USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 574 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 61 SER OG : rot -68:sc= 1.3 USER MOD Set 1.2: A 63 GLN : amide:sc= 0.795 K(o=2.1,f=-0.15) USER MOD Set 2.1: A 31 THR OG1 : rot 180:sc= 0.29 USER MOD Set 2.2: A 32 SER OG : rot 180:sc= 0.00508 USER MOD Single : A 1 LYS NZ :NH3+ -143:sc= -1.46 (180deg=-3.83!) USER MOD Single : A 2 ASN : amide:sc= 0.497 X(o=0.5,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -4 LYS NZ :NH3+ 164:sc= -0.0454 (180deg=-0.365) USER MOD Single : A -5 TYR OH : rot 180:sc= 0 USER MOD Single : A -7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -7 MET N :NH3+ -178:sc= 0 (180deg=-0.00733) USER MOD Single : A 10 SER OG : rot -53:sc= 0.623 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.159 USER MOD Single : A 17 GLN : amide:sc= -1.08 K(o=-1.1,f=-8.6!) USER MOD Single : A 19 ASN : amide:sc= -0.564 K(o=-0.56,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc=-0.00327 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 28 LYS NZ :NH3+ -161:sc= -0.0958 (180deg=-0.454) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.0095) USER MOD Single : A 49 MET CE :methyl -166:sc= -0.0752 (180deg=-0.404) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 162:sc= -0.108 (180deg=-0.608) USER MOD Single : A 58 LYS NZ :NH3+ 167:sc= -0.0337 (180deg=-0.232) USER MOD Single : A 62 LYS NZ :NH3+ -168:sc= 1.27 (180deg=1.13) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -7 -30.400 22.436 36.004 1.00 20.00 N ATOM 2 CA MET A -7 -30.382 21.007 35.605 1.00 20.00 C ATOM 3 C MET A -7 -30.557 20.866 34.099 1.00 20.00 C ATOM 4 O MET A -7 -29.722 20.263 33.424 1.00 20.00 O ATOM 5 CB MET A -7 -31.481 20.228 36.335 1.00 20.00 C ATOM 6 CG MET A -7 -31.227 20.070 37.825 1.00 20.00 C ATOM 7 SD MET A -7 -29.676 19.219 38.173 1.00 20.00 S ATOM 8 CE MET A -7 -29.685 19.219 39.965 1.00 20.00 C ATOM 0 H1 MET A -7 -30.245 22.512 37.030 1.00 20.00 H new ATOM 0 H2 MET A -7 -29.646 22.946 35.501 1.00 20.00 H new ATOM 0 H3 MET A -7 -31.321 22.853 35.761 1.00 20.00 H new ATOM 0 HA MET A -7 -29.414 20.592 35.884 1.00 20.00 H new ATOM 0 HB2 MET A -7 -32.434 20.737 36.189 1.00 20.00 H new ATOM 0 HB3 MET A -7 -31.575 19.240 35.884 1.00 20.00 H new ATOM 0 HG2 MET A -7 -31.211 21.054 38.294 1.00 20.00 H new ATOM 0 HG3 MET A -7 -32.051 19.516 38.274 1.00 20.00 H new ATOM 0 HE1 MET A -7 -28.786 18.725 40.333 1.00 20.00 H new ATOM 0 HE2 MET A -7 -29.710 20.246 40.329 1.00 20.00 H new ATOM 0 HE3 MET A -7 -30.565 18.686 40.324 1.00 20.00 H new ATOM 20 N ASP A -6 -31.636 21.428 33.574 1.00 20.00 N ATOM 21 CA ASP A -6 -31.898 21.386 32.141 1.00 20.00 C ATOM 22 C ASP A -6 -32.415 22.735 31.652 1.00 20.00 C ATOM 23 O ASP A -6 -33.593 23.056 31.815 1.00 20.00 O ATOM 24 CB ASP A -6 -32.912 20.286 31.812 1.00 20.00 C ATOM 25 CG ASP A -6 -33.243 20.227 30.333 1.00 20.00 C ATOM 26 OD1 ASP A -6 -32.495 19.578 29.573 1.00 20.00 O ATOM 27 OD2 ASP A -6 -34.256 20.828 29.920 1.00 20.00 O ATOM 0 H ASP A -6 -32.345 21.919 34.118 1.00 20.00 H new ATOM 0 HA ASP A -6 -30.961 21.163 31.630 1.00 20.00 H new ATOM 0 HB2 ASP A -6 -32.515 19.322 32.131 1.00 20.00 H new ATOM 0 HB3 ASP A -6 -33.827 20.457 32.380 1.00 20.00 H new ATOM 32 N TYR A -5 -31.528 23.529 31.074 1.00 20.00 N ATOM 33 CA TYR A -5 -31.897 24.835 30.539 1.00 20.00 C ATOM 34 C TYR A -5 -31.338 24.999 29.133 1.00 20.00 C ATOM 35 O TYR A -5 -30.218 25.482 28.965 1.00 20.00 O ATOM 36 CB TYR A -5 -31.375 25.966 31.434 1.00 20.00 C ATOM 37 CG TYR A -5 -32.008 26.012 32.806 1.00 20.00 C ATOM 38 CD1 TYR A -5 -33.325 26.420 32.973 1.00 20.00 C ATOM 39 CD2 TYR A -5 -31.283 25.654 33.935 1.00 20.00 C ATOM 40 CE1 TYR A -5 -33.901 26.466 34.226 1.00 20.00 C ATOM 41 CE2 TYR A -5 -31.853 25.698 35.191 1.00 20.00 C ATOM 42 CZ TYR A -5 -33.161 26.105 35.331 1.00 20.00 C ATOM 43 OH TYR A -5 -33.733 26.153 36.583 1.00 20.00 O ATOM 0 H TYR A -5 -30.542 23.293 30.962 1.00 20.00 H new ATOM 0 HA TYR A -5 -32.985 24.892 30.509 1.00 20.00 H new ATOM 0 HB2 TYR A -5 -30.296 25.856 31.547 1.00 20.00 H new ATOM 0 HB3 TYR A -5 -31.548 26.919 30.934 1.00 20.00 H new ATOM 0 HD1 TYR A -5 -33.907 26.706 32.109 1.00 20.00 H new ATOM 0 HD2 TYR A -5 -30.256 25.336 33.828 1.00 20.00 H new ATOM 0 HE1 TYR A -5 -34.927 26.783 34.340 1.00 20.00 H new ATOM 0 HE2 TYR A -5 -31.276 25.415 36.059 1.00 20.00 H new ATOM 0 HH TYR A -5 -33.078 25.866 37.253 1.00 20.00 H new ATOM 53 N LYS A -4 -32.122 24.580 28.141 1.00 20.00 N ATOM 54 CA LYS A -4 -31.710 24.637 26.737 1.00 20.00 C ATOM 55 C LYS A -4 -30.418 23.853 26.535 1.00 20.00 C ATOM 56 O LYS A -4 -29.322 24.416 26.564 1.00 20.00 O ATOM 57 CB LYS A -4 -31.542 26.090 26.279 1.00 20.00 C ATOM 58 CG LYS A -4 -31.211 26.233 24.802 1.00 20.00 C ATOM 59 CD LYS A -4 -31.079 27.691 24.396 1.00 20.00 C ATOM 60 CE LYS A -4 -30.784 27.831 22.911 1.00 20.00 C ATOM 61 NZ LYS A -4 -31.834 27.200 22.071 1.00 20.00 N ATOM 0 H LYS A -4 -33.055 24.194 28.285 1.00 20.00 H new ATOM 0 HA LYS A -4 -32.490 24.181 26.128 1.00 20.00 H new ATOM 0 HB2 LYS A -4 -32.461 26.636 26.490 1.00 20.00 H new ATOM 0 HB3 LYS A -4 -30.751 26.557 26.866 1.00 20.00 H new ATOM 0 HG2 LYS A -4 -30.280 25.709 24.585 1.00 20.00 H new ATOM 0 HG3 LYS A -4 -31.991 25.758 24.206 1.00 20.00 H new ATOM 0 HD2 LYS A -4 -32.000 28.222 24.637 1.00 20.00 H new ATOM 0 HD3 LYS A -4 -30.281 28.160 24.972 1.00 20.00 H new ATOM 0 HE2 LYS A -4 -30.703 28.888 22.656 1.00 20.00 H new ATOM 0 HE3 LYS A -4 -29.820 27.374 22.689 1.00 20.00 H new ATOM 0 HZ1 LYS A -4 -31.748 27.542 21.093 1.00 20.00 H new ATOM 0 HZ2 LYS A -4 -31.718 26.167 22.088 1.00 20.00 H new ATOM 0 HZ3 LYS A -4 -32.773 27.449 22.443 1.00 20.00 H new ATOM 75 N ASP A -3 -30.561 22.549 26.347 1.00 20.00 N ATOM 76 CA ASP A -3 -29.412 21.658 26.242 1.00 20.00 C ATOM 77 C ASP A -3 -28.488 22.032 25.090 1.00 20.00 C ATOM 78 O ASP A -3 -28.883 22.018 23.922 1.00 20.00 O ATOM 79 CB ASP A -3 -29.850 20.205 26.076 1.00 20.00 C ATOM 80 CG ASP A -3 -28.681 19.315 25.707 1.00 20.00 C ATOM 81 OD1 ASP A -3 -27.802 19.093 26.570 1.00 20.00 O ATOM 82 OD2 ASP A -3 -28.622 18.857 24.547 1.00 20.00 O ATOM 0 H ASP A -3 -31.464 22.082 26.264 1.00 20.00 H new ATOM 0 HA ASP A -3 -28.860 21.770 27.175 1.00 20.00 H new ATOM 0 HB2 ASP A -3 -30.301 19.851 27.003 1.00 20.00 H new ATOM 0 HB3 ASP A -3 -30.617 20.140 25.304 1.00 20.00 H new ATOM 87 N ASP A -2 -27.262 22.371 25.443 1.00 20.00 N ATOM 88 CA ASP A -2 -26.202 22.592 24.472 1.00 20.00 C ATOM 89 C ASP A -2 -25.131 21.525 24.671 1.00 20.00 C ATOM 90 O ASP A -2 -24.360 21.203 23.766 1.00 20.00 O ATOM 91 CB ASP A -2 -25.604 23.987 24.662 1.00 20.00 C ATOM 92 CG ASP A -2 -24.616 24.367 23.578 1.00 20.00 C ATOM 93 OD1 ASP A -2 -23.419 24.046 23.713 1.00 20.00 O ATOM 94 OD2 ASP A -2 -25.029 25.014 22.591 1.00 20.00 O ATOM 0 H ASP A -2 -26.971 22.501 26.412 1.00 20.00 H new ATOM 0 HA ASP A -2 -26.602 22.526 23.460 1.00 20.00 H new ATOM 0 HB2 ASP A -2 -26.410 24.721 24.683 1.00 20.00 H new ATOM 0 HB3 ASP A -2 -25.106 24.033 25.630 1.00 20.00 H new ATOM 99 N ASP A -1 -25.128 20.964 25.874 1.00 20.00 N ATOM 100 CA ASP A -1 -24.148 19.965 26.285 1.00 20.00 C ATOM 101 C ASP A -1 -24.264 18.686 25.462 1.00 20.00 C ATOM 102 O ASP A -1 -23.279 18.223 24.884 1.00 20.00 O ATOM 103 CB ASP A -1 -24.326 19.646 27.770 1.00 20.00 C ATOM 104 CG ASP A -1 -23.331 18.622 28.275 1.00 20.00 C ATOM 105 OD1 ASP A -1 -22.199 19.015 28.625 1.00 20.00 O ATOM 106 OD2 ASP A -1 -23.683 17.427 28.341 1.00 20.00 O ATOM 0 H ASP A -1 -25.810 21.191 26.597 1.00 20.00 H new ATOM 0 HA ASP A -1 -23.155 20.381 26.113 1.00 20.00 H new ATOM 0 HB2 ASP A -1 -24.221 20.564 28.349 1.00 20.00 H new ATOM 0 HB3 ASP A -1 -25.338 19.277 27.939 1.00 20.00 H new ATOM 111 N ASP A 0 -25.462 18.120 25.403 1.00 20.00 N ATOM 112 CA ASP A 0 -25.686 16.886 24.654 1.00 20.00 C ATOM 113 C ASP A 0 -25.772 17.176 23.162 1.00 20.00 C ATOM 114 O ASP A 0 -25.399 16.347 22.330 1.00 20.00 O ATOM 115 CB ASP A 0 -26.962 16.189 25.132 1.00 20.00 C ATOM 116 CG ASP A 0 -27.306 14.968 24.304 1.00 20.00 C ATOM 117 OD1 ASP A 0 -26.647 13.917 24.479 1.00 20.00 O ATOM 118 OD2 ASP A 0 -28.236 15.051 23.471 1.00 20.00 O ATOM 0 H ASP A 0 -26.293 18.493 25.863 1.00 20.00 H new ATOM 0 HA ASP A 0 -24.841 16.221 24.832 1.00 20.00 H new ATOM 0 HB2 ASP A 0 -26.841 15.894 26.174 1.00 20.00 H new ATOM 0 HB3 ASP A 0 -27.792 16.894 25.094 1.00 20.00 H new ATOM 123 N LYS A 1 -26.253 18.367 22.837 1.00 20.00 N ATOM 124 CA LYS A 1 -26.383 18.800 21.453 1.00 20.00 C ATOM 125 C LYS A 1 -25.019 18.846 20.766 1.00 20.00 C ATOM 126 O LYS A 1 -24.900 18.489 19.591 1.00 20.00 O ATOM 127 CB LYS A 1 -27.053 20.180 21.401 1.00 20.00 C ATOM 128 CG LYS A 1 -27.422 20.643 19.997 1.00 20.00 C ATOM 129 CD LYS A 1 -28.440 19.724 19.319 1.00 20.00 C ATOM 130 CE LYS A 1 -29.858 19.889 19.869 1.00 20.00 C ATOM 131 NZ LYS A 1 -30.010 19.364 21.255 1.00 20.00 N ATOM 0 H LYS A 1 -26.563 19.057 23.521 1.00 20.00 H new ATOM 0 HA LYS A 1 -27.005 18.080 20.921 1.00 20.00 H new ATOM 0 HB2 LYS A 1 -27.955 20.157 22.012 1.00 20.00 H new ATOM 0 HB3 LYS A 1 -26.383 20.914 21.849 1.00 20.00 H new ATOM 0 HG2 LYS A 1 -27.828 21.653 20.047 1.00 20.00 H new ATOM 0 HG3 LYS A 1 -26.520 20.692 19.387 1.00 20.00 H new ATOM 0 HD2 LYS A 1 -28.446 19.927 18.248 1.00 20.00 H new ATOM 0 HD3 LYS A 1 -28.126 18.688 19.446 1.00 20.00 H new ATOM 0 HE2 LYS A 1 -30.126 20.945 19.855 1.00 20.00 H new ATOM 0 HE3 LYS A 1 -30.559 19.373 19.212 1.00 20.00 H new ATOM 0 HZ1 LYS A 1 -30.945 18.921 21.358 1.00 20.00 H new ATOM 0 HZ2 LYS A 1 -29.270 18.657 21.442 1.00 20.00 H new ATOM 0 HZ3 LYS A 1 -29.921 20.146 21.934 1.00 20.00 H new ATOM 145 N ASN A 2 -23.999 19.271 21.514 1.00 20.00 N ATOM 146 CA ASN A 2 -22.630 19.394 21.001 1.00 20.00 C ATOM 147 C ASN A 2 -22.526 20.480 19.934 1.00 20.00 C ATOM 148 O ASN A 2 -23.524 20.893 19.341 1.00 20.00 O ATOM 149 CB ASN A 2 -22.114 18.060 20.442 1.00 20.00 C ATOM 150 CG ASN A 2 -21.617 17.118 21.523 1.00 20.00 C ATOM 151 OD1 ASN A 2 -20.438 17.130 21.876 1.00 20.00 O ATOM 152 ND2 ASN A 2 -22.507 16.294 22.054 1.00 20.00 N ATOM 0 H ASN A 2 -24.097 19.540 22.493 1.00 20.00 H new ATOM 0 HA ASN A 2 -22.004 19.679 21.846 1.00 20.00 H new ATOM 0 HB2 ASN A 2 -22.913 17.573 19.883 1.00 20.00 H new ATOM 0 HB3 ASN A 2 -21.305 18.256 19.738 1.00 20.00 H new ATOM 0 HD21 ASN A 2 -22.224 15.639 22.783 1.00 20.00 H new ATOM 0 HD22 ASN A 2 -23.475 16.315 21.734 1.00 20.00 H new ATOM 159 N ARG A 3 -21.313 20.950 19.695 1.00 20.00 N ATOM 160 CA ARG A 3 -21.084 21.990 18.706 1.00 20.00 C ATOM 161 C ARG A 3 -20.013 21.557 17.715 1.00 20.00 C ATOM 162 O ARG A 3 -19.035 20.913 18.096 1.00 20.00 O ATOM 163 CB ARG A 3 -20.675 23.300 19.391 1.00 20.00 C ATOM 164 CG ARG A 3 -21.756 23.887 20.289 1.00 20.00 C ATOM 165 CD ARG A 3 -21.304 25.181 20.949 1.00 20.00 C ATOM 166 NE ARG A 3 -22.368 25.775 21.755 1.00 20.00 N ATOM 167 CZ ARG A 3 -22.418 27.056 22.113 1.00 20.00 C ATOM 168 NH1 ARG A 3 -21.457 27.896 21.751 1.00 20.00 N ATOM 169 NH2 ARG A 3 -23.440 27.493 22.836 1.00 20.00 N ATOM 0 H ARG A 3 -20.471 20.628 20.173 1.00 20.00 H new ATOM 0 HA ARG A 3 -22.013 22.157 18.162 1.00 20.00 H new ATOM 0 HB2 ARG A 3 -19.778 23.124 19.985 1.00 20.00 H new ATOM 0 HB3 ARG A 3 -20.413 24.032 18.627 1.00 20.00 H new ATOM 0 HG2 ARG A 3 -22.655 24.074 19.701 1.00 20.00 H new ATOM 0 HG3 ARG A 3 -22.023 23.162 21.057 1.00 20.00 H new ATOM 0 HD2 ARG A 3 -20.436 24.985 21.579 1.00 20.00 H new ATOM 0 HD3 ARG A 3 -20.988 25.890 20.183 1.00 20.00 H new ATOM 0 HE ARG A 3 -23.125 25.166 22.065 1.00 20.00 H new ATOM 0 HH11 ARG A 3 -20.671 27.562 21.193 1.00 20.00 H new ATOM 0 HH12 ARG A 3 -21.504 28.876 22.030 1.00 20.00 H new ATOM 0 HH21 ARG A 3 -24.181 26.849 23.114 1.00 20.00 H new ATOM 0 HH22 ARG A 3 -23.486 28.473 23.114 1.00 20.00 H new ATOM 183 N ALA A 4 -20.227 21.907 16.446 1.00 20.00 N ATOM 184 CA ALA A 4 -19.298 21.606 15.356 1.00 20.00 C ATOM 185 C ALA A 4 -19.193 20.108 15.082 1.00 20.00 C ATOM 186 O ALA A 4 -19.819 19.597 14.152 1.00 20.00 O ATOM 187 CB ALA A 4 -17.923 22.204 15.626 1.00 20.00 C ATOM 0 H ALA A 4 -21.059 22.413 16.143 1.00 20.00 H new ATOM 0 HA ALA A 4 -19.705 22.070 14.457 1.00 20.00 H new ATOM 0 HB1 ALA A 4 -17.253 21.965 14.800 1.00 20.00 H new ATOM 0 HB2 ALA A 4 -18.009 23.286 15.721 1.00 20.00 H new ATOM 0 HB3 ALA A 4 -17.521 21.789 16.551 1.00 20.00 H new ATOM 193 N LEU A 5 -18.417 19.405 15.895 1.00 20.00 N ATOM 194 CA LEU A 5 -18.161 17.992 15.672 1.00 20.00 C ATOM 195 C LEU A 5 -18.446 17.182 16.929 1.00 20.00 C ATOM 196 O LEU A 5 -17.881 17.443 17.990 1.00 20.00 O ATOM 197 CB LEU A 5 -16.704 17.775 15.239 1.00 20.00 C ATOM 198 CG LEU A 5 -16.273 18.505 13.961 1.00 20.00 C ATOM 199 CD1 LEU A 5 -14.788 18.301 13.706 1.00 20.00 C ATOM 200 CD2 LEU A 5 -17.084 18.032 12.763 1.00 20.00 C ATOM 0 H LEU A 5 -17.953 19.793 16.717 1.00 20.00 H new ATOM 0 HA LEU A 5 -18.827 17.652 14.879 1.00 20.00 H new ATOM 0 HB2 LEU A 5 -16.052 18.091 16.053 1.00 20.00 H new ATOM 0 HB3 LEU A 5 -16.542 16.706 15.097 1.00 20.00 H new ATOM 0 HG LEU A 5 -16.461 19.569 14.101 1.00 20.00 H new ATOM 0 HD11 LEU A 5 -14.500 18.826 12.795 1.00 20.00 H new ATOM 0 HD12 LEU A 5 -14.217 18.694 14.547 1.00 20.00 H new ATOM 0 HD13 LEU A 5 -14.581 17.237 13.592 1.00 20.00 H new ATOM 0 HD21 LEU A 5 -16.759 18.565 11.870 1.00 20.00 H new ATOM 0 HD22 LEU A 5 -16.934 16.962 12.622 1.00 20.00 H new ATOM 0 HD23 LEU A 5 -18.141 18.230 12.939 1.00 20.00 H new ATOM 212 N SER A 6 -19.333 16.212 16.805 1.00 20.00 N ATOM 213 CA SER A 6 -19.613 15.290 17.892 1.00 20.00 C ATOM 214 C SER A 6 -18.656 14.100 17.799 1.00 20.00 C ATOM 215 O SER A 6 -18.150 13.804 16.714 1.00 20.00 O ATOM 216 CB SER A 6 -21.066 14.815 17.808 1.00 20.00 C ATOM 217 OG SER A 6 -21.964 15.914 17.751 1.00 20.00 O ATOM 0 H SER A 6 -19.875 16.041 15.958 1.00 20.00 H new ATOM 0 HA SER A 6 -19.468 15.792 18.849 1.00 20.00 H new ATOM 0 HB2 SER A 6 -21.196 14.190 16.925 1.00 20.00 H new ATOM 0 HB3 SER A 6 -21.299 14.196 18.674 1.00 20.00 H new ATOM 0 HG SER A 6 -22.884 15.582 17.696 1.00 20.00 H new ATOM 223 N PRO A 7 -18.377 13.411 18.927 1.00 20.00 N ATOM 224 CA PRO A 7 -17.478 12.241 18.957 1.00 20.00 C ATOM 225 C PRO A 7 -18.082 11.017 18.266 1.00 20.00 C ATOM 226 O PRO A 7 -18.105 9.916 18.821 1.00 20.00 O ATOM 227 CB PRO A 7 -17.281 11.961 20.456 1.00 20.00 C ATOM 228 CG PRO A 7 -17.847 13.142 21.170 1.00 20.00 C ATOM 229 CD PRO A 7 -18.896 13.722 20.265 1.00 20.00 C ATOM 0 HA PRO A 7 -16.549 12.442 18.424 1.00 20.00 H new ATOM 0 HB2 PRO A 7 -17.791 11.044 20.752 1.00 20.00 H new ATOM 0 HB3 PRO A 7 -16.225 11.830 20.694 1.00 20.00 H new ATOM 0 HG2 PRO A 7 -18.279 12.847 22.126 1.00 20.00 H new ATOM 0 HG3 PRO A 7 -17.070 13.876 21.384 1.00 20.00 H new ATOM 0 HD2 PRO A 7 -19.873 13.269 20.436 1.00 20.00 H new ATOM 0 HD3 PRO A 7 -19.011 14.795 20.415 1.00 20.00 H new ATOM 237 N MET A 8 -18.552 11.224 17.047 1.00 20.00 N ATOM 238 CA MET A 8 -19.200 10.189 16.259 1.00 20.00 C ATOM 239 C MET A 8 -19.404 10.691 14.834 1.00 20.00 C ATOM 240 O MET A 8 -20.522 10.727 14.321 1.00 20.00 O ATOM 241 CB MET A 8 -20.540 9.779 16.893 1.00 20.00 C ATOM 242 CG MET A 8 -21.490 10.942 17.151 1.00 20.00 C ATOM 243 SD MET A 8 -23.032 10.420 17.930 1.00 20.00 S ATOM 244 CE MET A 8 -23.875 11.992 18.090 1.00 20.00 C ATOM 0 H MET A 8 -18.494 12.125 16.572 1.00 20.00 H new ATOM 0 HA MET A 8 -18.562 9.305 16.237 1.00 20.00 H new ATOM 0 HB2 MET A 8 -21.033 9.059 16.240 1.00 20.00 H new ATOM 0 HB3 MET A 8 -20.342 9.270 17.836 1.00 20.00 H new ATOM 0 HG2 MET A 8 -20.996 11.675 17.788 1.00 20.00 H new ATOM 0 HG3 MET A 8 -21.714 11.439 16.207 1.00 20.00 H new ATOM 0 HE1 MET A 8 -24.848 11.837 18.556 1.00 20.00 H new ATOM 0 HE2 MET A 8 -23.279 12.663 18.708 1.00 20.00 H new ATOM 0 HE3 MET A 8 -24.012 12.433 17.103 1.00 20.00 H new ATOM 254 N VAL A 9 -18.316 11.102 14.205 1.00 20.00 N ATOM 255 CA VAL A 9 -18.383 11.650 12.858 1.00 20.00 C ATOM 256 C VAL A 9 -18.241 10.555 11.808 1.00 20.00 C ATOM 257 O VAL A 9 -17.420 9.646 11.951 1.00 20.00 O ATOM 258 CB VAL A 9 -17.317 12.744 12.614 1.00 20.00 C ATOM 259 CG1 VAL A 9 -17.586 13.959 13.489 1.00 20.00 C ATOM 260 CG2 VAL A 9 -15.912 12.214 12.861 1.00 20.00 C ATOM 0 H VAL A 9 -17.377 11.067 14.603 1.00 20.00 H new ATOM 0 HA VAL A 9 -19.367 12.110 12.765 1.00 20.00 H new ATOM 0 HB VAL A 9 -17.384 13.044 11.568 1.00 20.00 H new ATOM 0 HG11 VAL A 9 -16.825 14.717 13.303 1.00 20.00 H new ATOM 0 HG12 VAL A 9 -18.569 14.366 13.254 1.00 20.00 H new ATOM 0 HG13 VAL A 9 -17.556 13.665 14.538 1.00 20.00 H new ATOM 0 HG21 VAL A 9 -15.187 13.008 12.681 1.00 20.00 H new ATOM 0 HG22 VAL A 9 -15.828 11.873 13.893 1.00 20.00 H new ATOM 0 HG23 VAL A 9 -15.714 11.381 12.186 1.00 20.00 H new ATOM 270 N SER A 10 -19.073 10.640 10.774 1.00 20.00 N ATOM 271 CA SER A 10 -19.013 9.727 9.638 1.00 20.00 C ATOM 272 C SER A 10 -19.301 8.287 10.071 1.00 20.00 C ATOM 273 O SER A 10 -18.624 7.345 9.649 1.00 20.00 O ATOM 274 CB SER A 10 -17.646 9.829 8.949 1.00 20.00 C ATOM 275 OG SER A 10 -17.622 9.100 7.734 1.00 20.00 O ATOM 0 H SER A 10 -19.808 11.344 10.700 1.00 20.00 H new ATOM 0 HA SER A 10 -19.784 10.016 8.924 1.00 20.00 H new ATOM 0 HB2 SER A 10 -17.414 10.876 8.751 1.00 20.00 H new ATOM 0 HB3 SER A 10 -16.872 9.451 9.617 1.00 20.00 H new ATOM 0 HG SER A 10 -17.911 8.178 7.900 1.00 20.00 H new ATOM 281 N GLU A 11 -20.308 8.127 10.919 1.00 20.00 N ATOM 282 CA GLU A 11 -20.742 6.805 11.352 1.00 20.00 C ATOM 283 C GLU A 11 -21.513 6.114 10.232 1.00 20.00 C ATOM 284 O GLU A 11 -22.684 6.412 9.995 1.00 20.00 O ATOM 285 CB GLU A 11 -21.622 6.906 12.600 1.00 20.00 C ATOM 286 CG GLU A 11 -20.913 7.485 13.812 1.00 20.00 C ATOM 287 CD GLU A 11 -19.824 6.578 14.343 1.00 20.00 C ATOM 288 OE1 GLU A 11 -18.687 6.643 13.840 1.00 20.00 O ATOM 289 OE2 GLU A 11 -20.104 5.788 15.271 1.00 20.00 O ATOM 0 H GLU A 11 -20.841 8.898 11.322 1.00 20.00 H new ATOM 0 HA GLU A 11 -19.857 6.217 11.596 1.00 20.00 H new ATOM 0 HB2 GLU A 11 -22.490 7.524 12.371 1.00 20.00 H new ATOM 0 HB3 GLU A 11 -21.995 5.913 12.850 1.00 20.00 H new ATOM 0 HG2 GLU A 11 -20.479 8.449 13.547 1.00 20.00 H new ATOM 0 HG3 GLU A 11 -21.643 7.669 14.600 1.00 20.00 H new ATOM 296 N PHE A 12 -20.850 5.201 9.540 1.00 20.00 N ATOM 297 CA PHE A 12 -21.468 4.493 8.429 1.00 20.00 C ATOM 298 C PHE A 12 -22.324 3.333 8.921 1.00 20.00 C ATOM 299 O PHE A 12 -21.920 2.172 8.834 1.00 20.00 O ATOM 300 CB PHE A 12 -20.411 3.968 7.455 1.00 20.00 C ATOM 301 CG PHE A 12 -19.748 5.037 6.630 1.00 20.00 C ATOM 302 CD1 PHE A 12 -20.414 5.607 5.554 1.00 20.00 C ATOM 303 CD2 PHE A 12 -18.460 5.461 6.916 1.00 20.00 C ATOM 304 CE1 PHE A 12 -19.807 6.580 4.785 1.00 20.00 C ATOM 305 CE2 PHE A 12 -17.851 6.435 6.150 1.00 20.00 C ATOM 306 CZ PHE A 12 -18.525 6.996 5.081 1.00 20.00 C ATOM 0 H PHE A 12 -19.884 4.933 9.728 1.00 20.00 H new ATOM 0 HA PHE A 12 -22.107 5.207 7.909 1.00 20.00 H new ATOM 0 HB2 PHE A 12 -19.647 3.434 8.019 1.00 20.00 H new ATOM 0 HB3 PHE A 12 -20.877 3.245 6.786 1.00 20.00 H new ATOM 0 HD1 PHE A 12 -21.417 5.286 5.316 1.00 20.00 H new ATOM 0 HD2 PHE A 12 -17.927 5.025 7.747 1.00 20.00 H new ATOM 0 HE1 PHE A 12 -20.336 7.016 3.951 1.00 20.00 H new ATOM 0 HE2 PHE A 12 -16.848 6.759 6.386 1.00 20.00 H new ATOM 0 HZ PHE A 12 -18.050 7.757 4.480 1.00 20.00 H new ATOM 316 N GLU A 13 -23.501 3.648 9.441 1.00 20.00 N ATOM 317 CA GLU A 13 -24.450 2.615 9.829 1.00 20.00 C ATOM 318 C GLU A 13 -24.972 1.933 8.573 1.00 20.00 C ATOM 319 O GLU A 13 -24.896 0.710 8.441 1.00 20.00 O ATOM 320 CB GLU A 13 -25.610 3.200 10.642 1.00 20.00 C ATOM 321 CG GLU A 13 -25.187 3.819 11.966 1.00 20.00 C ATOM 322 CD GLU A 13 -26.368 4.298 12.781 1.00 20.00 C ATOM 323 OE1 GLU A 13 -26.835 5.431 12.551 1.00 20.00 O ATOM 324 OE2 GLU A 13 -26.845 3.538 13.651 1.00 20.00 O ATOM 0 H GLU A 13 -23.820 4.603 9.603 1.00 20.00 H new ATOM 0 HA GLU A 13 -23.944 1.888 10.464 1.00 20.00 H new ATOM 0 HB2 GLU A 13 -26.114 3.958 10.043 1.00 20.00 H new ATOM 0 HB3 GLU A 13 -26.337 2.412 10.837 1.00 20.00 H new ATOM 0 HG2 GLU A 13 -24.624 3.086 12.543 1.00 20.00 H new ATOM 0 HG3 GLU A 13 -24.517 4.657 11.775 1.00 20.00 H new ATOM 331 N THR A 14 -25.465 2.757 7.645 1.00 20.00 N ATOM 332 CA THR A 14 -25.907 2.314 6.322 1.00 20.00 C ATOM 333 C THR A 14 -26.756 1.045 6.383 1.00 20.00 C ATOM 334 O THR A 14 -26.438 0.039 5.751 1.00 20.00 O ATOM 335 CB THR A 14 -24.699 2.096 5.378 1.00 20.00 C ATOM 336 OG1 THR A 14 -23.750 1.196 5.967 1.00 20.00 O ATOM 337 CG2 THR A 14 -24.014 3.418 5.067 1.00 20.00 C ATOM 0 H THR A 14 -25.569 3.761 7.793 1.00 20.00 H new ATOM 0 HA THR A 14 -26.535 3.111 5.923 1.00 20.00 H new ATOM 0 HB THR A 14 -25.076 1.662 4.452 1.00 20.00 H new ATOM 0 HG1 THR A 14 -22.995 1.070 5.355 1.00 20.00 H new ATOM 0 HG21 THR A 14 -23.168 3.242 4.402 1.00 20.00 H new ATOM 0 HG22 THR A 14 -24.723 4.090 4.582 1.00 20.00 H new ATOM 0 HG23 THR A 14 -23.660 3.871 5.993 1.00 20.00 H new ATOM 345 N ILE A 15 -27.852 1.105 7.131 1.00 20.00 N ATOM 346 CA ILE A 15 -28.691 -0.070 7.336 1.00 20.00 C ATOM 347 C ILE A 15 -29.330 -0.520 6.021 1.00 20.00 C ATOM 348 O ILE A 15 -29.553 -1.709 5.804 1.00 20.00 O ATOM 349 CB ILE A 15 -29.786 0.176 8.407 1.00 20.00 C ATOM 350 CG1 ILE A 15 -30.461 -1.142 8.804 1.00 20.00 C ATOM 351 CG2 ILE A 15 -30.831 1.163 7.909 1.00 20.00 C ATOM 352 CD1 ILE A 15 -29.533 -2.132 9.476 1.00 20.00 C ATOM 0 H ILE A 15 -28.179 1.948 7.603 1.00 20.00 H new ATOM 0 HA ILE A 15 -28.041 -0.864 7.703 1.00 20.00 H new ATOM 0 HB ILE A 15 -29.299 0.603 9.284 1.00 20.00 H new ATOM 0 HG12 ILE A 15 -31.292 -0.925 9.476 1.00 20.00 H new ATOM 0 HG13 ILE A 15 -30.884 -1.604 7.912 1.00 20.00 H new ATOM 0 HG21 ILE A 15 -31.585 1.315 8.681 1.00 20.00 H new ATOM 0 HG22 ILE A 15 -30.352 2.114 7.677 1.00 20.00 H new ATOM 0 HG23 ILE A 15 -31.306 0.768 7.011 1.00 20.00 H new ATOM 0 HD11 ILE A 15 -30.086 -3.038 9.726 1.00 20.00 H new ATOM 0 HD12 ILE A 15 -28.715 -2.381 8.800 1.00 20.00 H new ATOM 0 HD13 ILE A 15 -29.129 -1.691 10.387 1.00 20.00 H new ATOM 364 N GLU A 16 -29.582 0.437 5.131 1.00 20.00 N ATOM 365 CA GLU A 16 -30.172 0.138 3.835 1.00 20.00 C ATOM 366 C GLU A 16 -29.213 -0.709 3.009 1.00 20.00 C ATOM 367 O GLU A 16 -29.608 -1.693 2.380 1.00 20.00 O ATOM 368 CB GLU A 16 -30.502 1.429 3.084 1.00 20.00 C ATOM 369 CG GLU A 16 -31.496 2.328 3.802 1.00 20.00 C ATOM 370 CD GLU A 16 -31.891 3.527 2.967 1.00 20.00 C ATOM 371 OE1 GLU A 16 -32.802 3.393 2.124 1.00 20.00 O ATOM 372 OE2 GLU A 16 -31.283 4.605 3.140 1.00 20.00 O ATOM 0 H GLU A 16 -29.386 1.426 5.287 1.00 20.00 H new ATOM 0 HA GLU A 16 -31.096 -0.418 3.996 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -29.580 1.986 2.917 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -30.902 1.174 2.103 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -32.387 1.753 4.053 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -31.062 2.669 4.742 1.00 20.00 H new ATOM 379 N GLN A 17 -27.948 -0.323 3.030 1.00 20.00 N ATOM 380 CA GLN A 17 -26.908 -1.041 2.313 1.00 20.00 C ATOM 381 C GLN A 17 -26.676 -2.405 2.949 1.00 20.00 C ATOM 382 O GLN A 17 -26.508 -3.407 2.255 1.00 20.00 O ATOM 383 CB GLN A 17 -25.595 -0.245 2.312 1.00 20.00 C ATOM 384 CG GLN A 17 -25.628 1.044 1.494 1.00 20.00 C ATOM 385 CD GLN A 17 -26.586 2.090 2.044 1.00 20.00 C ATOM 386 OE1 GLN A 17 -26.841 2.151 3.247 1.00 20.00 O ATOM 387 NE2 GLN A 17 -27.118 2.926 1.170 1.00 20.00 N ATOM 0 H GLN A 17 -27.614 0.493 3.542 1.00 20.00 H new ATOM 0 HA GLN A 17 -27.238 -1.173 1.283 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -25.335 0.001 3.342 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -24.800 -0.883 1.926 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -24.624 1.467 1.457 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -25.912 0.807 0.469 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -26.884 2.846 0.180 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -27.763 3.651 1.485 1.00 20.00 H new ATOM 396 N GLU A 18 -26.694 -2.436 4.275 1.00 20.00 N ATOM 397 CA GLU A 18 -26.439 -3.662 5.015 1.00 20.00 C ATOM 398 C GLU A 18 -27.577 -4.660 4.850 1.00 20.00 C ATOM 399 O GLU A 18 -27.367 -5.861 4.965 1.00 20.00 O ATOM 400 CB GLU A 18 -26.197 -3.361 6.495 1.00 20.00 C ATOM 401 CG GLU A 18 -24.914 -2.586 6.744 1.00 20.00 C ATOM 402 CD GLU A 18 -23.704 -3.258 6.124 1.00 20.00 C ATOM 403 OE1 GLU A 18 -23.144 -4.180 6.755 1.00 20.00 O ATOM 404 OE2 GLU A 18 -23.311 -2.871 5.002 1.00 20.00 O ATOM 0 H GLU A 18 -26.883 -1.623 4.861 1.00 20.00 H new ATOM 0 HA GLU A 18 -25.538 -4.115 4.602 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -27.040 -2.792 6.886 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -26.161 -4.299 7.049 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -25.016 -1.580 6.337 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -24.758 -2.482 7.818 1.00 20.00 H new ATOM 411 N ASN A 19 -28.778 -4.168 4.571 1.00 20.00 N ATOM 412 CA ASN A 19 -29.908 -5.055 4.293 1.00 20.00 C ATOM 413 C ASN A 19 -29.665 -5.827 3.001 1.00 20.00 C ATOM 414 O ASN A 19 -29.979 -7.014 2.909 1.00 20.00 O ATOM 415 CB ASN A 19 -31.232 -4.286 4.200 1.00 20.00 C ATOM 416 CG ASN A 19 -31.921 -4.108 5.546 1.00 20.00 C ATOM 417 OD1 ASN A 19 -33.149 -4.123 5.629 1.00 20.00 O ATOM 418 ND2 ASN A 19 -31.147 -3.921 6.603 1.00 20.00 N ATOM 0 H ASN A 19 -28.996 -3.172 4.531 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.988 -5.753 5.127 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.045 -3.305 3.763 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.904 -4.813 3.523 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -31.565 -3.783 7.523 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -30.132 -3.915 6.497 1.00 20.00 H new ATOM 425 N SER A 20 -29.086 -5.153 2.014 1.00 20.00 N ATOM 426 CA SER A 20 -28.768 -5.789 0.743 1.00 20.00 C ATOM 427 C SER A 20 -27.481 -6.606 0.864 1.00 20.00 C ATOM 428 O SER A 20 -27.331 -7.654 0.232 1.00 20.00 O ATOM 429 CB SER A 20 -28.640 -4.730 -0.357 1.00 20.00 C ATOM 430 OG SER A 20 -29.824 -3.949 -0.442 1.00 20.00 O ATOM 0 H SER A 20 -28.828 -4.168 2.070 1.00 20.00 H new ATOM 0 HA SER A 20 -29.577 -6.468 0.475 1.00 20.00 H new ATOM 0 HB2 SER A 20 -27.787 -4.084 -0.150 1.00 20.00 H new ATOM 0 HB3 SER A 20 -28.448 -5.214 -1.314 1.00 20.00 H new ATOM 0 HG SER A 20 -29.723 -3.277 -1.148 1.00 20.00 H new ATOM 436 N TYR A 21 -26.560 -6.128 1.692 1.00 20.00 N ATOM 437 CA TYR A 21 -25.325 -6.851 1.968 1.00 20.00 C ATOM 438 C TYR A 21 -25.639 -8.141 2.718 1.00 20.00 C ATOM 439 O TYR A 21 -24.998 -9.165 2.510 1.00 20.00 O ATOM 440 CB TYR A 21 -24.375 -5.976 2.793 1.00 20.00 C ATOM 441 CG TYR A 21 -22.991 -6.564 2.983 1.00 20.00 C ATOM 442 CD1 TYR A 21 -21.998 -6.357 2.036 1.00 20.00 C ATOM 443 CD2 TYR A 21 -22.676 -7.312 4.111 1.00 20.00 C ATOM 444 CE1 TYR A 21 -20.732 -6.880 2.204 1.00 20.00 C ATOM 445 CE2 TYR A 21 -21.411 -7.840 4.284 1.00 20.00 C ATOM 446 CZ TYR A 21 -20.443 -7.621 3.329 1.00 20.00 C ATOM 447 OH TYR A 21 -19.180 -8.142 3.498 1.00 20.00 O ATOM 0 H TYR A 21 -26.646 -5.239 2.186 1.00 20.00 H new ATOM 0 HA TYR A 21 -24.839 -7.099 1.025 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.281 -5.005 2.307 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -24.820 -5.801 3.772 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -22.220 -5.777 1.153 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -23.431 -7.483 4.864 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -19.971 -6.709 1.457 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -21.182 -8.422 5.164 1.00 20.00 H new ATOM 0 HH TYR A 21 -19.141 -8.637 4.343 1.00 20.00 H new ATOM 457 N ASN A 22 -26.652 -8.072 3.571 1.00 20.00 N ATOM 458 CA ASN A 22 -27.084 -9.209 4.378 1.00 20.00 C ATOM 459 C ASN A 22 -27.493 -10.391 3.505 1.00 20.00 C ATOM 460 O ASN A 22 -27.230 -11.546 3.846 1.00 20.00 O ATOM 461 CB ASN A 22 -28.257 -8.798 5.270 1.00 20.00 C ATOM 462 CG ASN A 22 -28.740 -9.928 6.153 1.00 20.00 C ATOM 463 OD1 ASN A 22 -29.599 -10.715 5.754 1.00 20.00 O ATOM 464 ND2 ASN A 22 -28.204 -10.006 7.360 1.00 20.00 N ATOM 0 H ASN A 22 -27.199 -7.225 3.724 1.00 20.00 H new ATOM 0 HA ASN A 22 -26.242 -9.520 4.996 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -27.956 -7.957 5.895 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -29.081 -8.453 4.645 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -28.500 -10.741 8.003 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -27.495 -9.332 7.648 1.00 20.00 H new ATOM 471 N GLU A 23 -28.130 -10.096 2.378 1.00 20.00 N ATOM 472 CA GLU A 23 -28.563 -11.130 1.444 1.00 20.00 C ATOM 473 C GLU A 23 -27.354 -11.853 0.862 1.00 20.00 C ATOM 474 O GLU A 23 -27.352 -13.077 0.718 1.00 20.00 O ATOM 475 CB GLU A 23 -29.405 -10.515 0.323 1.00 20.00 C ATOM 476 CG GLU A 23 -30.714 -9.902 0.799 1.00 20.00 C ATOM 477 CD GLU A 23 -31.727 -10.944 1.234 1.00 20.00 C ATOM 478 OE1 GLU A 23 -31.484 -11.641 2.240 1.00 20.00 O ATOM 479 OE2 GLU A 23 -32.775 -11.076 0.566 1.00 20.00 O ATOM 0 H GLU A 23 -28.359 -9.145 2.087 1.00 20.00 H new ATOM 0 HA GLU A 23 -29.176 -11.852 1.982 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -28.817 -9.747 -0.180 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -29.624 -11.284 -0.417 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -30.513 -9.228 1.632 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -31.141 -9.300 -0.003 1.00 20.00 H new ATOM 486 N TRP A 24 -26.320 -11.084 0.548 1.00 20.00 N ATOM 487 CA TRP A 24 -25.071 -11.639 0.047 1.00 20.00 C ATOM 488 C TRP A 24 -24.332 -12.360 1.174 1.00 20.00 C ATOM 489 O TRP A 24 -23.696 -13.394 0.962 1.00 20.00 O ATOM 490 CB TRP A 24 -24.201 -10.518 -0.540 1.00 20.00 C ATOM 491 CG TRP A 24 -22.888 -10.989 -1.085 1.00 20.00 C ATOM 492 CD1 TRP A 24 -22.676 -11.617 -2.275 1.00 20.00 C ATOM 493 CD2 TRP A 24 -21.604 -10.862 -0.462 1.00 20.00 C ATOM 494 NE1 TRP A 24 -21.341 -11.896 -2.431 1.00 20.00 N ATOM 495 CE2 TRP A 24 -20.661 -11.443 -1.331 1.00 20.00 C ATOM 496 CE3 TRP A 24 -21.159 -10.316 0.746 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -19.302 -11.492 -1.030 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -19.810 -10.366 1.042 1.00 20.00 C ATOM 499 CH2 TRP A 24 -18.896 -10.950 0.157 1.00 20.00 C ATOM 0 H TRP A 24 -26.323 -10.068 0.632 1.00 20.00 H new ATOM 0 HA TRP A 24 -25.287 -12.360 -0.741 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -24.756 -10.020 -1.336 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -24.016 -9.773 0.234 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -23.446 -11.860 -2.992 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -20.923 -12.364 -3.235 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -21.857 -9.864 1.435 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -18.594 -11.942 -1.710 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -19.455 -9.947 1.972 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -17.848 -10.973 0.418 1.00 20.00 H new ATOM 510 N LEU A 25 -24.460 -11.818 2.377 1.00 20.00 N ATOM 511 CA LEU A 25 -23.802 -12.360 3.562 1.00 20.00 C ATOM 512 C LEU A 25 -24.424 -13.694 3.975 1.00 20.00 C ATOM 513 O LEU A 25 -23.877 -14.419 4.809 1.00 20.00 O ATOM 514 CB LEU A 25 -23.911 -11.353 4.709 1.00 20.00 C ATOM 515 CG LEU A 25 -23.046 -11.647 5.935 1.00 20.00 C ATOM 516 CD1 LEU A 25 -21.570 -11.536 5.587 1.00 20.00 C ATOM 517 CD2 LEU A 25 -23.402 -10.702 7.071 1.00 20.00 C ATOM 0 H LEU A 25 -25.024 -10.988 2.561 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.752 -12.537 3.327 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -23.646 -10.367 4.328 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -24.953 -11.303 5.026 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.243 -12.668 6.261 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -20.970 -11.749 6.472 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -21.326 -12.253 4.803 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -21.354 -10.527 5.236 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -22.778 -10.923 7.937 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -23.232 -9.673 6.755 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -24.451 -10.832 7.337 1.00 20.00 H new ATOM 529 N ARG A 26 -25.566 -14.016 3.381 1.00 20.00 N ATOM 530 CA ARG A 26 -26.257 -15.266 3.670 1.00 20.00 C ATOM 531 C ARG A 26 -25.448 -16.461 3.163 1.00 20.00 C ATOM 532 O ARG A 26 -25.661 -17.596 3.583 1.00 20.00 O ATOM 533 CB ARG A 26 -27.651 -15.263 3.035 1.00 20.00 C ATOM 534 CG ARG A 26 -28.514 -16.448 3.438 1.00 20.00 C ATOM 535 CD ARG A 26 -29.880 -16.396 2.776 1.00 20.00 C ATOM 536 NE ARG A 26 -30.720 -17.521 3.173 1.00 20.00 N ATOM 537 CZ ARG A 26 -32.050 -17.510 3.125 1.00 20.00 C ATOM 538 NH1 ARG A 26 -32.695 -16.438 2.686 1.00 20.00 N ATOM 539 NH2 ARG A 26 -32.733 -18.577 3.515 1.00 20.00 N ATOM 0 H ARG A 26 -26.035 -13.426 2.693 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.364 -15.356 4.751 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.164 -14.342 3.312 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -27.545 -15.255 1.950 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.011 -17.375 3.163 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -28.634 -16.459 4.521 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -30.376 -15.462 3.040 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -29.759 -16.398 1.693 1.00 20.00 H new ATOM 0 HE ARG A 26 -30.260 -18.368 3.508 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -32.172 -15.617 2.383 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -33.714 -16.435 2.651 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -32.239 -19.404 3.851 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -33.752 -18.571 3.479 1.00 20.00 H new ATOM 553 N ALA A 27 -24.513 -16.198 2.263 1.00 20.00 N ATOM 554 CA ALA A 27 -23.636 -17.240 1.758 1.00 20.00 C ATOM 555 C ALA A 27 -22.547 -17.563 2.774 1.00 20.00 C ATOM 556 O ALA A 27 -21.992 -18.663 2.786 1.00 20.00 O ATOM 557 CB ALA A 27 -23.018 -16.813 0.440 1.00 20.00 C ATOM 0 H ALA A 27 -24.343 -15.273 1.868 1.00 20.00 H new ATOM 0 HA ALA A 27 -24.228 -18.140 1.592 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -22.363 -17.603 0.072 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -23.807 -16.628 -0.289 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -22.439 -15.901 0.588 1.00 20.00 H new ATOM 563 N LYS A 28 -22.270 -16.603 3.645 1.00 20.00 N ATOM 564 CA LYS A 28 -21.205 -16.740 4.628 1.00 20.00 C ATOM 565 C LYS A 28 -21.635 -17.650 5.779 1.00 20.00 C ATOM 566 O LYS A 28 -20.801 -18.263 6.442 1.00 20.00 O ATOM 567 CB LYS A 28 -20.790 -15.361 5.157 1.00 20.00 C ATOM 568 CG LYS A 28 -19.728 -15.416 6.242 1.00 20.00 C ATOM 569 CD LYS A 28 -19.319 -14.027 6.695 1.00 20.00 C ATOM 570 CE LYS A 28 -18.384 -14.084 7.895 1.00 20.00 C ATOM 571 NZ LYS A 28 -19.031 -14.733 9.067 1.00 20.00 N ATOM 0 H LYS A 28 -22.771 -15.716 3.691 1.00 20.00 H new ATOM 0 HA LYS A 28 -20.346 -17.200 4.139 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -20.418 -14.761 4.327 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -21.671 -14.852 5.549 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -20.107 -15.980 7.094 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -18.854 -15.950 5.869 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -18.827 -13.505 5.874 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -20.208 -13.451 6.952 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -17.481 -14.633 7.627 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -18.074 -13.074 8.163 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -18.517 -14.477 9.934 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -20.017 -14.411 9.142 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -19.012 -15.766 8.946 1.00 20.00 H new ATOM 585 N VAL A 29 -22.936 -17.759 6.004 1.00 20.00 N ATOM 586 CA VAL A 29 -23.443 -18.622 7.061 1.00 20.00 C ATOM 587 C VAL A 29 -23.471 -20.079 6.589 1.00 20.00 C ATOM 588 O VAL A 29 -23.680 -21.004 7.376 1.00 20.00 O ATOM 589 CB VAL A 29 -24.854 -18.186 7.528 1.00 20.00 C ATOM 590 CG1 VAL A 29 -25.909 -18.506 6.480 1.00 20.00 C ATOM 591 CG2 VAL A 29 -25.206 -18.822 8.866 1.00 20.00 C ATOM 0 H VAL A 29 -23.654 -17.266 5.474 1.00 20.00 H new ATOM 0 HA VAL A 29 -22.768 -18.533 7.912 1.00 20.00 H new ATOM 0 HB VAL A 29 -24.838 -17.104 7.661 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -26.887 -18.187 6.839 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -25.674 -17.981 5.554 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -25.923 -19.580 6.294 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -26.201 -18.500 9.171 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -25.190 -19.907 8.768 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -24.479 -18.515 9.617 1.00 20.00 H new ATOM 601 N ALA A 30 -23.227 -20.273 5.297 1.00 20.00 N ATOM 602 CA ALA A 30 -23.277 -21.598 4.700 1.00 20.00 C ATOM 603 C ALA A 30 -21.928 -21.995 4.111 1.00 20.00 C ATOM 604 O ALA A 30 -21.809 -23.029 3.454 1.00 20.00 O ATOM 605 CB ALA A 30 -24.353 -21.639 3.629 1.00 20.00 C ATOM 0 H ALA A 30 -22.992 -19.526 4.644 1.00 20.00 H new ATOM 0 HA ALA A 30 -23.519 -22.316 5.484 1.00 20.00 H new ATOM 0 HB1 ALA A 30 -24.386 -22.634 3.185 1.00 20.00 H new ATOM 0 HB2 ALA A 30 -25.320 -21.408 4.076 1.00 20.00 H new ATOM 0 HB3 ALA A 30 -24.126 -20.904 2.857 1.00 20.00 H new ATOM 611 N THR A 31 -20.914 -21.176 4.355 1.00 20.00 N ATOM 612 CA THR A 31 -19.581 -21.428 3.823 1.00 20.00 C ATOM 613 C THR A 31 -18.835 -22.431 4.710 1.00 20.00 C ATOM 614 O THR A 31 -19.448 -23.082 5.563 1.00 20.00 O ATOM 615 CB THR A 31 -18.776 -20.110 3.699 1.00 20.00 C ATOM 616 OG1 THR A 31 -17.559 -20.323 2.970 1.00 20.00 O ATOM 617 CG2 THR A 31 -18.447 -19.535 5.067 1.00 20.00 C ATOM 0 H THR A 31 -20.989 -20.330 4.919 1.00 20.00 H new ATOM 0 HA THR A 31 -19.687 -21.854 2.825 1.00 20.00 H new ATOM 0 HB THR A 31 -19.401 -19.399 3.158 1.00 20.00 H new ATOM 0 HG1 THR A 31 -17.067 -19.478 2.902 1.00 20.00 H new ATOM 0 HG21 THR A 31 -17.882 -18.611 4.947 1.00 20.00 H new ATOM 0 HG22 THR A 31 -19.371 -19.328 5.606 1.00 20.00 H new ATOM 0 HG23 THR A 31 -17.852 -20.254 5.630 1.00 20.00 H new ATOM 625 N SER A 32 -17.528 -22.561 4.505 1.00 20.00 N ATOM 626 CA SER A 32 -16.703 -23.440 5.322 1.00 20.00 C ATOM 627 C SER A 32 -16.835 -23.061 6.797 1.00 20.00 C ATOM 628 O SER A 32 -16.884 -21.875 7.141 1.00 20.00 O ATOM 629 CB SER A 32 -15.242 -23.357 4.862 1.00 20.00 C ATOM 630 OG SER A 32 -14.841 -22.009 4.672 1.00 20.00 O ATOM 0 H SER A 32 -17.016 -22.065 3.775 1.00 20.00 H new ATOM 0 HA SER A 32 -17.043 -24.469 5.204 1.00 20.00 H new ATOM 0 HB2 SER A 32 -14.597 -23.830 5.602 1.00 20.00 H new ATOM 0 HB3 SER A 32 -15.119 -23.911 3.931 1.00 20.00 H new ATOM 0 HG SER A 32 -13.906 -21.984 4.381 1.00 20.00 H new ATOM 636 N LEU A 33 -16.923 -24.068 7.657 1.00 20.00 N ATOM 637 CA LEU A 33 -17.183 -23.849 9.072 1.00 20.00 C ATOM 638 C LEU A 33 -16.047 -23.066 9.718 1.00 20.00 C ATOM 639 O LEU A 33 -14.894 -23.494 9.709 1.00 20.00 O ATOM 640 CB LEU A 33 -17.394 -25.196 9.788 1.00 20.00 C ATOM 641 CG LEU A 33 -17.931 -25.141 11.235 1.00 20.00 C ATOM 642 CD1 LEU A 33 -16.841 -24.750 12.221 1.00 20.00 C ATOM 643 CD2 LEU A 33 -19.106 -24.178 11.342 1.00 20.00 C ATOM 0 H LEU A 33 -16.817 -25.048 7.396 1.00 20.00 H new ATOM 0 HA LEU A 33 -18.094 -23.258 9.168 1.00 20.00 H new ATOM 0 HB2 LEU A 33 -18.085 -25.792 9.192 1.00 20.00 H new ATOM 0 HB3 LEU A 33 -16.442 -25.727 9.799 1.00 20.00 H new ATOM 0 HG LEU A 33 -18.275 -26.143 11.491 1.00 20.00 H new ATOM 0 HD11 LEU A 33 -17.255 -24.721 13.229 1.00 20.00 H new ATOM 0 HD12 LEU A 33 -16.034 -25.482 12.181 1.00 20.00 H new ATOM 0 HD13 LEU A 33 -16.451 -23.766 11.961 1.00 20.00 H new ATOM 0 HD21 LEU A 33 -19.467 -24.157 12.370 1.00 20.00 H new ATOM 0 HD22 LEU A 33 -18.785 -23.178 11.049 1.00 20.00 H new ATOM 0 HD23 LEU A 33 -19.909 -24.509 10.683 1.00 20.00 H new ATOM 655 N ALA A 34 -16.390 -21.912 10.262 1.00 20.00 N ATOM 656 CA ALA A 34 -15.451 -21.094 11.003 1.00 20.00 C ATOM 657 C ALA A 34 -16.130 -20.557 12.251 1.00 20.00 C ATOM 658 O ALA A 34 -17.312 -20.207 12.209 1.00 20.00 O ATOM 659 CB ALA A 34 -14.941 -19.953 10.138 1.00 20.00 C ATOM 0 H ALA A 34 -17.328 -21.517 10.202 1.00 20.00 H new ATOM 0 HA ALA A 34 -14.595 -21.702 11.295 1.00 20.00 H new ATOM 0 HB1 ALA A 34 -14.237 -19.349 10.710 1.00 20.00 H new ATOM 0 HB2 ALA A 34 -14.440 -20.359 9.259 1.00 20.00 H new ATOM 0 HB3 ALA A 34 -15.780 -19.332 9.823 1.00 20.00 H new ATOM 665 N ASP A 35 -15.400 -20.501 13.354 1.00 20.00 N ATOM 666 CA ASP A 35 -15.965 -20.024 14.610 1.00 20.00 C ATOM 667 C ASP A 35 -15.334 -18.705 15.031 1.00 20.00 C ATOM 668 O ASP A 35 -14.289 -18.687 15.686 1.00 20.00 O ATOM 669 CB ASP A 35 -15.790 -21.057 15.731 1.00 20.00 C ATOM 670 CG ASP A 35 -16.722 -22.247 15.598 1.00 20.00 C ATOM 671 OD1 ASP A 35 -17.957 -22.048 15.598 1.00 20.00 O ATOM 672 OD2 ASP A 35 -16.226 -23.392 15.520 1.00 20.00 O ATOM 0 H ASP A 35 -14.420 -20.778 13.407 1.00 20.00 H new ATOM 0 HA ASP A 35 -17.031 -19.869 14.441 1.00 20.00 H new ATOM 0 HB2 ASP A 35 -14.759 -21.410 15.733 1.00 20.00 H new ATOM 0 HB3 ASP A 35 -15.964 -20.573 16.692 1.00 20.00 H new ATOM 677 N PRO A 36 -15.948 -17.581 14.645 1.00 20.00 N ATOM 678 CA PRO A 36 -15.514 -16.255 15.079 1.00 20.00 C ATOM 679 C PRO A 36 -15.874 -16.028 16.540 1.00 20.00 C ATOM 680 O PRO A 36 -17.042 -16.160 16.903 1.00 20.00 O ATOM 681 CB PRO A 36 -16.299 -15.288 14.175 1.00 20.00 C ATOM 682 CG PRO A 36 -16.968 -16.141 13.147 1.00 20.00 C ATOM 683 CD PRO A 36 -17.112 -17.502 13.759 1.00 20.00 C ATOM 0 HA PRO A 36 -14.435 -16.121 15.001 1.00 20.00 H new ATOM 0 HB2 PRO A 36 -17.032 -14.723 14.751 1.00 20.00 H new ATOM 0 HB3 PRO A 36 -15.633 -14.563 13.708 1.00 20.00 H new ATOM 0 HG2 PRO A 36 -17.941 -15.732 12.876 1.00 20.00 H new ATOM 0 HG3 PRO A 36 -16.375 -16.186 12.233 1.00 20.00 H new ATOM 0 HD2 PRO A 36 -18.047 -17.602 14.309 1.00 20.00 H new ATOM 0 HD3 PRO A 36 -17.101 -18.289 13.005 1.00 20.00 H new ATOM 691 N ARG A 37 -14.858 -15.695 17.349 1.00 20.00 N ATOM 692 CA ARG A 37 -14.971 -15.530 18.812 1.00 20.00 C ATOM 693 C ARG A 37 -15.558 -16.783 19.482 1.00 20.00 C ATOM 694 O ARG A 37 -16.703 -17.168 19.246 1.00 20.00 O ATOM 695 CB ARG A 37 -15.745 -14.244 19.204 1.00 20.00 C ATOM 696 CG ARG A 37 -17.250 -14.303 18.994 1.00 20.00 C ATOM 697 CD ARG A 37 -17.913 -12.955 19.203 1.00 20.00 C ATOM 698 NE ARG A 37 -19.349 -13.030 18.943 1.00 20.00 N ATOM 699 CZ ARG A 37 -20.141 -11.973 18.767 1.00 20.00 C ATOM 700 NH1 ARG A 37 -19.646 -10.742 18.819 1.00 20.00 N ATOM 701 NH2 ARG A 37 -21.433 -12.152 18.532 1.00 20.00 N ATOM 0 H ARG A 37 -13.914 -15.529 17.001 1.00 20.00 H new ATOM 0 HA ARG A 37 -13.957 -15.407 19.193 1.00 20.00 H new ATOM 0 HB2 ARG A 37 -15.549 -14.028 20.254 1.00 20.00 H new ATOM 0 HB3 ARG A 37 -15.346 -13.410 18.627 1.00 20.00 H new ATOM 0 HG2 ARG A 37 -17.460 -14.656 17.985 1.00 20.00 H new ATOM 0 HG3 ARG A 37 -17.683 -15.029 19.682 1.00 20.00 H new ATOM 0 HD2 ARG A 37 -17.742 -12.617 20.225 1.00 20.00 H new ATOM 0 HD3 ARG A 37 -17.459 -12.216 18.543 1.00 20.00 H new ATOM 0 HE ARG A 37 -19.775 -13.956 18.893 1.00 20.00 H new ATOM 0 HH11 ARG A 37 -18.651 -10.599 18.995 1.00 20.00 H new ATOM 0 HH12 ARG A 37 -20.260 -9.939 18.683 1.00 20.00 H new ATOM 0 HH21 ARG A 37 -21.817 -13.096 18.487 1.00 20.00 H new ATOM 0 HH22 ARG A 37 -22.043 -11.346 18.397 1.00 20.00 H new ATOM 715 N PRO A 38 -14.766 -17.446 20.340 1.00 20.00 N ATOM 716 CA PRO A 38 -15.158 -18.723 20.957 1.00 20.00 C ATOM 717 C PRO A 38 -16.284 -18.589 21.987 1.00 20.00 C ATOM 718 O PRO A 38 -16.685 -19.575 22.609 1.00 20.00 O ATOM 719 CB PRO A 38 -13.871 -19.202 21.632 1.00 20.00 C ATOM 720 CG PRO A 38 -13.086 -17.961 21.887 1.00 20.00 C ATOM 721 CD PRO A 38 -13.423 -17.014 20.768 1.00 20.00 C ATOM 0 HA PRO A 38 -15.557 -19.412 20.213 1.00 20.00 H new ATOM 0 HB2 PRO A 38 -14.085 -19.731 22.560 1.00 20.00 H new ATOM 0 HB3 PRO A 38 -13.322 -19.892 20.991 1.00 20.00 H new ATOM 0 HG2 PRO A 38 -13.344 -17.529 22.854 1.00 20.00 H new ATOM 0 HG3 PRO A 38 -12.017 -18.174 21.908 1.00 20.00 H new ATOM 0 HD2 PRO A 38 -13.424 -15.978 21.106 1.00 20.00 H new ATOM 0 HD3 PRO A 38 -12.701 -17.083 19.954 1.00 20.00 H new ATOM 729 N ALA A 39 -16.776 -17.361 22.154 1.00 20.00 N ATOM 730 CA ALA A 39 -17.893 -17.061 23.050 1.00 20.00 C ATOM 731 C ALA A 39 -17.550 -17.405 24.493 1.00 20.00 C ATOM 732 O ALA A 39 -18.383 -17.922 25.241 1.00 20.00 O ATOM 733 CB ALA A 39 -19.156 -17.786 22.598 1.00 20.00 C ATOM 0 H ALA A 39 -16.409 -16.542 21.669 1.00 20.00 H new ATOM 0 HA ALA A 39 -18.083 -15.989 23.004 1.00 20.00 H new ATOM 0 HB1 ALA A 39 -19.974 -17.549 23.278 1.00 20.00 H new ATOM 0 HB2 ALA A 39 -19.418 -17.466 21.589 1.00 20.00 H new ATOM 0 HB3 ALA A 39 -18.980 -18.862 22.603 1.00 20.00 H new ATOM 739 N ILE A 40 -16.323 -17.106 24.878 1.00 20.00 N ATOM 740 CA ILE A 40 -15.845 -17.410 26.217 1.00 20.00 C ATOM 741 C ILE A 40 -16.195 -16.291 27.193 1.00 20.00 C ATOM 742 O ILE A 40 -15.985 -15.112 26.898 1.00 20.00 O ATOM 743 CB ILE A 40 -14.322 -17.653 26.244 1.00 20.00 C ATOM 744 CG1 ILE A 40 -13.581 -16.516 25.533 1.00 20.00 C ATOM 745 CG2 ILE A 40 -13.996 -18.997 25.614 1.00 20.00 C ATOM 746 CD1 ILE A 40 -12.075 -16.634 25.599 1.00 20.00 C ATOM 0 H ILE A 40 -15.634 -16.650 24.279 1.00 20.00 H new ATOM 0 HA ILE A 40 -16.347 -18.327 26.525 1.00 20.00 H new ATOM 0 HB ILE A 40 -13.987 -17.671 27.281 1.00 20.00 H new ATOM 0 HG12 ILE A 40 -13.889 -16.492 24.488 1.00 20.00 H new ATOM 0 HG13 ILE A 40 -13.881 -15.566 25.976 1.00 20.00 H new ATOM 0 HG21 ILE A 40 -12.918 -19.158 25.638 1.00 20.00 H new ATOM 0 HG22 ILE A 40 -14.494 -19.790 26.171 1.00 20.00 H new ATOM 0 HG23 ILE A 40 -14.341 -19.008 24.580 1.00 20.00 H new ATOM 0 HD11 ILE A 40 -11.621 -15.794 25.074 1.00 20.00 H new ATOM 0 HD12 ILE A 40 -11.755 -16.627 26.641 1.00 20.00 H new ATOM 0 HD13 ILE A 40 -11.762 -17.567 25.130 1.00 20.00 H new ATOM 758 N PRO A 41 -16.755 -16.652 28.358 1.00 20.00 N ATOM 759 CA PRO A 41 -17.085 -15.687 29.411 1.00 20.00 C ATOM 760 C PRO A 41 -15.843 -14.948 29.900 1.00 20.00 C ATOM 761 O PRO A 41 -14.913 -15.562 30.420 1.00 20.00 O ATOM 762 CB PRO A 41 -17.660 -16.558 30.533 1.00 20.00 C ATOM 763 CG PRO A 41 -18.076 -17.825 29.871 1.00 20.00 C ATOM 764 CD PRO A 41 -17.115 -18.028 28.737 1.00 20.00 C ATOM 0 HA PRO A 41 -17.774 -14.917 29.064 1.00 20.00 H new ATOM 0 HB2 PRO A 41 -16.916 -16.744 31.307 1.00 20.00 H new ATOM 0 HB3 PRO A 41 -18.507 -16.070 31.016 1.00 20.00 H new ATOM 0 HG2 PRO A 41 -18.039 -18.661 30.569 1.00 20.00 H new ATOM 0 HG3 PRO A 41 -19.101 -17.758 29.507 1.00 20.00 H new ATOM 0 HD2 PRO A 41 -16.242 -18.603 29.046 1.00 20.00 H new ATOM 0 HD3 PRO A 41 -17.576 -18.567 27.909 1.00 20.00 H new ATOM 772 N HIS A 42 -15.832 -13.634 29.744 1.00 20.00 N ATOM 773 CA HIS A 42 -14.636 -12.854 30.033 1.00 20.00 C ATOM 774 C HIS A 42 -14.549 -12.483 31.509 1.00 20.00 C ATOM 775 O HIS A 42 -13.462 -12.508 32.089 1.00 20.00 O ATOM 776 CB HIS A 42 -14.584 -11.593 29.162 1.00 20.00 C ATOM 777 CG HIS A 42 -14.603 -11.884 27.692 1.00 20.00 C ATOM 778 ND1 HIS A 42 -15.599 -11.442 26.849 1.00 20.00 N ATOM 779 CD2 HIS A 42 -13.739 -12.577 26.915 1.00 20.00 C ATOM 780 CE1 HIS A 42 -15.346 -11.850 25.621 1.00 20.00 C ATOM 781 NE2 HIS A 42 -14.224 -12.538 25.635 1.00 20.00 N ATOM 0 H HIS A 42 -16.630 -13.087 29.421 1.00 20.00 H new ATOM 0 HA HIS A 42 -13.775 -13.479 29.795 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -15.432 -10.954 29.409 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -13.681 -11.031 29.402 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -12.835 -13.069 27.243 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -15.956 -11.653 24.752 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -13.786 -12.972 24.823 1.00 20.00 H new ATOM 790 N ASP A 43 -15.688 -12.163 32.118 1.00 20.00 N ATOM 791 CA ASP A 43 -15.713 -11.763 33.527 1.00 20.00 C ATOM 792 C ASP A 43 -15.231 -12.898 34.421 1.00 20.00 C ATOM 793 O ASP A 43 -14.383 -12.696 35.286 1.00 20.00 O ATOM 794 CB ASP A 43 -17.117 -11.319 33.955 1.00 20.00 C ATOM 795 CG ASP A 43 -17.194 -10.964 35.431 1.00 20.00 C ATOM 796 OD1 ASP A 43 -16.955 -9.788 35.779 1.00 20.00 O ATOM 797 OD2 ASP A 43 -17.501 -11.854 36.252 1.00 20.00 O ATOM 0 H ASP A 43 -16.601 -12.172 31.664 1.00 20.00 H new ATOM 0 HA ASP A 43 -15.036 -10.916 33.638 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -17.418 -10.456 33.361 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -17.828 -12.117 33.740 1.00 20.00 H new ATOM 802 N GLU A 44 -15.757 -14.095 34.181 1.00 20.00 N ATOM 803 CA GLU A 44 -15.405 -15.271 34.972 1.00 20.00 C ATOM 804 C GLU A 44 -13.894 -15.506 34.956 1.00 20.00 C ATOM 805 O GLU A 44 -13.278 -15.719 35.999 1.00 20.00 O ATOM 806 CB GLU A 44 -16.147 -16.498 34.430 1.00 20.00 C ATOM 807 CG GLU A 44 -15.872 -17.785 35.192 1.00 20.00 C ATOM 808 CD GLU A 44 -16.242 -17.699 36.660 1.00 20.00 C ATOM 809 OE1 GLU A 44 -17.428 -17.454 36.969 1.00 20.00 O ATOM 810 OE2 GLU A 44 -15.348 -17.878 37.512 1.00 20.00 O ATOM 0 H GLU A 44 -16.433 -14.277 33.440 1.00 20.00 H new ATOM 0 HA GLU A 44 -15.705 -15.101 36.006 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -17.218 -16.299 34.452 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -15.871 -16.642 33.385 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -16.430 -18.600 34.730 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -14.814 -18.033 35.104 1.00 20.00 H new ATOM 817 N VAL A 45 -13.304 -15.432 33.769 1.00 20.00 N ATOM 818 CA VAL A 45 -11.872 -15.650 33.608 1.00 20.00 C ATOM 819 C VAL A 45 -11.070 -14.525 34.259 1.00 20.00 C ATOM 820 O VAL A 45 -10.081 -14.770 34.953 1.00 20.00 O ATOM 821 CB VAL A 45 -11.493 -15.753 32.115 1.00 20.00 C ATOM 822 CG1 VAL A 45 -9.997 -15.952 31.944 1.00 20.00 C ATOM 823 CG2 VAL A 45 -12.259 -16.882 31.448 1.00 20.00 C ATOM 0 H VAL A 45 -13.797 -15.222 32.901 1.00 20.00 H new ATOM 0 HA VAL A 45 -11.629 -16.591 34.102 1.00 20.00 H new ATOM 0 HB VAL A 45 -11.766 -14.815 31.632 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -9.758 -16.021 30.883 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -9.465 -15.107 32.381 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -9.693 -16.871 32.445 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -11.979 -16.940 30.396 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -12.019 -17.825 31.940 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -13.329 -16.693 31.529 1.00 20.00 H new ATOM 833 N GLU A 46 -11.528 -13.298 34.052 1.00 20.00 N ATOM 834 CA GLU A 46 -10.833 -12.111 34.545 1.00 20.00 C ATOM 835 C GLU A 46 -10.696 -12.134 36.068 1.00 20.00 C ATOM 836 O GLU A 46 -9.656 -11.768 36.613 1.00 20.00 O ATOM 837 CB GLU A 46 -11.580 -10.847 34.105 1.00 20.00 C ATOM 838 CG GLU A 46 -10.873 -9.550 34.462 1.00 20.00 C ATOM 839 CD GLU A 46 -9.504 -9.434 33.826 1.00 20.00 C ATOM 840 OE1 GLU A 46 -9.430 -9.302 32.588 1.00 20.00 O ATOM 841 OE2 GLU A 46 -8.497 -9.452 34.561 1.00 20.00 O ATOM 0 H GLU A 46 -12.387 -13.095 33.541 1.00 20.00 H new ATOM 0 HA GLU A 46 -9.830 -12.108 34.118 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -11.727 -10.882 33.026 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -12.570 -10.846 34.562 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -11.488 -8.707 34.146 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -10.772 -9.483 35.545 1.00 20.00 H new ATOM 848 N ARG A 47 -11.741 -12.579 36.754 1.00 20.00 N ATOM 849 CA ARG A 47 -11.732 -12.597 38.212 1.00 20.00 C ATOM 850 C ARG A 47 -10.821 -13.707 38.730 1.00 20.00 C ATOM 851 O ARG A 47 -10.234 -13.590 39.806 1.00 20.00 O ATOM 852 CB ARG A 47 -13.147 -12.777 38.766 1.00 20.00 C ATOM 853 CG ARG A 47 -14.178 -11.852 38.137 1.00 20.00 C ATOM 854 CD ARG A 47 -13.738 -10.395 38.149 1.00 20.00 C ATOM 855 NE ARG A 47 -14.624 -9.561 37.340 1.00 20.00 N ATOM 856 CZ ARG A 47 -14.351 -8.314 36.967 1.00 20.00 C ATOM 857 NH1 ARG A 47 -13.213 -7.735 37.326 1.00 20.00 N ATOM 858 NH2 ARG A 47 -15.221 -7.654 36.218 1.00 20.00 N ATOM 0 H ARG A 47 -12.599 -12.930 36.329 1.00 20.00 H new ATOM 0 HA ARG A 47 -11.347 -11.637 38.556 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -13.458 -13.810 38.612 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -13.129 -12.607 39.842 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -14.362 -12.164 37.109 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -15.122 -11.947 38.673 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -13.726 -10.026 39.175 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -12.719 -10.319 37.770 1.00 20.00 H new ATOM 0 HE ARG A 47 -15.513 -9.963 37.041 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -12.537 -8.247 37.894 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -13.013 -6.778 37.034 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -16.091 -8.102 35.932 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -15.021 -6.697 35.927 1.00 20.00 H new ATOM 872 N ARG A 48 -10.702 -14.782 37.960 1.00 20.00 N ATOM 873 CA ARG A 48 -9.812 -15.881 38.317 1.00 20.00 C ATOM 874 C ARG A 48 -8.360 -15.464 38.118 1.00 20.00 C ATOM 875 O ARG A 48 -7.500 -15.735 38.958 1.00 20.00 O ATOM 876 CB ARG A 48 -10.120 -17.124 37.475 1.00 20.00 C ATOM 877 CG ARG A 48 -11.532 -17.658 37.663 1.00 20.00 C ATOM 878 CD ARG A 48 -11.805 -18.845 36.755 1.00 20.00 C ATOM 879 NE ARG A 48 -13.172 -19.340 36.901 1.00 20.00 N ATOM 880 CZ ARG A 48 -13.581 -20.540 36.494 1.00 20.00 C ATOM 881 NH1 ARG A 48 -12.733 -21.373 35.898 1.00 20.00 N ATOM 882 NH2 ARG A 48 -14.844 -20.905 36.681 1.00 20.00 N ATOM 0 H ARG A 48 -11.210 -14.916 37.086 1.00 20.00 H new ATOM 0 HA ARG A 48 -9.973 -16.126 39.367 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -9.969 -16.885 36.422 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -9.408 -17.909 37.729 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -11.675 -17.954 38.702 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -12.252 -16.866 37.455 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -11.632 -18.556 35.718 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -11.102 -19.646 36.984 1.00 20.00 H new ATOM 0 HE ARG A 48 -13.857 -18.727 37.343 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -11.763 -21.094 35.750 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -13.052 -22.291 35.589 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -15.497 -20.267 37.135 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -15.161 -21.823 36.370 1.00 20.00 H new ATOM 896 N MET A 49 -8.099 -14.783 37.010 1.00 20.00 N ATOM 897 CA MET A 49 -6.758 -14.305 36.705 1.00 20.00 C ATOM 898 C MET A 49 -6.337 -13.218 37.683 1.00 20.00 C ATOM 899 O MET A 49 -5.151 -13.039 37.952 1.00 20.00 O ATOM 900 CB MET A 49 -6.684 -13.772 35.276 1.00 20.00 C ATOM 901 CG MET A 49 -6.940 -14.827 34.212 1.00 20.00 C ATOM 902 SD MET A 49 -5.856 -16.263 34.372 1.00 20.00 S ATOM 903 CE MET A 49 -4.243 -15.493 34.239 1.00 20.00 C ATOM 0 H MET A 49 -8.800 -14.549 36.307 1.00 20.00 H new ATOM 0 HA MET A 49 -6.074 -15.148 36.801 1.00 20.00 H new ATOM 0 HB2 MET A 49 -7.412 -12.969 35.160 1.00 20.00 H new ATOM 0 HB3 MET A 49 -5.699 -13.336 35.112 1.00 20.00 H new ATOM 0 HG2 MET A 49 -7.978 -15.153 34.273 1.00 20.00 H new ATOM 0 HG3 MET A 49 -6.803 -14.383 33.226 1.00 20.00 H new ATOM 0 HE1 MET A 49 -3.487 -16.260 34.070 1.00 20.00 H new ATOM 0 HE2 MET A 49 -4.242 -14.792 33.404 1.00 20.00 H new ATOM 0 HE3 MET A 49 -4.018 -14.959 35.162 1.00 20.00 H new ATOM 913 N ALA A 50 -7.318 -12.499 38.217 1.00 20.00 N ATOM 914 CA ALA A 50 -7.062 -11.445 39.188 1.00 20.00 C ATOM 915 C ALA A 50 -6.302 -11.977 40.397 1.00 20.00 C ATOM 916 O ALA A 50 -5.362 -11.344 40.879 1.00 20.00 O ATOM 917 CB ALA A 50 -8.368 -10.809 39.629 1.00 20.00 C ATOM 0 H ALA A 50 -8.304 -12.629 37.991 1.00 20.00 H new ATOM 0 HA ALA A 50 -6.441 -10.689 38.707 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -8.163 -10.022 40.355 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -8.875 -10.381 38.764 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -9.006 -11.566 40.085 1.00 20.00 H new ATOM 923 N GLU A 51 -6.697 -13.156 40.862 1.00 20.00 N ATOM 924 CA GLU A 51 -6.069 -13.767 42.026 1.00 20.00 C ATOM 925 C GLU A 51 -4.654 -14.222 41.695 1.00 20.00 C ATOM 926 O GLU A 51 -3.781 -14.260 42.562 1.00 20.00 O ATOM 927 CB GLU A 51 -6.891 -14.952 42.530 1.00 20.00 C ATOM 928 CG GLU A 51 -8.304 -14.582 42.946 1.00 20.00 C ATOM 929 CD GLU A 51 -8.998 -15.699 43.691 1.00 20.00 C ATOM 930 OE1 GLU A 51 -9.633 -16.550 43.038 1.00 20.00 O ATOM 931 OE2 GLU A 51 -8.910 -15.731 44.937 1.00 20.00 O ATOM 0 H GLU A 51 -7.450 -13.708 40.450 1.00 20.00 H new ATOM 0 HA GLU A 51 -6.023 -13.015 42.814 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -6.939 -15.709 41.747 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -6.378 -15.404 43.379 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -8.273 -13.693 43.576 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -8.885 -14.324 42.060 1.00 20.00 H new ATOM 938 N ARG A 52 -4.436 -14.551 40.429 1.00 20.00 N ATOM 939 CA ARG A 52 -3.122 -14.970 39.966 1.00 20.00 C ATOM 940 C ARG A 52 -2.212 -13.757 39.836 1.00 20.00 C ATOM 941 O ARG A 52 -1.059 -13.777 40.275 1.00 20.00 O ATOM 942 CB ARG A 52 -3.222 -15.684 38.613 1.00 20.00 C ATOM 943 CG ARG A 52 -4.141 -16.897 38.607 1.00 20.00 C ATOM 944 CD ARG A 52 -3.695 -17.954 39.601 1.00 20.00 C ATOM 945 NE ARG A 52 -4.527 -19.148 39.520 1.00 20.00 N ATOM 946 CZ ARG A 52 -4.675 -20.030 40.505 1.00 20.00 C ATOM 947 NH1 ARG A 52 -4.015 -19.878 41.650 1.00 20.00 N ATOM 948 NH2 ARG A 52 -5.477 -21.072 40.336 1.00 20.00 N ATOM 0 H ARG A 52 -5.154 -14.535 39.704 1.00 20.00 H new ATOM 0 HA ARG A 52 -2.706 -15.665 40.695 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -3.575 -14.973 37.866 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -2.224 -15.998 38.307 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -5.157 -16.583 38.844 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -4.166 -17.328 37.606 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -2.655 -18.220 39.409 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -3.739 -17.547 40.611 1.00 20.00 H new ATOM 0 HE ARG A 52 -5.030 -19.319 38.649 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -3.391 -19.081 41.777 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -4.133 -20.558 42.401 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -5.976 -21.194 39.455 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -5.595 -21.752 41.087 1.00 20.00 H new ATOM 962 N PHE A 53 -2.755 -12.695 39.251 1.00 20.00 N ATOM 963 CA PHE A 53 -2.007 -11.471 39.023 1.00 20.00 C ATOM 964 C PHE A 53 -1.676 -10.783 40.342 1.00 20.00 C ATOM 965 O PHE A 53 -0.721 -10.013 40.427 1.00 20.00 O ATOM 966 CB PHE A 53 -2.799 -10.524 38.119 1.00 20.00 C ATOM 967 CG PHE A 53 -2.044 -9.280 37.742 1.00 20.00 C ATOM 968 CD1 PHE A 53 -0.937 -9.351 36.909 1.00 20.00 C ATOM 969 CD2 PHE A 53 -2.439 -8.040 38.218 1.00 20.00 C ATOM 970 CE1 PHE A 53 -0.240 -8.211 36.562 1.00 20.00 C ATOM 971 CE2 PHE A 53 -1.746 -6.896 37.874 1.00 20.00 C ATOM 972 CZ PHE A 53 -0.644 -6.983 37.045 1.00 20.00 C ATOM 0 H PHE A 53 -3.721 -12.661 38.924 1.00 20.00 H new ATOM 0 HA PHE A 53 -1.072 -11.732 38.528 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -3.084 -11.055 37.211 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -3.722 -10.240 38.625 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -0.617 -10.309 36.528 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -3.300 -7.967 38.866 1.00 20.00 H new ATOM 0 HE1 PHE A 53 0.621 -8.280 35.913 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -2.065 -5.936 38.252 1.00 20.00 H new ATOM 0 HZ PHE A 53 -0.099 -6.090 36.775 1.00 20.00 H new ATOM 982 N ALA A 54 -2.465 -11.076 41.367 1.00 20.00 N ATOM 983 CA ALA A 54 -2.249 -10.514 42.694 1.00 20.00 C ATOM 984 C ALA A 54 -0.829 -10.788 43.182 1.00 20.00 C ATOM 985 O ALA A 54 -0.169 -9.906 43.730 1.00 20.00 O ATOM 986 CB ALA A 54 -3.268 -11.079 43.670 1.00 20.00 C ATOM 0 H ALA A 54 -3.266 -11.704 41.304 1.00 20.00 H new ATOM 0 HA ALA A 54 -2.378 -9.433 42.635 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -3.099 -10.654 44.659 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -4.273 -10.826 43.333 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -3.163 -12.163 43.719 1.00 20.00 H new ATOM 992 N LYS A 55 -0.355 -12.004 42.955 1.00 20.00 N ATOM 993 CA LYS A 55 0.993 -12.380 43.355 1.00 20.00 C ATOM 994 C LYS A 55 2.002 -11.965 42.292 1.00 20.00 C ATOM 995 O LYS A 55 3.195 -11.831 42.565 1.00 20.00 O ATOM 996 CB LYS A 55 1.075 -13.886 43.605 1.00 20.00 C ATOM 997 CG LYS A 55 0.148 -14.372 44.708 1.00 20.00 C ATOM 998 CD LYS A 55 0.256 -15.871 44.900 1.00 20.00 C ATOM 999 CE LYS A 55 -0.552 -16.335 46.100 1.00 20.00 C ATOM 1000 NZ LYS A 55 -0.468 -17.805 46.288 1.00 20.00 N ATOM 0 H LYS A 55 -0.883 -12.747 42.496 1.00 20.00 H new ATOM 0 HA LYS A 55 1.234 -11.860 44.282 1.00 20.00 H new ATOM 0 HB2 LYS A 55 0.834 -14.413 42.682 1.00 20.00 H new ATOM 0 HB3 LYS A 55 2.101 -14.148 43.863 1.00 20.00 H new ATOM 0 HG2 LYS A 55 0.394 -13.865 45.641 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -0.881 -14.108 44.463 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -0.096 -16.381 44.003 1.00 20.00 H new ATOM 0 HD3 LYS A 55 1.302 -16.148 45.034 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -0.190 -15.833 46.997 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -1.595 -16.044 45.970 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -1.032 -18.082 47.116 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -0.836 -18.285 45.442 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 0.524 -18.080 46.437 1.00 20.00 H new ATOM 1014 N MET A 56 1.510 -11.737 41.082 1.00 20.00 N ATOM 1015 CA MET A 56 2.359 -11.304 39.976 1.00 20.00 C ATOM 1016 C MET A 56 2.709 -9.830 40.123 1.00 20.00 C ATOM 1017 O MET A 56 3.565 -9.312 39.409 1.00 20.00 O ATOM 1018 CB MET A 56 1.668 -11.537 38.633 1.00 20.00 C ATOM 1019 CG MET A 56 1.404 -13.001 38.319 1.00 20.00 C ATOM 1020 SD MET A 56 0.455 -13.223 36.804 1.00 20.00 S ATOM 1021 CE MET A 56 1.535 -12.442 35.607 1.00 20.00 C ATOM 0 H MET A 56 0.525 -11.844 40.839 1.00 20.00 H new ATOM 0 HA MET A 56 3.274 -11.895 40.004 1.00 20.00 H new ATOM 0 HB2 MET A 56 0.721 -10.998 38.625 1.00 20.00 H new ATOM 0 HB3 MET A 56 2.284 -11.111 37.841 1.00 20.00 H new ATOM 0 HG2 MET A 56 2.355 -13.527 38.228 1.00 20.00 H new ATOM 0 HG3 MET A 56 0.866 -13.456 39.151 1.00 20.00 H new ATOM 0 HE1 MET A 56 1.261 -12.767 34.603 1.00 20.00 H new ATOM 0 HE2 MET A 56 1.434 -11.359 35.678 1.00 20.00 H new ATOM 0 HE3 MET A 56 2.568 -12.725 35.810 1.00 20.00 H new ATOM 1031 N ARG A 57 2.038 -9.159 41.055 1.00 20.00 N ATOM 1032 CA ARG A 57 2.325 -7.761 41.353 1.00 20.00 C ATOM 1033 C ARG A 57 3.651 -7.631 42.092 1.00 20.00 C ATOM 1034 O ARG A 57 4.126 -6.521 42.342 1.00 20.00 O ATOM 1035 CB ARG A 57 1.200 -7.139 42.182 1.00 20.00 C ATOM 1036 CG ARG A 57 -0.108 -6.988 41.423 1.00 20.00 C ATOM 1037 CD ARG A 57 -1.190 -6.377 42.297 1.00 20.00 C ATOM 1038 NE ARG A 57 -0.822 -5.044 42.775 1.00 20.00 N ATOM 1039 CZ ARG A 57 -1.367 -4.455 43.839 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -2.304 -5.078 44.544 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -0.971 -3.243 44.202 1.00 20.00 N ATOM 0 H ARG A 57 1.290 -9.563 41.618 1.00 20.00 H new ATOM 0 HA ARG A 57 2.396 -7.224 40.407 1.00 20.00 H new ATOM 0 HB2 ARG A 57 1.028 -7.755 43.065 1.00 20.00 H new ATOM 0 HB3 ARG A 57 1.520 -6.159 42.535 1.00 20.00 H new ATOM 0 HG2 ARG A 57 0.049 -6.361 40.545 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -0.436 -7.963 41.064 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -2.120 -6.315 41.732 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -1.378 -7.029 43.150 1.00 20.00 H new ATOM 0 HE ARG A 57 -0.103 -4.534 42.262 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -2.610 -6.012 44.272 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -2.718 -4.622 45.357 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -0.249 -2.761 43.667 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -1.388 -2.793 45.016 1.00 20.00 H new ATOM 1055 N LYS A 58 4.230 -8.783 42.443 1.00 20.00 N ATOM 1056 CA LYS A 58 5.555 -8.860 43.056 1.00 20.00 C ATOM 1057 C LYS A 58 5.535 -8.389 44.508 1.00 20.00 C ATOM 1058 O LYS A 58 4.535 -7.854 44.996 1.00 20.00 O ATOM 1059 CB LYS A 58 6.579 -8.061 42.240 1.00 20.00 C ATOM 1060 CG LYS A 58 6.837 -8.637 40.854 1.00 20.00 C ATOM 1061 CD LYS A 58 7.398 -10.049 40.933 1.00 20.00 C ATOM 1062 CE LYS A 58 7.674 -10.625 39.552 1.00 20.00 C ATOM 1063 NZ LYS A 58 8.681 -9.824 38.806 1.00 20.00 N ATOM 0 H LYS A 58 3.788 -9.692 42.308 1.00 20.00 H new ATOM 0 HA LYS A 58 5.854 -9.908 43.056 1.00 20.00 H new ATOM 0 HB2 LYS A 58 6.228 -7.034 42.138 1.00 20.00 H new ATOM 0 HB3 LYS A 58 7.520 -8.023 42.790 1.00 20.00 H new ATOM 0 HG2 LYS A 58 5.908 -8.645 40.283 1.00 20.00 H new ATOM 0 HG3 LYS A 58 7.536 -7.996 40.317 1.00 20.00 H new ATOM 0 HD2 LYS A 58 8.320 -10.042 41.515 1.00 20.00 H new ATOM 0 HD3 LYS A 58 6.693 -10.691 41.461 1.00 20.00 H new ATOM 0 HE2 LYS A 58 8.028 -11.651 39.651 1.00 20.00 H new ATOM 0 HE3 LYS A 58 6.746 -10.662 38.982 1.00 20.00 H new ATOM 0 HZ1 LYS A 58 9.003 -10.359 37.974 1.00 20.00 H new ATOM 0 HZ2 LYS A 58 8.252 -8.928 38.497 1.00 20.00 H new ATOM 0 HZ3 LYS A 58 9.493 -9.624 39.425 1.00 20.00 H new ATOM 1077 N GLU A 59 6.642 -8.617 45.196 1.00 20.00 N ATOM 1078 CA GLU A 59 6.763 -8.278 46.603 1.00 20.00 C ATOM 1079 C GLU A 59 7.543 -6.981 46.780 1.00 20.00 C ATOM 1080 O GLU A 59 8.703 -6.878 46.371 1.00 20.00 O ATOM 1081 CB GLU A 59 7.463 -9.414 47.349 1.00 20.00 C ATOM 1082 CG GLU A 59 6.689 -10.722 47.330 1.00 20.00 C ATOM 1083 CD GLU A 59 7.464 -11.865 47.944 1.00 20.00 C ATOM 1084 OE1 GLU A 59 7.561 -11.923 49.186 1.00 20.00 O ATOM 1085 OE2 GLU A 59 7.973 -12.721 47.188 1.00 20.00 O ATOM 0 H GLU A 59 7.479 -9.041 44.796 1.00 20.00 H new ATOM 0 HA GLU A 59 5.763 -8.137 47.014 1.00 20.00 H new ATOM 0 HB2 GLU A 59 8.446 -9.577 46.907 1.00 20.00 H new ATOM 0 HB3 GLU A 59 7.625 -9.112 48.384 1.00 20.00 H new ATOM 0 HG2 GLU A 59 5.751 -10.593 47.870 1.00 20.00 H new ATOM 0 HG3 GLU A 59 6.433 -10.973 46.301 1.00 20.00 H new ATOM 1092 N ARG A 60 6.891 -5.992 47.386 1.00 20.00 N ATOM 1093 CA ARG A 60 7.516 -4.700 47.654 1.00 20.00 C ATOM 1094 C ARG A 60 8.648 -4.860 48.661 1.00 20.00 C ATOM 1095 O ARG A 60 9.699 -4.233 48.536 1.00 20.00 O ATOM 1096 CB ARG A 60 6.477 -3.708 48.188 1.00 20.00 C ATOM 1097 CG ARG A 60 7.046 -2.336 48.516 1.00 20.00 C ATOM 1098 CD ARG A 60 5.982 -1.413 49.095 1.00 20.00 C ATOM 1099 NE ARG A 60 5.399 -1.943 50.330 1.00 20.00 N ATOM 1100 CZ ARG A 60 5.074 -1.194 51.385 1.00 20.00 C ATOM 1101 NH1 ARG A 60 5.329 0.108 51.386 1.00 20.00 N ATOM 1102 NH2 ARG A 60 4.508 -1.756 52.448 1.00 20.00 N ATOM 0 H ARG A 60 5.924 -6.062 47.702 1.00 20.00 H new ATOM 0 HA ARG A 60 7.926 -4.313 46.721 1.00 20.00 H new ATOM 0 HB2 ARG A 60 5.684 -3.594 47.449 1.00 20.00 H new ATOM 0 HB3 ARG A 60 6.019 -4.124 49.085 1.00 20.00 H new ATOM 0 HG2 ARG A 60 7.864 -2.441 49.228 1.00 20.00 H new ATOM 0 HG3 ARG A 60 7.464 -1.890 47.614 1.00 20.00 H new ATOM 0 HD2 ARG A 60 6.421 -0.435 49.293 1.00 20.00 H new ATOM 0 HD3 ARG A 60 5.193 -1.264 48.358 1.00 20.00 H new ATOM 0 HE ARG A 60 5.231 -2.947 50.387 1.00 20.00 H new ATOM 0 HH11 ARG A 60 5.776 0.541 50.578 1.00 20.00 H new ATOM 0 HH12 ARG A 60 5.078 0.676 52.195 1.00 20.00 H new ATOM 0 HH21 ARG A 60 4.323 -2.759 52.457 1.00 20.00 H new ATOM 0 HH22 ARG A 60 4.259 -1.184 53.255 1.00 20.00 H new ATOM 1116 N SER A 61 8.424 -5.709 49.651 1.00 20.00 N ATOM 1117 CA SER A 61 9.428 -5.984 50.660 1.00 20.00 C ATOM 1118 C SER A 61 10.454 -6.972 50.111 1.00 20.00 C ATOM 1119 O SER A 61 10.130 -8.134 49.855 1.00 20.00 O ATOM 1120 CB SER A 61 8.762 -6.547 51.921 1.00 20.00 C ATOM 1121 OG SER A 61 9.703 -6.736 52.964 1.00 20.00 O ATOM 0 H SER A 61 7.550 -6.221 49.776 1.00 20.00 H new ATOM 0 HA SER A 61 9.939 -5.057 50.922 1.00 20.00 H new ATOM 0 HB2 SER A 61 7.979 -5.867 52.255 1.00 20.00 H new ATOM 0 HB3 SER A 61 8.281 -7.497 51.687 1.00 20.00 H new ATOM 0 HG SER A 61 10.322 -7.455 52.720 1.00 20.00 H new ATOM 1127 N LYS A 62 11.677 -6.503 49.906 1.00 20.00 N ATOM 1128 CA LYS A 62 12.746 -7.348 49.395 1.00 20.00 C ATOM 1129 C LYS A 62 13.528 -7.961 50.551 1.00 20.00 C ATOM 1130 O LYS A 62 14.094 -7.245 51.377 1.00 20.00 O ATOM 1131 CB LYS A 62 13.691 -6.532 48.508 1.00 20.00 C ATOM 1132 CG LYS A 62 13.011 -5.869 47.317 1.00 20.00 C ATOM 1133 CD LYS A 62 12.531 -6.888 46.294 1.00 20.00 C ATOM 1134 CE LYS A 62 11.968 -6.213 45.053 1.00 20.00 C ATOM 1135 NZ LYS A 62 10.761 -5.399 45.356 1.00 20.00 N ATOM 0 H LYS A 62 11.954 -5.538 50.087 1.00 20.00 H new ATOM 0 HA LYS A 62 12.302 -8.146 48.800 1.00 20.00 H new ATOM 0 HB2 LYS A 62 14.167 -5.762 49.115 1.00 20.00 H new ATOM 0 HB3 LYS A 62 14.483 -7.185 48.143 1.00 20.00 H new ATOM 0 HG2 LYS A 62 12.164 -5.279 47.666 1.00 20.00 H new ATOM 0 HG3 LYS A 62 13.707 -5.178 46.841 1.00 20.00 H new ATOM 0 HD2 LYS A 62 13.359 -7.538 46.011 1.00 20.00 H new ATOM 0 HD3 LYS A 62 11.766 -7.522 46.743 1.00 20.00 H new ATOM 0 HE2 LYS A 62 12.733 -5.575 44.610 1.00 20.00 H new ATOM 0 HE3 LYS A 62 11.716 -6.971 44.311 1.00 20.00 H new ATOM 0 HZ1 LYS A 62 10.295 -5.126 44.468 1.00 20.00 H new ATOM 0 HZ2 LYS A 62 10.102 -5.957 45.935 1.00 20.00 H new ATOM 0 HZ3 LYS A 62 11.041 -4.544 45.877 1.00 20.00 H new ATOM 1149 N GLN A 63 13.549 -9.284 50.610 1.00 20.00 N ATOM 1150 CA GLN A 63 14.234 -9.991 51.683 1.00 20.00 C ATOM 1151 C GLN A 63 15.658 -10.337 51.270 1.00 20.00 C ATOM 1152 O GLN A 63 16.594 -9.656 51.733 1.00 20.00 O ATOM 1153 CB GLN A 63 13.475 -11.266 52.072 1.00 20.00 C ATOM 1154 CG GLN A 63 12.299 -11.041 53.017 1.00 20.00 C ATOM 1155 CD GLN A 63 11.212 -10.157 52.435 1.00 20.00 C ATOM 1156 OE1 GLN A 63 11.231 -8.936 52.601 1.00 20.00 O ATOM 1157 NE2 GLN A 63 10.253 -10.764 51.755 1.00 20.00 N ATOM 1158 OXT GLN A 63 15.835 -11.280 50.474 1.00 20.00 O ATOM 0 H GLN A 63 13.098 -9.892 49.926 1.00 20.00 H new ATOM 0 HA GLN A 63 14.268 -9.332 52.551 1.00 20.00 H new ATOM 0 HB2 GLN A 63 13.108 -11.746 51.165 1.00 20.00 H new ATOM 0 HB3 GLN A 63 14.173 -11.960 52.540 1.00 20.00 H new ATOM 0 HG2 GLN A 63 11.867 -12.006 53.282 1.00 20.00 H new ATOM 0 HG3 GLN A 63 12.666 -10.591 53.940 1.00 20.00 H new ATOM 0 HE21 GLN A 63 10.273 -11.777 51.639 1.00 20.00 H new ATOM 0 HE22 GLN A 63 9.494 -10.219 51.346 1.00 20.00 H new TER 1167 GLN A 63