USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 456 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 23 ASN :FLIP amide:sc= 0.821 F(o=-0.36,f=1.7) USER MOD Set 1.2: A 25 THR OG1 : rot -66:sc= 0.905 USER MOD Set 2.1: A 3 THR OG1 : rot 180:sc= -0.251 USER MOD Set 2.2: A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 139:sc= 0.0735 (180deg=-0.303) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -1.03! C(o=-1!,f=-3.5!) USER MOD Single : A 14 SER OG : rot 180:sc= -0.263 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0433 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00481 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 77:sc= 0.813 USER MOD Single : A 20 HIS : no HD1:sc= -0.559 X(o=-0.56,f=-0.11) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 79:sc= 0.717 USER MOD Single : A 34 ASN : amide:sc=-0.00294 X(o=-0.0029,f=0.081) USER MOD Single : A 41 LYS NZ :NH3+ -165:sc= 1.05 (180deg=0.791) USER MOD Single : A 44 HIS : no HE2:sc= 0.0706 K(o=0.071,f=-3.2!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 33:sc= 1.03 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0888 USER MOD Single : A 55 LYS NZ :NH3+ -135:sc= 0.933 (180deg=-0.111) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.521 15.350 -4.298 1.00 0.00 N ATOM 2 CA MET A 1 0.992 16.566 -4.937 1.00 0.00 C ATOM 3 C MET A 1 1.128 17.757 -3.993 1.00 0.00 C ATOM 4 O MET A 1 1.317 17.570 -2.790 1.00 0.00 O ATOM 5 CB MET A 1 -0.474 16.366 -5.353 1.00 0.00 C ATOM 6 CG MET A 1 -1.363 16.158 -4.120 1.00 0.00 C ATOM 7 SD MET A 1 -3.102 15.850 -4.521 1.00 0.00 S ATOM 8 CE MET A 1 -3.754 15.667 -2.842 1.00 0.00 C ATOM 0 H1 MET A 1 0.896 14.546 -4.510 1.00 0.00 H new ATOM 0 H2 MET A 1 2.475 15.153 -4.663 1.00 0.00 H new ATOM 0 H3 MET A 1 1.567 15.491 -3.269 1.00 0.00 H new ATOM 0 HA MET A 1 1.573 16.768 -5.837 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.820 17.234 -5.915 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.555 15.504 -6.016 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.978 15.317 -3.543 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.297 17.039 -3.482 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.825 15.470 -2.887 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.253 14.836 -2.346 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.577 16.585 -2.281 1.00 0.00 H new ATOM 20 N ALA A 2 1.033 18.972 -4.547 1.00 0.00 N ATOM 21 CA ALA A 2 1.142 20.207 -3.779 1.00 0.00 C ATOM 22 C ALA A 2 2.511 20.298 -3.092 1.00 0.00 C ATOM 23 O ALA A 2 3.384 19.457 -3.309 1.00 0.00 O ATOM 24 CB ALA A 2 0.008 20.272 -2.748 1.00 0.00 C ATOM 0 H ALA A 2 0.878 19.121 -5.544 1.00 0.00 H new ATOM 0 HA ALA A 2 1.053 21.057 -4.456 1.00 0.00 H new ATOM 0 HB1 ALA A 2 0.090 21.195 -2.174 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -0.953 20.248 -3.262 1.00 0.00 H new ATOM 0 HB3 ALA A 2 0.080 19.418 -2.074 1.00 0.00 H new ATOM 30 N THR A 3 2.675 21.333 -2.255 1.00 0.00 N ATOM 31 CA THR A 3 3.885 21.566 -1.459 1.00 0.00 C ATOM 32 C THR A 3 4.914 22.311 -2.309 1.00 0.00 C ATOM 33 O THR A 3 4.628 22.674 -3.452 1.00 0.00 O ATOM 34 CB THR A 3 4.449 20.231 -0.906 1.00 0.00 C ATOM 35 OG1 THR A 3 3.383 19.378 -0.535 1.00 0.00 O ATOM 36 CG2 THR A 3 5.318 20.484 0.331 1.00 0.00 C ATOM 0 H THR A 3 1.957 22.043 -2.111 1.00 0.00 H new ATOM 0 HA THR A 3 3.639 22.185 -0.596 1.00 0.00 H new ATOM 0 HB THR A 3 5.052 19.768 -1.687 1.00 0.00 H new ATOM 0 HG1 THR A 3 3.744 18.535 -0.188 1.00 0.00 H new ATOM 0 HG21 THR A 3 5.704 19.536 0.704 1.00 0.00 H new ATOM 0 HG22 THR A 3 6.150 21.135 0.064 1.00 0.00 H new ATOM 0 HG23 THR A 3 4.718 20.961 1.106 1.00 0.00 H new ATOM 44 N ILE A 4 6.110 22.544 -1.747 1.00 0.00 N ATOM 45 CA ILE A 4 7.186 23.235 -2.450 1.00 0.00 C ATOM 46 C ILE A 4 7.385 22.625 -3.839 1.00 0.00 C ATOM 47 O ILE A 4 7.798 23.314 -4.764 1.00 0.00 O ATOM 48 CB ILE A 4 8.476 23.150 -1.616 1.00 0.00 C ATOM 49 CG1 ILE A 4 9.534 24.094 -2.211 1.00 0.00 C ATOM 50 CG2 ILE A 4 9.011 21.711 -1.602 1.00 0.00 C ATOM 51 CD1 ILE A 4 10.731 24.207 -1.265 1.00 0.00 C ATOM 0 H ILE A 4 6.351 22.258 -0.798 1.00 0.00 H new ATOM 0 HA ILE A 4 6.924 24.285 -2.581 1.00 0.00 H new ATOM 0 HB ILE A 4 8.255 23.449 -0.591 1.00 0.00 H new ATOM 0 HG12 ILE A 4 9.862 23.720 -3.181 1.00 0.00 H new ATOM 0 HG13 ILE A 4 9.100 25.079 -2.379 1.00 0.00 H new ATOM 0 HG21 ILE A 4 9.924 21.668 -1.008 1.00 0.00 H new ATOM 0 HG22 ILE A 4 8.263 21.049 -1.166 1.00 0.00 H new ATOM 0 HG23 ILE A 4 9.227 21.393 -2.622 1.00 0.00 H new ATOM 0 HD11 ILE A 4 11.474 24.878 -1.697 1.00 0.00 H new ATOM 0 HD12 ILE A 4 10.400 24.602 -0.305 1.00 0.00 H new ATOM 0 HD13 ILE A 4 11.174 23.222 -1.119 1.00 0.00 H new ATOM 63 N LYS A 5 7.079 21.331 -3.974 1.00 0.00 N ATOM 64 CA LYS A 5 7.198 20.627 -5.232 1.00 0.00 C ATOM 65 C LYS A 5 6.364 21.316 -6.311 1.00 0.00 C ATOM 66 O LYS A 5 6.901 21.744 -7.333 1.00 0.00 O ATOM 67 CB LYS A 5 6.726 19.188 -5.036 1.00 0.00 C ATOM 68 CG LYS A 5 7.748 18.422 -4.188 1.00 0.00 C ATOM 69 CD LYS A 5 7.414 16.926 -4.182 1.00 0.00 C ATOM 70 CE LYS A 5 7.899 16.275 -5.485 1.00 0.00 C ATOM 71 NZ LYS A 5 7.721 14.813 -5.443 1.00 0.00 N ATOM 0 H LYS A 5 6.742 20.751 -3.206 1.00 0.00 H new ATOM 0 HA LYS A 5 8.239 20.632 -5.556 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.752 19.178 -4.547 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.602 18.700 -6.003 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.751 18.577 -4.586 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.747 18.807 -3.168 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.886 16.443 -3.327 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.339 16.785 -4.074 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.347 16.688 -6.329 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.951 16.512 -5.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.056 14.397 -6.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.267 14.419 -4.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.714 14.590 -5.314 1.00 0.00 H new ATOM 85 N ASP A 6 5.048 21.409 -6.091 1.00 0.00 N ATOM 86 CA ASP A 6 4.152 22.002 -7.076 1.00 0.00 C ATOM 87 C ASP A 6 4.386 23.508 -7.161 1.00 0.00 C ATOM 88 O ASP A 6 4.416 24.067 -8.254 1.00 0.00 O ATOM 89 CB ASP A 6 2.701 21.706 -6.692 1.00 0.00 C ATOM 90 CG ASP A 6 2.360 20.226 -6.881 1.00 0.00 C ATOM 91 OD1 ASP A 6 3.284 19.396 -6.728 1.00 0.00 O ATOM 92 OD2 ASP A 6 1.176 19.951 -7.167 1.00 0.00 O ATOM 0 H ASP A 6 4.586 21.082 -5.242 1.00 0.00 H new ATOM 0 HA ASP A 6 4.355 21.568 -8.055 1.00 0.00 H new ATOM 0 HB2 ASP A 6 2.534 21.989 -5.653 1.00 0.00 H new ATOM 0 HB3 ASP A 6 2.032 22.315 -7.300 1.00 0.00 H new ATOM 97 N VAL A 7 4.548 24.159 -6.006 1.00 0.00 N ATOM 98 CA VAL A 7 4.766 25.599 -5.947 1.00 0.00 C ATOM 99 C VAL A 7 5.966 25.987 -6.812 1.00 0.00 C ATOM 100 O VAL A 7 5.886 26.933 -7.595 1.00 0.00 O ATOM 101 CB VAL A 7 4.996 26.010 -4.484 1.00 0.00 C ATOM 102 CG1 VAL A 7 5.488 27.458 -4.413 1.00 0.00 C ATOM 103 CG2 VAL A 7 3.685 25.886 -3.704 1.00 0.00 C ATOM 0 H VAL A 7 4.531 23.703 -5.094 1.00 0.00 H new ATOM 0 HA VAL A 7 3.890 26.120 -6.333 1.00 0.00 H new ATOM 0 HB VAL A 7 5.749 25.353 -4.049 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.647 27.737 -3.372 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.426 27.551 -4.961 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.742 28.118 -4.856 1.00 0.00 H new ATOM 0 HG21 VAL A 7 3.850 26.178 -2.667 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.934 26.538 -4.149 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.337 24.854 -3.740 1.00 0.00 H new ATOM 113 N ALA A 8 7.076 25.263 -6.662 1.00 0.00 N ATOM 114 CA ALA A 8 8.296 25.548 -7.399 1.00 0.00 C ATOM 115 C ALA A 8 8.048 25.491 -8.903 1.00 0.00 C ATOM 116 O ALA A 8 8.341 26.447 -9.610 1.00 0.00 O ATOM 117 CB ALA A 8 9.374 24.543 -7.000 1.00 0.00 C ATOM 0 H ALA A 8 7.149 24.467 -6.028 1.00 0.00 H new ATOM 0 HA ALA A 8 8.630 26.556 -7.153 1.00 0.00 H new ATOM 0 HB1 ALA A 8 10.290 24.754 -7.551 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.568 24.623 -5.930 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.035 23.534 -7.233 1.00 0.00 H new ATOM 123 N LYS A 9 7.515 24.367 -9.390 1.00 0.00 N ATOM 124 CA LYS A 9 7.276 24.185 -10.818 1.00 0.00 C ATOM 125 C LYS A 9 6.208 25.160 -11.322 1.00 0.00 C ATOM 126 O LYS A 9 6.214 25.533 -12.491 1.00 0.00 O ATOM 127 CB LYS A 9 6.860 22.733 -11.082 1.00 0.00 C ATOM 128 CG LYS A 9 7.552 22.225 -12.347 1.00 0.00 C ATOM 129 CD LYS A 9 7.033 20.829 -12.695 1.00 0.00 C ATOM 130 CE LYS A 9 7.744 20.315 -13.950 1.00 0.00 C ATOM 131 NZ LYS A 9 7.278 18.965 -14.311 1.00 0.00 N ATOM 0 H LYS A 9 7.242 23.571 -8.813 1.00 0.00 H new ATOM 0 HA LYS A 9 8.196 24.397 -11.363 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.129 22.106 -10.231 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.778 22.669 -11.196 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.365 22.909 -13.175 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.631 22.195 -12.195 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.206 20.148 -11.862 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.956 20.861 -12.862 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.563 20.999 -14.779 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.821 20.298 -13.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.777 18.642 -15.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.473 18.309 -13.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.255 18.989 -14.496 1.00 0.00 H new ATOM 145 N ARG A 10 5.295 25.582 -10.444 1.00 0.00 N ATOM 146 CA ARG A 10 4.268 26.545 -10.810 1.00 0.00 C ATOM 147 C ARG A 10 4.917 27.921 -10.980 1.00 0.00 C ATOM 148 O ARG A 10 4.516 28.698 -11.845 1.00 0.00 O ATOM 149 CB ARG A 10 3.182 26.569 -9.718 1.00 0.00 C ATOM 150 CG ARG A 10 2.186 27.712 -9.974 1.00 0.00 C ATOM 151 CD ARG A 10 2.561 28.936 -9.124 1.00 0.00 C ATOM 152 NE ARG A 10 1.908 30.153 -9.630 1.00 0.00 N ATOM 153 CZ ARG A 10 0.792 30.681 -9.089 1.00 0.00 C ATOM 154 NH1 ARG A 10 0.082 29.997 -8.185 1.00 0.00 N ATOM 155 NH2 ARG A 10 0.389 31.900 -9.457 1.00 0.00 N ATOM 0 H ARG A 10 5.251 25.268 -9.475 1.00 0.00 H new ATOM 0 HA ARG A 10 3.797 26.265 -11.752 1.00 0.00 H new ATOM 0 HB2 ARG A 10 2.654 25.616 -9.701 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.645 26.694 -8.739 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.189 27.978 -11.031 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.175 27.386 -9.730 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.268 28.766 -8.088 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.643 29.070 -9.132 1.00 0.00 H new ATOM 0 HE ARG A 10 2.323 30.623 -10.435 1.00 0.00 H new ATOM 0 HH11 ARG A 10 0.383 29.066 -7.898 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -0.761 30.407 -7.782 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.925 32.428 -10.145 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.455 32.303 -9.050 1.00 0.00 H new ATOM 169 N ALA A 11 5.918 28.218 -10.141 1.00 0.00 N ATOM 170 CA ALA A 11 6.600 29.499 -10.168 1.00 0.00 C ATOM 171 C ALA A 11 7.609 29.566 -11.315 1.00 0.00 C ATOM 172 O ALA A 11 7.718 30.598 -11.973 1.00 0.00 O ATOM 173 CB ALA A 11 7.300 29.718 -8.827 1.00 0.00 C ATOM 0 H ALA A 11 6.269 27.575 -9.432 1.00 0.00 H new ATOM 0 HA ALA A 11 5.866 30.287 -10.333 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.815 30.678 -8.838 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.561 29.712 -8.026 1.00 0.00 H new ATOM 0 HB3 ALA A 11 8.023 28.920 -8.660 1.00 0.00 H new ATOM 179 N ASN A 12 8.362 28.477 -11.550 1.00 0.00 N ATOM 180 CA ASN A 12 9.384 28.465 -12.577 1.00 0.00 C ATOM 181 C ASN A 12 9.650 27.035 -13.061 1.00 0.00 C ATOM 182 O ASN A 12 8.751 26.206 -13.092 1.00 0.00 O ATOM 183 CB ASN A 12 10.659 29.108 -12.008 1.00 0.00 C ATOM 184 CG ASN A 12 11.423 28.149 -11.095 1.00 0.00 C ATOM 185 OD1 ASN A 12 12.554 27.776 -11.399 1.00 0.00 O ATOM 186 ND2 ASN A 12 10.811 27.747 -9.984 1.00 0.00 N ATOM 0 H ASN A 12 8.272 27.601 -11.036 1.00 0.00 H new ATOM 0 HA ASN A 12 9.047 29.038 -13.441 1.00 0.00 H new ATOM 0 HB2 ASN A 12 11.305 29.420 -12.828 1.00 0.00 H new ATOM 0 HB3 ASN A 12 10.395 30.007 -11.451 1.00 0.00 H new ATOM 0 HD21 ASN A 12 11.281 27.105 -9.347 1.00 0.00 H new ATOM 0 HD22 ASN A 12 9.871 28.081 -9.770 1.00 0.00 H new ATOM 193 N VAL A 13 10.898 26.765 -13.443 1.00 0.00 N ATOM 194 CA VAL A 13 11.306 25.470 -13.949 1.00 0.00 C ATOM 195 C VAL A 13 11.330 24.441 -12.818 1.00 0.00 C ATOM 196 O VAL A 13 10.705 23.388 -12.936 1.00 0.00 O ATOM 197 CB VAL A 13 12.692 25.599 -14.601 1.00 0.00 C ATOM 198 CG1 VAL A 13 13.125 24.246 -15.175 1.00 0.00 C ATOM 199 CG2 VAL A 13 12.640 26.633 -15.730 1.00 0.00 C ATOM 0 H VAL A 13 11.654 27.449 -13.407 1.00 0.00 H new ATOM 0 HA VAL A 13 10.591 25.127 -14.697 1.00 0.00 H new ATOM 0 HB VAL A 13 13.409 25.920 -13.846 1.00 0.00 H new ATOM 0 HG11 VAL A 13 14.108 24.344 -15.636 1.00 0.00 H new ATOM 0 HG12 VAL A 13 13.172 23.509 -14.373 1.00 0.00 H new ATOM 0 HG13 VAL A 13 12.404 23.921 -15.925 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.625 26.721 -16.189 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.917 26.316 -16.481 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.341 27.600 -15.325 1.00 0.00 H new ATOM 209 N SER A 14 12.062 24.732 -11.727 1.00 0.00 N ATOM 210 CA SER A 14 12.183 23.790 -10.617 1.00 0.00 C ATOM 211 C SER A 14 12.514 24.523 -9.316 1.00 0.00 C ATOM 212 O SER A 14 12.628 25.746 -9.290 1.00 0.00 O ATOM 213 CB SER A 14 13.279 22.764 -10.940 1.00 0.00 C ATOM 214 OG SER A 14 12.967 22.082 -12.136 1.00 0.00 O ATOM 0 H SER A 14 12.572 25.606 -11.598 1.00 0.00 H new ATOM 0 HA SER A 14 11.230 23.277 -10.483 1.00 0.00 H new ATOM 0 HB2 SER A 14 14.241 23.267 -11.039 1.00 0.00 H new ATOM 0 HB3 SER A 14 13.375 22.052 -10.120 1.00 0.00 H new ATOM 0 HG SER A 14 13.672 21.431 -12.335 1.00 0.00 H new ATOM 220 N THR A 15 12.668 23.750 -8.231 1.00 0.00 N ATOM 221 CA THR A 15 12.985 24.287 -6.913 1.00 0.00 C ATOM 222 C THR A 15 14.396 24.897 -6.887 1.00 0.00 C ATOM 223 O THR A 15 14.808 25.452 -5.874 1.00 0.00 O ATOM 224 CB THR A 15 12.862 23.155 -5.880 1.00 0.00 C ATOM 225 OG1 THR A 15 11.782 22.316 -6.234 1.00 0.00 O ATOM 226 CG2 THR A 15 12.611 23.738 -4.485 1.00 0.00 C ATOM 0 H THR A 15 12.575 22.734 -8.250 1.00 0.00 H new ATOM 0 HA THR A 15 12.285 25.086 -6.670 1.00 0.00 H new ATOM 0 HB THR A 15 13.790 22.583 -5.867 1.00 0.00 H new ATOM 0 HG1 THR A 15 11.702 21.592 -5.578 1.00 0.00 H new ATOM 0 HG21 THR A 15 12.526 22.927 -3.762 1.00 0.00 H new ATOM 0 HG22 THR A 15 13.442 24.386 -4.207 1.00 0.00 H new ATOM 0 HG23 THR A 15 11.687 24.316 -4.493 1.00 0.00 H new ATOM 234 N THR A 16 15.136 24.798 -7.998 1.00 0.00 N ATOM 235 CA THR A 16 16.472 25.355 -8.086 1.00 0.00 C ATOM 236 C THR A 16 16.426 26.857 -7.799 1.00 0.00 C ATOM 237 O THR A 16 17.112 27.338 -6.903 1.00 0.00 O ATOM 238 CB THR A 16 17.040 25.086 -9.482 1.00 0.00 C ATOM 239 OG1 THR A 16 16.071 25.413 -10.457 1.00 0.00 O ATOM 240 CG2 THR A 16 17.409 23.607 -9.613 1.00 0.00 C ATOM 0 H THR A 16 14.820 24.332 -8.849 1.00 0.00 H new ATOM 0 HA THR A 16 17.119 24.884 -7.346 1.00 0.00 H new ATOM 0 HB THR A 16 17.930 25.697 -9.631 1.00 0.00 H new ATOM 0 HG1 THR A 16 16.435 25.242 -11.351 1.00 0.00 H new ATOM 0 HG21 THR A 16 17.813 23.420 -10.608 1.00 0.00 H new ATOM 0 HG22 THR A 16 18.158 23.351 -8.863 1.00 0.00 H new ATOM 0 HG23 THR A 16 16.520 22.995 -9.461 1.00 0.00 H new ATOM 248 N THR A 17 15.609 27.595 -8.563 1.00 0.00 N ATOM 249 CA THR A 17 15.491 29.036 -8.396 1.00 0.00 C ATOM 250 C THR A 17 14.999 29.369 -6.979 1.00 0.00 C ATOM 251 O THR A 17 15.394 30.384 -6.409 1.00 0.00 O ATOM 252 CB THR A 17 14.563 29.611 -9.487 1.00 0.00 C ATOM 253 OG1 THR A 17 15.097 30.830 -9.957 1.00 0.00 O ATOM 254 CG2 THR A 17 13.152 29.861 -8.941 1.00 0.00 C ATOM 0 H THR A 17 15.022 27.209 -9.303 1.00 0.00 H new ATOM 0 HA THR A 17 16.469 29.502 -8.513 1.00 0.00 H new ATOM 0 HB THR A 17 14.497 28.885 -10.297 1.00 0.00 H new ATOM 0 HG1 THR A 17 14.511 31.198 -10.651 1.00 0.00 H new ATOM 0 HG21 THR A 17 12.522 30.266 -9.733 1.00 0.00 H new ATOM 0 HG22 THR A 17 12.728 28.922 -8.584 1.00 0.00 H new ATOM 0 HG23 THR A 17 13.202 30.573 -8.117 1.00 0.00 H new ATOM 262 N VAL A 18 14.142 28.511 -6.407 1.00 0.00 N ATOM 263 CA VAL A 18 13.629 28.726 -5.063 1.00 0.00 C ATOM 264 C VAL A 18 14.789 28.649 -4.071 1.00 0.00 C ATOM 265 O VAL A 18 14.924 29.506 -3.201 1.00 0.00 O ATOM 266 CB VAL A 18 12.546 27.683 -4.742 1.00 0.00 C ATOM 267 CG1 VAL A 18 11.997 27.923 -3.333 1.00 0.00 C ATOM 268 CG2 VAL A 18 11.401 27.793 -5.756 1.00 0.00 C ATOM 0 H VAL A 18 13.795 27.666 -6.860 1.00 0.00 H new ATOM 0 HA VAL A 18 13.171 29.712 -4.989 1.00 0.00 H new ATOM 0 HB VAL A 18 12.986 26.687 -4.797 1.00 0.00 H new ATOM 0 HG11 VAL A 18 11.230 27.181 -3.110 1.00 0.00 H new ATOM 0 HG12 VAL A 18 12.806 27.837 -2.608 1.00 0.00 H new ATOM 0 HG13 VAL A 18 11.564 28.922 -3.277 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.637 27.052 -5.524 1.00 0.00 H new ATOM 0 HG22 VAL A 18 10.966 28.791 -5.706 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.786 27.615 -6.760 1.00 0.00 H new ATOM 278 N SER A 19 15.634 27.620 -4.211 1.00 0.00 N ATOM 279 CA SER A 19 16.792 27.445 -3.351 1.00 0.00 C ATOM 280 C SER A 19 17.716 28.654 -3.487 1.00 0.00 C ATOM 281 O SER A 19 18.224 29.165 -2.489 1.00 0.00 O ATOM 282 CB SER A 19 17.526 26.156 -3.736 1.00 0.00 C ATOM 283 OG SER A 19 16.624 25.069 -3.704 1.00 0.00 O ATOM 0 H SER A 19 15.528 26.895 -4.921 1.00 0.00 H new ATOM 0 HA SER A 19 16.472 27.366 -2.312 1.00 0.00 H new ATOM 0 HB2 SER A 19 17.957 26.255 -4.732 1.00 0.00 H new ATOM 0 HB3 SER A 19 18.352 25.977 -3.048 1.00 0.00 H new ATOM 0 HG SER A 19 16.059 25.089 -4.504 1.00 0.00 H new ATOM 289 N HIS A 20 17.926 29.110 -4.731 1.00 0.00 N ATOM 290 CA HIS A 20 18.773 30.262 -4.997 1.00 0.00 C ATOM 291 C HIS A 20 18.244 31.479 -4.245 1.00 0.00 C ATOM 292 O HIS A 20 19.015 32.226 -3.663 1.00 0.00 O ATOM 293 CB HIS A 20 18.811 30.542 -6.505 1.00 0.00 C ATOM 294 CG HIS A 20 19.350 29.386 -7.308 1.00 0.00 C ATOM 295 ND1 HIS A 20 19.352 29.378 -8.699 1.00 0.00 N ATOM 296 CD2 HIS A 20 19.912 28.184 -6.951 1.00 0.00 C ATOM 297 CE1 HIS A 20 19.899 28.208 -9.082 1.00 0.00 C ATOM 298 NE2 HIS A 20 20.262 27.430 -8.060 1.00 0.00 N ATOM 0 H HIS A 20 17.515 28.691 -5.565 1.00 0.00 H new ATOM 0 HA HIS A 20 19.786 30.051 -4.653 1.00 0.00 H new ATOM 0 HB2 HIS A 20 17.804 30.778 -6.850 1.00 0.00 H new ATOM 0 HB3 HIS A 20 19.426 31.423 -6.689 1.00 0.00 H new ATOM 0 HD2 HIS A 20 20.063 27.865 -5.930 1.00 0.00 H new ATOM 0 HE1 HIS A 20 20.031 27.927 -10.116 1.00 0.00 H new ATOM 0 HE2 HIS A 20 20.692 26.506 -8.088 1.00 0.00 H new ATOM 306 N VAL A 21 16.925 31.674 -4.267 1.00 0.00 N ATOM 307 CA VAL A 21 16.294 32.808 -3.607 1.00 0.00 C ATOM 308 C VAL A 21 16.406 32.693 -2.080 1.00 0.00 C ATOM 309 O VAL A 21 16.622 33.698 -1.404 1.00 0.00 O ATOM 310 CB VAL A 21 14.821 32.885 -4.052 1.00 0.00 C ATOM 311 CG1 VAL A 21 13.999 33.699 -3.047 1.00 0.00 C ATOM 312 CG2 VAL A 21 14.742 33.550 -5.426 1.00 0.00 C ATOM 0 H VAL A 21 16.271 31.052 -4.741 1.00 0.00 H new ATOM 0 HA VAL A 21 16.807 33.725 -3.895 1.00 0.00 H new ATOM 0 HB VAL A 21 14.415 31.875 -4.102 1.00 0.00 H new ATOM 0 HG11 VAL A 21 12.961 33.743 -3.377 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.048 33.224 -2.067 1.00 0.00 H new ATOM 0 HG13 VAL A 21 14.402 34.710 -2.981 1.00 0.00 H new ATOM 0 HG21 VAL A 21 13.701 33.606 -5.744 1.00 0.00 H new ATOM 0 HG22 VAL A 21 15.158 34.556 -5.368 1.00 0.00 H new ATOM 0 HG23 VAL A 21 15.310 32.963 -6.147 1.00 0.00 H new ATOM 322 N ILE A 22 16.246 31.481 -1.538 1.00 0.00 N ATOM 323 CA ILE A 22 16.259 31.276 -0.092 1.00 0.00 C ATOM 324 C ILE A 22 17.590 31.716 0.534 1.00 0.00 C ATOM 325 O ILE A 22 17.589 32.575 1.414 1.00 0.00 O ATOM 326 CB ILE A 22 15.951 29.801 0.227 1.00 0.00 C ATOM 327 CG1 ILE A 22 14.445 29.550 0.035 1.00 0.00 C ATOM 328 CG2 ILE A 22 16.336 29.492 1.682 1.00 0.00 C ATOM 329 CD1 ILE A 22 14.167 28.049 -0.099 1.00 0.00 C ATOM 0 H ILE A 22 16.106 30.629 -2.082 1.00 0.00 H new ATOM 0 HA ILE A 22 15.483 31.901 0.350 1.00 0.00 H new ATOM 0 HB ILE A 22 16.524 29.157 -0.440 1.00 0.00 H new ATOM 0 HG12 ILE A 22 13.891 29.955 0.882 1.00 0.00 H new ATOM 0 HG13 ILE A 22 14.093 30.072 -0.855 1.00 0.00 H new ATOM 0 HG21 ILE A 22 16.116 28.447 1.903 1.00 0.00 H new ATOM 0 HG22 ILE A 22 17.401 29.676 1.824 1.00 0.00 H new ATOM 0 HG23 ILE A 22 15.764 30.133 2.354 1.00 0.00 H new ATOM 0 HD11 ILE A 22 13.098 27.888 -0.234 1.00 0.00 H new ATOM 0 HD12 ILE A 22 14.705 27.655 -0.961 1.00 0.00 H new ATOM 0 HD13 ILE A 22 14.500 27.535 0.803 1.00 0.00 H new ATOM 341 N ASN A 23 18.721 31.123 0.108 1.00 0.00 N ATOM 342 CA ASN A 23 20.023 31.421 0.724 1.00 0.00 C ATOM 343 C ASN A 23 20.975 32.127 -0.251 1.00 0.00 C ATOM 344 O ASN A 23 22.188 32.098 -0.049 1.00 0.00 O ATOM 345 CB ASN A 23 20.642 30.118 1.245 1.00 0.00 C ATOM 346 CG ASN A 23 20.968 29.159 0.107 1.00 0.00 C ATOM 347 OD1 ASN A 23 22.134 29.333 -0.509 1.00 0.00 O flip ATOM 348 ND2 ASN A 23 20.175 28.276 -0.210 1.00 0.00 N flip ATOM 0 H ASN A 23 18.758 30.443 -0.651 1.00 0.00 H new ATOM 0 HA ASN A 23 19.862 32.109 1.554 1.00 0.00 H new ATOM 0 HB2 ASN A 23 21.551 30.344 1.803 1.00 0.00 H new ATOM 0 HB3 ASN A 23 19.952 29.639 1.939 1.00 0.00 H new ATOM 0 HD21 ASN A 23 19.292 28.180 0.291 1.00 0.00 H new ATOM 0 HD22 ASN A 23 20.400 27.639 -0.974 1.00 0.00 H new ATOM 355 N LYS A 24 20.432 32.774 -1.290 1.00 0.00 N ATOM 356 CA LYS A 24 21.239 33.517 -2.256 1.00 0.00 C ATOM 357 C LYS A 24 22.325 32.616 -2.867 1.00 0.00 C ATOM 358 O LYS A 24 23.484 33.021 -2.967 1.00 0.00 O ATOM 359 CB LYS A 24 21.858 34.740 -1.560 1.00 0.00 C ATOM 360 CG LYS A 24 22.225 35.803 -2.603 1.00 0.00 C ATOM 361 CD LYS A 24 22.980 36.959 -1.933 1.00 0.00 C ATOM 362 CE LYS A 24 24.435 36.553 -1.668 1.00 0.00 C ATOM 363 NZ LYS A 24 25.211 37.689 -1.135 1.00 0.00 N ATOM 0 H LYS A 24 19.430 32.795 -1.481 1.00 0.00 H new ATOM 0 HA LYS A 24 20.604 33.858 -3.073 1.00 0.00 H new ATOM 0 HB2 LYS A 24 21.154 35.154 -0.838 1.00 0.00 H new ATOM 0 HB3 LYS A 24 22.747 34.442 -1.003 1.00 0.00 H new ATOM 0 HG2 LYS A 24 22.842 35.359 -3.384 1.00 0.00 H new ATOM 0 HG3 LYS A 24 21.322 36.178 -3.085 1.00 0.00 H new ATOM 0 HD2 LYS A 24 22.951 37.842 -2.572 1.00 0.00 H new ATOM 0 HD3 LYS A 24 22.493 37.228 -0.996 1.00 0.00 H new ATOM 0 HE2 LYS A 24 24.462 35.725 -0.960 1.00 0.00 H new ATOM 0 HE3 LYS A 24 24.891 36.197 -2.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 26.192 37.389 -0.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 25.202 38.469 -1.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 24.786 38.011 -0.242 1.00 0.00 H new ATOM 377 N THR A 25 21.954 31.395 -3.278 1.00 0.00 N ATOM 378 CA THR A 25 22.905 30.470 -3.890 1.00 0.00 C ATOM 379 C THR A 25 23.357 31.019 -5.242 1.00 0.00 C ATOM 380 O THR A 25 24.511 30.845 -5.632 1.00 0.00 O ATOM 381 CB THR A 25 22.257 29.088 -4.070 1.00 0.00 C ATOM 382 OG1 THR A 25 21.305 28.866 -3.054 1.00 0.00 O ATOM 383 CG2 THR A 25 23.330 28.001 -4.004 1.00 0.00 C ATOM 0 H THR A 25 21.005 31.031 -3.196 1.00 0.00 H new ATOM 0 HA THR A 25 23.773 30.366 -3.238 1.00 0.00 H new ATOM 0 HB THR A 25 21.763 29.054 -5.041 1.00 0.00 H new ATOM 0 HG1 THR A 25 21.759 28.810 -2.187 1.00 0.00 H new ATOM 0 HG21 THR A 25 22.866 27.023 -4.132 1.00 0.00 H new ATOM 0 HG22 THR A 25 24.061 28.162 -4.797 1.00 0.00 H new ATOM 0 HG23 THR A 25 23.830 28.041 -3.036 1.00 0.00 H new ATOM 391 N ARG A 26 22.436 31.684 -5.954 1.00 0.00 N ATOM 392 CA ARG A 26 22.720 32.259 -7.256 1.00 0.00 C ATOM 393 C ARG A 26 21.993 33.595 -7.376 1.00 0.00 C ATOM 394 O ARG A 26 20.874 33.737 -6.884 1.00 0.00 O ATOM 395 CB ARG A 26 22.260 31.286 -8.348 1.00 0.00 C ATOM 396 CG ARG A 26 23.111 31.463 -9.610 1.00 0.00 C ATOM 397 CD ARG A 26 24.435 30.711 -9.450 1.00 0.00 C ATOM 398 NE ARG A 26 25.259 30.842 -10.657 1.00 0.00 N ATOM 399 CZ ARG A 26 26.470 30.274 -10.782 1.00 0.00 C ATOM 400 NH1 ARG A 26 26.984 29.553 -9.774 1.00 0.00 N ATOM 401 NH2 ARG A 26 27.167 30.428 -11.914 1.00 0.00 N ATOM 0 H ARG A 26 21.478 31.833 -5.636 1.00 0.00 H new ATOM 0 HA ARG A 26 23.790 32.430 -7.373 1.00 0.00 H new ATOM 0 HB2 ARG A 26 22.340 30.260 -7.988 1.00 0.00 H new ATOM 0 HB3 ARG A 26 21.210 31.461 -8.582 1.00 0.00 H new ATOM 0 HG2 ARG A 26 22.571 31.088 -10.480 1.00 0.00 H new ATOM 0 HG3 ARG A 26 23.302 32.522 -9.786 1.00 0.00 H new ATOM 0 HD2 ARG A 26 24.978 31.101 -8.589 1.00 0.00 H new ATOM 0 HD3 ARG A 26 24.238 29.657 -9.251 1.00 0.00 H new ATOM 0 HE ARG A 26 24.896 31.390 -11.437 1.00 0.00 H new ATOM 0 HH11 ARG A 26 26.455 29.435 -8.910 1.00 0.00 H new ATOM 0 HH12 ARG A 26 27.904 29.123 -9.872 1.00 0.00 H new ATOM 0 HH21 ARG A 26 26.779 30.976 -12.681 1.00 0.00 H new ATOM 0 HH22 ARG A 26 28.087 29.997 -12.009 1.00 0.00 H new ATOM 415 N PHE A 27 22.629 34.572 -8.029 1.00 0.00 N ATOM 416 CA PHE A 27 22.036 35.887 -8.204 1.00 0.00 C ATOM 417 C PHE A 27 20.834 35.793 -9.139 1.00 0.00 C ATOM 418 O PHE A 27 20.893 35.114 -10.165 1.00 0.00 O ATOM 419 CB PHE A 27 23.078 36.854 -8.772 1.00 0.00 C ATOM 420 CG PHE A 27 22.485 38.186 -9.181 1.00 0.00 C ATOM 421 CD1 PHE A 27 22.040 39.091 -8.197 1.00 0.00 C ATOM 422 CD2 PHE A 27 22.361 38.518 -10.544 1.00 0.00 C ATOM 423 CE1 PHE A 27 21.476 40.321 -8.576 1.00 0.00 C ATOM 424 CE2 PHE A 27 21.797 39.747 -10.921 1.00 0.00 C ATOM 425 CZ PHE A 27 21.354 40.650 -9.938 1.00 0.00 C ATOM 0 H PHE A 27 23.556 34.470 -8.443 1.00 0.00 H new ATOM 0 HA PHE A 27 21.699 36.262 -7.238 1.00 0.00 H new ATOM 0 HB2 PHE A 27 23.855 37.022 -8.026 1.00 0.00 H new ATOM 0 HB3 PHE A 27 23.559 36.395 -9.636 1.00 0.00 H new ATOM 0 HD1 PHE A 27 22.132 38.839 -7.151 1.00 0.00 H new ATOM 0 HD2 PHE A 27 22.700 37.826 -11.300 1.00 0.00 H new ATOM 0 HE1 PHE A 27 21.136 41.014 -7.821 1.00 0.00 H new ATOM 0 HE2 PHE A 27 21.703 39.999 -11.967 1.00 0.00 H new ATOM 0 HZ PHE A 27 20.920 41.595 -10.229 1.00 0.00 H new ATOM 435 N VAL A 28 19.750 36.487 -8.778 1.00 0.00 N ATOM 436 CA VAL A 28 18.536 36.524 -9.577 1.00 0.00 C ATOM 437 C VAL A 28 17.955 37.928 -9.528 1.00 0.00 C ATOM 438 O VAL A 28 18.177 38.664 -8.560 1.00 0.00 O ATOM 439 CB VAL A 28 17.509 35.505 -9.051 1.00 0.00 C ATOM 440 CG1 VAL A 28 17.956 34.081 -9.396 1.00 0.00 C ATOM 441 CG2 VAL A 28 17.354 35.637 -7.531 1.00 0.00 C ATOM 0 H VAL A 28 19.697 37.037 -7.921 1.00 0.00 H new ATOM 0 HA VAL A 28 18.775 36.261 -10.607 1.00 0.00 H new ATOM 0 HB VAL A 28 16.549 35.708 -9.526 1.00 0.00 H new ATOM 0 HG11 VAL A 28 17.223 33.368 -9.019 1.00 0.00 H new ATOM 0 HG12 VAL A 28 18.040 33.978 -10.478 1.00 0.00 H new ATOM 0 HG13 VAL A 28 18.924 33.882 -8.937 1.00 0.00 H new ATOM 0 HG21 VAL A 28 16.624 34.910 -7.175 1.00 0.00 H new ATOM 0 HG22 VAL A 28 18.315 35.453 -7.050 1.00 0.00 H new ATOM 0 HG23 VAL A 28 17.013 36.643 -7.286 1.00 0.00 H new ATOM 451 N ALA A 29 17.206 38.301 -10.567 1.00 0.00 N ATOM 452 CA ALA A 29 16.583 39.609 -10.632 1.00 0.00 C ATOM 453 C ALA A 29 15.523 39.729 -9.539 1.00 0.00 C ATOM 454 O ALA A 29 15.034 38.715 -9.027 1.00 0.00 O ATOM 455 CB ALA A 29 15.958 39.804 -12.015 1.00 0.00 C ATOM 0 H ALA A 29 17.020 37.707 -11.375 1.00 0.00 H new ATOM 0 HA ALA A 29 17.333 40.384 -10.472 1.00 0.00 H new ATOM 0 HB1 ALA A 29 15.489 40.786 -12.067 1.00 0.00 H new ATOM 0 HB2 ALA A 29 16.733 39.731 -12.778 1.00 0.00 H new ATOM 0 HB3 ALA A 29 15.206 39.033 -12.187 1.00 0.00 H new ATOM 461 N GLU A 30 15.168 40.970 -9.190 1.00 0.00 N ATOM 462 CA GLU A 30 14.164 41.237 -8.168 1.00 0.00 C ATOM 463 C GLU A 30 12.889 40.455 -8.483 1.00 0.00 C ATOM 464 O GLU A 30 12.265 39.889 -7.587 1.00 0.00 O ATOM 465 CB GLU A 30 13.861 42.748 -8.117 1.00 0.00 C ATOM 466 CG GLU A 30 15.158 43.573 -8.063 1.00 0.00 C ATOM 467 CD GLU A 30 16.074 43.102 -6.945 1.00 0.00 C ATOM 468 OE1 GLU A 30 15.759 43.419 -5.780 1.00 0.00 O ATOM 469 OE2 GLU A 30 17.075 42.428 -7.272 1.00 0.00 O ATOM 0 H GLU A 30 15.569 41.810 -9.608 1.00 0.00 H new ATOM 0 HA GLU A 30 14.544 40.920 -7.197 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.280 43.035 -8.994 1.00 0.00 H new ATOM 0 HB3 GLU A 30 13.249 42.970 -7.243 1.00 0.00 H new ATOM 0 HG2 GLU A 30 15.679 43.496 -9.018 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.915 44.625 -7.916 1.00 0.00 H new ATOM 476 N GLU A 31 12.512 40.434 -9.768 1.00 0.00 N ATOM 477 CA GLU A 31 11.315 39.751 -10.232 1.00 0.00 C ATOM 478 C GLU A 31 11.287 38.300 -9.748 1.00 0.00 C ATOM 479 O GLU A 31 10.264 37.843 -9.249 1.00 0.00 O ATOM 480 CB GLU A 31 11.269 39.808 -11.762 1.00 0.00 C ATOM 481 CG GLU A 31 11.125 41.260 -12.228 1.00 0.00 C ATOM 482 CD GLU A 31 11.081 41.340 -13.747 1.00 0.00 C ATOM 483 OE1 GLU A 31 12.172 41.240 -14.351 1.00 0.00 O ATOM 484 OE2 GLU A 31 9.960 41.497 -14.276 1.00 0.00 O ATOM 0 H GLU A 31 13.036 40.895 -10.512 1.00 0.00 H new ATOM 0 HA GLU A 31 10.438 40.251 -9.821 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.178 39.372 -12.178 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.433 39.214 -12.131 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.215 41.692 -11.810 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.960 41.851 -11.853 1.00 0.00 H new ATOM 491 N THR A 32 12.403 37.573 -9.902 1.00 0.00 N ATOM 492 CA THR A 32 12.470 36.176 -9.500 1.00 0.00 C ATOM 493 C THR A 32 12.218 36.049 -7.999 1.00 0.00 C ATOM 494 O THR A 32 11.437 35.204 -7.565 1.00 0.00 O ATOM 495 CB THR A 32 13.851 35.605 -9.860 1.00 0.00 C ATOM 496 OG1 THR A 32 14.522 36.482 -10.746 1.00 0.00 O ATOM 497 CG2 THR A 32 13.691 34.238 -10.525 1.00 0.00 C ATOM 0 H THR A 32 13.267 37.937 -10.303 1.00 0.00 H new ATOM 0 HA THR A 32 11.702 35.611 -10.028 1.00 0.00 H new ATOM 0 HB THR A 32 14.436 35.498 -8.946 1.00 0.00 H new ATOM 0 HG1 THR A 32 14.897 37.233 -10.241 1.00 0.00 H new ATOM 0 HG21 THR A 32 14.673 33.839 -10.778 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.188 33.556 -9.839 1.00 0.00 H new ATOM 0 HG23 THR A 32 13.097 34.342 -11.433 1.00 0.00 H new ATOM 505 N ARG A 33 12.889 36.895 -7.215 1.00 0.00 N ATOM 506 CA ARG A 33 12.770 36.877 -5.767 1.00 0.00 C ATOM 507 C ARG A 33 11.313 37.096 -5.350 1.00 0.00 C ATOM 508 O ARG A 33 10.755 36.300 -4.593 1.00 0.00 O ATOM 509 CB ARG A 33 13.683 37.963 -5.188 1.00 0.00 C ATOM 510 CG ARG A 33 14.122 37.578 -3.773 1.00 0.00 C ATOM 511 CD ARG A 33 15.030 38.668 -3.199 1.00 0.00 C ATOM 512 NE ARG A 33 16.172 38.920 -4.097 1.00 0.00 N ATOM 513 CZ ARG A 33 16.402 40.104 -4.698 1.00 0.00 C ATOM 514 NH1 ARG A 33 15.873 41.230 -4.203 1.00 0.00 N ATOM 515 NH2 ARG A 33 17.162 40.152 -5.799 1.00 0.00 N ATOM 0 H ARG A 33 13.527 37.607 -7.570 1.00 0.00 H new ATOM 0 HA ARG A 33 13.078 35.906 -5.378 1.00 0.00 H new ATOM 0 HB2 ARG A 33 14.557 38.093 -5.826 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.158 38.918 -5.168 1.00 0.00 H new ATOM 0 HG2 ARG A 33 13.249 37.446 -3.134 1.00 0.00 H new ATOM 0 HG3 ARG A 33 14.650 36.625 -3.793 1.00 0.00 H new ATOM 0 HD2 ARG A 33 14.460 39.587 -3.060 1.00 0.00 H new ATOM 0 HD3 ARG A 33 15.393 38.366 -2.217 1.00 0.00 H new ATOM 0 HE ARG A 33 16.824 38.156 -4.273 1.00 0.00 H new ATOM 0 HH11 ARG A 33 15.292 41.195 -3.366 1.00 0.00 H new ATOM 0 HH12 ARG A 33 16.051 42.123 -4.663 1.00 0.00 H new ATOM 0 HH21 ARG A 33 17.564 39.295 -6.179 1.00 0.00 H new ATOM 0 HH22 ARG A 33 17.339 41.046 -6.258 1.00 0.00 H new ATOM 529 N ASN A 34 10.704 38.179 -5.843 1.00 0.00 N ATOM 530 CA ASN A 34 9.327 38.512 -5.514 1.00 0.00 C ATOM 531 C ASN A 34 8.383 37.397 -5.965 1.00 0.00 C ATOM 532 O ASN A 34 7.505 36.992 -5.209 1.00 0.00 O ATOM 533 CB ASN A 34 8.946 39.838 -6.184 1.00 0.00 C ATOM 534 CG ASN A 34 9.669 41.013 -5.534 1.00 0.00 C ATOM 535 OD1 ASN A 34 10.503 41.658 -6.162 1.00 0.00 O ATOM 536 ND2 ASN A 34 9.344 41.295 -4.271 1.00 0.00 N ATOM 0 H ASN A 34 11.153 38.841 -6.476 1.00 0.00 H new ATOM 0 HA ASN A 34 9.236 38.618 -4.433 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.194 39.797 -7.245 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.869 39.987 -6.114 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.795 42.073 -3.790 1.00 0.00 H new ATOM 0 HD22 ASN A 34 8.645 40.732 -3.787 1.00 0.00 H new ATOM 543 N ALA A 35 8.563 36.911 -7.197 1.00 0.00 N ATOM 544 CA ALA A 35 7.711 35.868 -7.759 1.00 0.00 C ATOM 545 C ALA A 35 7.711 34.627 -6.865 1.00 0.00 C ATOM 546 O ALA A 35 6.651 34.086 -6.564 1.00 0.00 O ATOM 547 CB ALA A 35 8.199 35.516 -9.165 1.00 0.00 C ATOM 0 H ALA A 35 9.300 37.230 -7.826 1.00 0.00 H new ATOM 0 HA ALA A 35 6.687 36.238 -7.816 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.564 34.737 -9.586 1.00 0.00 H new ATOM 0 HB2 ALA A 35 8.155 36.402 -9.798 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.227 35.158 -9.114 1.00 0.00 H new ATOM 553 N VAL A 36 8.899 34.173 -6.450 1.00 0.00 N ATOM 554 CA VAL A 36 9.022 32.988 -5.611 1.00 0.00 C ATOM 555 C VAL A 36 8.248 33.179 -4.305 1.00 0.00 C ATOM 556 O VAL A 36 7.372 32.376 -3.981 1.00 0.00 O ATOM 557 CB VAL A 36 10.512 32.708 -5.346 1.00 0.00 C ATOM 558 CG1 VAL A 36 10.670 31.740 -4.167 1.00 0.00 C ATOM 559 CG2 VAL A 36 11.141 32.083 -6.594 1.00 0.00 C ATOM 0 H VAL A 36 9.788 34.614 -6.685 1.00 0.00 H new ATOM 0 HA VAL A 36 8.592 32.127 -6.123 1.00 0.00 H new ATOM 0 HB VAL A 36 11.010 33.648 -5.106 1.00 0.00 H new ATOM 0 HG11 VAL A 36 11.729 31.551 -3.991 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.226 32.179 -3.274 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.167 30.801 -4.397 1.00 0.00 H new ATOM 0 HG21 VAL A 36 12.196 31.884 -6.409 1.00 0.00 H new ATOM 0 HG22 VAL A 36 10.631 31.149 -6.829 1.00 0.00 H new ATOM 0 HG23 VAL A 36 11.044 32.771 -7.434 1.00 0.00 H new ATOM 569 N TRP A 37 8.569 34.240 -3.551 1.00 0.00 N ATOM 570 CA TRP A 37 7.917 34.499 -2.274 1.00 0.00 C ATOM 571 C TRP A 37 6.410 34.679 -2.458 1.00 0.00 C ATOM 572 O TRP A 37 5.629 34.259 -1.604 1.00 0.00 O ATOM 573 CB TRP A 37 8.538 35.736 -1.621 1.00 0.00 C ATOM 574 CG TRP A 37 9.987 35.591 -1.250 1.00 0.00 C ATOM 575 CD1 TRP A 37 10.964 36.453 -1.573 1.00 0.00 C ATOM 576 CD2 TRP A 37 10.648 34.531 -0.482 1.00 0.00 C ATOM 577 NE1 TRP A 37 12.178 36.033 -1.085 1.00 0.00 N ATOM 578 CE2 TRP A 37 12.044 34.843 -0.398 1.00 0.00 C ATOM 579 CE3 TRP A 37 10.220 33.341 0.158 1.00 0.00 C ATOM 580 CZ2 TRP A 37 12.957 34.021 0.271 1.00 0.00 C ATOM 581 CZ3 TRP A 37 11.142 32.509 0.831 1.00 0.00 C ATOM 582 CH2 TRP A 37 12.505 32.850 0.885 1.00 0.00 C ATOM 0 H TRP A 37 9.276 34.928 -3.809 1.00 0.00 H new ATOM 0 HA TRP A 37 8.069 33.640 -1.620 1.00 0.00 H new ATOM 0 HB2 TRP A 37 8.435 36.580 -2.303 1.00 0.00 H new ATOM 0 HB3 TRP A 37 7.970 35.980 -0.723 1.00 0.00 H new ATOM 0 HD1 TRP A 37 10.815 37.359 -2.142 1.00 0.00 H new ATOM 0 HE1 TRP A 37 13.058 36.532 -1.213 1.00 0.00 H new ATOM 0 HE3 TRP A 37 9.176 33.067 0.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 14.002 34.289 0.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 10.797 31.603 1.308 1.00 0.00 H new ATOM 0 HH2 TRP A 37 13.203 32.207 1.401 1.00 0.00 H new ATOM 593 N ALA A 38 5.996 35.304 -3.564 1.00 0.00 N ATOM 594 CA ALA A 38 4.584 35.526 -3.839 1.00 0.00 C ATOM 595 C ALA A 38 3.875 34.189 -4.051 1.00 0.00 C ATOM 596 O ALA A 38 2.855 33.926 -3.422 1.00 0.00 O ATOM 597 CB ALA A 38 4.439 36.419 -5.072 1.00 0.00 C ATOM 0 H ALA A 38 6.625 35.664 -4.282 1.00 0.00 H new ATOM 0 HA ALA A 38 4.121 36.025 -2.988 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.382 36.586 -5.278 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.928 37.376 -4.888 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.904 35.933 -5.930 1.00 0.00 H new ATOM 603 N ALA A 39 4.420 33.350 -4.940 1.00 0.00 N ATOM 604 CA ALA A 39 3.837 32.052 -5.255 1.00 0.00 C ATOM 605 C ALA A 39 3.705 31.196 -3.994 1.00 0.00 C ATOM 606 O ALA A 39 2.681 30.541 -3.793 1.00 0.00 O ATOM 607 CB ALA A 39 4.710 31.346 -6.292 1.00 0.00 C ATOM 0 H ALA A 39 5.275 33.556 -5.457 1.00 0.00 H new ATOM 0 HA ALA A 39 2.837 32.200 -5.664 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.278 30.374 -6.531 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.763 31.952 -7.197 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.713 31.208 -5.889 1.00 0.00 H new ATOM 613 N ILE A 40 4.744 31.197 -3.147 1.00 0.00 N ATOM 614 CA ILE A 40 4.745 30.413 -1.917 1.00 0.00 C ATOM 615 C ILE A 40 3.546 30.785 -1.044 1.00 0.00 C ATOM 616 O ILE A 40 2.902 29.905 -0.477 1.00 0.00 O ATOM 617 CB ILE A 40 6.071 30.644 -1.170 1.00 0.00 C ATOM 618 CG1 ILE A 40 7.188 29.850 -1.865 1.00 0.00 C ATOM 619 CG2 ILE A 40 5.937 30.178 0.288 1.00 0.00 C ATOM 620 CD1 ILE A 40 8.556 30.420 -1.485 1.00 0.00 C ATOM 0 H ILE A 40 5.596 31.737 -3.298 1.00 0.00 H new ATOM 0 HA ILE A 40 4.658 29.354 -2.159 1.00 0.00 H new ATOM 0 HB ILE A 40 6.314 31.707 -1.182 1.00 0.00 H new ATOM 0 HG12 ILE A 40 7.131 28.800 -1.578 1.00 0.00 H new ATOM 0 HG13 ILE A 40 7.056 29.892 -2.946 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.879 30.344 0.811 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.145 30.743 0.779 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.693 29.116 0.310 1.00 0.00 H new ATOM 0 HD11 ILE A 40 9.339 29.849 -1.984 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.614 31.463 -1.795 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.690 30.354 -0.405 1.00 0.00 H new ATOM 632 N LYS A 41 3.248 32.081 -0.931 1.00 0.00 N ATOM 633 CA LYS A 41 2.141 32.546 -0.113 1.00 0.00 C ATOM 634 C LYS A 41 0.821 32.304 -0.835 1.00 0.00 C ATOM 635 O LYS A 41 -0.180 31.987 -0.201 1.00 0.00 O ATOM 636 CB LYS A 41 2.318 34.036 0.177 1.00 0.00 C ATOM 637 CG LYS A 41 3.487 34.242 1.142 1.00 0.00 C ATOM 638 CD LYS A 41 3.468 35.676 1.686 1.00 0.00 C ATOM 639 CE LYS A 41 3.762 36.690 0.571 1.00 0.00 C ATOM 640 NZ LYS A 41 5.098 36.477 -0.013 1.00 0.00 N ATOM 0 H LYS A 41 3.764 32.825 -1.400 1.00 0.00 H new ATOM 0 HA LYS A 41 2.128 31.995 0.827 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.501 34.577 -0.751 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.403 34.443 0.608 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.420 33.531 1.965 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.430 34.050 0.631 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.495 35.888 2.128 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.208 35.778 2.480 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.005 36.605 -0.209 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.695 37.702 0.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.370 37.311 -0.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.790 36.329 0.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.078 35.640 -0.630 1.00 0.00 H new ATOM 654 N GLU A 42 0.827 32.468 -2.158 1.00 0.00 N ATOM 655 CA GLU A 42 -0.366 32.307 -2.968 1.00 0.00 C ATOM 656 C GLU A 42 -0.919 30.882 -2.851 1.00 0.00 C ATOM 657 O GLU A 42 -2.054 30.693 -2.421 1.00 0.00 O ATOM 658 CB GLU A 42 -0.033 32.643 -4.428 1.00 0.00 C ATOM 659 CG GLU A 42 -1.318 32.691 -5.262 1.00 0.00 C ATOM 660 CD GLU A 42 -0.996 32.792 -6.747 1.00 0.00 C ATOM 661 OE1 GLU A 42 -0.159 33.650 -7.093 1.00 0.00 O ATOM 662 OE2 GLU A 42 -1.592 32.003 -7.515 1.00 0.00 O ATOM 0 H GLU A 42 1.661 32.716 -2.691 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.137 32.988 -2.608 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.480 33.603 -4.481 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.647 31.895 -4.836 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.912 31.797 -5.074 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.923 33.545 -4.958 1.00 0.00 H new ATOM 669 N LEU A 43 -0.120 29.884 -3.250 1.00 0.00 N ATOM 670 CA LEU A 43 -0.555 28.489 -3.237 1.00 0.00 C ATOM 671 C LEU A 43 -0.433 27.882 -1.836 1.00 0.00 C ATOM 672 O LEU A 43 -1.053 26.857 -1.562 1.00 0.00 O ATOM 673 CB LEU A 43 0.293 27.685 -4.238 1.00 0.00 C ATOM 674 CG LEU A 43 -0.595 27.108 -5.349 1.00 0.00 C ATOM 675 CD1 LEU A 43 0.291 26.541 -6.460 1.00 0.00 C ATOM 676 CD2 LEU A 43 -1.477 25.988 -4.786 1.00 0.00 C ATOM 0 H LEU A 43 0.833 30.022 -3.586 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.605 28.448 -3.526 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.060 28.327 -4.673 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.810 26.877 -3.720 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.230 27.899 -5.747 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.336 26.130 -7.251 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.916 27.335 -6.868 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.925 25.753 -6.053 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.104 25.584 -5.581 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.846 25.196 -4.383 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.109 26.387 -3.993 1.00 0.00 H new ATOM 688 N HIS A 44 0.371 28.514 -0.964 1.00 0.00 N ATOM 689 CA HIS A 44 0.613 28.039 0.400 1.00 0.00 C ATOM 690 C HIS A 44 1.576 26.850 0.369 1.00 0.00 C ATOM 691 O HIS A 44 1.358 25.881 -0.362 1.00 0.00 O ATOM 692 CB HIS A 44 -0.695 27.637 1.112 1.00 0.00 C ATOM 693 CG HIS A 44 -1.853 28.566 0.848 1.00 0.00 C ATOM 694 ND1 HIS A 44 -1.710 29.944 0.734 1.00 0.00 N ATOM 695 CD2 HIS A 44 -3.196 28.339 0.678 1.00 0.00 C ATOM 696 CE1 HIS A 44 -2.942 30.446 0.510 1.00 0.00 C ATOM 697 NE2 HIS A 44 -3.895 29.516 0.464 1.00 0.00 N ATOM 0 H HIS A 44 0.872 29.373 -1.191 1.00 0.00 H new ATOM 0 HA HIS A 44 1.055 28.860 0.964 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.972 26.631 0.798 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.513 27.597 2.186 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -0.841 30.473 0.806 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -3.653 27.361 0.707 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -3.137 31.500 0.380 1.00 0.00 H new ATOM 705 N TYR A 45 2.642 26.920 1.173 1.00 0.00 N ATOM 706 CA TYR A 45 3.612 25.842 1.268 1.00 0.00 C ATOM 707 C TYR A 45 3.065 24.783 2.228 1.00 0.00 C ATOM 708 O TYR A 45 3.527 24.680 3.350 1.00 0.00 O ATOM 709 CB TYR A 45 4.954 26.416 1.750 1.00 0.00 C ATOM 710 CG TYR A 45 5.972 25.372 2.175 1.00 0.00 C ATOM 711 CD1 TYR A 45 6.164 24.203 1.412 1.00 0.00 C ATOM 712 CD2 TYR A 45 6.733 25.575 3.341 1.00 0.00 C ATOM 713 CE1 TYR A 45 7.107 23.245 1.820 1.00 0.00 C ATOM 714 CE2 TYR A 45 7.674 24.617 3.747 1.00 0.00 C ATOM 715 CZ TYR A 45 7.862 23.452 2.985 1.00 0.00 C ATOM 716 OH TYR A 45 8.777 22.520 3.377 1.00 0.00 O ATOM 0 H TYR A 45 2.849 27.722 1.769 1.00 0.00 H new ATOM 0 HA TYR A 45 3.780 25.373 0.298 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.384 27.020 0.951 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.767 27.085 2.590 1.00 0.00 H new ATOM 0 HD1 TYR A 45 5.586 24.044 0.514 1.00 0.00 H new ATOM 0 HD2 TYR A 45 6.592 26.472 3.926 1.00 0.00 H new ATOM 0 HE1 TYR A 45 7.251 22.348 1.236 1.00 0.00 H new ATOM 0 HE2 TYR A 45 8.253 24.775 4.645 1.00 0.00 H new ATOM 0 HH TYR A 45 9.214 22.817 4.202 1.00 0.00 H new ATOM 726 N SER A 46 2.064 24.018 1.743 1.00 0.00 N ATOM 727 CA SER A 46 1.358 22.961 2.492 1.00 0.00 C ATOM 728 C SER A 46 1.720 22.912 4.005 1.00 0.00 C ATOM 729 O SER A 46 0.950 23.440 4.806 1.00 0.00 O ATOM 730 CB SER A 46 1.562 21.616 1.781 1.00 0.00 C ATOM 731 OG SER A 46 0.697 21.541 0.668 1.00 0.00 O ATOM 0 H SER A 46 1.716 24.124 0.790 1.00 0.00 H new ATOM 0 HA SER A 46 0.295 23.202 2.490 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.598 21.516 1.458 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.361 20.794 2.468 1.00 0.00 H new ATOM 0 HG SER A 46 0.826 20.684 0.211 1.00 0.00 H new ATOM 737 N PRO A 47 2.861 22.290 4.427 1.00 0.00 N ATOM 738 CA PRO A 47 3.216 22.210 5.837 1.00 0.00 C ATOM 739 C PRO A 47 3.340 23.602 6.466 1.00 0.00 C ATOM 740 O PRO A 47 2.623 23.915 7.415 1.00 0.00 O ATOM 741 CB PRO A 47 4.551 21.458 5.891 1.00 0.00 C ATOM 742 CG PRO A 47 5.029 21.318 4.445 1.00 0.00 C ATOM 743 CD PRO A 47 3.831 21.651 3.559 1.00 0.00 C ATOM 0 HA PRO A 47 2.444 21.694 6.407 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.280 22.004 6.489 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.427 20.480 6.355 1.00 0.00 H new ATOM 0 HG2 PRO A 47 5.860 21.994 4.244 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.386 20.307 4.251 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.121 22.313 2.743 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.417 20.750 3.107 1.00 0.00 H new ATOM 751 N SER A 48 4.260 24.427 5.934 1.00 0.00 N ATOM 752 CA SER A 48 4.516 25.778 6.438 1.00 0.00 C ATOM 753 C SER A 48 5.039 25.724 7.877 1.00 0.00 C ATOM 754 O SER A 48 5.122 24.653 8.479 1.00 0.00 O ATOM 755 CB SER A 48 3.240 26.634 6.350 1.00 0.00 C ATOM 756 OG SER A 48 2.799 26.694 5.011 1.00 0.00 O ATOM 0 H SER A 48 4.846 24.169 5.140 1.00 0.00 H new ATOM 0 HA SER A 48 5.282 26.242 5.816 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.460 26.208 6.981 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.438 27.639 6.723 1.00 0.00 H new ATOM 0 HG SER A 48 3.006 25.849 4.560 1.00 0.00 H new ATOM 762 N ALA A 49 5.392 26.891 8.428 1.00 0.00 N ATOM 763 CA ALA A 49 5.874 26.983 9.798 1.00 0.00 C ATOM 764 C ALA A 49 4.742 26.620 10.757 1.00 0.00 C ATOM 765 O ALA A 49 4.972 25.989 11.785 1.00 0.00 O ATOM 766 CB ALA A 49 6.378 28.401 10.063 1.00 0.00 C ATOM 0 H ALA A 49 5.350 27.785 7.938 1.00 0.00 H new ATOM 0 HA ALA A 49 6.698 26.287 9.954 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.740 28.473 11.089 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.191 28.633 9.375 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.564 29.110 9.915 1.00 0.00 H new ATOM 772 N VAL A 50 3.517 27.024 10.401 1.00 0.00 N ATOM 773 CA VAL A 50 2.336 26.742 11.195 1.00 0.00 C ATOM 774 C VAL A 50 1.116 26.745 10.276 1.00 0.00 C ATOM 775 O VAL A 50 1.100 27.456 9.270 1.00 0.00 O ATOM 776 CB VAL A 50 2.209 27.791 12.320 1.00 0.00 C ATOM 777 CG1 VAL A 50 1.985 29.188 11.726 1.00 0.00 C ATOM 778 CG2 VAL A 50 1.039 27.432 13.240 1.00 0.00 C ATOM 0 H VAL A 50 3.326 27.556 9.552 1.00 0.00 H new ATOM 0 HA VAL A 50 2.411 25.761 11.665 1.00 0.00 H new ATOM 0 HB VAL A 50 3.134 27.795 12.896 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.897 29.916 12.532 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.829 29.452 11.089 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.069 29.189 11.135 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.956 28.177 14.031 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.115 27.412 12.662 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.212 26.451 13.682 1.00 0.00 H new ATOM 788 N ALA A 51 0.100 25.946 10.617 1.00 0.00 N ATOM 789 CA ALA A 51 -1.113 25.855 9.826 1.00 0.00 C ATOM 790 C ALA A 51 -2.293 25.557 10.755 1.00 0.00 C ATOM 791 O ALA A 51 -2.340 26.066 11.874 1.00 0.00 O ATOM 792 CB ALA A 51 -0.938 24.764 8.764 1.00 0.00 C ATOM 0 H ALA A 51 0.103 25.351 11.445 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.313 26.796 9.314 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.846 24.690 8.166 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.097 25.017 8.118 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.746 23.808 9.252 1.00 0.00 H new ATOM 798 N ARG A 52 -3.240 24.733 10.294 1.00 0.00 N ATOM 799 CA ARG A 52 -4.412 24.377 11.083 1.00 0.00 C ATOM 800 C ARG A 52 -5.109 23.168 10.457 1.00 0.00 C ATOM 801 O ARG A 52 -5.462 22.226 11.163 1.00 0.00 O ATOM 802 CB ARG A 52 -5.365 25.585 11.187 1.00 0.00 C ATOM 803 CG ARG A 52 -5.787 26.077 9.795 1.00 0.00 C ATOM 804 CD ARG A 52 -6.426 27.463 9.911 1.00 0.00 C ATOM 805 NE ARG A 52 -6.909 27.936 8.605 1.00 0.00 N ATOM 806 CZ ARG A 52 -6.096 28.410 7.641 1.00 0.00 C ATOM 807 NH1 ARG A 52 -4.774 28.495 7.850 1.00 0.00 N ATOM 808 NH2 ARG A 52 -6.610 28.799 6.467 1.00 0.00 N ATOM 0 H ARG A 52 -3.212 24.300 9.371 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.104 24.106 12.093 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -6.249 25.307 11.761 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.874 26.394 11.729 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.920 26.119 9.135 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.493 25.376 9.349 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.256 27.426 10.617 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.699 28.170 10.311 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.911 27.904 8.419 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.379 28.200 8.743 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.164 28.855 7.116 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.615 28.736 6.304 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.996 29.158 5.736 1.00 0.00 H new ATOM 822 N SER A 53 -5.304 23.199 9.132 1.00 0.00 N ATOM 823 CA SER A 53 -5.956 22.116 8.412 1.00 0.00 C ATOM 824 C SER A 53 -5.886 22.395 6.911 1.00 0.00 C ATOM 825 O SER A 53 -5.191 21.692 6.180 1.00 0.00 O ATOM 826 CB SER A 53 -7.417 21.991 8.870 1.00 0.00 C ATOM 827 OG SER A 53 -8.028 23.266 8.882 1.00 0.00 O ATOM 0 H SER A 53 -5.013 23.976 8.538 1.00 0.00 H new ATOM 0 HA SER A 53 -5.447 21.175 8.622 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.961 21.324 8.202 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.459 21.549 9.865 1.00 0.00 H new ATOM 0 HG SER A 53 -8.960 23.180 9.173 1.00 0.00 H new ATOM 833 N LEU A 54 -6.615 23.430 6.466 1.00 0.00 N ATOM 834 CA LEU A 54 -6.664 23.819 5.058 1.00 0.00 C ATOM 835 C LEU A 54 -7.303 22.693 4.229 1.00 0.00 C ATOM 836 O LEU A 54 -7.756 21.692 4.780 1.00 0.00 O ATOM 837 CB LEU A 54 -5.243 24.159 4.558 1.00 0.00 C ATOM 838 CG LEU A 54 -5.156 25.646 4.176 1.00 0.00 C ATOM 839 CD1 LEU A 54 -3.688 26.036 3.993 1.00 0.00 C ATOM 840 CD2 LEU A 54 -5.913 25.902 2.870 1.00 0.00 C ATOM 0 H LEU A 54 -7.185 24.017 7.075 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.280 24.711 4.943 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.512 23.932 5.334 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.995 23.540 3.696 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.604 26.243 4.970 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.623 27.090 3.722 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.148 25.867 4.924 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.246 25.430 3.202 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.844 26.958 2.610 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.475 25.303 2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.960 25.627 2.997 1.00 0.00 H new ATOM 852 N LYS A 55 -7.341 22.871 2.903 1.00 0.00 N ATOM 853 CA LYS A 55 -7.925 21.885 2.005 1.00 0.00 C ATOM 854 C LYS A 55 -7.449 22.150 0.580 1.00 0.00 C ATOM 855 O LYS A 55 -6.967 23.240 0.279 1.00 0.00 O ATOM 856 CB LYS A 55 -9.463 21.942 2.092 1.00 0.00 C ATOM 857 CG LYS A 55 -9.990 23.333 1.682 1.00 0.00 C ATOM 858 CD LYS A 55 -10.422 23.348 0.203 1.00 0.00 C ATOM 859 CE LYS A 55 -11.684 22.492 -0.002 1.00 0.00 C ATOM 860 NZ LYS A 55 -11.375 21.240 -0.721 1.00 0.00 N ATOM 0 H LYS A 55 -6.970 23.696 2.432 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.605 20.885 2.299 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.896 21.180 1.444 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.782 21.714 3.109 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.835 23.606 2.314 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.215 24.082 1.845 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.616 24.373 -0.114 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.613 22.968 -0.421 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.128 22.258 0.966 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.425 23.062 -0.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.087 21.080 -1.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.433 21.313 -1.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.386 20.444 -0.052 1.00 0.00 H new ATOM 874 N VAL A 56 -7.594 21.143 -0.291 1.00 0.00 N ATOM 875 CA VAL A 56 -7.207 21.259 -1.689 1.00 0.00 C ATOM 876 C VAL A 56 -8.443 21.605 -2.518 1.00 0.00 C ATOM 877 O VAL A 56 -9.408 20.813 -2.426 1.00 0.00 O ATOM 878 CB VAL A 56 -6.584 19.936 -2.158 1.00 0.00 C ATOM 879 CG1 VAL A 56 -6.163 20.051 -3.627 1.00 0.00 C ATOM 880 CG2 VAL A 56 -5.352 19.612 -1.304 1.00 0.00 C ATOM 881 OXT VAL A 56 -8.526 22.785 -2.916 1.00 0.00 O ATOM 0 H VAL A 56 -7.981 20.233 -0.041 1.00 0.00 H new ATOM 0 HA VAL A 56 -6.467 22.049 -1.814 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.322 19.140 -2.052 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -5.722 19.109 -3.954 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.037 20.274 -4.239 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.431 20.851 -3.734 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.913 18.673 -1.640 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.619 20.412 -1.405 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.648 19.521 -0.259 1.00 0.00 H new TER 891 VAL A 56