 C ATOM 1463 C LYS A 90 28.346 3.256 -8.126 1.00 0.00 C ATOM 1464 O LYS A 90 29.552 3.003 -8.091 1.00 0.00 O ATOM 1465 CB LYS A 90 27.321 1.052 -8.810 1.00 0.00 C ATOM 1466 CG LYS A 90 26.960 1.477 -10.224 1.00 0.00 C ATOM 1467 CD LYS A 90 26.890 0.297 -11.180 1.00 0.00 C ATOM 1468 CE LYS A 90 28.198 -0.475 -11.236 1.00 0.00 C ATOM 1469 NZ LYS A 90 28.160 -1.527 -12.266 1.00 0.00 N ATOM 0 H LYS A 90 25.436 2.648 -8.563 1.00 0.00 H new ATOM 0 HA LYS A 90 27.562 1.766 -6.821 1.00 0.00 H new ATOM 0 HB2 LYS A 90 28.312 0.598 -8.821 1.00 0.00 H new ATOM 0 HB3 LYS A 90 26.621 0.283 -8.484 1.00 0.00 H new ATOM 0 HG2 LYS A 90 25.998 1.990 -10.213 1.00 0.00 H new ATOM 0 HG3 LYS A 90 27.699 2.192 -10.586 1.00 0.00 H new ATOM 0 HD2 LYS A 90 26.088 -0.373 -10.870 1.00 0.00 H new ATOM 0 HD3 LYS A 90 26.638 0.655 -12.178 1.00 0.00 H new ATOM 0 HE2 LYS A 90 29.018 0.212 -11.446 1.00 0.00 H new ATOM 0 HE3 LYS A 90 28.399 -0.924 -10.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 29.068 -2.034 -12.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 27.393 -2.195 -12.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 27.993 -1.095 -13.197 1.00 0.00 H new ATOM 1483 N LEU A 91 27.834 4.449 -8.466 1.00 0.00 N ATOM 1484 CA LEU A 91 28.628 5.649 -8.696 1.00 0.00 C ATOM 1485 C LEU A 91 29.419 5.950 -7.422 1.00 0.00 C ATOM 1486 O LEU A 91 30.565 6.421 -7.472 1.00 0.00 O ATOM 1487 CB LEU A 91 27.666 6.810 -9.093 1.00 0.00 C ATOM 1488 CG LEU A 91 28.268 8.182 -9.480 1.00 0.00 C ATOM 1489 CD1 LEU A 91 27.240 8.975 -10.263 1.00 0.00 C ATOM 1490 CD2 LEU A 91 28.660 8.992 -8.246 1.00 0.00 C ATOM 0 H LEU A 91 26.833 4.601 -8.589 1.00 0.00 H new ATOM 0 HA LEU A 91 29.341 5.519 -9.510 1.00 0.00 H new ATOM 0 HB2 LEU A 91 27.064 6.466 -9.934 1.00 0.00 H new ATOM 0 HB3 LEU A 91 26.984 6.973 -8.258 1.00 0.00 H new ATOM 0 HG LEU A 91 29.161 7.998 -10.077 1.00 0.00 H new ATOM 0 HD11 LEU A 91 27.659 9.943 -10.538 1.00 0.00 H new ATOM 0 HD12 LEU A 91 26.968 8.427 -11.166 1.00 0.00 H new ATOM 0 HD13 LEU A 91 26.352 9.126 -9.649 1.00 0.00 H new ATOM 0 HD21 LEU A 91 29.079 9.949 -8.557 1.00 0.00 H new ATOM 0 HD22 LEU A 91 27.778 9.165 -7.629 1.00 0.00 H new ATOM 0 HD23 LEU A 91 29.403 8.441 -7.670 1.00 0.00 H new ATOM 1502 N LYS A 92 28.795 5.648 -6.293 1.00 0.00 N ATOM 1503 CA LYS A 92 29.421 5.743 -4.996 1.00 0.00 C ATOM 1504 C LYS A 92 30.355 4.555 -4.917 1.00 0.00 C ATOM 1505 O LYS A 92 29.897 3.396 -4.959 1.00 0.00 O ATOM 1506 CB LYS A 92 28.355 5.607 -3.904 1.00 0.00 C ATOM 1507 CG LYS A 92 27.181 6.562 -4.044 1.00 0.00 C ATOM 1508 CD LYS A 92 26.075 6.205 -3.068 1.00 0.00 C ATOM 1509 CE LYS A 92 24.839 7.055 -3.295 1.00 0.00 C ATOM 1510 NZ LYS A 92 23.708 6.620 -2.459 1.00 0.00 N ATOM 0 H LYS A 92 27.828 5.327 -6.259 1.00 0.00 H new ATOM 0 HA LYS A 92 29.939 6.693 -4.861 1.00 0.00 H new ATOM 0 HB2 LYS A 92 27.977 4.585 -3.909 1.00 0.00 H new ATOM 0 HB3 LYS A 92 28.825 5.769 -2.934 1.00 0.00 H new ATOM 0 HG2 LYS A 92 27.515 7.584 -3.864 1.00 0.00 H new ATOM 0 HG3 LYS A 92 26.797 6.527 -5.064 1.00 0.00 H new ATOM 0 HD2 LYS A 92 25.818 5.151 -3.177 1.00 0.00 H new ATOM 0 HD3 LYS A 92 26.431 6.343 -2.047 1.00 0.00 H new ATOM 0 HE2 LYS A 92 25.071 8.097 -3.077 1.00 0.00 H new ATOM 0 HE3 LYS A 92 24.553 7.005 -4.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 22.885 7.227 -2.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 23.469 5.633 -2.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 23.971 6.692 -1.455 1.00 0.00 H new ATOM 1524 N LYS A 93 31.625 4.783 -4.868 1.00 0.00 N ATOM 1525 CA LYS A 93 32.511 3.677 -4.903 1.00 0.00 C ATOM 1526 C LYS A 93 33.307 3.549 -3.630 1.00 0.00 C ATOM 1527 O LYS A 93 33.412 4.492 -2.841 1.00 0.00 O ATOM 1528 CB LYS A 93 33.408 3.716 -6.111 1.00 0.00 C ATOM 1529 CG LYS A 93 33.781 2.336 -6.649 1.00 0.00 C ATOM 1530 CD LYS A 93 32.593 1.641 -7.340 1.00 0.00 C ATOM 1531 CE LYS A 93 31.908 0.517 -6.526 1.00 0.00 C ATOM 1532 NZ LYS A 93 31.177 0.962 -5.306 1.00 0.00 N ATOM 0 H LYS A 93 32.061 5.703 -4.805 1.00 0.00 H new ATOM 0 HA LYS A 93 31.892 2.783 -4.986 1.00 0.00 H new ATOM 0 HB2 LYS A 93 32.913 4.282 -6.901 1.00 0.00 H new ATOM 0 HB3 LYS A 93 34.321 4.255 -5.857 1.00 0.00 H new ATOM 0 HG2 LYS A 93 34.604 2.434 -7.357 1.00 0.00 H new ATOM 0 HG3 LYS A 93 34.138 1.713 -5.829 1.00 0.00 H new ATOM 0 HD2 LYS A 93 31.845 2.396 -7.583 1.00 0.00 H new ATOM 0 HD3 LYS A 93 32.940 1.221 -8.284 1.00 0.00 H new ATOM 0 HE2 LYS A 93 31.207 -0.004 -7.178 1.00 0.00 H new ATOM 0 HE3 LYS A 93 32.667 -0.207 -6.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 30.381 0.318 -5.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 31.823 0.952 -4.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 30.816 1.927 -5.450 1.00 0.00 H new ATOM 1546 N ASP A 94 33.885 2.389 -3.462 1.00 0.00 N ATOM 1547 CA ASP A 94 34.559 2.027 -2.254 1.00 0.00 C ATOM 1548 C ASP A 94 36.037 1.946 -2.535 1.00 0.00 C ATOM 1549 O ASP A 94 36.828 2.764 -2.057 1.00 0.00 O ATOM 1550 CB ASP A 94 34.046 0.655 -1.783 1.00 0.00 C ATOM 1551 CG ASP A 94 32.537 0.579 -1.700 1.00 0.00 C ATOM 1552 OD1 ASP A 94 31.878 0.351 -2.764 1.00 0.00 O ATOM 1553 OD2 ASP A 94 31.977 0.732 -0.589 1.00 0.00 O ATOM 0 H ASP A 94 33.898 1.660 -4.176 1.00 0.00 H new ATOM 0 HA ASP A 94 34.370 2.768 -1.477 1.00 0.00 H new ATOM 0 HB2 ASP A 94 34.405 -0.114 -2.467 1.00 0.00 H new ATOM 0 HB3 ASP A 94 34.469 0.433 -0.803 1.00 0.00 H new ATOM 1558 N LEU A 95 36.405 0.984 -3.356 1.00 0.00 N ATOM 1559 CA LEU A 95 37.785 0.780 -3.733 1.00 0.00 C ATOM 1560 C LEU A 95 37.939 0.964 -5.227 1.00 0.00 C ATOM 1561 O LEU A 95 38.717 1.804 -5.676 1.00 0.00 O ATOM 1562 CB LEU A 95 38.310 -0.623 -3.326 1.00 0.00 C ATOM 1563 CG LEU A 95 38.452 -0.952 -1.823 1.00 0.00 C ATOM 1564 CD1 LEU A 95 39.243 0.116 -1.090 1.00 0.00 C ATOM 1565 CD2 LEU A 95 37.110 -1.221 -1.153 1.00 0.00 C ATOM 0 H LEU A 95 35.754 0.322 -3.780 1.00 0.00 H new ATOM 0 HA LEU A 95 38.379 1.520 -3.197 1.00 0.00 H new ATOM 0 HB2 LEU A 95 37.645 -1.366 -3.766 1.00 0.00 H new ATOM 0 HB3 LEU A 95 39.288 -0.757 -3.788 1.00 0.00 H new ATOM 0 HG LEU A 95 39.019 -1.881 -1.760 1.00 0.00 H new ATOM 0 HD11 LEU A 95 39.322 -0.149 -0.036 1.00 0.00 H new ATOM 0 HD12 LEU A 95 40.241 0.190 -1.522 1.00 0.00 H new ATOM 0 HD13 LEU A 95 38.734 1.075 -1.185 1.00 0.00 H new ATOM 0 HD21 LEU A 95 37.269 -1.447 -0.098 1.00 0.00 H new ATOM 0 HD22 LEU A 95 36.475 -0.340 -1.244 1.00 0.00 H new ATOM 0 HD23 LEU A 95 36.625 -2.069 -1.637 1.00 0.00 H new ATOM 1577 N GLU A 96 37.175 0.196 -5.987 1.00 0.00 N ATOM 1578 CA GLU A 96 37.226 0.211 -7.432 1.00 0.00 C ATOM 1579 C GLU A 96 36.132 -0.691 -7.972 1.00 0.00 C ATOM 1580 O GLU A 96 36.303 -1.918 -7.917 1.00 0.00 O ATOM 1581 CB GLU A 96 38.586 -0.273 -7.947 1.00 0.00 C ATOM 1582 CG GLU A 96 38.725 -0.212 -9.454 1.00 0.00 C ATOM 1583 CD GLU A 96 40.025 -0.770 -9.917 1.00 0.00 C ATOM 1584 OE1 GLU A 96 41.014 -0.020 -9.963 1.00 0.00 O ATOM 1585 OE2 GLU A 96 40.085 -1.981 -10.236 1.00 0.00 O ATOM 1586 OXT GLU A 96 35.105 -0.188 -8.459 1.00 0.00 O ATOM 0 H GLU A 96 36.494 -0.463 -5.608 1.00 0.00 H new ATOM 0 HA GLU A 96 37.080 1.236 -7.774 1.00 0.00 H new ATOM 0 HB2 GLU A 96 39.372 0.332 -7.494 1.00 0.00 H new ATOM 0 HB3 GLU A 96 38.744 -1.300 -7.618 1.00 0.00 H new ATOM 0 HG2 GLU A 96 37.908 -0.766 -9.916 1.00 0.00 H new ATOM 0 HG3 GLU A 96 38.636 0.823 -9.785 1.00 0.00 H new TER 1593 GLU A 96