USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 777 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 54 ASN : amide:sc= 0.801 K(o=1.5,f=-0.0054) USER MOD Set 1.2: A 57 GLN : amide:sc= 0.694 K(o=1.5,f=-2.4!) USER MOD Set 2.1: A 45 ASN : amide:sc= 0.29 K(o=0.61,f=-0.36) USER MOD Set 2.2: A 47 GLN : amide:sc= 0.315 K(o=0.61,f=-0.038) USER MOD Set 3.1: A 32 GLN : amide:sc= 0.298 K(o=1.7,f=-3.9!) USER MOD Set 3.2: A 36 LYS NZ :NH3+ 147:sc= 1.43 (180deg=0.983) USER MOD Single : A 1 LYS N :NH3+ -168:sc= 0.963 (180deg=0.798) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 72:sc= 0.769 USER MOD Single : A 7 LYS NZ :NH3+ 176:sc= 2.15 (180deg=1.74) USER MOD Single : A 9 GLN : amide:sc= 0.823 K(o=0.82,f=-0.05) USER MOD Single : A 13 GLN : amide:sc= 1.1 K(o=1.1,f=-5.9!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 50:sc= 0.14 USER MOD Single : A 25 LYS NZ :NH3+ 169:sc= 1.07 (180deg=0.475) USER MOD Single : A 49 THR OG1 : rot 170:sc= -0.0697 USER MOD Single : A 51 SER OG : rot 129:sc= 1.22 USER MOD Single : A 59 LYS NZ :NH3+ -168:sc= 2.26 (180deg=1.99) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 71 LYS NZ :NH3+ 159:sc= 0.928 (180deg=-0.36!) USER MOD Single : A 74 TYR OH : rot -145:sc= 1.27 USER MOD Single : A 75 LYS NZ :NH3+ 166:sc= 1.01 (180deg=0.884) USER MOD Single : A 78 ASN : amide:sc= 0.606 K(o=0.61,f=-0.22) USER MOD Single : A 82 ASN : amide:sc= 0.5 X(o=0.5,f=0) USER MOD Single : A 84 THR OG1 : rot 125:sc= 1.13 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 1 2.291 14.686 4.470 1.00 0.00 N ATOM 36 CA LYS A 1 1.213 13.973 3.715 1.00 0.00 C ATOM 37 C LYS A 1 1.191 12.497 4.233 1.00 0.00 C ATOM 38 O LYS A 1 2.159 11.750 4.037 1.00 0.00 O ATOM 39 CB LYS A 1 1.305 13.968 2.152 1.00 0.00 C ATOM 40 CG LYS A 1 -0.033 13.606 1.458 1.00 0.00 C ATOM 41 CD LYS A 1 0.069 13.577 -0.081 1.00 0.00 C ATOM 42 CE LYS A 1 -1.320 13.425 -0.732 1.00 0.00 C ATOM 43 NZ LYS A 1 -1.182 13.154 -2.187 1.00 0.00 N ATOM 0 H1 LYS A 1 2.209 15.710 4.309 1.00 0.00 H new ATOM 0 H2 LYS A 1 2.193 14.487 5.486 1.00 0.00 H new ATOM 0 H3 LYS A 1 3.221 14.357 4.141 1.00 0.00 H new ATOM 0 HA LYS A 1 0.299 14.535 3.909 1.00 0.00 H new ATOM 0 HB2 LYS A 1 1.628 14.952 1.811 1.00 0.00 H new ATOM 0 HB3 LYS A 1 2.070 13.256 1.843 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -0.366 12.630 1.812 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -0.794 14.329 1.752 1.00 0.00 H new ATOM 0 HD2 LYS A 1 0.540 14.495 -0.434 1.00 0.00 H new ATOM 0 HD3 LYS A 1 0.710 12.751 -0.390 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -1.866 12.612 -0.254 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -1.902 14.333 -0.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -2.126 13.054 -2.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -0.679 13.943 -2.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -0.644 12.275 -2.327 1.00 0.00 H new ATOM 57 N VAL A 2 0.085 12.053 4.853 1.00 0.00 N ATOM 58 CA VAL A 2 0.053 10.743 5.574 1.00 0.00 C ATOM 59 C VAL A 2 -0.168 9.547 4.586 1.00 0.00 C ATOM 60 O VAL A 2 -1.264 9.356 4.047 1.00 0.00 O ATOM 61 CB VAL A 2 -0.994 10.792 6.743 1.00 0.00 C ATOM 62 CG1 VAL A 2 -1.143 9.451 7.501 1.00 0.00 C ATOM 63 CG2 VAL A 2 -0.660 11.865 7.808 1.00 0.00 C ATOM 0 H VAL A 2 -0.796 12.566 4.877 1.00 0.00 H new ATOM 0 HA VAL A 2 1.027 10.565 6.030 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.925 11.034 6.230 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -1.883 9.561 8.294 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -1.467 8.675 6.807 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -0.184 9.171 7.936 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.419 11.850 8.590 1.00 0.00 H new ATOM 0 HG22 VAL A 2 0.315 11.652 8.246 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -0.640 12.849 7.339 1.00 0.00 H new ATOM 73 N ASP A 3 0.869 8.703 4.424 1.00 0.00 N ATOM 74 CA ASP A 3 0.749 7.384 3.748 1.00 0.00 C ATOM 75 C ASP A 3 0.039 6.342 4.677 1.00 0.00 C ATOM 76 O ASP A 3 0.525 6.017 5.768 1.00 0.00 O ATOM 77 CB ASP A 3 2.179 6.949 3.321 1.00 0.00 C ATOM 78 CG ASP A 3 2.245 5.745 2.381 1.00 0.00 C ATOM 79 OD1 ASP A 3 1.985 4.606 2.825 1.00 0.00 O ATOM 80 OD2 ASP A 3 2.550 5.937 1.183 1.00 0.00 O ATOM 0 H ASP A 3 1.812 8.909 4.754 1.00 0.00 H new ATOM 0 HA ASP A 3 0.120 7.451 2.860 1.00 0.00 H new ATOM 0 HB2 ASP A 3 2.668 7.794 2.836 1.00 0.00 H new ATOM 0 HB3 ASP A 3 2.754 6.720 4.218 1.00 0.00 H new ATOM 85 N ILE A 4 -1.119 5.828 4.231 1.00 0.00 N ATOM 86 CA ILE A 4 -1.830 4.704 4.906 1.00 0.00 C ATOM 87 C ILE A 4 -1.605 3.418 4.045 1.00 0.00 C ATOM 88 O ILE A 4 -2.298 3.171 3.054 1.00 0.00 O ATOM 89 CB ILE A 4 -3.308 5.049 5.331 1.00 0.00 C ATOM 90 CG1 ILE A 4 -4.333 5.326 4.195 1.00 0.00 C ATOM 91 CG2 ILE A 4 -3.310 6.233 6.330 1.00 0.00 C ATOM 92 CD1 ILE A 4 -5.814 5.381 4.614 1.00 0.00 C ATOM 0 H ILE A 4 -1.596 6.171 3.397 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.405 4.503 5.889 1.00 0.00 H new ATOM 0 HB ILE A 4 -3.663 4.124 5.785 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -4.075 6.275 3.724 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.220 4.552 3.436 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -4.335 6.464 6.618 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -2.736 5.962 7.216 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -2.859 7.107 5.859 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -6.433 5.580 3.739 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -6.103 4.426 5.054 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -5.956 6.176 5.347 1.00 0.00 H new ATOM 104 N THR A 5 -0.581 2.624 4.407 1.00 0.00 N ATOM 105 CA THR A 5 -0.195 1.384 3.672 1.00 0.00 C ATOM 106 C THR A 5 -0.699 0.147 4.484 1.00 0.00 C ATOM 107 O THR A 5 -0.149 -0.205 5.535 1.00 0.00 O ATOM 108 CB THR A 5 1.327 1.444 3.324 1.00 0.00 C ATOM 109 OG1 THR A 5 1.523 2.357 2.241 1.00 0.00 O ATOM 110 CG2 THR A 5 1.945 0.127 2.828 1.00 0.00 C ATOM 0 H THR A 5 0.009 2.816 5.217 1.00 0.00 H new ATOM 0 HA THR A 5 -0.679 1.288 2.700 1.00 0.00 H new ATOM 0 HB THR A 5 1.803 1.725 4.263 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.387 3.274 2.558 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.003 0.279 2.615 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.836 -0.638 3.596 1.00 0.00 H new ATOM 0 HG23 THR A 5 1.435 -0.195 1.920 1.00 0.00 H new ATOM 118 N ILE A 6 -1.778 -0.490 3.992 1.00 0.00 N ATOM 119 CA ILE A 6 -2.511 -1.558 4.735 1.00 0.00 C ATOM 120 C ILE A 6 -2.233 -2.917 4.022 1.00 0.00 C ATOM 121 O ILE A 6 -2.744 -3.157 2.924 1.00 0.00 O ATOM 122 CB ILE A 6 -4.052 -1.259 4.866 1.00 0.00 C ATOM 123 CG1 ILE A 6 -4.417 0.181 5.351 1.00 0.00 C ATOM 124 CG2 ILE A 6 -4.741 -2.306 5.783 1.00 0.00 C ATOM 125 CD1 ILE A 6 -4.740 1.158 4.206 1.00 0.00 C ATOM 0 H ILE A 6 -2.173 -0.288 3.074 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.147 -1.598 5.762 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.428 -1.331 3.845 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.276 0.123 6.020 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.586 0.580 5.933 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -5.805 -2.079 5.859 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -4.611 -3.302 5.359 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.291 -2.272 6.775 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.984 2.136 4.620 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -3.875 1.247 3.549 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.591 0.783 3.637 1.00 0.00 H new ATOM 137 N LYS A 7 -1.449 -3.806 4.657 1.00 0.00 N ATOM 138 CA LYS A 7 -1.135 -5.148 4.099 1.00 0.00 C ATOM 139 C LYS A 7 -2.069 -6.244 4.704 1.00 0.00 C ATOM 140 O LYS A 7 -1.965 -6.611 5.881 1.00 0.00 O ATOM 141 CB LYS A 7 0.389 -5.392 4.254 1.00 0.00 C ATOM 142 CG LYS A 7 0.936 -6.662 3.559 1.00 0.00 C ATOM 143 CD LYS A 7 2.335 -7.089 4.074 1.00 0.00 C ATOM 144 CE LYS A 7 3.543 -6.434 3.366 1.00 0.00 C ATOM 145 NZ LYS A 7 3.876 -7.182 2.125 1.00 0.00 N ATOM 0 H LYS A 7 -1.016 -3.625 5.562 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.349 -5.202 3.032 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.920 -4.526 3.859 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.623 -5.452 5.317 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.234 -7.482 3.712 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.990 -6.485 2.485 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.394 -6.861 5.138 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.423 -8.171 3.975 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.313 -5.396 3.124 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.404 -6.422 4.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.645 -6.695 1.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.179 -8.146 2.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.037 -7.229 1.512 1.00 0.00 H new ATOM 159 N ILE A 8 -2.970 -6.779 3.859 1.00 0.00 N ATOM 160 CA ILE A 8 -3.877 -7.911 4.219 1.00 0.00 C ATOM 161 C ILE A 8 -3.107 -9.229 3.873 1.00 0.00 C ATOM 162 O ILE A 8 -2.992 -9.612 2.703 1.00 0.00 O ATOM 163 CB ILE A 8 -5.270 -7.749 3.496 1.00 0.00 C ATOM 164 CG1 ILE A 8 -6.030 -6.455 3.915 1.00 0.00 C ATOM 165 CG2 ILE A 8 -6.209 -8.963 3.717 1.00 0.00 C ATOM 166 CD1 ILE A 8 -7.189 -6.023 2.999 1.00 0.00 C ATOM 0 H ILE A 8 -3.098 -6.446 2.904 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.126 -7.932 5.280 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.014 -7.682 2.439 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.424 -6.599 4.921 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.311 -5.637 3.968 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.151 -8.794 3.196 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.736 -9.865 3.328 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.401 -9.085 4.783 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.642 -5.112 3.390 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.809 -5.837 1.994 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.938 -6.814 2.963 1.00 0.00 H new ATOM 178 N GLN A 9 -2.546 -9.901 4.895 1.00 0.00 N ATOM 179 CA GLN A 9 -1.655 -11.075 4.701 1.00 0.00 C ATOM 180 C GLN A 9 -2.488 -12.398 4.736 1.00 0.00 C ATOM 181 O GLN A 9 -2.916 -12.866 5.799 1.00 0.00 O ATOM 182 CB GLN A 9 -0.524 -11.004 5.772 1.00 0.00 C ATOM 183 CG GLN A 9 0.841 -11.622 5.392 1.00 0.00 C ATOM 184 CD GLN A 9 0.926 -13.147 5.228 1.00 0.00 C ATOM 185 OE1 GLN A 9 0.151 -13.932 5.768 1.00 0.00 O ATOM 186 NE2 GLN A 9 1.918 -13.616 4.512 1.00 0.00 N ATOM 0 H GLN A 9 -2.692 -9.653 5.874 1.00 0.00 H new ATOM 0 HA GLN A 9 -1.180 -11.062 3.720 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -0.363 -9.956 6.026 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -0.881 -11.499 6.675 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.163 -11.168 4.455 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.563 -11.328 6.154 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.568 -12.974 4.059 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.040 -14.623 4.408 1.00 0.00 H new ATOM 195 N ARG A 10 -2.722 -12.981 3.549 1.00 0.00 N ATOM 196 CA ARG A 10 -3.304 -14.345 3.403 1.00 0.00 C ATOM 197 C ARG A 10 -2.297 -15.308 2.691 1.00 0.00 C ATOM 198 O ARG A 10 -1.415 -14.874 1.940 1.00 0.00 O ATOM 199 CB ARG A 10 -4.703 -14.232 2.725 1.00 0.00 C ATOM 200 CG ARG A 10 -4.755 -13.988 1.193 1.00 0.00 C ATOM 201 CD ARG A 10 -6.170 -13.627 0.708 1.00 0.00 C ATOM 202 NE ARG A 10 -6.262 -13.802 -0.770 1.00 0.00 N ATOM 203 CZ ARG A 10 -7.290 -13.431 -1.529 1.00 0.00 C ATOM 204 NH1 ARG A 10 -8.372 -12.861 -1.059 1.00 0.00 N ATOM 205 NH2 ARG A 10 -7.207 -13.649 -2.808 1.00 0.00 N ATOM 0 H ARG A 10 -2.517 -12.529 2.658 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.472 -14.803 4.378 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.251 -15.151 2.935 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.244 -13.420 3.211 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -4.067 -13.184 0.932 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.412 -14.882 0.673 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.906 -14.260 1.204 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.403 -12.597 0.976 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.471 -14.243 -1.238 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -8.459 -12.679 -0.059 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.127 -12.599 -1.693 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.374 -14.091 -3.197 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.975 -13.379 -3.422 1.00 0.00 H new ATOM 219 N ASP A 11 -2.450 -16.631 2.886 1.00 0.00 N ATOM 220 CA ASP A 11 -1.541 -17.649 2.279 1.00 0.00 C ATOM 221 C ASP A 11 -1.568 -17.630 0.712 1.00 0.00 C ATOM 222 O ASP A 11 -2.617 -17.829 0.087 1.00 0.00 O ATOM 223 CB ASP A 11 -1.895 -19.058 2.820 1.00 0.00 C ATOM 224 CG ASP A 11 -1.614 -19.275 4.303 1.00 0.00 C ATOM 225 OD1 ASP A 11 -0.435 -19.410 4.687 1.00 0.00 O ATOM 226 OD2 ASP A 11 -2.568 -19.306 5.109 1.00 0.00 O ATOM 0 H ASP A 11 -3.193 -17.031 3.459 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.523 -17.392 2.570 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.953 -19.245 2.636 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.337 -19.800 2.249 1.00 0.00 H new ATOM 231 N GLY A 12 -0.420 -17.311 0.091 1.00 0.00 N ATOM 232 CA GLY A 12 -0.358 -17.020 -1.368 1.00 0.00 C ATOM 233 C GLY A 12 -0.359 -15.540 -1.825 1.00 0.00 C ATOM 234 O GLY A 12 0.208 -15.263 -2.884 1.00 0.00 O ATOM 0 H GLY A 12 0.480 -17.246 0.567 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.544 -17.488 -1.762 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.206 -17.514 -1.841 1.00 0.00 H new ATOM 238 N GLN A 13 -1.039 -14.616 -1.120 1.00 0.00 N ATOM 239 CA GLN A 13 -1.102 -13.181 -1.513 1.00 0.00 C ATOM 240 C GLN A 13 -0.913 -12.270 -0.261 1.00 0.00 C ATOM 241 O GLN A 13 -1.787 -12.191 0.611 1.00 0.00 O ATOM 242 CB GLN A 13 -2.439 -12.814 -2.223 1.00 0.00 C ATOM 243 CG GLN A 13 -2.746 -13.466 -3.596 1.00 0.00 C ATOM 244 CD GLN A 13 -3.520 -14.786 -3.517 1.00 0.00 C ATOM 245 OE1 GLN A 13 -4.659 -14.842 -3.060 1.00 0.00 O ATOM 246 NE2 GLN A 13 -2.946 -15.877 -3.956 1.00 0.00 N ATOM 0 H GLN A 13 -1.558 -14.832 -0.269 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.293 -13.013 -2.224 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -3.255 -13.066 -1.546 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.458 -11.732 -2.357 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.318 -12.760 -4.199 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.806 -13.642 -4.118 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.001 -15.838 -4.337 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.444 -16.766 -3.917 1.00 0.00 H new ATOM 255 N GLU A 14 0.185 -11.497 -0.227 1.00 0.00 N ATOM 256 CA GLU A 14 0.284 -10.302 0.657 1.00 0.00 C ATOM 257 C GLU A 14 -0.318 -9.069 -0.085 1.00 0.00 C ATOM 258 O GLU A 14 0.222 -8.615 -1.099 1.00 0.00 O ATOM 259 CB GLU A 14 1.741 -10.014 1.103 1.00 0.00 C ATOM 260 CG GLU A 14 2.494 -11.166 1.822 1.00 0.00 C ATOM 261 CD GLU A 14 3.561 -10.752 2.826 1.00 0.00 C ATOM 262 OE1 GLU A 14 4.247 -9.728 2.618 1.00 0.00 O ATOM 263 OE2 GLU A 14 3.701 -11.459 3.846 1.00 0.00 O ATOM 0 H GLU A 14 1.016 -11.668 -0.793 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.283 -10.504 1.566 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.316 -9.730 0.222 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.728 -9.150 1.767 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.760 -11.784 2.339 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.963 -11.794 1.064 1.00 0.00 H new ATOM 270 N ILE A 15 -1.468 -8.559 0.385 1.00 0.00 N ATOM 271 CA ILE A 15 -2.234 -7.508 -0.352 1.00 0.00 C ATOM 272 C ILE A 15 -1.971 -6.132 0.346 1.00 0.00 C ATOM 273 O ILE A 15 -2.789 -5.669 1.149 1.00 0.00 O ATOM 274 CB ILE A 15 -3.742 -7.953 -0.484 1.00 0.00 C ATOM 275 CG1 ILE A 15 -3.945 -9.286 -1.275 1.00 0.00 C ATOM 276 CG2 ILE A 15 -4.645 -6.870 -1.132 1.00 0.00 C ATOM 277 CD1 ILE A 15 -5.219 -10.068 -0.912 1.00 0.00 C ATOM 0 H ILE A 15 -1.896 -8.847 1.265 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.902 -7.380 -1.382 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.043 -8.110 0.552 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.967 -9.059 -2.341 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.081 -9.928 -1.104 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.669 -7.239 -1.193 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.621 -5.965 -0.524 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.280 -6.644 -2.134 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.272 -10.976 -1.512 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.195 -10.333 0.145 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.094 -9.450 -1.111 1.00 0.00 H new ATOM 289 N GLU A 16 -0.840 -5.472 0.021 1.00 0.00 N ATOM 290 CA GLU A 16 -0.575 -4.058 0.413 1.00 0.00 C ATOM 291 C GLU A 16 -1.322 -3.037 -0.496 1.00 0.00 C ATOM 292 O GLU A 16 -1.034 -2.879 -1.685 1.00 0.00 O ATOM 293 CB GLU A 16 0.933 -3.738 0.591 1.00 0.00 C ATOM 294 CG GLU A 16 1.913 -4.175 -0.527 1.00 0.00 C ATOM 295 CD GLU A 16 2.778 -5.367 -0.143 1.00 0.00 C ATOM 296 OE1 GLU A 16 2.235 -6.460 0.134 1.00 0.00 O ATOM 297 OE2 GLU A 16 4.009 -5.207 -0.021 1.00 0.00 O ATOM 0 H GLU A 16 -0.084 -5.895 -0.517 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.003 -3.940 1.409 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.032 -2.660 0.717 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.263 -4.199 1.522 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.343 -4.423 -1.422 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.559 -3.335 -0.782 1.00 0.00 H new ATOM 304 N ILE A 17 -2.290 -2.346 0.119 1.00 0.00 N ATOM 305 CA ILE A 17 -3.066 -1.243 -0.526 1.00 0.00 C ATOM 306 C ILE A 17 -2.630 0.129 0.095 1.00 0.00 C ATOM 307 O ILE A 17 -2.756 0.358 1.304 1.00 0.00 O ATOM 308 CB ILE A 17 -4.618 -1.492 -0.493 1.00 0.00 C ATOM 309 CG1 ILE A 17 -5.219 -1.786 0.914 1.00 0.00 C ATOM 310 CG2 ILE A 17 -5.028 -2.592 -1.508 1.00 0.00 C ATOM 311 CD1 ILE A 17 -6.742 -1.604 1.031 1.00 0.00 C ATOM 0 H ILE A 17 -2.570 -2.526 1.083 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.828 -1.217 -1.589 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.054 -0.537 -0.788 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.970 -2.811 1.190 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.735 -1.134 1.641 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.106 -2.744 -1.464 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.746 -2.282 -2.514 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.520 -3.524 -1.260 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -7.059 -1.833 2.048 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.005 -0.573 0.793 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -7.243 -2.276 0.335 1.00 0.00 H new ATOM 323 N ASP A 18 -2.081 1.025 -0.744 1.00 0.00 N ATOM 324 CA ASP A 18 -1.292 2.200 -0.285 1.00 0.00 C ATOM 325 C ASP A 18 -1.950 3.571 -0.665 1.00 0.00 C ATOM 326 O ASP A 18 -1.832 4.070 -1.790 1.00 0.00 O ATOM 327 CB ASP A 18 0.177 1.970 -0.738 1.00 0.00 C ATOM 328 CG ASP A 18 0.511 1.887 -2.236 1.00 0.00 C ATOM 329 OD1 ASP A 18 -0.225 1.229 -3.000 1.00 0.00 O ATOM 330 OD2 ASP A 18 1.525 2.493 -2.651 1.00 0.00 O ATOM 0 H ASP A 18 -2.167 0.962 -1.758 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.286 2.281 0.802 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.777 2.776 -0.315 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.518 1.043 -0.277 1.00 0.00 H new ATOM 335 N ILE A 19 -2.664 4.180 0.301 1.00 0.00 N ATOM 336 CA ILE A 19 -3.537 5.380 0.076 1.00 0.00 C ATOM 337 C ILE A 19 -2.865 6.632 0.755 1.00 0.00 C ATOM 338 O ILE A 19 -2.423 6.542 1.900 1.00 0.00 O ATOM 339 CB ILE A 19 -5.036 5.176 0.566 1.00 0.00 C ATOM 340 CG1 ILE A 19 -5.538 3.699 0.738 1.00 0.00 C ATOM 341 CG2 ILE A 19 -5.996 5.998 -0.333 1.00 0.00 C ATOM 342 CD1 ILE A 19 -6.975 3.478 1.251 1.00 0.00 C ATOM 0 H ILE A 19 -2.661 3.862 1.270 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.616 5.541 -0.999 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.041 5.548 1.590 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.448 3.201 -0.227 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.857 3.193 1.423 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -7.022 5.856 0.005 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.737 7.055 -0.271 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.905 5.662 -1.366 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.177 2.409 1.318 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -7.083 3.930 2.237 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -7.682 3.939 0.561 1.00 0.00 H new ATOM 354 N ARG A 20 -2.780 7.809 0.098 1.00 0.00 N ATOM 355 CA ARG A 20 -2.116 9.015 0.696 1.00 0.00 C ATOM 356 C ARG A 20 -3.177 10.100 1.067 1.00 0.00 C ATOM 357 O ARG A 20 -3.645 10.836 0.192 1.00 0.00 O ATOM 358 CB ARG A 20 -0.996 9.553 -0.244 1.00 0.00 C ATOM 359 CG ARG A 20 0.287 8.686 -0.321 1.00 0.00 C ATOM 360 CD ARG A 20 0.262 7.604 -1.414 1.00 0.00 C ATOM 361 NE ARG A 20 1.363 6.650 -1.143 1.00 0.00 N ATOM 362 CZ ARG A 20 1.556 5.506 -1.781 1.00 0.00 C ATOM 363 NH1 ARG A 20 0.935 5.151 -2.876 1.00 0.00 N ATOM 364 NH2 ARG A 20 2.393 4.666 -1.262 1.00 0.00 N ATOM 0 H ARG A 20 -3.155 7.961 -0.838 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.626 8.727 1.626 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.407 9.653 -1.249 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.718 10.553 0.087 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.142 9.340 -0.494 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.444 8.205 0.645 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.698 7.087 -1.416 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.383 8.055 -2.399 1.00 0.00 H new ATOM 0 HE ARG A 20 2.025 6.894 -0.406 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.246 5.775 -3.297 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.139 4.250 -3.309 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.875 4.897 -0.393 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.571 3.773 -1.722 1.00 0.00 H new ATOM 378 N VAL A 21 -3.566 10.187 2.354 1.00 0.00 N ATOM 379 CA VAL A 21 -4.820 10.890 2.788 1.00 0.00 C ATOM 380 C VAL A 21 -4.577 12.185 3.635 1.00 0.00 C ATOM 381 O VAL A 21 -3.620 12.311 4.406 1.00 0.00 O ATOM 382 CB VAL A 21 -5.824 9.918 3.515 1.00 0.00 C ATOM 383 CG1 VAL A 21 -6.522 8.958 2.527 1.00 0.00 C ATOM 384 CG2 VAL A 21 -5.255 9.155 4.734 1.00 0.00 C ATOM 0 H VAL A 21 -3.036 9.781 3.125 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.280 11.227 1.859 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.571 10.590 3.938 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.205 8.307 3.073 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.082 9.536 1.792 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.773 8.352 2.017 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.030 8.516 5.157 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.411 8.542 4.418 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.922 9.869 5.487 1.00 0.00 H new ATOM 394 N SER A 22 -5.534 13.126 3.523 1.00 0.00 N ATOM 395 CA SER A 22 -5.657 14.307 4.415 1.00 0.00 C ATOM 396 C SER A 22 -6.507 13.939 5.673 1.00 0.00 C ATOM 397 O SER A 22 -7.734 13.801 5.622 1.00 0.00 O ATOM 398 CB SER A 22 -6.299 15.450 3.594 1.00 0.00 C ATOM 399 OG SER A 22 -5.458 15.848 2.512 1.00 0.00 O ATOM 0 H SER A 22 -6.255 13.092 2.803 1.00 0.00 H new ATOM 0 HA SER A 22 -4.682 14.632 4.778 1.00 0.00 H new ATOM 0 HB2 SER A 22 -7.264 15.124 3.206 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.489 16.305 4.243 1.00 0.00 H new ATOM 0 HG SER A 22 -5.890 16.570 2.010 1.00 0.00 H new ATOM 405 N THR A 23 -5.827 13.725 6.809 1.00 0.00 N ATOM 406 CA THR A 23 -6.405 12.962 7.959 1.00 0.00 C ATOM 407 C THR A 23 -7.455 13.720 8.838 1.00 0.00 C ATOM 408 O THR A 23 -7.144 14.257 9.906 1.00 0.00 O ATOM 409 CB THR A 23 -5.290 12.351 8.860 1.00 0.00 C ATOM 410 OG1 THR A 23 -4.425 13.366 9.359 1.00 0.00 O ATOM 411 CG2 THR A 23 -4.449 11.262 8.190 1.00 0.00 C ATOM 0 H THR A 23 -4.878 14.063 6.970 1.00 0.00 H new ATOM 0 HA THR A 23 -6.972 12.170 7.471 1.00 0.00 H new ATOM 0 HB THR A 23 -5.831 11.869 9.675 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.960 14.089 9.749 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.700 10.897 8.893 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.095 10.438 7.888 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.952 11.675 7.312 1.00 0.00 H new ATOM 419 N GLY A 24 -8.722 13.647 8.419 1.00 0.00 N ATOM 420 CA GLY A 24 -9.879 13.876 9.325 1.00 0.00 C ATOM 421 C GLY A 24 -11.133 13.126 8.844 1.00 0.00 C ATOM 422 O GLY A 24 -11.400 12.007 9.285 1.00 0.00 O ATOM 0 H GLY A 24 -8.985 13.431 7.457 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -9.623 13.549 10.333 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.092 14.943 9.381 1.00 0.00 H new ATOM 426 N LYS A 25 -11.869 13.717 7.892 1.00 0.00 N ATOM 427 CA LYS A 25 -12.942 12.992 7.148 1.00 0.00 C ATOM 428 C LYS A 25 -12.447 11.906 6.127 1.00 0.00 C ATOM 429 O LYS A 25 -13.168 10.931 5.909 1.00 0.00 O ATOM 430 CB LYS A 25 -13.887 14.025 6.468 1.00 0.00 C ATOM 431 CG LYS A 25 -14.731 14.945 7.389 1.00 0.00 C ATOM 432 CD LYS A 25 -15.852 14.230 8.182 1.00 0.00 C ATOM 433 CE LYS A 25 -15.496 13.975 9.659 1.00 0.00 C ATOM 434 NZ LYS A 25 -16.594 13.211 10.305 1.00 0.00 N ATOM 0 H LYS A 25 -11.752 14.690 7.610 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.483 12.411 7.895 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.280 14.661 5.823 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -14.573 13.478 5.821 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -14.063 15.436 8.097 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -15.181 15.729 6.780 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -16.760 14.832 8.134 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -16.075 13.278 7.701 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.561 13.419 9.729 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -15.343 14.922 10.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -16.282 12.877 11.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -17.425 13.826 10.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -16.845 12.395 9.712 1.00 0.00 H new ATOM 448 N GLU A 26 -11.265 12.042 5.484 1.00 0.00 N ATOM 449 CA GLU A 26 -10.637 10.926 4.703 1.00 0.00 C ATOM 450 C GLU A 26 -10.161 9.724 5.587 1.00 0.00 C ATOM 451 O GLU A 26 -10.536 8.587 5.292 1.00 0.00 O ATOM 452 CB GLU A 26 -9.492 11.450 3.801 1.00 0.00 C ATOM 453 CG GLU A 26 -9.893 12.418 2.659 1.00 0.00 C ATOM 454 CD GLU A 26 -8.754 13.009 1.840 1.00 0.00 C ATOM 455 OE1 GLU A 26 -7.620 12.481 1.850 1.00 0.00 O ATOM 456 OE2 GLU A 26 -9.002 14.033 1.175 1.00 0.00 O ATOM 0 H GLU A 26 -10.721 12.905 5.484 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.427 10.528 4.067 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.763 11.955 4.435 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.988 10.591 3.358 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.562 11.888 1.981 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.464 13.239 3.092 1.00 0.00 H new ATOM 463 N LEU A 27 -9.420 9.969 6.694 1.00 0.00 N ATOM 464 CA LEU A 27 -9.184 8.962 7.775 1.00 0.00 C ATOM 465 C LEU A 27 -10.470 8.214 8.264 1.00 0.00 C ATOM 466 O LEU A 27 -10.499 6.991 8.168 1.00 0.00 O ATOM 467 CB LEU A 27 -8.411 9.690 8.915 1.00 0.00 C ATOM 468 CG LEU A 27 -7.983 8.874 10.167 1.00 0.00 C ATOM 469 CD1 LEU A 27 -6.808 7.920 9.884 1.00 0.00 C ATOM 470 CD2 LEU A 27 -7.615 9.833 11.316 1.00 0.00 C ATOM 0 H LEU A 27 -8.967 10.866 6.870 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.587 8.142 7.377 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.511 10.123 8.479 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.030 10.519 9.257 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.834 8.256 10.452 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.553 7.377 10.794 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.094 7.211 9.107 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.944 8.495 9.551 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.316 9.255 12.191 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.790 10.474 11.005 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.479 10.449 11.566 1.00 0.00 H new ATOM 482 N GLU A 28 -11.532 8.921 8.702 1.00 0.00 N ATOM 483 CA GLU A 28 -12.835 8.298 9.089 1.00 0.00 C ATOM 484 C GLU A 28 -13.521 7.385 8.010 1.00 0.00 C ATOM 485 O GLU A 28 -13.911 6.257 8.324 1.00 0.00 O ATOM 486 CB GLU A 28 -13.753 9.459 9.558 1.00 0.00 C ATOM 487 CG GLU A 28 -15.069 9.025 10.254 1.00 0.00 C ATOM 488 CD GLU A 28 -15.990 10.199 10.501 1.00 0.00 C ATOM 489 OE1 GLU A 28 -16.636 10.677 9.541 1.00 0.00 O ATOM 490 OE2 GLU A 28 -16.025 10.732 11.630 1.00 0.00 O ATOM 0 H GLU A 28 -11.521 9.936 8.801 1.00 0.00 H new ATOM 0 HA GLU A 28 -12.642 7.578 9.884 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.190 10.091 10.245 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -14.004 10.073 8.693 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -15.580 8.286 9.636 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -14.836 8.541 11.202 1.00 0.00 H new ATOM 497 N ARG A 29 -13.655 7.853 6.755 1.00 0.00 N ATOM 498 CA ARG A 29 -14.222 7.043 5.633 1.00 0.00 C ATOM 499 C ARG A 29 -13.341 5.836 5.178 1.00 0.00 C ATOM 500 O ARG A 29 -13.879 4.741 4.993 1.00 0.00 O ATOM 501 CB ARG A 29 -14.542 7.988 4.446 1.00 0.00 C ATOM 502 CG ARG A 29 -15.715 8.978 4.688 1.00 0.00 C ATOM 503 CD ARG A 29 -15.903 10.028 3.574 1.00 0.00 C ATOM 504 NE ARG A 29 -14.780 11.004 3.613 1.00 0.00 N ATOM 505 CZ ARG A 29 -14.476 11.885 2.664 1.00 0.00 C ATOM 506 NH1 ARG A 29 -15.207 12.080 1.595 1.00 0.00 N ATOM 507 NH2 ARG A 29 -13.396 12.595 2.806 1.00 0.00 N ATOM 0 H ARG A 29 -13.379 8.795 6.480 1.00 0.00 H new ATOM 0 HA ARG A 29 -15.131 6.576 6.011 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -13.647 8.562 4.207 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -14.774 7.381 3.571 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -16.639 8.409 4.794 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -15.549 9.495 5.633 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -15.939 9.538 2.601 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -16.853 10.546 3.705 1.00 0.00 H new ATOM 0 HE ARG A 29 -14.189 10.997 4.444 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -16.062 11.541 1.456 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -14.922 12.771 0.901 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -12.807 12.469 3.629 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -13.138 13.278 2.094 1.00 0.00 H new ATOM 521 N ALA A 30 -12.010 6.005 5.034 1.00 0.00 N ATOM 522 CA ALA A 30 -11.068 4.865 4.900 1.00 0.00 C ATOM 523 C ALA A 30 -11.050 3.886 6.119 1.00 0.00 C ATOM 524 O ALA A 30 -11.252 2.695 5.906 1.00 0.00 O ATOM 525 CB ALA A 30 -9.689 5.453 4.548 1.00 0.00 C ATOM 0 H ALA A 30 -11.559 6.920 5.007 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.409 4.210 4.098 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.966 4.645 4.440 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -9.758 6.006 3.611 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.366 6.125 5.343 1.00 0.00 H new ATOM 531 N LEU A 31 -10.908 4.350 7.378 1.00 0.00 N ATOM 532 CA LEU A 31 -11.104 3.509 8.601 1.00 0.00 C ATOM 533 C LEU A 31 -12.448 2.693 8.670 1.00 0.00 C ATOM 534 O LEU A 31 -12.406 1.488 8.929 1.00 0.00 O ATOM 535 CB LEU A 31 -10.897 4.437 9.837 1.00 0.00 C ATOM 536 CG LEU A 31 -10.639 3.722 11.191 1.00 0.00 C ATOM 537 CD1 LEU A 31 -9.133 3.587 11.480 1.00 0.00 C ATOM 538 CD2 LEU A 31 -11.317 4.452 12.361 1.00 0.00 C ATOM 0 H LEU A 31 -10.655 5.316 7.587 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.364 2.709 8.576 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.055 5.099 9.632 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -11.780 5.068 9.944 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.074 2.727 11.100 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.990 3.082 12.435 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.661 3.006 10.688 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.680 4.578 11.522 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.112 3.920 13.290 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.927 5.467 12.431 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.393 4.487 12.193 1.00 0.00 H new ATOM 550 N GLN A 32 -13.609 3.317 8.380 1.00 0.00 N ATOM 551 CA GLN A 32 -14.904 2.608 8.172 1.00 0.00 C ATOM 552 C GLN A 32 -14.936 1.568 6.991 1.00 0.00 C ATOM 553 O GLN A 32 -15.448 0.460 7.171 1.00 0.00 O ATOM 554 CB GLN A 32 -15.982 3.719 8.004 1.00 0.00 C ATOM 555 CG GLN A 32 -17.449 3.231 8.126 1.00 0.00 C ATOM 556 CD GLN A 32 -18.471 4.073 7.356 1.00 0.00 C ATOM 557 OE1 GLN A 32 -18.800 3.799 6.205 1.00 0.00 O ATOM 558 NE2 GLN A 32 -19.010 5.111 7.949 1.00 0.00 N ATOM 0 H GLN A 32 -13.682 4.330 8.282 1.00 0.00 H new ATOM 0 HA GLN A 32 -15.092 1.972 9.037 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -15.808 4.490 8.754 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -15.851 4.188 7.029 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -17.506 2.202 7.771 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -17.727 3.221 9.180 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -18.744 5.347 8.905 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -19.695 5.682 7.454 1.00 0.00 H new ATOM 567 N GLU A 33 -14.438 1.913 5.787 1.00 0.00 N ATOM 568 CA GLU A 33 -14.357 0.964 4.638 1.00 0.00 C ATOM 569 C GLU A 33 -13.278 -0.165 4.735 1.00 0.00 C ATOM 570 O GLU A 33 -13.546 -1.308 4.358 1.00 0.00 O ATOM 571 CB GLU A 33 -14.276 1.802 3.335 1.00 0.00 C ATOM 572 CG GLU A 33 -14.696 1.031 2.057 1.00 0.00 C ATOM 573 CD GLU A 33 -16.170 0.632 2.030 1.00 0.00 C ATOM 574 OE1 GLU A 33 -17.042 1.526 1.956 1.00 0.00 O ATOM 575 OE2 GLU A 33 -16.472 -0.569 2.157 1.00 0.00 O ATOM 0 H GLU A 33 -14.082 2.845 5.576 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.266 0.363 4.649 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -14.912 2.681 3.441 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -13.254 2.161 3.210 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -14.481 1.649 1.185 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -14.085 0.133 1.970 1.00 0.00 H new ATOM 582 N LEU A 34 -12.091 0.119 5.291 1.00 0.00 N ATOM 583 CA LEU A 34 -11.121 -0.917 5.751 1.00 0.00 C ATOM 584 C LEU A 34 -11.683 -1.896 6.837 1.00 0.00 C ATOM 585 O LEU A 34 -11.510 -3.106 6.685 1.00 0.00 O ATOM 586 CB LEU A 34 -9.820 -0.205 6.217 1.00 0.00 C ATOM 587 CG LEU A 34 -9.051 0.621 5.145 1.00 0.00 C ATOM 588 CD1 LEU A 34 -8.031 1.549 5.823 1.00 0.00 C ATOM 589 CD2 LEU A 34 -8.383 -0.257 4.079 1.00 0.00 C ATOM 0 H LEU A 34 -11.764 1.074 5.440 1.00 0.00 H new ATOM 0 HA LEU A 34 -10.908 -1.569 4.904 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -10.074 0.461 7.042 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.142 -0.961 6.614 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.786 1.227 4.616 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.499 2.122 5.063 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.551 2.232 6.495 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.319 0.952 6.393 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.863 0.376 3.360 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.668 -0.928 4.556 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.143 -0.844 3.563 1.00 0.00 H new ATOM 601 N GLU A 35 -12.422 -1.413 7.859 1.00 0.00 N ATOM 602 CA GLU A 35 -13.330 -2.256 8.692 1.00 0.00 C ATOM 603 C GLU A 35 -14.353 -3.148 7.897 1.00 0.00 C ATOM 604 O GLU A 35 -14.372 -4.361 8.115 1.00 0.00 O ATOM 605 CB GLU A 35 -14.004 -1.317 9.725 1.00 0.00 C ATOM 606 CG GLU A 35 -14.784 -2.022 10.859 1.00 0.00 C ATOM 607 CD GLU A 35 -15.450 -1.065 11.821 1.00 0.00 C ATOM 608 OE1 GLU A 35 -14.816 -0.662 12.819 1.00 0.00 O ATOM 609 OE2 GLU A 35 -16.653 -0.775 11.665 1.00 0.00 O ATOM 0 H GLU A 35 -12.412 -0.431 8.136 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.729 -3.016 9.192 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -13.235 -0.688 10.174 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -14.688 -0.655 9.195 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -15.543 -2.669 10.419 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -14.100 -2.665 11.414 1.00 0.00 H new ATOM 616 N LYS A 36 -15.145 -2.585 6.957 1.00 0.00 N ATOM 617 CA LYS A 36 -15.989 -3.381 6.006 1.00 0.00 C ATOM 618 C LYS A 36 -15.221 -4.458 5.158 1.00 0.00 C ATOM 619 O LYS A 36 -15.607 -5.631 5.187 1.00 0.00 O ATOM 620 CB LYS A 36 -16.809 -2.427 5.086 1.00 0.00 C ATOM 621 CG LYS A 36 -18.004 -1.694 5.745 1.00 0.00 C ATOM 622 CD LYS A 36 -18.668 -0.661 4.796 1.00 0.00 C ATOM 623 CE LYS A 36 -18.305 0.791 5.159 1.00 0.00 C ATOM 624 NZ LYS A 36 -18.596 1.741 4.054 1.00 0.00 N ATOM 0 H LYS A 36 -15.225 -1.576 6.828 1.00 0.00 H new ATOM 0 HA LYS A 36 -16.659 -3.964 6.638 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -16.130 -1.677 4.680 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -17.186 -3.006 4.243 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -18.748 -2.427 6.056 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -17.661 -1.186 6.646 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -18.360 -0.864 3.770 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -19.751 -0.782 4.833 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -18.861 1.090 6.048 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -17.246 0.846 5.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -18.880 2.659 4.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -17.745 1.865 3.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -19.367 1.365 3.467 1.00 0.00 H new ATOM 638 N ALA A 37 -14.140 -4.084 4.443 1.00 0.00 N ATOM 639 CA ALA A 37 -13.253 -5.047 3.732 1.00 0.00 C ATOM 640 C ALA A 37 -12.541 -6.131 4.607 1.00 0.00 C ATOM 641 O ALA A 37 -12.511 -7.293 4.200 1.00 0.00 O ATOM 642 CB ALA A 37 -12.247 -4.211 2.915 1.00 0.00 C ATOM 0 H ALA A 37 -13.852 -3.111 4.338 1.00 0.00 H new ATOM 0 HA ALA A 37 -13.891 -5.665 3.100 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -11.574 -4.877 2.375 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.787 -3.586 2.204 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.668 -3.578 3.588 1.00 0.00 H new ATOM 648 N LEU A 38 -12.004 -5.788 5.795 1.00 0.00 N ATOM 649 CA LEU A 38 -11.490 -6.783 6.782 1.00 0.00 C ATOM 650 C LEU A 38 -12.582 -7.716 7.410 1.00 0.00 C ATOM 651 O LEU A 38 -12.393 -8.936 7.416 1.00 0.00 O ATOM 652 CB LEU A 38 -10.686 -6.041 7.891 1.00 0.00 C ATOM 653 CG LEU A 38 -9.348 -5.371 7.476 1.00 0.00 C ATOM 654 CD1 LEU A 38 -8.829 -4.467 8.606 1.00 0.00 C ATOM 655 CD2 LEU A 38 -8.280 -6.411 7.105 1.00 0.00 C ATOM 0 H LEU A 38 -11.911 -4.821 6.105 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.842 -7.459 6.225 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -11.330 -5.272 8.317 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -10.473 -6.754 8.687 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.547 -4.766 6.591 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.891 -4.005 8.300 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -9.564 -3.691 8.817 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.664 -5.064 9.503 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.359 -5.902 6.821 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.088 -7.057 7.962 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.634 -7.014 6.269 1.00 0.00 H new ATOM 667 N ALA A 39 -13.709 -7.168 7.918 1.00 0.00 N ATOM 668 CA ALA A 39 -14.854 -7.972 8.428 1.00 0.00 C ATOM 669 C ALA A 39 -15.535 -8.931 7.403 1.00 0.00 C ATOM 670 O ALA A 39 -15.722 -10.110 7.711 1.00 0.00 O ATOM 671 CB ALA A 39 -15.877 -6.987 9.030 1.00 0.00 C ATOM 0 H ALA A 39 -13.855 -6.161 7.988 1.00 0.00 H new ATOM 0 HA ALA A 39 -14.450 -8.660 9.171 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -16.733 -7.541 9.415 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -15.411 -6.429 9.842 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -16.211 -6.293 8.259 1.00 0.00 H new ATOM 677 N ARG A 40 -15.855 -8.467 6.176 1.00 0.00 N ATOM 678 CA ARG A 40 -16.364 -9.347 5.082 1.00 0.00 C ATOM 679 C ARG A 40 -15.218 -10.116 4.306 1.00 0.00 C ATOM 680 O ARG A 40 -15.200 -10.171 3.072 1.00 0.00 O ATOM 681 CB ARG A 40 -17.279 -8.433 4.201 1.00 0.00 C ATOM 682 CG ARG A 40 -18.531 -9.086 3.565 1.00 0.00 C ATOM 683 CD ARG A 40 -18.245 -10.084 2.430 1.00 0.00 C ATOM 684 NE ARG A 40 -19.531 -10.545 1.837 1.00 0.00 N ATOM 685 CZ ARG A 40 -19.644 -11.350 0.781 1.00 0.00 C ATOM 686 NH1 ARG A 40 -18.617 -11.842 0.133 1.00 0.00 N ATOM 687 NH2 ARG A 40 -20.839 -11.664 0.371 1.00 0.00 N ATOM 0 H ARG A 40 -15.772 -7.486 5.910 1.00 0.00 H new ATOM 0 HA ARG A 40 -16.947 -10.182 5.471 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -17.610 -7.595 4.814 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -16.669 -8.019 3.398 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -19.090 -9.600 4.347 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -19.176 -8.297 3.179 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -17.628 -9.613 1.665 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -17.683 -10.936 2.813 1.00 0.00 H new ATOM 0 HE ARG A 40 -20.393 -10.219 2.274 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -17.669 -11.613 0.431 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -18.766 -12.454 -0.669 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -21.658 -11.296 0.855 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -20.957 -12.278 -0.435 1.00 0.00 H new ATOM 701 N ALA A 41 -14.274 -10.733 5.047 1.00 0.00 N ATOM 702 CA ALA A 41 -13.057 -11.392 4.497 1.00 0.00 C ATOM 703 C ALA A 41 -12.363 -12.303 5.564 1.00 0.00 C ATOM 704 O ALA A 41 -12.286 -13.516 5.350 1.00 0.00 O ATOM 705 CB ALA A 41 -12.076 -10.358 3.896 1.00 0.00 C ATOM 0 H ALA A 41 -14.332 -10.792 6.064 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.377 -12.042 3.683 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.199 -10.873 3.504 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.569 -9.815 3.089 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.768 -9.656 4.671 1.00 0.00 H new ATOM 711 N GLY A 42 -11.842 -11.749 6.685 1.00 0.00 N ATOM 712 CA GLY A 42 -11.168 -12.549 7.749 1.00 0.00 C ATOM 713 C GLY A 42 -9.767 -13.116 7.419 1.00 0.00 C ATOM 714 O GLY A 42 -9.602 -14.334 7.331 1.00 0.00 O ATOM 0 H GLY A 42 -11.873 -10.748 6.881 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.080 -11.925 8.638 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.819 -13.384 8.009 1.00 0.00 H new ATOM 718 N ALA A 43 -8.756 -12.245 7.268 1.00 0.00 N ATOM 719 CA ALA A 43 -7.372 -12.669 6.921 1.00 0.00 C ATOM 720 C ALA A 43 -6.473 -12.957 8.166 1.00 0.00 C ATOM 721 O ALA A 43 -6.557 -12.259 9.184 1.00 0.00 O ATOM 722 CB ALA A 43 -6.774 -11.556 6.046 1.00 0.00 C ATOM 0 H ALA A 43 -8.863 -11.237 7.379 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.412 -13.620 6.390 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.755 -11.822 5.765 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.379 -11.435 5.147 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.764 -10.620 6.605 1.00 0.00 H new ATOM 728 N ARG A 44 -5.600 -13.978 8.063 1.00 0.00 N ATOM 729 CA ARG A 44 -4.803 -14.500 9.215 1.00 0.00 C ATOM 730 C ARG A 44 -3.830 -13.517 9.955 1.00 0.00 C ATOM 731 O ARG A 44 -3.851 -13.480 11.190 1.00 0.00 O ATOM 732 CB ARG A 44 -4.153 -15.858 8.820 1.00 0.00 C ATOM 733 CG ARG A 44 -3.005 -15.852 7.769 1.00 0.00 C ATOM 734 CD ARG A 44 -2.497 -17.254 7.372 1.00 0.00 C ATOM 735 NE ARG A 44 -1.748 -17.907 8.481 1.00 0.00 N ATOM 736 CZ ARG A 44 -1.275 -19.155 8.465 1.00 0.00 C ATOM 737 NH1 ARG A 44 -1.401 -19.983 7.459 1.00 0.00 N ATOM 738 NH2 ARG A 44 -0.642 -19.583 9.519 1.00 0.00 N ATOM 0 H ARG A 44 -5.420 -14.469 7.187 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.531 -14.649 10.012 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -3.768 -16.319 9.730 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.944 -16.507 8.444 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.352 -15.337 6.873 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.169 -15.275 8.165 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.343 -17.880 7.087 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.852 -17.172 6.497 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.583 -17.355 9.323 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.888 -19.687 6.613 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.012 -20.924 7.521 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.520 -18.970 10.325 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.268 -20.532 9.539 1.00 0.00 H new ATOM 752 N ASN A 45 -3.006 -12.738 9.230 1.00 0.00 N ATOM 753 CA ASN A 45 -2.226 -11.609 9.815 1.00 0.00 C ATOM 754 C ASN A 45 -2.566 -10.283 9.055 1.00 0.00 C ATOM 755 O ASN A 45 -2.680 -10.258 7.828 1.00 0.00 O ATOM 756 CB ASN A 45 -0.720 -11.992 9.824 1.00 0.00 C ATOM 757 CG ASN A 45 0.237 -11.014 10.521 1.00 0.00 C ATOM 758 OD1 ASN A 45 1.011 -10.303 9.888 1.00 0.00 O ATOM 759 ND2 ASN A 45 0.228 -10.961 11.833 1.00 0.00 N ATOM 0 H ASN A 45 -2.856 -12.864 8.229 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.499 -11.423 10.854 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.620 -12.966 10.303 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.393 -12.110 8.791 1.00 0.00 H new ATOM 0 HD21 ASN A 45 0.863 -10.330 12.322 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.414 -11.550 12.363 1.00 0.00 H new ATOM 766 N VAL A 46 -2.769 -9.178 9.786 1.00 0.00 N ATOM 767 CA VAL A 46 -3.266 -7.894 9.192 1.00 0.00 C ATOM 768 C VAL A 46 -2.364 -6.722 9.708 1.00 0.00 C ATOM 769 O VAL A 46 -2.164 -6.555 10.915 1.00 0.00 O ATOM 770 CB VAL A 46 -4.810 -7.775 9.461 1.00 0.00 C ATOM 771 CG1 VAL A 46 -5.400 -6.364 9.287 1.00 0.00 C ATOM 772 CG2 VAL A 46 -5.635 -8.721 8.557 1.00 0.00 C ATOM 0 H VAL A 46 -2.601 -9.131 10.791 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.175 -7.855 8.106 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.889 -8.053 10.512 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.470 -6.389 9.495 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.912 -5.678 9.979 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.237 -6.025 8.264 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.696 -8.603 8.779 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.454 -8.474 7.511 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.338 -9.753 8.743 1.00 0.00 H new ATOM 782 N GLN A 47 -1.803 -5.926 8.777 1.00 0.00 N ATOM 783 CA GLN A 47 -0.718 -4.951 9.087 1.00 0.00 C ATOM 784 C GLN A 47 -1.101 -3.515 8.614 1.00 0.00 C ATOM 785 O GLN A 47 -1.014 -3.197 7.424 1.00 0.00 O ATOM 786 CB GLN A 47 0.587 -5.439 8.400 1.00 0.00 C ATOM 787 CG GLN A 47 1.230 -6.713 8.990 1.00 0.00 C ATOM 788 CD GLN A 47 2.518 -7.176 8.296 1.00 0.00 C ATOM 789 OE1 GLN A 47 3.383 -6.393 7.912 1.00 0.00 O ATOM 790 NE2 GLN A 47 2.707 -8.466 8.152 1.00 0.00 N ATOM 0 H GLN A 47 -2.080 -5.933 7.795 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.568 -4.898 10.165 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.373 -5.619 7.346 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.320 -4.633 8.444 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.447 -6.537 10.044 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.501 -7.522 8.946 1.00 0.00 H new ATOM 0 HE21 GLN A 47 1.995 -9.124 8.468 1.00 0.00 H new ATOM 0 HE22 GLN A 47 3.566 -8.811 7.724 1.00 0.00 H new ATOM 799 N ILE A 48 -1.497 -2.635 9.551 1.00 0.00 N ATOM 800 CA ILE A 48 -1.886 -1.225 9.230 1.00 0.00 C ATOM 801 C ILE A 48 -0.632 -0.318 9.486 1.00 0.00 C ATOM 802 O ILE A 48 -0.220 -0.167 10.639 1.00 0.00 O ATOM 803 CB ILE A 48 -3.166 -0.788 10.045 1.00 0.00 C ATOM 804 CG1 ILE A 48 -4.523 -1.458 9.664 1.00 0.00 C ATOM 805 CG2 ILE A 48 -3.439 0.735 9.929 1.00 0.00 C ATOM 806 CD1 ILE A 48 -4.643 -2.977 9.841 1.00 0.00 C ATOM 0 H ILE A 48 -1.560 -2.864 10.543 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.177 -1.124 8.184 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.885 -1.118 11.045 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.307 -0.988 10.258 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.731 -1.225 8.620 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.328 0.990 10.505 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.584 1.289 10.317 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.597 0.998 8.883 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.638 -3.301 9.537 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.895 -3.475 9.224 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.481 -3.235 10.887 1.00 0.00 H new ATOM 818 N THR A 49 -0.061 0.312 8.436 1.00 0.00 N ATOM 819 CA THR A 49 1.043 1.313 8.584 1.00 0.00 C ATOM 820 C THR A 49 0.478 2.746 8.354 1.00 0.00 C ATOM 821 O THR A 49 0.070 3.069 7.236 1.00 0.00 O ATOM 822 CB THR A 49 2.232 1.033 7.606 1.00 0.00 C ATOM 823 OG1 THR A 49 2.543 -0.354 7.557 1.00 0.00 O ATOM 824 CG2 THR A 49 3.523 1.788 7.983 1.00 0.00 C ATOM 0 H THR A 49 -0.341 0.151 7.469 1.00 0.00 H new ATOM 0 HA THR A 49 1.438 1.228 9.596 1.00 0.00 H new ATOM 0 HB THR A 49 1.888 1.390 6.635 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.174 -0.522 6.826 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.307 1.549 7.265 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.334 2.861 7.970 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.842 1.488 8.981 1.00 0.00 H new ATOM 832 N ILE A 50 0.488 3.608 9.385 1.00 0.00 N ATOM 833 CA ILE A 50 0.079 5.041 9.236 1.00 0.00 C ATOM 834 C ILE A 50 1.358 5.929 9.373 1.00 0.00 C ATOM 835 O ILE A 50 1.879 6.087 10.485 1.00 0.00 O ATOM 836 CB ILE A 50 -1.042 5.458 10.255 1.00 0.00 C ATOM 837 CG1 ILE A 50 -2.252 4.494 10.427 1.00 0.00 C ATOM 838 CG2 ILE A 50 -1.558 6.892 9.975 1.00 0.00 C ATOM 839 CD1 ILE A 50 -3.138 4.219 9.204 1.00 0.00 C ATOM 0 H ILE A 50 0.771 3.353 10.331 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.366 5.186 8.252 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.516 5.404 11.208 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.868 3.538 10.782 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.888 4.895 11.216 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.332 7.148 10.698 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.733 7.599 10.061 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.972 6.939 8.968 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.937 3.531 9.481 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.572 5.155 8.851 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.536 3.776 8.411 1.00 0.00 H new ATOM 851 N SER A 51 1.841 6.545 8.276 1.00 0.00 N ATOM 852 CA SER A 51 3.031 7.448 8.312 1.00 0.00 C ATOM 853 C SER A 51 2.660 8.887 8.795 1.00 0.00 C ATOM 854 O SER A 51 2.355 9.775 7.995 1.00 0.00 O ATOM 855 CB SER A 51 3.737 7.359 6.931 1.00 0.00 C ATOM 856 OG SER A 51 5.103 7.787 6.997 1.00 0.00 O ATOM 0 H SER A 51 1.431 6.440 7.348 1.00 0.00 H new ATOM 0 HA SER A 51 3.752 7.125 9.063 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.696 6.332 6.569 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.199 7.973 6.209 1.00 0.00 H new ATOM 0 HG SER A 51 5.679 7.108 6.588 1.00 0.00 H new ATOM 862 N ALA A 52 2.611 9.086 10.129 1.00 0.00 N ATOM 863 CA ALA A 52 1.962 10.272 10.741 1.00 0.00 C ATOM 864 C ALA A 52 2.833 11.565 10.778 1.00 0.00 C ATOM 865 O ALA A 52 4.068 11.521 10.807 1.00 0.00 O ATOM 866 CB ALA A 52 1.515 9.837 12.152 1.00 0.00 C ATOM 0 H ALA A 52 3.014 8.440 10.808 1.00 0.00 H new ATOM 0 HA ALA A 52 1.122 10.572 10.115 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.028 10.673 12.653 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.815 9.005 12.072 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.385 9.525 12.729 1.00 0.00 H new ATOM 872 N GLU A 53 2.160 12.725 10.828 1.00 0.00 N ATOM 873 CA GLU A 53 2.826 14.063 10.817 1.00 0.00 C ATOM 874 C GLU A 53 3.591 14.425 12.147 1.00 0.00 C ATOM 875 O GLU A 53 4.694 14.973 12.096 1.00 0.00 O ATOM 876 CB GLU A 53 1.773 15.165 10.474 1.00 0.00 C ATOM 877 CG GLU A 53 0.837 14.992 9.243 1.00 0.00 C ATOM 878 CD GLU A 53 1.430 15.186 7.856 1.00 0.00 C ATOM 879 OE1 GLU A 53 2.092 14.268 7.327 1.00 0.00 O ATOM 880 OE2 GLU A 53 1.177 16.251 7.258 1.00 0.00 O ATOM 0 H GLU A 53 1.142 12.776 10.877 1.00 0.00 H new ATOM 0 HA GLU A 53 3.598 14.015 10.049 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.136 15.289 11.350 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.315 16.101 10.339 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.412 13.989 9.286 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.010 15.693 9.353 1.00 0.00 H new ATOM 887 N ASN A 54 2.998 14.146 13.329 1.00 0.00 N ATOM 888 CA ASN A 54 3.589 14.473 14.662 1.00 0.00 C ATOM 889 C ASN A 54 3.432 13.272 15.658 1.00 0.00 C ATOM 890 O ASN A 54 2.534 12.430 15.533 1.00 0.00 O ATOM 891 CB ASN A 54 2.909 15.758 15.227 1.00 0.00 C ATOM 892 CG ASN A 54 3.269 17.065 14.508 1.00 0.00 C ATOM 893 OD1 ASN A 54 4.366 17.597 14.640 1.00 0.00 O ATOM 894 ND2 ASN A 54 2.372 17.626 13.735 1.00 0.00 N ATOM 0 H ASN A 54 2.090 13.685 13.394 1.00 0.00 H new ATOM 0 HA ASN A 54 4.656 14.657 14.541 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.828 15.625 15.183 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.176 15.857 16.279 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.589 18.497 13.250 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.456 17.192 13.618 1.00 0.00 H new ATOM 901 N ASP A 55 4.285 13.229 16.697 1.00 0.00 N ATOM 902 CA ASP A 55 4.185 12.249 17.825 1.00 0.00 C ATOM 903 C ASP A 55 2.844 12.219 18.651 1.00 0.00 C ATOM 904 O ASP A 55 2.311 11.136 18.918 1.00 0.00 O ATOM 905 CB ASP A 55 5.451 12.403 18.715 1.00 0.00 C ATOM 906 CG ASP A 55 5.638 13.752 19.418 1.00 0.00 C ATOM 907 OD1 ASP A 55 5.904 14.754 18.719 1.00 0.00 O ATOM 908 OD2 ASP A 55 5.495 13.815 20.656 1.00 0.00 O ATOM 0 H ASP A 55 5.072 13.871 16.790 1.00 0.00 H new ATOM 0 HA ASP A 55 4.145 11.262 17.364 1.00 0.00 H new ATOM 0 HB2 ASP A 55 5.429 11.623 19.476 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.328 12.218 18.094 1.00 0.00 H new ATOM 913 N GLU A 56 2.262 13.385 18.997 1.00 0.00 N ATOM 914 CA GLU A 56 0.888 13.484 19.586 1.00 0.00 C ATOM 915 C GLU A 56 -0.262 12.885 18.691 1.00 0.00 C ATOM 916 O GLU A 56 -1.090 12.107 19.180 1.00 0.00 O ATOM 917 CB GLU A 56 0.595 14.966 19.962 1.00 0.00 C ATOM 918 CG GLU A 56 1.512 15.608 21.038 1.00 0.00 C ATOM 919 CD GLU A 56 1.158 17.050 21.376 1.00 0.00 C ATOM 920 OE1 GLU A 56 1.569 17.963 20.629 1.00 0.00 O ATOM 921 OE2 GLU A 56 0.470 17.273 22.395 1.00 0.00 O ATOM 0 H GLU A 56 2.720 14.289 18.881 1.00 0.00 H new ATOM 0 HA GLU A 56 0.889 12.857 20.478 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.663 15.567 19.055 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.436 15.031 20.311 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.461 15.010 21.948 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.544 15.571 20.690 1.00 0.00 H new ATOM 928 N GLN A 57 -0.267 13.192 17.375 1.00 0.00 N ATOM 929 CA GLN A 57 -1.091 12.470 16.357 1.00 0.00 C ATOM 930 C GLN A 57 -0.826 10.927 16.258 1.00 0.00 C ATOM 931 O GLN A 57 -1.787 10.154 16.215 1.00 0.00 O ATOM 932 CB GLN A 57 -0.907 13.151 14.967 1.00 0.00 C ATOM 933 CG GLN A 57 -1.436 14.607 14.847 1.00 0.00 C ATOM 934 CD GLN A 57 -1.047 15.315 13.546 1.00 0.00 C ATOM 935 OE1 GLN A 57 -0.054 16.032 13.474 1.00 0.00 O ATOM 936 NE2 GLN A 57 -1.798 15.157 12.483 1.00 0.00 N ATOM 0 H GLN A 57 0.296 13.945 16.980 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.124 12.549 16.695 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.155 13.150 14.722 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -1.408 12.540 14.216 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -2.523 14.594 14.929 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -1.060 15.188 15.689 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.627 14.564 12.528 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -1.554 15.627 11.611 1.00 0.00 H new ATOM 945 N ALA A 58 0.445 10.473 16.266 1.00 0.00 N ATOM 946 CA ALA A 58 0.801 9.040 16.433 1.00 0.00 C ATOM 947 C ALA A 58 0.246 8.303 17.702 1.00 0.00 C ATOM 948 O ALA A 58 -0.171 7.153 17.561 1.00 0.00 O ATOM 949 CB ALA A 58 2.333 8.936 16.309 1.00 0.00 C ATOM 0 H ALA A 58 1.254 11.084 16.158 1.00 0.00 H new ATOM 0 HA ALA A 58 0.287 8.492 15.643 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.638 7.896 16.426 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.644 9.297 15.329 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.803 9.541 17.084 1.00 0.00 H new ATOM 955 N LYS A 59 0.161 8.936 18.897 1.00 0.00 N ATOM 956 CA LYS A 59 -0.635 8.384 20.041 1.00 0.00 C ATOM 957 C LYS A 59 -2.173 8.222 19.775 1.00 0.00 C ATOM 958 O LYS A 59 -2.733 7.172 20.108 1.00 0.00 O ATOM 959 CB LYS A 59 -0.379 9.177 21.355 1.00 0.00 C ATOM 960 CG LYS A 59 -0.916 8.464 22.640 1.00 0.00 C ATOM 961 CD LYS A 59 -1.863 9.263 23.570 1.00 0.00 C ATOM 962 CE LYS A 59 -3.170 9.850 22.988 1.00 0.00 C ATOM 963 NZ LYS A 59 -4.152 8.856 22.468 1.00 0.00 N ATOM 0 H LYS A 59 0.626 9.821 19.102 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.261 7.367 20.157 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.693 9.343 21.465 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.847 10.158 21.273 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.439 7.560 22.327 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.056 8.147 23.231 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.137 8.611 24.399 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.290 10.090 23.990 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.657 10.442 23.763 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.911 10.534 22.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.889 9.348 21.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.664 8.175 21.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.590 8.351 23.265 1.00 0.00 H new ATOM 977 N GLU A 60 -2.864 9.238 19.225 1.00 0.00 N ATOM 978 CA GLU A 60 -4.280 9.100 18.759 1.00 0.00 C ATOM 979 C GLU A 60 -4.519 7.990 17.682 1.00 0.00 C ATOM 980 O GLU A 60 -5.427 7.168 17.833 1.00 0.00 O ATOM 981 CB GLU A 60 -4.808 10.490 18.303 1.00 0.00 C ATOM 982 CG GLU A 60 -5.064 11.531 19.426 1.00 0.00 C ATOM 983 CD GLU A 60 -6.185 11.171 20.392 1.00 0.00 C ATOM 984 OE1 GLU A 60 -5.923 10.431 21.366 1.00 0.00 O ATOM 985 OE2 GLU A 60 -7.329 11.620 20.179 1.00 0.00 O ATOM 0 H GLU A 60 -2.474 10.170 19.087 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.858 8.747 19.613 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.091 10.914 17.600 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.739 10.340 17.757 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.143 11.664 19.994 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.296 12.491 18.965 1.00 0.00 H new ATOM 992 N LEU A 61 -3.671 7.919 16.646 1.00 0.00 N ATOM 993 CA LEU A 61 -3.648 6.795 15.669 1.00 0.00 C ATOM 994 C LEU A 61 -3.325 5.389 16.283 1.00 0.00 C ATOM 995 O LEU A 61 -4.100 4.459 16.062 1.00 0.00 O ATOM 996 CB LEU A 61 -2.693 7.204 14.516 1.00 0.00 C ATOM 997 CG LEU A 61 -3.160 8.398 13.633 1.00 0.00 C ATOM 998 CD1 LEU A 61 -1.962 8.992 12.880 1.00 0.00 C ATOM 999 CD2 LEU A 61 -4.292 8.001 12.668 1.00 0.00 C ATOM 0 H LEU A 61 -2.974 8.638 16.452 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.658 6.643 15.287 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.723 7.454 14.946 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.543 6.338 13.871 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.573 9.162 14.292 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.297 9.827 12.264 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.220 9.344 13.597 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.517 8.227 12.243 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.584 8.867 12.074 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.945 7.207 12.007 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.150 7.648 13.240 1.00 0.00 H new ATOM 1011 N LEU A 62 -2.261 5.227 17.096 1.00 0.00 N ATOM 1012 CA LEU A 62 -2.021 4.004 17.930 1.00 0.00 C ATOM 1013 C LEU A 62 -3.237 3.494 18.777 1.00 0.00 C ATOM 1014 O LEU A 62 -3.629 2.329 18.653 1.00 0.00 O ATOM 1015 CB LEU A 62 -0.743 4.304 18.774 1.00 0.00 C ATOM 1016 CG LEU A 62 -0.276 3.259 19.821 1.00 0.00 C ATOM 1017 CD1 LEU A 62 0.012 1.885 19.205 1.00 0.00 C ATOM 1018 CD2 LEU A 62 0.981 3.763 20.550 1.00 0.00 C ATOM 0 H LEU A 62 -1.535 5.936 17.202 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.874 3.148 17.271 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.081 4.466 18.079 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.907 5.246 19.298 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.099 3.136 20.525 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.335 1.197 19.986 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.893 1.501 18.734 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.799 1.979 18.457 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.299 3.021 21.282 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.780 3.925 19.827 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.756 4.701 21.058 1.00 0.00 H new ATOM 1030 N GLU A 63 -3.841 4.378 19.590 1.00 0.00 N ATOM 1031 CA GLU A 63 -5.108 4.096 20.319 1.00 0.00 C ATOM 1032 C GLU A 63 -6.334 3.743 19.400 1.00 0.00 C ATOM 1033 O GLU A 63 -6.977 2.715 19.622 1.00 0.00 O ATOM 1034 CB GLU A 63 -5.333 5.314 21.257 1.00 0.00 C ATOM 1035 CG GLU A 63 -6.334 5.096 22.418 1.00 0.00 C ATOM 1036 CD GLU A 63 -6.561 6.324 23.292 1.00 0.00 C ATOM 1037 OE1 GLU A 63 -5.577 6.981 23.708 1.00 0.00 O ATOM 1038 OE2 GLU A 63 -7.737 6.635 23.568 1.00 0.00 O ATOM 0 H GLU A 63 -3.471 5.312 19.766 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.018 3.176 20.897 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.372 5.604 21.681 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.682 6.153 20.655 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.290 4.779 22.002 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.973 4.281 23.045 1.00 0.00 H new ATOM 1045 N LEU A 64 -6.612 4.538 18.347 1.00 0.00 N ATOM 1046 CA LEU A 64 -7.626 4.220 17.299 1.00 0.00 C ATOM 1047 C LEU A 64 -7.447 2.865 16.529 1.00 0.00 C ATOM 1048 O LEU A 64 -8.433 2.142 16.369 1.00 0.00 O ATOM 1049 CB LEU A 64 -7.688 5.460 16.361 1.00 0.00 C ATOM 1050 CG LEU A 64 -8.796 5.519 15.276 1.00 0.00 C ATOM 1051 CD1 LEU A 64 -10.210 5.610 15.879 1.00 0.00 C ATOM 1052 CD2 LEU A 64 -8.554 6.735 14.361 1.00 0.00 C ATOM 0 H LEU A 64 -6.140 5.428 18.191 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.579 4.035 17.794 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.793 6.345 16.989 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.726 5.540 15.855 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.742 4.591 14.707 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.946 5.649 15.076 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.397 4.735 16.501 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.289 6.511 16.487 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.332 6.777 13.599 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.579 7.648 14.955 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.580 6.641 13.881 1.00 0.00 H new ATOM 1064 N ILE A 65 -6.234 2.502 16.070 1.00 0.00 N ATOM 1065 CA ILE A 65 -5.976 1.208 15.354 1.00 0.00 C ATOM 1066 C ILE A 65 -6.128 -0.048 16.289 1.00 0.00 C ATOM 1067 O ILE A 65 -6.824 -0.992 15.904 1.00 0.00 O ATOM 1068 CB ILE A 65 -4.600 1.216 14.595 1.00 0.00 C ATOM 1069 CG1 ILE A 65 -4.334 2.436 13.657 1.00 0.00 C ATOM 1070 CG2 ILE A 65 -4.384 -0.064 13.745 1.00 0.00 C ATOM 1071 CD1 ILE A 65 -2.838 2.785 13.553 1.00 0.00 C ATOM 0 H ILE A 65 -5.402 3.082 16.177 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.756 1.120 14.598 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.895 1.277 15.424 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.723 2.217 12.662 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.881 3.302 14.029 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.419 -0.008 13.241 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.404 -0.939 14.394 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.177 -0.145 13.002 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.709 3.640 12.889 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.452 3.032 14.542 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.292 1.930 13.154 1.00 0.00 H new ATOM 1083 N ALA A 66 -5.522 -0.078 17.497 1.00 0.00 N ATOM 1084 CA ALA A 66 -5.809 -1.137 18.509 1.00 0.00 C ATOM 1085 C ALA A 66 -7.316 -1.286 18.921 1.00 0.00 C ATOM 1086 O ALA A 66 -7.864 -2.387 18.836 1.00 0.00 O ATOM 1087 CB ALA A 66 -4.874 -0.886 19.708 1.00 0.00 C ATOM 0 H ALA A 66 -4.834 0.611 17.800 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.608 -2.108 18.056 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.053 -1.641 20.473 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -3.837 -0.942 19.378 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.070 0.103 20.122 1.00 0.00 H new ATOM 1093 N ARG A 67 -8.003 -0.174 19.249 1.00 0.00 N ATOM 1094 CA ARG A 67 -9.494 -0.091 19.327 1.00 0.00 C ATOM 1095 C ARG A 67 -10.297 -0.643 18.092 1.00 0.00 C ATOM 1096 O ARG A 67 -11.236 -1.421 18.287 1.00 0.00 O ATOM 1097 CB ARG A 67 -9.744 1.409 19.653 1.00 0.00 C ATOM 1098 CG ARG A 67 -11.183 1.918 19.886 1.00 0.00 C ATOM 1099 CD ARG A 67 -11.135 3.418 20.243 1.00 0.00 C ATOM 1100 NE ARG A 67 -12.499 3.985 20.402 1.00 0.00 N ATOM 1101 CZ ARG A 67 -12.765 5.240 20.774 1.00 0.00 C ATOM 1102 NH1 ARG A 67 -11.841 6.123 21.078 1.00 0.00 N ATOM 1103 NH2 ARG A 67 -14.010 5.611 20.840 1.00 0.00 N ATOM 0 H ARG A 67 -7.542 0.708 19.472 1.00 0.00 H new ATOM 0 HA ARG A 67 -9.888 -0.766 20.086 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -9.167 1.647 20.547 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.322 1.993 18.836 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -11.786 1.763 18.991 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -11.656 1.355 20.691 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.573 3.555 21.167 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -10.603 3.962 19.463 1.00 0.00 H new ATOM 0 HE ARG A 67 -13.291 3.370 20.213 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -10.855 5.864 21.037 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -12.109 7.067 21.355 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -14.752 4.950 20.611 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -14.244 6.563 21.121 1.00 0.00 H new ATOM 1117 N LEU A 68 -9.916 -0.300 16.843 1.00 0.00 N ATOM 1118 CA LEU A 68 -10.456 -0.935 15.607 1.00 0.00 C ATOM 1119 C LEU A 68 -10.224 -2.482 15.488 1.00 0.00 C ATOM 1120 O LEU A 68 -11.186 -3.226 15.281 1.00 0.00 O ATOM 1121 CB LEU A 68 -9.850 -0.166 14.394 1.00 0.00 C ATOM 1122 CG LEU A 68 -10.513 -0.461 13.021 1.00 0.00 C ATOM 1123 CD1 LEU A 68 -11.778 0.390 12.848 1.00 0.00 C ATOM 1124 CD2 LEU A 68 -9.550 -0.218 11.848 1.00 0.00 C ATOM 0 H LEU A 68 -9.224 0.426 16.656 1.00 0.00 H new ATOM 0 HA LEU A 68 -11.543 -0.854 15.637 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -9.922 0.904 14.591 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.789 -0.407 14.326 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.781 -1.517 13.011 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -12.233 0.173 11.881 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -12.486 0.155 13.643 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -11.515 1.447 12.897 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -10.058 -0.437 10.909 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -9.228 0.823 11.852 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -8.681 -0.867 11.951 1.00 0.00 H new ATOM 1136 N LEU A 69 -8.975 -2.969 15.605 1.00 0.00 N ATOM 1137 CA LEU A 69 -8.661 -4.422 15.485 1.00 0.00 C ATOM 1138 C LEU A 69 -9.156 -5.318 16.671 1.00 0.00 C ATOM 1139 O LEU A 69 -9.607 -6.439 16.418 1.00 0.00 O ATOM 1140 CB LEU A 69 -7.159 -4.610 15.117 1.00 0.00 C ATOM 1141 CG LEU A 69 -6.731 -4.429 13.630 1.00 0.00 C ATOM 1142 CD1 LEU A 69 -7.441 -5.377 12.645 1.00 0.00 C ATOM 1143 CD2 LEU A 69 -6.885 -3.001 13.107 1.00 0.00 C ATOM 0 H LEU A 69 -8.159 -2.384 15.783 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.261 -4.808 14.661 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.580 -3.908 15.717 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.864 -5.612 15.427 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.672 -4.686 13.664 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.085 -5.184 11.633 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.225 -6.411 12.915 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.517 -5.208 12.689 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.566 -2.959 12.065 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.929 -2.698 13.180 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.269 -2.327 13.703 1.00 0.00 H new ATOM 1155 N GLN A 70 -9.170 -4.831 17.928 1.00 0.00 N ATOM 1156 CA GLN A 70 -9.967 -5.443 19.037 1.00 0.00 C ATOM 1157 C GLN A 70 -11.518 -5.504 18.784 1.00 0.00 C ATOM 1158 O GLN A 70 -12.112 -6.565 18.992 1.00 0.00 O ATOM 1159 CB GLN A 70 -9.614 -4.713 20.366 1.00 0.00 C ATOM 1160 CG GLN A 70 -8.167 -4.959 20.876 1.00 0.00 C ATOM 1161 CD GLN A 70 -7.737 -4.103 22.068 1.00 0.00 C ATOM 1162 OE1 GLN A 70 -7.138 -3.043 21.928 1.00 0.00 O ATOM 1163 NE2 GLN A 70 -7.986 -4.542 23.276 1.00 0.00 N ATOM 0 H GLN A 70 -8.637 -4.009 18.213 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.683 -6.494 19.097 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.758 -3.642 20.226 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.316 -5.031 21.137 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.071 -6.009 21.151 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -7.475 -4.780 20.053 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -8.484 -5.423 23.406 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.682 -4.003 24.087 1.00 0.00 H new ATOM 1172 N LYS A 71 -12.158 -4.424 18.279 1.00 0.00 N ATOM 1173 CA LYS A 71 -13.548 -4.468 17.715 1.00 0.00 C ATOM 1174 C LYS A 71 -13.781 -5.509 16.559 1.00 0.00 C ATOM 1175 O LYS A 71 -14.778 -6.234 16.592 1.00 0.00 O ATOM 1176 CB LYS A 71 -13.915 -2.997 17.348 1.00 0.00 C ATOM 1177 CG LYS A 71 -15.365 -2.660 16.911 1.00 0.00 C ATOM 1178 CD LYS A 71 -15.682 -2.926 15.417 1.00 0.00 C ATOM 1179 CE LYS A 71 -16.956 -2.235 14.875 1.00 0.00 C ATOM 1180 NZ LYS A 71 -16.718 -0.792 14.617 1.00 0.00 N ATOM 0 H LYS A 71 -11.736 -3.496 18.246 1.00 0.00 H new ATOM 0 HA LYS A 71 -14.234 -4.860 18.466 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.681 -2.376 18.213 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -13.250 -2.685 16.543 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -16.056 -3.241 17.522 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -15.557 -1.609 17.125 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.831 -2.601 14.819 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -15.782 -4.001 15.270 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -17.274 -2.724 13.954 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -17.768 -2.349 15.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -17.429 -0.437 13.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -16.790 -0.263 15.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -15.768 -0.663 14.214 1.00 0.00 H new ATOM 1194 N LEU A 72 -12.863 -5.622 15.582 1.00 0.00 N ATOM 1195 CA LEU A 72 -12.861 -6.722 14.566 1.00 0.00 C ATOM 1196 C LEU A 72 -12.513 -8.183 15.049 1.00 0.00 C ATOM 1197 O LEU A 72 -12.616 -9.108 14.238 1.00 0.00 O ATOM 1198 CB LEU A 72 -11.889 -6.274 13.430 1.00 0.00 C ATOM 1199 CG LEU A 72 -12.378 -5.121 12.507 1.00 0.00 C ATOM 1200 CD1 LEU A 72 -11.205 -4.439 11.788 1.00 0.00 C ATOM 1201 CD2 LEU A 72 -13.376 -5.646 11.463 1.00 0.00 C ATOM 0 H LEU A 72 -12.096 -4.960 15.464 1.00 0.00 H new ATOM 0 HA LEU A 72 -13.897 -6.840 14.250 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.948 -5.968 13.888 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.672 -7.141 12.806 1.00 0.00 H new ATOM 0 HG LEU A 72 -12.871 -4.387 13.144 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.584 -3.639 11.152 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -10.519 -4.022 12.525 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -10.679 -5.171 11.175 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -13.705 -4.823 10.828 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.894 -6.407 10.850 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -14.238 -6.080 11.970 1.00 0.00 H new ATOM 1213 N GLY A 73 -12.112 -8.421 16.315 1.00 0.00 N ATOM 1214 CA GLY A 73 -11.756 -9.783 16.819 1.00 0.00 C ATOM 1215 C GLY A 73 -10.265 -10.196 16.936 1.00 0.00 C ATOM 1216 O GLY A 73 -9.991 -11.302 17.410 1.00 0.00 O ATOM 0 H GLY A 73 -12.023 -7.688 17.019 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.202 -9.891 17.808 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -12.244 -10.508 16.168 1.00 0.00 H new ATOM 1220 N TYR A 74 -9.304 -9.347 16.552 1.00 0.00 N ATOM 1221 CA TYR A 74 -7.862 -9.710 16.465 1.00 0.00 C ATOM 1222 C TYR A 74 -7.121 -9.653 17.848 1.00 0.00 C ATOM 1223 O TYR A 74 -7.542 -8.974 18.792 1.00 0.00 O ATOM 1224 CB TYR A 74 -7.219 -8.795 15.383 1.00 0.00 C ATOM 1225 CG TYR A 74 -7.485 -9.195 13.915 1.00 0.00 C ATOM 1226 CD1 TYR A 74 -8.707 -8.903 13.289 1.00 0.00 C ATOM 1227 CD2 TYR A 74 -6.493 -9.853 13.186 1.00 0.00 C ATOM 1228 CE1 TYR A 74 -8.937 -9.315 11.976 1.00 0.00 C ATOM 1229 CE2 TYR A 74 -6.717 -10.255 11.875 1.00 0.00 C ATOM 1230 CZ TYR A 74 -7.951 -10.001 11.275 1.00 0.00 C ATOM 1231 OH TYR A 74 -8.198 -10.452 10.004 1.00 0.00 O ATOM 0 H TYR A 74 -9.494 -8.380 16.289 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.762 -10.755 16.171 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.581 -7.778 15.533 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.141 -8.777 15.545 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -9.470 -8.358 13.825 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.537 -10.053 13.648 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -9.884 -9.101 11.503 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -5.939 -10.762 11.323 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.741 -11.308 9.866 1.00 0.00 H new ATOM 1241 N LYS A 75 -6.041 -10.443 17.974 1.00 0.00 N ATOM 1242 CA LYS A 75 -5.447 -10.827 19.288 1.00 0.00 C ATOM 1243 C LYS A 75 -3.975 -10.349 19.470 1.00 0.00 C ATOM 1244 O LYS A 75 -3.724 -9.512 20.342 1.00 0.00 O ATOM 1245 CB LYS A 75 -5.616 -12.363 19.506 1.00 0.00 C ATOM 1246 CG LYS A 75 -7.055 -12.933 19.629 1.00 0.00 C ATOM 1247 CD LYS A 75 -7.794 -12.646 20.962 1.00 0.00 C ATOM 1248 CE LYS A 75 -8.633 -11.352 21.041 1.00 0.00 C ATOM 1249 NZ LYS A 75 -9.872 -11.445 20.222 1.00 0.00 N ATOM 0 H LYS A 75 -5.547 -10.839 17.174 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.996 -10.301 20.069 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -5.126 -12.873 18.677 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.073 -12.632 20.412 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.654 -12.531 18.812 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.009 -14.013 19.489 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.453 -13.489 21.171 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.052 -12.616 21.760 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.898 -11.154 22.080 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.033 -10.509 20.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.518 -10.671 20.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.628 -11.371 19.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.338 -12.358 20.399 1.00 0.00 H new ATOM 1263 N ASP A 76 -3.000 -10.881 18.707 1.00 0.00 N ATOM 1264 CA ASP A 76 -1.552 -10.695 19.018 1.00 0.00 C ATOM 1265 C ASP A 76 -1.033 -9.361 18.406 1.00 0.00 C ATOM 1266 O ASP A 76 -0.494 -9.321 17.294 1.00 0.00 O ATOM 1267 CB ASP A 76 -0.734 -11.907 18.506 1.00 0.00 C ATOM 1268 CG ASP A 76 -1.131 -13.284 19.026 1.00 0.00 C ATOM 1269 OD1 ASP A 76 -2.188 -13.797 18.595 1.00 0.00 O ATOM 1270 OD2 ASP A 76 -0.381 -13.865 19.835 1.00 0.00 O ATOM 0 H ASP A 76 -3.178 -11.441 17.874 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.426 -10.637 20.099 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.801 -11.924 17.418 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.313 -11.739 18.759 1.00 0.00 H new ATOM 1275 N ILE A 77 -1.257 -8.259 19.139 1.00 0.00 N ATOM 1276 CA ILE A 77 -1.100 -6.886 18.586 1.00 0.00 C ATOM 1277 C ILE A 77 0.393 -6.446 18.751 1.00 0.00 C ATOM 1278 O ILE A 77 0.826 -5.993 19.816 1.00 0.00 O ATOM 1279 CB ILE A 77 -2.161 -5.926 19.243 1.00 0.00 C ATOM 1280 CG1 ILE A 77 -3.648 -6.316 18.950 1.00 0.00 C ATOM 1281 CG2 ILE A 77 -1.976 -4.441 18.837 1.00 0.00 C ATOM 1282 CD1 ILE A 77 -4.641 -5.914 20.051 1.00 0.00 C ATOM 0 H ILE A 77 -1.548 -8.282 20.116 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.309 -6.848 17.517 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.968 -6.048 20.309 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.955 -5.850 18.014 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.705 -7.395 18.803 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.739 -3.833 19.324 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.988 -4.100 19.146 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.071 -4.345 17.755 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.646 -6.223 19.765 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -4.364 -6.401 20.986 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.618 -4.832 20.185 1.00 0.00 H new ATOM 1294 N ASN A 78 1.168 -6.579 17.666 1.00 0.00 N ATOM 1295 CA ASN A 78 2.604 -6.216 17.631 1.00 0.00 C ATOM 1296 C ASN A 78 2.752 -4.699 17.286 1.00 0.00 C ATOM 1297 O ASN A 78 2.638 -4.281 16.126 1.00 0.00 O ATOM 1298 CB ASN A 78 3.267 -7.195 16.624 1.00 0.00 C ATOM 1299 CG ASN A 78 4.795 -7.149 16.525 1.00 0.00 C ATOM 1300 OD1 ASN A 78 5.504 -6.511 17.296 1.00 0.00 O ATOM 1301 ND2 ASN A 78 5.368 -7.848 15.577 1.00 0.00 N ATOM 0 H ASN A 78 0.820 -6.943 16.779 1.00 0.00 H new ATOM 0 HA ASN A 78 3.111 -6.324 18.590 1.00 0.00 H new ATOM 0 HB2 ASN A 78 2.974 -8.210 16.893 1.00 0.00 H new ATOM 0 HB3 ASN A 78 2.856 -6.996 15.634 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.384 -7.854 15.491 1.00 0.00 H new ATOM 0 HD22 ASN A 78 4.798 -8.386 14.925 1.00 0.00 H new ATOM 1308 N VAL A 79 2.988 -3.881 18.328 1.00 0.00 N ATOM 1309 CA VAL A 79 3.112 -2.400 18.202 1.00 0.00 C ATOM 1310 C VAL A 79 4.566 -2.052 17.739 1.00 0.00 C ATOM 1311 O VAL A 79 5.522 -2.142 18.516 1.00 0.00 O ATOM 1312 CB VAL A 79 2.702 -1.704 19.551 1.00 0.00 C ATOM 1313 CG1 VAL A 79 2.947 -0.176 19.555 1.00 0.00 C ATOM 1314 CG2 VAL A 79 1.222 -1.930 19.945 1.00 0.00 C ATOM 0 H VAL A 79 3.099 -4.218 19.284 1.00 0.00 H new ATOM 0 HA VAL A 79 2.427 -2.016 17.446 1.00 0.00 H new ATOM 0 HB VAL A 79 3.353 -2.187 20.279 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.642 0.239 20.516 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.006 0.023 19.394 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.365 0.288 18.758 1.00 0.00 H new ATOM 0 HG21 VAL A 79 1.014 -1.420 20.886 1.00 0.00 H new ATOM 0 HG22 VAL A 79 0.573 -1.532 19.165 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.036 -2.998 20.062 1.00 0.00 H new ATOM 1324 N ARG A 80 4.718 -1.653 16.467 1.00 0.00 N ATOM 1325 CA ARG A 80 6.051 -1.476 15.829 1.00 0.00 C ATOM 1326 C ARG A 80 6.145 -0.039 15.231 1.00 0.00 C ATOM 1327 O ARG A 80 5.937 0.175 14.035 1.00 0.00 O ATOM 1328 CB ARG A 80 6.164 -2.685 14.855 1.00 0.00 C ATOM 1329 CG ARG A 80 7.408 -2.770 13.934 1.00 0.00 C ATOM 1330 CD ARG A 80 7.738 -4.183 13.392 1.00 0.00 C ATOM 1331 NE ARG A 80 6.562 -4.850 12.763 1.00 0.00 N ATOM 1332 CZ ARG A 80 6.468 -6.154 12.526 1.00 0.00 C ATOM 1333 NH1 ARG A 80 7.488 -6.971 12.470 1.00 0.00 N ATOM 1334 NH2 ARG A 80 5.289 -6.639 12.342 1.00 0.00 N ATOM 0 H ARG A 80 3.934 -1.443 15.849 1.00 0.00 H new ATOM 0 HA ARG A 80 6.918 -1.506 16.489 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.128 -3.597 15.451 1.00 0.00 H new ATOM 0 HB3 ARG A 80 5.279 -2.684 14.219 1.00 0.00 H new ATOM 0 HG2 ARG A 80 7.258 -2.100 13.087 1.00 0.00 H new ATOM 0 HG3 ARG A 80 8.273 -2.399 14.485 1.00 0.00 H new ATOM 0 HD2 ARG A 80 8.542 -4.108 12.660 1.00 0.00 H new ATOM 0 HD3 ARG A 80 8.108 -4.803 14.209 1.00 0.00 H new ATOM 0 HE ARG A 80 5.772 -4.263 12.495 1.00 0.00 H new ATOM 0 HH11 ARG A 80 8.434 -6.617 12.613 1.00 0.00 H new ATOM 0 HH12 ARG A 80 7.338 -7.962 12.283 1.00 0.00 H new ATOM 0 HH21 ARG A 80 4.474 -6.027 12.381 1.00 0.00 H new ATOM 0 HH22 ARG A 80 5.170 -7.635 12.157 1.00 0.00 H new ATOM 1348 N VAL A 81 6.441 0.964 16.082 1.00 0.00 N ATOM 1349 CA VAL A 81 6.374 2.404 15.682 1.00 0.00 C ATOM 1350 C VAL A 81 7.770 2.869 15.142 1.00 0.00 C ATOM 1351 O VAL A 81 8.731 3.011 15.905 1.00 0.00 O ATOM 1352 CB VAL A 81 5.794 3.311 16.826 1.00 0.00 C ATOM 1353 CG1 VAL A 81 5.644 4.789 16.386 1.00 0.00 C ATOM 1354 CG2 VAL A 81 4.401 2.875 17.350 1.00 0.00 C ATOM 0 H VAL A 81 6.729 0.815 17.049 1.00 0.00 H new ATOM 0 HA VAL A 81 5.662 2.515 14.864 1.00 0.00 H new ATOM 0 HB VAL A 81 6.532 3.199 17.621 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.240 5.375 17.211 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.619 5.185 16.103 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.967 4.848 15.533 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.079 3.557 18.137 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.681 2.898 16.532 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.463 1.863 17.750 1.00 0.00 H new ATOM 1364 N ASN A 82 7.867 3.139 13.826 1.00 0.00 N ATOM 1365 CA ASN A 82 9.111 3.669 13.192 1.00 0.00 C ATOM 1366 C ASN A 82 9.145 5.237 13.242 1.00 0.00 C ATOM 1367 O ASN A 82 8.840 5.922 12.261 1.00 0.00 O ATOM 1368 CB ASN A 82 9.185 3.008 11.782 1.00 0.00 C ATOM 1369 CG ASN A 82 10.400 3.391 10.927 1.00 0.00 C ATOM 1370 OD1 ASN A 82 11.544 3.236 11.341 1.00 0.00 O ATOM 1371 ND2 ASN A 82 10.220 3.876 9.718 1.00 0.00 N ATOM 0 H ASN A 82 7.099 3.001 13.169 1.00 0.00 H new ATOM 0 HA ASN A 82 10.023 3.406 13.727 1.00 0.00 H new ATOM 0 HB2 ASN A 82 9.181 1.925 11.909 1.00 0.00 H new ATOM 0 HB3 ASN A 82 8.281 3.268 11.232 1.00 0.00 H new ATOM 0 HD21 ASN A 82 11.025 4.117 9.140 1.00 0.00 H new ATOM 0 HD22 ASN A 82 9.275 4.011 9.358 1.00 0.00 H new ATOM 1378 N GLY A 83 9.492 5.803 14.417 1.00 0.00 N ATOM 1379 CA GLY A 83 9.423 7.274 14.658 1.00 0.00 C ATOM 1380 C GLY A 83 7.987 7.812 14.823 1.00 0.00 C ATOM 1381 O GLY A 83 7.400 7.704 15.901 1.00 0.00 O ATOM 0 H GLY A 83 9.824 5.269 15.220 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.996 7.513 15.554 1.00 0.00 H new ATOM 0 HA3 GLY A 83 9.901 7.792 13.827 1.00 0.00 H new ATOM 1385 N THR A 84 7.424 8.343 13.730 1.00 0.00 N ATOM 1386 CA THR A 84 5.947 8.583 13.611 1.00 0.00 C ATOM 1387 C THR A 84 5.152 7.482 12.811 1.00 0.00 C ATOM 1388 O THR A 84 3.918 7.532 12.806 1.00 0.00 O ATOM 1389 CB THR A 84 5.637 10.010 13.057 1.00 0.00 C ATOM 1390 OG1 THR A 84 5.978 10.116 11.676 1.00 0.00 O ATOM 1391 CG2 THR A 84 6.294 11.186 13.798 1.00 0.00 C ATOM 0 H THR A 84 7.955 8.621 12.905 1.00 0.00 H new ATOM 0 HA THR A 84 5.580 8.511 14.635 1.00 0.00 H new ATOM 0 HB THR A 84 4.563 10.102 13.220 1.00 0.00 H new ATOM 0 HG1 THR A 84 5.196 10.418 11.168 1.00 0.00 H new ATOM 0 HG21 THR A 84 6.005 12.123 13.322 1.00 0.00 H new ATOM 0 HG22 THR A 84 5.965 11.190 14.837 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.378 11.079 13.761 1.00 0.00 H new ATOM 1399 N GLU A 85 5.803 6.492 12.156 1.00 0.00 N ATOM 1400 CA GLU A 85 5.120 5.422 11.378 1.00 0.00 C ATOM 1401 C GLU A 85 4.525 4.313 12.284 1.00 0.00 C ATOM 1402 O GLU A 85 5.220 3.400 12.739 1.00 0.00 O ATOM 1403 CB GLU A 85 6.088 4.841 10.309 1.00 0.00 C ATOM 1404 CG GLU A 85 5.961 5.556 8.957 1.00 0.00 C ATOM 1405 CD GLU A 85 6.924 5.242 7.841 1.00 0.00 C ATOM 1406 OE1 GLU A 85 7.854 4.418 7.994 1.00 0.00 O ATOM 1407 OE2 GLU A 85 6.720 5.873 6.780 1.00 0.00 O ATOM 0 H GLU A 85 6.820 6.409 12.150 1.00 0.00 H new ATOM 0 HA GLU A 85 4.270 5.873 10.867 1.00 0.00 H new ATOM 0 HB2 GLU A 85 7.114 4.926 10.667 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.883 3.779 10.176 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.956 5.362 8.581 1.00 0.00 H new ATOM 0 HG3 GLU A 85 6.028 6.627 9.150 1.00 0.00 H new ATOM 1414 N VAL A 86 3.209 4.395 12.518 1.00 0.00 N ATOM 1415 CA VAL A 86 2.492 3.504 13.466 1.00 0.00 C ATOM 1416 C VAL A 86 2.127 2.176 12.721 1.00 0.00 C ATOM 1417 O VAL A 86 1.093 2.100 12.047 1.00 0.00 O ATOM 1418 CB VAL A 86 1.274 4.288 14.076 1.00 0.00 C ATOM 1419 CG1 VAL A 86 0.469 3.447 15.081 1.00 0.00 C ATOM 1420 CG2 VAL A 86 1.638 5.594 14.824 1.00 0.00 C ATOM 0 H VAL A 86 2.604 5.077 12.061 1.00 0.00 H new ATOM 0 HA VAL A 86 3.108 3.211 14.316 1.00 0.00 H new ATOM 0 HB VAL A 86 0.695 4.529 13.185 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.359 4.039 15.470 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.078 2.560 14.583 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.117 3.145 15.904 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.730 6.059 15.207 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.305 5.364 15.654 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.135 6.280 14.138 1.00 0.00 H new ATOM 1430 N LYS A 87 3.001 1.151 12.821 1.00 0.00 N ATOM 1431 CA LYS A 87 2.824 -0.139 12.101 1.00 0.00 C ATOM 1432 C LYS A 87 2.257 -1.217 13.069 1.00 0.00 C ATOM 1433 O LYS A 87 2.976 -1.766 13.911 1.00 0.00 O ATOM 1434 CB LYS A 87 4.162 -0.523 11.413 1.00 0.00 C ATOM 1435 CG LYS A 87 4.039 -1.607 10.315 1.00 0.00 C ATOM 1436 CD LYS A 87 5.279 -1.634 9.394 1.00 0.00 C ATOM 1437 CE LYS A 87 5.097 -2.564 8.181 1.00 0.00 C ATOM 1438 NZ LYS A 87 6.263 -2.431 7.265 1.00 0.00 N ATOM 0 H LYS A 87 3.843 1.188 13.396 1.00 0.00 H new ATOM 0 HA LYS A 87 2.084 -0.051 11.305 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.598 0.373 10.972 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.858 -0.874 12.174 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.911 -2.584 10.781 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.147 -1.420 9.718 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.489 -0.623 9.044 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.147 -1.958 9.969 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.001 -3.597 8.514 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.177 -2.312 7.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 6.136 -3.061 6.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.336 -1.447 6.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.133 -2.692 7.771 1.00 0.00 H new ATOM 1452 N ILE A 88 0.948 -1.490 12.960 1.00 0.00 N ATOM 1453 CA ILE A 88 0.215 -2.346 13.941 1.00 0.00 C ATOM 1454 C ILE A 88 -0.072 -3.712 13.251 1.00 0.00 C ATOM 1455 O ILE A 88 -0.951 -3.820 12.387 1.00 0.00 O ATOM 1456 CB ILE A 88 -1.061 -1.619 14.494 1.00 0.00 C ATOM 1457 CG1 ILE A 88 -0.822 -0.186 15.049 1.00 0.00 C ATOM 1458 CG2 ILE A 88 -1.798 -2.445 15.575 1.00 0.00 C ATOM 1459 CD1 ILE A 88 0.239 -0.052 16.157 1.00 0.00 C ATOM 0 H ILE A 88 0.362 -1.135 12.204 1.00 0.00 H new ATOM 0 HA ILE A 88 0.818 -2.535 14.829 1.00 0.00 H new ATOM 0 HB ILE A 88 -1.682 -1.523 13.603 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.533 0.459 14.219 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -1.768 0.194 15.434 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.672 -1.894 15.921 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.115 -3.398 15.152 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.127 -2.626 16.415 1.00 0.00 H new ATOM 0 HD11 ILE A 88 0.316 0.991 16.463 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.051 -0.661 17.014 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.204 -0.392 15.780 1.00 0.00 H new ATOM 1471 N GLU A 89 0.707 -4.736 13.632 1.00 0.00 N ATOM 1472 CA GLU A 89 0.635 -6.092 13.027 1.00 0.00 C ATOM 1473 C GLU A 89 -0.130 -7.070 13.968 1.00 0.00 C ATOM 1474 O GLU A 89 0.257 -7.277 15.120 1.00 0.00 O ATOM 1475 CB GLU A 89 2.097 -6.494 12.703 1.00 0.00 C ATOM 1476 CG GLU A 89 2.314 -7.933 12.151 1.00 0.00 C ATOM 1477 CD GLU A 89 2.964 -8.899 13.127 1.00 0.00 C ATOM 1478 OE1 GLU A 89 2.239 -9.560 13.887 1.00 0.00 O ATOM 1479 OE2 GLU A 89 4.211 -9.000 13.150 1.00 0.00 O ATOM 0 H GLU A 89 1.408 -4.656 14.368 1.00 0.00 H new ATOM 0 HA GLU A 89 0.058 -6.121 12.103 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.492 -5.786 11.975 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.691 -6.383 13.610 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.349 -8.340 11.847 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.931 -7.874 11.255 1.00 0.00 H new ATOM 1486 N VAL A 90 -1.247 -7.635 13.483 1.00 0.00 N ATOM 1487 CA VAL A 90 -2.245 -8.311 14.365 1.00 0.00 C ATOM 1488 C VAL A 90 -2.594 -9.751 13.857 1.00 0.00 C ATOM 1489 O VAL A 90 -2.777 -9.959 12.654 1.00 0.00 O ATOM 1490 CB VAL A 90 -3.516 -7.414 14.565 1.00 0.00 C ATOM 1491 CG1 VAL A 90 -3.244 -6.022 15.171 1.00 0.00 C ATOM 1492 CG2 VAL A 90 -4.380 -7.181 13.311 1.00 0.00 C ATOM 0 H VAL A 90 -1.492 -7.644 12.493 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.790 -8.442 15.347 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.065 -8.035 15.272 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.184 -5.478 15.270 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -2.786 -6.136 16.153 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.570 -5.466 14.519 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.230 -6.548 13.567 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.782 -6.692 12.543 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -4.741 -8.138 12.935 1.00 0.00 H new ATOM 1502 N ARG A 91 -2.736 -10.737 14.765 1.00 0.00 N ATOM 1503 CA ARG A 91 -3.184 -12.128 14.398 1.00 0.00 C ATOM 1504 C ARG A 91 -4.676 -12.406 14.775 1.00 0.00 C ATOM 1505 O ARG A 91 -5.223 -11.820 15.713 1.00 0.00 O ATOM 1506 CB ARG A 91 -2.255 -13.192 15.056 1.00 0.00 C ATOM 1507 CG ARG A 91 -0.818 -13.240 14.488 1.00 0.00 C ATOM 1508 CD ARG A 91 0.204 -13.976 15.394 1.00 0.00 C ATOM 1509 NE ARG A 91 1.620 -13.645 15.048 1.00 0.00 N ATOM 1510 CZ ARG A 91 2.160 -12.421 15.113 1.00 0.00 C ATOM 1511 NH1 ARG A 91 1.609 -11.411 15.738 1.00 0.00 N ATOM 1512 NH2 ARG A 91 3.272 -12.189 14.481 1.00 0.00 N ATOM 0 H ARG A 91 -2.551 -10.613 15.760 1.00 0.00 H new ATOM 0 HA ARG A 91 -3.112 -12.203 13.313 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.201 -12.994 16.126 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.711 -14.175 14.936 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -0.841 -13.730 13.515 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.471 -12.220 14.323 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.017 -13.713 16.435 1.00 0.00 H new ATOM 0 HD3 ARG A 91 0.054 -15.052 15.305 1.00 0.00 H new ATOM 0 HE ARG A 91 2.221 -14.409 14.739 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.715 -11.532 16.214 1.00 0.00 H new ATOM 0 HH12 ARG A 91 2.074 -10.503 15.749 1.00 0.00 H new ATOM 0 HH21 ARG A 91 3.720 -12.933 13.946 1.00 0.00 H new ATOM 0 HH22 ARG A 91 3.697 -11.263 14.520 1.00 0.00 H new ATOM 1526 N VAL A 92 -5.332 -13.350 14.070 1.00 0.00 N ATOM 1527 CA VAL A 92 -6.715 -13.814 14.413 1.00 0.00 C ATOM 1528 C VAL A 92 -6.693 -14.620 15.743 1.00 0.00 C ATOM 1529 O VAL A 92 -6.303 -15.788 15.803 1.00 0.00 O ATOM 1530 CB VAL A 92 -7.366 -14.590 13.209 1.00 0.00 C ATOM 1531 CG1 VAL A 92 -8.743 -15.228 13.520 1.00 0.00 C ATOM 1532 CG2 VAL A 92 -7.580 -13.713 11.954 1.00 0.00 C ATOM 0 H VAL A 92 -4.934 -13.815 13.254 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.359 -12.951 14.584 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.628 -15.370 13.024 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -9.115 -15.741 12.633 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -8.637 -15.943 14.335 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -9.448 -14.449 13.811 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.032 -14.313 11.164 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.239 -12.880 12.200 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.620 -13.327 11.612 1.00 0.00 H new