USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 466 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -116:sc= -0.439 (180deg=-3.37!) USER MOD Single : A 1 MET N :NH3+ 151:sc= 1.59 (180deg=-0.218) USER MOD Single : A 2 ASN : amide:sc= 0.453 K(o=0.45,f=-0.73) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= 0.725 K(o=0.72,f=-2.2) USER MOD Single : A 8 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0596) USER MOD Single : A 10 SER OG : rot 180:sc= -0.351 USER MOD Single : A 11 THR OG1 : rot 180:sc=-2.44e-05 USER MOD Single : A 17 SER OG : rot -5:sc= 1.45 USER MOD Single : A 19 ASN : amide:sc= -1.86! C(o=-1.9!,f=-8.3!) USER MOD Single : A 21 THR OG1 : rot -149:sc= 0.0167 USER MOD Single : A 25 SER OG : rot -24:sc= 0.652 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.218 K(o=-0.22,f=-1.4!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.0834 X(o=0.083,f=0) USER MOD Single : A 52 THR OG1 : rot 93:sc= 0.107 USER MOD Single : A 53 THR OG1 : rot 27:sc= 0.189 USER MOD Single : A 55 LYS NZ :NH3+ -141:sc= 1.16 (180deg=-0.667) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.528 -11.205 -2.051 1.00 32.31 N ATOM 2 CA MET A 1 -2.550 -10.844 -0.985 1.00 14.13 C ATOM 3 C MET A 1 -2.749 -9.393 -0.500 1.00 33.34 C ATOM 4 O MET A 1 -3.008 -8.491 -1.299 1.00 44.14 O ATOM 5 CB MET A 1 -1.108 -11.053 -1.482 1.00 45.31 C ATOM 6 CG MET A 1 -0.711 -10.183 -2.667 1.00 5.43 C ATOM 7 SD MET A 1 0.980 -10.500 -3.216 1.00 42.33 S ATOM 8 CE MET A 1 1.172 -9.254 -4.489 1.00 64.30 C ATOM 0 H1 MET A 1 -3.110 -11.922 -2.678 1.00 32.31 H new ATOM 0 H2 MET A 1 -4.391 -11.588 -1.615 1.00 32.31 H new ATOM 0 H3 MET A 1 -3.767 -10.358 -2.605 1.00 32.31 H new ATOM 0 HA MET A 1 -2.728 -11.504 -0.136 1.00 14.13 H new ATOM 0 HB2 MET A 1 -0.422 -10.856 -0.658 1.00 45.31 H new ATOM 0 HB3 MET A 1 -0.982 -12.100 -1.759 1.00 45.31 H new ATOM 0 HG2 MET A 1 -1.398 -10.363 -3.493 1.00 5.43 H new ATOM 0 HG3 MET A 1 -0.811 -9.133 -2.393 1.00 5.43 H new ATOM 0 HE1 MET A 1 1.315 -9.739 -5.455 1.00 64.30 H new ATOM 0 HE2 MET A 1 0.279 -8.630 -4.525 1.00 64.30 H new ATOM 0 HE3 MET A 1 2.039 -8.634 -4.263 1.00 64.30 H new ATOM 20 N ASN A 2 -2.630 -9.183 0.815 1.00 2.50 N ATOM 21 CA ASN A 2 -2.872 -7.868 1.431 1.00 31.13 C ATOM 22 C ASN A 2 -1.715 -6.890 1.180 1.00 62.01 C ATOM 23 O ASN A 2 -0.549 -7.217 1.422 1.00 35.14 O ATOM 24 CB ASN A 2 -3.093 -8.018 2.941 1.00 21.25 C ATOM 25 CG ASN A 2 -4.199 -9.001 3.274 1.00 51.43 C ATOM 26 OD1 ASN A 2 -5.374 -8.650 3.311 1.00 60.42 O ATOM 27 ND2 ASN A 2 -3.837 -10.244 3.526 1.00 2.30 N ATOM 0 H ASN A 2 -2.366 -9.910 1.480 1.00 2.50 H new ATOM 0 HA ASN A 2 -3.768 -7.458 0.965 1.00 31.13 H new ATOM 0 HB2 ASN A 2 -2.166 -8.348 3.409 1.00 21.25 H new ATOM 0 HB3 ASN A 2 -3.336 -7.045 3.367 1.00 21.25 H new ATOM 0 HD21 ASN A 2 -4.542 -10.943 3.759 1.00 2.30 H new ATOM 0 HD22 ASN A 2 -2.852 -10.506 3.487 1.00 2.30 H new ATOM 34 N LEU A 3 -2.052 -5.686 0.715 1.00 45.44 N ATOM 35 CA LEU A 3 -1.059 -4.644 0.415 1.00 34.22 C ATOM 36 C LEU A 3 -1.570 -3.247 0.813 1.00 2.50 C ATOM 37 O LEU A 3 -2.574 -2.767 0.282 1.00 23.25 O ATOM 38 CB LEU A 3 -0.716 -4.647 -1.086 1.00 53.03 C ATOM 39 CG LEU A 3 0.018 -5.894 -1.608 1.00 35.03 C ATOM 40 CD1 LEU A 3 0.199 -5.820 -3.122 1.00 51.42 C ATOM 41 CD2 LEU A 3 1.370 -6.053 -0.919 1.00 45.31 C ATOM 0 H LEU A 3 -3.015 -5.403 0.535 1.00 45.44 H new ATOM 0 HA LEU A 3 -0.166 -4.868 0.998 1.00 34.22 H new ATOM 0 HB2 LEU A 3 -1.642 -4.532 -1.650 1.00 53.03 H new ATOM 0 HB3 LEU A 3 -0.102 -3.772 -1.300 1.00 53.03 H new ATOM 0 HG LEU A 3 -0.592 -6.767 -1.376 1.00 35.03 H new ATOM 0 HD11 LEU A 3 0.720 -6.712 -3.470 1.00 51.42 H new ATOM 0 HD12 LEU A 3 -0.777 -5.760 -3.603 1.00 51.42 H new ATOM 0 HD13 LEU A 3 0.784 -4.936 -3.376 1.00 51.42 H new ATOM 0 HD21 LEU A 3 1.872 -6.941 -1.303 1.00 45.31 H new ATOM 0 HD22 LEU A 3 1.985 -5.175 -1.117 1.00 45.31 H new ATOM 0 HD23 LEU A 3 1.221 -6.157 0.156 1.00 45.31 H new ATOM 53 N THR A 4 -0.875 -2.593 1.743 1.00 21.11 N ATOM 54 CA THR A 4 -1.213 -1.217 2.129 1.00 70.32 C ATOM 55 C THR A 4 -0.740 -0.216 1.066 1.00 54.10 C ATOM 56 O THR A 4 0.430 0.165 1.025 1.00 53.20 O ATOM 57 CB THR A 4 -0.607 -0.825 3.503 1.00 51.11 C ATOM 58 OG1 THR A 4 -1.162 -1.647 4.545 1.00 12.00 O ATOM 59 CG2 THR A 4 -0.868 0.644 3.829 1.00 12.14 C ATOM 0 H THR A 4 -0.078 -2.988 2.243 1.00 21.11 H new ATOM 0 HA THR A 4 -2.299 -1.179 2.211 1.00 70.32 H new ATOM 0 HB THR A 4 0.470 -0.982 3.443 1.00 51.11 H new ATOM 0 HG1 THR A 4 -0.771 -1.392 5.406 1.00 12.00 H new ATOM 0 HG21 THR A 4 -0.430 0.885 4.798 1.00 12.14 H new ATOM 0 HG22 THR A 4 -0.418 1.273 3.061 1.00 12.14 H new ATOM 0 HG23 THR A 4 -1.943 0.824 3.861 1.00 12.14 H new ATOM 67 N VAL A 5 -1.653 0.190 0.194 1.00 32.44 N ATOM 68 CA VAL A 5 -1.336 1.143 -0.877 1.00 4.44 C ATOM 69 C VAL A 5 -1.631 2.586 -0.442 1.00 44.24 C ATOM 70 O VAL A 5 -2.791 2.972 -0.313 1.00 74.25 O ATOM 71 CB VAL A 5 -2.139 0.825 -2.164 1.00 23.24 C ATOM 72 CG1 VAL A 5 -1.746 1.767 -3.303 1.00 54.41 C ATOM 73 CG2 VAL A 5 -1.948 -0.635 -2.574 1.00 0.10 C ATOM 0 H VAL A 5 -2.624 -0.123 0.202 1.00 32.44 H new ATOM 0 HA VAL A 5 -0.271 1.045 -1.087 1.00 4.44 H new ATOM 0 HB VAL A 5 -3.196 0.983 -1.950 1.00 23.24 H new ATOM 0 HG11 VAL A 5 -2.324 1.522 -4.194 1.00 54.41 H new ATOM 0 HG12 VAL A 5 -1.950 2.797 -3.010 1.00 54.41 H new ATOM 0 HG13 VAL A 5 -0.683 1.654 -3.518 1.00 54.41 H new ATOM 0 HG21 VAL A 5 -2.520 -0.836 -3.480 1.00 0.10 H new ATOM 0 HG22 VAL A 5 -0.891 -0.825 -2.763 1.00 0.10 H new ATOM 0 HG23 VAL A 5 -2.296 -1.287 -1.772 1.00 0.10 H new ATOM 83 N ASN A 6 -0.580 3.371 -0.198 1.00 32.43 N ATOM 84 CA ASN A 6 -0.734 4.783 0.198 1.00 45.50 C ATOM 85 C ASN A 6 -1.571 4.935 1.483 1.00 53.12 C ATOM 86 O ASN A 6 -2.322 5.903 1.641 1.00 41.31 O ATOM 87 CB ASN A 6 -1.377 5.589 -0.942 1.00 45.51 C ATOM 88 CG ASN A 6 -0.504 5.644 -2.182 1.00 35.44 C ATOM 89 OD1 ASN A 6 0.717 5.601 -2.098 1.00 13.41 O ATOM 90 ND2 ASN A 6 -1.122 5.747 -3.339 1.00 33.40 N ATOM 0 H ASN A 6 0.389 3.059 -0.266 1.00 32.43 H new ATOM 0 HA ASN A 6 0.263 5.172 0.403 1.00 45.50 H new ATOM 0 HB2 ASN A 6 -2.339 5.145 -1.199 1.00 45.51 H new ATOM 0 HB3 ASN A 6 -1.576 6.604 -0.597 1.00 45.51 H new ATOM 0 HD21 ASN A 6 -0.582 5.794 -4.203 1.00 33.40 H new ATOM 0 HD22 ASN A 6 -2.141 5.780 -3.372 1.00 33.40 H new ATOM 97 N GLY A 7 -1.422 3.988 2.405 1.00 62.44 N ATOM 98 CA GLY A 7 -2.187 4.021 3.650 1.00 65.44 C ATOM 99 C GLY A 7 -3.530 3.295 3.564 1.00 50.02 C ATOM 100 O GLY A 7 -4.299 3.287 4.524 1.00 0.01 O ATOM 0 H GLY A 7 -0.786 3.196 2.317 1.00 62.44 H new ATOM 0 HA2 GLY A 7 -1.591 3.572 4.445 1.00 65.44 H new ATOM 0 HA3 GLY A 7 -2.362 5.059 3.931 1.00 65.44 H new ATOM 104 N LYS A 8 -3.818 2.689 2.412 1.00 11.24 N ATOM 105 CA LYS A 8 -5.061 1.930 2.222 1.00 73.13 C ATOM 106 C LYS A 8 -4.865 0.443 2.565 1.00 4.35 C ATOM 107 O LYS A 8 -4.133 -0.263 1.869 1.00 41.50 O ATOM 108 CB LYS A 8 -5.543 2.056 0.771 1.00 1.13 C ATOM 109 CG LYS A 8 -5.828 3.491 0.330 1.00 13.33 C ATOM 110 CD LYS A 8 -6.185 3.566 -1.154 1.00 50.00 C ATOM 111 CE LYS A 8 -7.430 2.750 -1.487 1.00 30.41 C ATOM 112 NZ LYS A 8 -8.641 3.267 -0.794 1.00 24.03 N ATOM 0 H LYS A 8 -3.209 2.707 1.594 1.00 11.24 H new ATOM 0 HA LYS A 8 -5.810 2.347 2.896 1.00 73.13 H new ATOM 0 HB2 LYS A 8 -4.789 1.627 0.111 1.00 1.13 H new ATOM 0 HB3 LYS A 8 -6.449 1.463 0.648 1.00 1.13 H new ATOM 0 HG2 LYS A 8 -6.648 3.898 0.922 1.00 13.33 H new ATOM 0 HG3 LYS A 8 -4.954 4.112 0.526 1.00 13.33 H new ATOM 0 HD2 LYS A 8 -6.348 4.606 -1.435 1.00 50.00 H new ATOM 0 HD3 LYS A 8 -5.345 3.204 -1.747 1.00 50.00 H new ATOM 0 HE2 LYS A 8 -7.595 2.765 -2.564 1.00 30.41 H new ATOM 0 HE3 LYS A 8 -7.267 1.710 -1.204 1.00 30.41 H new ATOM 0 HZ1 LYS A 8 -9.481 2.760 -1.139 1.00 24.03 H new ATOM 0 HZ2 LYS A 8 -8.544 3.120 0.231 1.00 24.03 H new ATOM 0 HZ3 LYS A 8 -8.745 4.283 -0.989 1.00 24.03 H new ATOM 126 N PRO A 9 -5.519 -0.061 3.635 1.00 52.13 N ATOM 127 CA PRO A 9 -5.423 -1.479 4.028 1.00 35.22 C ATOM 128 C PRO A 9 -6.211 -2.399 3.080 1.00 74.12 C ATOM 129 O PRO A 9 -7.193 -3.036 3.472 1.00 53.42 O ATOM 130 CB PRO A 9 -6.034 -1.488 5.437 1.00 62.22 C ATOM 131 CG PRO A 9 -7.006 -0.358 5.427 1.00 21.04 C ATOM 132 CD PRO A 9 -6.399 0.703 4.541 1.00 51.23 C ATOM 0 HA PRO A 9 -4.400 -1.854 3.992 1.00 35.22 H new ATOM 0 HB2 PRO A 9 -6.529 -2.436 5.649 1.00 62.22 H new ATOM 0 HB3 PRO A 9 -5.270 -1.348 6.202 1.00 62.22 H new ATOM 0 HG2 PRO A 9 -7.975 -0.679 5.044 1.00 21.04 H new ATOM 0 HG3 PRO A 9 -7.172 0.023 6.435 1.00 21.04 H new ATOM 0 HD2 PRO A 9 -7.164 1.250 3.990 1.00 51.23 H new ATOM 0 HD3 PRO A 9 -5.838 1.436 5.121 1.00 51.23 H new ATOM 140 N SER A 10 -5.768 -2.467 1.830 1.00 22.22 N ATOM 141 CA SER A 10 -6.475 -3.228 0.794 1.00 41.12 C ATOM 142 C SER A 10 -5.787 -4.567 0.507 1.00 15.10 C ATOM 143 O SER A 10 -4.735 -4.880 1.062 1.00 71.15 O ATOM 144 CB SER A 10 -6.560 -2.409 -0.504 1.00 34.44 C ATOM 145 OG SER A 10 -7.282 -3.110 -1.511 1.00 61.32 O ATOM 0 H SER A 10 -4.920 -2.004 1.504 1.00 22.22 H new ATOM 0 HA SER A 10 -7.479 -3.432 1.167 1.00 41.12 H new ATOM 0 HB2 SER A 10 -7.046 -1.454 -0.303 1.00 34.44 H new ATOM 0 HB3 SER A 10 -5.555 -2.186 -0.862 1.00 34.44 H new ATOM 0 HG SER A 10 -7.322 -2.565 -2.324 1.00 61.32 H new ATOM 151 N THR A 11 -6.395 -5.354 -0.370 1.00 74.40 N ATOM 152 CA THR A 11 -5.840 -6.645 -0.777 1.00 42.11 C ATOM 153 C THR A 11 -6.220 -6.981 -2.217 1.00 14.04 C ATOM 154 O THR A 11 -7.369 -6.802 -2.631 1.00 43.53 O ATOM 155 CB THR A 11 -6.302 -7.801 0.147 1.00 32.11 C ATOM 156 OG1 THR A 11 -5.817 -9.056 -0.359 1.00 34.34 O ATOM 157 CG2 THR A 11 -7.823 -7.845 0.270 1.00 32.50 C ATOM 0 H THR A 11 -7.281 -5.121 -0.819 1.00 74.40 H new ATOM 0 HA THR A 11 -4.757 -6.548 -0.696 1.00 42.11 H new ATOM 0 HB THR A 11 -5.889 -7.622 1.140 1.00 32.11 H new ATOM 0 HG1 THR A 11 -6.111 -9.782 0.230 1.00 34.34 H new ATOM 0 HG21 THR A 11 -8.111 -8.667 0.925 1.00 32.50 H new ATOM 0 HG22 THR A 11 -8.182 -6.905 0.689 1.00 32.50 H new ATOM 0 HG23 THR A 11 -8.264 -7.995 -0.716 1.00 32.50 H new ATOM 165 N VAL A 12 -5.246 -7.437 -2.989 1.00 5.21 N ATOM 166 CA VAL A 12 -5.505 -7.908 -4.346 1.00 43.14 C ATOM 167 C VAL A 12 -5.928 -9.384 -4.318 1.00 33.22 C ATOM 168 O VAL A 12 -5.178 -10.246 -3.852 1.00 10.50 O ATOM 169 CB VAL A 12 -4.270 -7.711 -5.267 1.00 71.14 C ATOM 170 CG1 VAL A 12 -4.023 -6.224 -5.521 1.00 15.20 C ATOM 171 CG2 VAL A 12 -3.026 -8.359 -4.665 1.00 12.30 C ATOM 0 H VAL A 12 -4.269 -7.492 -2.702 1.00 5.21 H new ATOM 0 HA VAL A 12 -6.318 -7.311 -4.760 1.00 43.14 H new ATOM 0 HB VAL A 12 -4.480 -8.199 -6.219 1.00 71.14 H new ATOM 0 HG11 VAL A 12 -3.154 -6.105 -6.168 1.00 15.20 H new ATOM 0 HG12 VAL A 12 -4.897 -5.787 -6.003 1.00 15.20 H new ATOM 0 HG13 VAL A 12 -3.841 -5.718 -4.573 1.00 15.20 H new ATOM 0 HG21 VAL A 12 -2.177 -8.205 -5.331 1.00 12.30 H new ATOM 0 HG22 VAL A 12 -2.813 -7.907 -3.696 1.00 12.30 H new ATOM 0 HG23 VAL A 12 -3.198 -9.428 -4.537 1.00 12.30 H new ATOM 181 N ASP A 13 -7.143 -9.658 -4.795 1.00 52.44 N ATOM 182 CA ASP A 13 -7.723 -11.006 -4.750 1.00 0.41 C ATOM 183 C ASP A 13 -6.751 -12.065 -5.300 1.00 62.12 C ATOM 184 O ASP A 13 -6.454 -12.099 -6.500 1.00 72.53 O ATOM 185 CB ASP A 13 -9.041 -11.021 -5.533 1.00 22.51 C ATOM 186 CG ASP A 13 -9.779 -12.346 -5.421 1.00 33.34 C ATOM 187 OD1 ASP A 13 -10.436 -12.582 -4.387 1.00 52.30 O ATOM 188 OD2 ASP A 13 -9.713 -13.155 -6.368 1.00 13.31 O ATOM 0 H ASP A 13 -7.751 -8.959 -5.221 1.00 52.44 H new ATOM 0 HA ASP A 13 -7.916 -11.261 -3.708 1.00 0.41 H new ATOM 0 HB2 ASP A 13 -9.684 -10.220 -5.168 1.00 22.51 H new ATOM 0 HB3 ASP A 13 -8.837 -10.812 -6.583 1.00 22.51 H new ATOM 193 N GLY A 14 -6.256 -12.917 -4.409 1.00 3.10 N ATOM 194 CA GLY A 14 -5.268 -13.916 -4.781 1.00 14.10 C ATOM 195 C GLY A 14 -3.896 -13.314 -5.080 1.00 42.41 C ATOM 196 O GLY A 14 -3.192 -12.866 -4.170 1.00 23.53 O ATOM 0 H GLY A 14 -6.524 -12.934 -3.425 1.00 3.10 H new ATOM 0 HA2 GLY A 14 -5.172 -14.643 -3.974 1.00 14.10 H new ATOM 0 HA3 GLY A 14 -5.620 -14.458 -5.658 1.00 14.10 H new ATOM 200 N ALA A 15 -3.534 -13.292 -6.365 1.00 23.42 N ATOM 201 CA ALA A 15 -2.229 -12.792 -6.819 1.00 13.31 C ATOM 202 C ALA A 15 -1.068 -13.634 -6.261 1.00 4.22 C ATOM 203 O ALA A 15 -0.567 -13.386 -5.160 1.00 73.40 O ATOM 204 CB ALA A 15 -2.053 -11.318 -6.459 1.00 51.44 C ATOM 0 H ALA A 15 -4.135 -13.619 -7.121 1.00 23.42 H new ATOM 0 HA ALA A 15 -2.207 -12.885 -7.905 1.00 13.31 H new ATOM 0 HB1 ALA A 15 -1.079 -10.972 -6.806 1.00 51.44 H new ATOM 0 HB2 ALA A 15 -2.838 -10.731 -6.936 1.00 51.44 H new ATOM 0 HB3 ALA A 15 -2.116 -11.198 -5.378 1.00 51.44 H new ATOM 210 N GLU A 16 -0.648 -14.637 -7.025 1.00 24.43 N ATOM 211 CA GLU A 16 0.436 -15.527 -6.612 1.00 63.14 C ATOM 212 C GLU A 16 1.806 -14.874 -6.854 1.00 73.24 C ATOM 213 O GLU A 16 2.426 -15.063 -7.902 1.00 43.44 O ATOM 214 CB GLU A 16 0.324 -16.868 -7.351 1.00 64.31 C ATOM 215 CG GLU A 16 1.386 -17.891 -6.961 1.00 74.15 C ATOM 216 CD GLU A 16 1.132 -19.259 -7.575 1.00 34.21 C ATOM 217 OE1 GLU A 16 1.078 -19.359 -8.820 1.00 73.02 O ATOM 218 OE2 GLU A 16 0.988 -20.241 -6.817 1.00 11.30 O ATOM 0 H GLU A 16 -1.043 -14.856 -7.939 1.00 24.43 H new ATOM 0 HA GLU A 16 0.346 -15.713 -5.542 1.00 63.14 H new ATOM 0 HB2 GLU A 16 -0.661 -17.294 -7.160 1.00 64.31 H new ATOM 0 HB3 GLU A 16 0.389 -16.685 -8.424 1.00 64.31 H new ATOM 0 HG2 GLU A 16 2.365 -17.531 -7.277 1.00 74.15 H new ATOM 0 HG3 GLU A 16 1.415 -17.984 -5.875 1.00 74.15 H new ATOM 225 N SER A 17 2.225 -14.062 -5.882 1.00 22.43 N ATOM 226 CA SER A 17 3.540 -13.379 -5.877 1.00 10.34 C ATOM 227 C SER A 17 3.711 -12.416 -7.066 1.00 50.53 C ATOM 228 O SER A 17 3.772 -12.831 -8.225 1.00 44.13 O ATOM 229 CB SER A 17 4.712 -14.383 -5.839 1.00 1.21 C ATOM 230 OG SER A 17 4.887 -15.058 -7.077 1.00 12.54 O ATOM 0 H SER A 17 1.660 -13.851 -5.060 1.00 22.43 H new ATOM 0 HA SER A 17 3.561 -12.787 -4.962 1.00 10.34 H new ATOM 0 HB2 SER A 17 5.631 -13.855 -5.583 1.00 1.21 H new ATOM 0 HB3 SER A 17 4.535 -15.115 -5.051 1.00 1.21 H new ATOM 0 HG SER A 17 4.165 -14.809 -7.690 1.00 12.54 H new ATOM 236 N LEU A 18 3.801 -11.121 -6.771 1.00 33.43 N ATOM 237 CA LEU A 18 3.961 -10.092 -7.808 1.00 55.45 C ATOM 238 C LEU A 18 5.113 -9.138 -7.463 1.00 74.44 C ATOM 239 O LEU A 18 5.199 -8.639 -6.343 1.00 63.20 O ATOM 240 CB LEU A 18 2.663 -9.283 -7.971 1.00 60.22 C ATOM 241 CG LEU A 18 1.419 -10.084 -8.400 1.00 24.21 C ATOM 242 CD1 LEU A 18 0.196 -9.174 -8.472 1.00 44.32 C ATOM 243 CD2 LEU A 18 1.652 -10.782 -9.739 1.00 41.14 C ATOM 0 H LEU A 18 3.766 -10.754 -5.820 1.00 33.43 H new ATOM 0 HA LEU A 18 4.191 -10.600 -8.745 1.00 55.45 H new ATOM 0 HB2 LEU A 18 2.444 -8.789 -7.024 1.00 60.22 H new ATOM 0 HB3 LEU A 18 2.837 -8.498 -8.707 1.00 60.22 H new ATOM 0 HG LEU A 18 1.234 -10.852 -7.649 1.00 24.21 H new ATOM 0 HD11 LEU A 18 -0.674 -9.756 -8.777 1.00 44.32 H new ATOM 0 HD12 LEU A 18 0.012 -8.733 -7.492 1.00 44.32 H new ATOM 0 HD13 LEU A 18 0.374 -8.382 -9.199 1.00 44.32 H new ATOM 0 HD21 LEU A 18 0.759 -11.340 -10.019 1.00 41.14 H new ATOM 0 HD22 LEU A 18 1.869 -10.037 -10.505 1.00 41.14 H new ATOM 0 HD23 LEU A 18 2.495 -11.467 -9.650 1.00 41.14 H new ATOM 255 N ASN A 19 5.999 -8.884 -8.422 1.00 62.22 N ATOM 256 CA ASN A 19 7.091 -7.927 -8.217 1.00 33.22 C ATOM 257 C ASN A 19 6.584 -6.488 -8.407 1.00 75.23 C ATOM 258 O ASN A 19 5.447 -6.280 -8.838 1.00 45.24 O ATOM 259 CB ASN A 19 8.257 -8.226 -9.174 1.00 2.32 C ATOM 260 CG ASN A 19 7.891 -8.040 -10.635 1.00 1.24 C ATOM 261 OD1 ASN A 19 6.732 -8.132 -11.022 1.00 11.21 O ATOM 262 ND2 ASN A 19 8.883 -7.794 -11.462 1.00 65.34 N ATOM 0 H ASN A 19 5.986 -9.322 -9.343 1.00 62.22 H new ATOM 0 HA ASN A 19 7.456 -8.030 -7.195 1.00 33.22 H new ATOM 0 HB2 ASN A 19 9.096 -7.574 -8.930 1.00 2.32 H new ATOM 0 HB3 ASN A 19 8.594 -9.251 -9.018 1.00 2.32 H new ATOM 0 HD21 ASN A 19 8.699 -7.674 -12.458 1.00 65.34 H new ATOM 0 HD22 ASN A 19 9.837 -7.723 -11.108 1.00 65.34 H new ATOM 269 N VAL A 20 7.419 -5.500 -8.091 1.00 60.44 N ATOM 270 CA VAL A 20 7.013 -4.094 -8.212 1.00 74.21 C ATOM 271 C VAL A 20 6.550 -3.771 -9.643 1.00 43.41 C ATOM 272 O VAL A 20 5.587 -3.031 -9.840 1.00 62.35 O ATOM 273 CB VAL A 20 8.146 -3.124 -7.791 1.00 5.12 C ATOM 274 CG1 VAL A 20 7.660 -1.678 -7.825 1.00 44.32 C ATOM 275 CG2 VAL A 20 8.675 -3.489 -6.404 1.00 0.44 C ATOM 0 H VAL A 20 8.371 -5.640 -7.753 1.00 60.44 H new ATOM 0 HA VAL A 20 6.176 -3.950 -7.529 1.00 74.21 H new ATOM 0 HB VAL A 20 8.964 -3.221 -8.505 1.00 5.12 H new ATOM 0 HG11 VAL A 20 8.471 -1.014 -7.526 1.00 44.32 H new ATOM 0 HG12 VAL A 20 7.339 -1.426 -8.836 1.00 44.32 H new ATOM 0 HG13 VAL A 20 6.822 -1.559 -7.138 1.00 44.32 H new ATOM 0 HG21 VAL A 20 9.470 -2.798 -6.124 1.00 0.44 H new ATOM 0 HG22 VAL A 20 7.865 -3.424 -5.677 1.00 0.44 H new ATOM 0 HG23 VAL A 20 9.067 -4.506 -6.420 1.00 0.44 H new ATOM 285 N THR A 21 7.226 -4.351 -10.637 1.00 32.11 N ATOM 286 CA THR A 21 6.809 -4.214 -12.041 1.00 0.42 C ATOM 287 C THR A 21 5.352 -4.672 -12.234 1.00 61.33 C ATOM 288 O THR A 21 4.551 -3.983 -12.868 1.00 71.23 O ATOM 289 CB THR A 21 7.724 -5.027 -12.991 1.00 55.13 C ATOM 290 OG1 THR A 21 9.090 -4.617 -12.834 1.00 54.31 O ATOM 291 CG2 THR A 21 7.310 -4.849 -14.450 1.00 41.24 C ATOM 0 H THR A 21 8.062 -4.919 -10.500 1.00 32.11 H new ATOM 0 HA THR A 21 6.893 -3.156 -12.291 1.00 0.42 H new ATOM 0 HB THR A 21 7.621 -6.079 -12.727 1.00 55.13 H new ATOM 0 HG1 THR A 21 9.563 -4.722 -13.686 1.00 54.31 H new ATOM 0 HG21 THR A 21 7.972 -5.432 -15.090 1.00 41.24 H new ATOM 0 HG22 THR A 21 6.284 -5.192 -14.581 1.00 41.24 H new ATOM 0 HG23 THR A 21 7.378 -3.796 -14.722 1.00 41.24 H new ATOM 299 N GLU A 22 5.009 -5.832 -11.672 1.00 42.05 N ATOM 300 CA GLU A 22 3.637 -6.352 -11.744 1.00 32.30 C ATOM 301 C GLU A 22 2.649 -5.491 -10.947 1.00 1.43 C ATOM 302 O GLU A 22 1.472 -5.415 -11.290 1.00 4.33 O ATOM 303 CB GLU A 22 3.578 -7.811 -11.266 1.00 23.45 C ATOM 304 CG GLU A 22 3.723 -8.830 -12.391 1.00 52.05 C ATOM 305 CD GLU A 22 2.583 -8.737 -13.397 1.00 5.11 C ATOM 306 OE1 GLU A 22 1.516 -9.344 -13.154 1.00 51.31 O ATOM 307 OE2 GLU A 22 2.737 -8.040 -14.423 1.00 12.40 O ATOM 0 H GLU A 22 5.659 -6.430 -11.162 1.00 42.05 H new ATOM 0 HA GLU A 22 3.338 -6.311 -12.791 1.00 32.30 H new ATOM 0 HB2 GLU A 22 4.368 -7.976 -10.534 1.00 23.45 H new ATOM 0 HB3 GLU A 22 2.630 -7.979 -10.755 1.00 23.45 H new ATOM 0 HG2 GLU A 22 4.672 -8.672 -12.903 1.00 52.05 H new ATOM 0 HG3 GLU A 22 3.752 -9.834 -11.969 1.00 52.05 H new ATOM 314 N LEU A 23 3.117 -4.853 -9.882 1.00 13.10 N ATOM 315 CA LEU A 23 2.276 -3.915 -9.134 1.00 32.23 C ATOM 316 C LEU A 23 1.980 -2.670 -9.983 1.00 42.20 C ATOM 317 O LEU A 23 0.873 -2.127 -9.953 1.00 11.22 O ATOM 318 CB LEU A 23 2.951 -3.514 -7.816 1.00 61.21 C ATOM 319 CG LEU A 23 3.236 -4.671 -6.843 1.00 32.22 C ATOM 320 CD1 LEU A 23 3.856 -4.145 -5.551 1.00 42.24 C ATOM 321 CD2 LEU A 23 1.964 -5.467 -6.553 1.00 3.50 C ATOM 0 H LEU A 23 4.063 -4.963 -9.516 1.00 13.10 H new ATOM 0 HA LEU A 23 1.334 -4.410 -8.900 1.00 32.23 H new ATOM 0 HB2 LEU A 23 3.892 -3.015 -8.046 1.00 61.21 H new ATOM 0 HB3 LEU A 23 2.319 -2.784 -7.311 1.00 61.21 H new ATOM 0 HG LEU A 23 3.951 -5.345 -7.315 1.00 32.22 H new ATOM 0 HD11 LEU A 23 4.050 -4.978 -4.875 1.00 42.24 H new ATOM 0 HD12 LEU A 23 4.793 -3.636 -5.778 1.00 42.24 H new ATOM 0 HD13 LEU A 23 3.168 -3.445 -5.076 1.00 42.24 H new ATOM 0 HD21 LEU A 23 2.192 -6.279 -5.863 1.00 3.50 H new ATOM 0 HD22 LEU A 23 1.218 -4.810 -6.106 1.00 3.50 H new ATOM 0 HD23 LEU A 23 1.573 -5.880 -7.483 1.00 3.50 H new ATOM 333 N LEU A 24 2.976 -2.235 -10.756 1.00 12.24 N ATOM 334 CA LEU A 24 2.815 -1.110 -11.684 1.00 21.22 C ATOM 335 C LEU A 24 1.787 -1.434 -12.782 1.00 1.01 C ATOM 336 O LEU A 24 1.008 -0.571 -13.197 1.00 75.24 O ATOM 337 CB LEU A 24 4.164 -0.755 -12.325 1.00 41.21 C ATOM 338 CG LEU A 24 5.271 -0.342 -11.341 1.00 43.43 C ATOM 339 CD1 LEU A 24 6.584 -0.089 -12.073 1.00 53.31 C ATOM 340 CD2 LEU A 24 4.851 0.891 -10.544 1.00 51.21 C ATOM 0 H LEU A 24 3.909 -2.647 -10.759 1.00 12.24 H new ATOM 0 HA LEU A 24 2.449 -0.257 -11.114 1.00 21.22 H new ATOM 0 HB2 LEU A 24 4.512 -1.614 -12.898 1.00 41.21 H new ATOM 0 HB3 LEU A 24 4.008 0.059 -13.033 1.00 41.21 H new ATOM 0 HG LEU A 24 5.427 -1.164 -10.643 1.00 43.43 H new ATOM 0 HD11 LEU A 24 7.351 0.202 -11.355 1.00 53.31 H new ATOM 0 HD12 LEU A 24 6.895 -0.998 -12.588 1.00 53.31 H new ATOM 0 HD13 LEU A 24 6.447 0.711 -12.801 1.00 53.31 H new ATOM 0 HD21 LEU A 24 5.648 1.167 -9.854 1.00 51.21 H new ATOM 0 HD22 LEU A 24 4.660 1.718 -11.227 1.00 51.21 H new ATOM 0 HD23 LEU A 24 3.944 0.669 -9.981 1.00 51.21 H new ATOM 352 N SER A 25 1.791 -2.683 -13.249 1.00 64.04 N ATOM 353 CA SER A 25 0.826 -3.141 -14.260 1.00 52.11 C ATOM 354 C SER A 25 -0.555 -3.391 -13.634 1.00 22.21 C ATOM 355 O SER A 25 -1.586 -3.089 -14.240 1.00 32.41 O ATOM 356 CB SER A 25 1.325 -4.422 -14.945 1.00 43.42 C ATOM 357 OG SER A 25 1.410 -5.499 -14.026 1.00 62.01 O ATOM 0 H SER A 25 2.451 -3.399 -12.946 1.00 64.04 H new ATOM 0 HA SER A 25 0.731 -2.352 -15.007 1.00 52.11 H new ATOM 0 HB2 SER A 25 0.650 -4.688 -15.759 1.00 43.42 H new ATOM 0 HB3 SER A 25 2.304 -4.242 -15.389 1.00 43.42 H new ATOM 0 HG SER A 25 1.510 -5.146 -13.117 1.00 62.01 H new ATOM 363 N ALA A 26 -0.569 -3.934 -12.415 1.00 54.33 N ATOM 364 CA ALA A 26 -1.819 -4.178 -11.678 1.00 43.52 C ATOM 365 C ALA A 26 -2.593 -2.873 -11.440 1.00 4.45 C ATOM 366 O ALA A 26 -3.808 -2.809 -11.640 1.00 13.41 O ATOM 367 CB ALA A 26 -1.526 -4.870 -10.351 1.00 13.03 C ATOM 0 H ALA A 26 0.273 -4.215 -11.912 1.00 54.33 H new ATOM 0 HA ALA A 26 -2.444 -4.831 -12.287 1.00 43.52 H new ATOM 0 HB1 ALA A 26 -2.460 -5.044 -9.817 1.00 13.03 H new ATOM 0 HB2 ALA A 26 -1.033 -5.824 -10.539 1.00 13.03 H new ATOM 0 HB3 ALA A 26 -0.875 -4.238 -9.747 1.00 13.03 H new ATOM 373 N LEU A 27 -1.878 -1.839 -11.001 1.00 70.23 N ATOM 374 CA LEU A 27 -2.461 -0.501 -10.830 1.00 51.42 C ATOM 375 C LEU A 27 -2.538 0.230 -12.183 1.00 44.24 C ATOM 376 O LEU A 27 -3.266 1.213 -12.339 1.00 44.41 O ATOM 377 CB LEU A 27 -1.617 0.299 -9.830 1.00 50.31 C ATOM 378 CG LEU A 27 -1.474 -0.352 -8.441 1.00 62.10 C ATOM 379 CD1 LEU A 27 -0.470 0.409 -7.582 1.00 43.33 C ATOM 380 CD2 LEU A 27 -2.830 -0.444 -7.740 1.00 22.32 C ATOM 0 H LEU A 27 -0.890 -1.898 -10.755 1.00 70.23 H new ATOM 0 HA LEU A 27 -3.475 -0.598 -10.442 1.00 51.42 H new ATOM 0 HB2 LEU A 27 -0.622 0.446 -10.251 1.00 50.31 H new ATOM 0 HB3 LEU A 27 -2.061 1.287 -9.709 1.00 50.31 H new ATOM 0 HG LEU A 27 -1.097 -1.365 -8.582 1.00 62.10 H new ATOM 0 HD11 LEU A 27 -0.388 -0.071 -6.607 1.00 43.33 H new ATOM 0 HD12 LEU A 27 0.504 0.406 -8.071 1.00 43.33 H new ATOM 0 HD13 LEU A 27 -0.807 1.437 -7.453 1.00 43.33 H new ATOM 0 HD21 LEU A 27 -2.703 -0.907 -6.761 1.00 22.32 H new ATOM 0 HD22 LEU A 27 -3.245 0.557 -7.617 1.00 22.32 H new ATOM 0 HD23 LEU A 27 -3.510 -1.047 -8.341 1.00 22.32 H new ATOM 392 N LYS A 28 -1.762 -0.271 -13.144 1.00 73.42 N ATOM 393 CA LYS A 28 -1.771 0.206 -14.532 1.00 44.32 C ATOM 394 C LYS A 28 -1.238 1.643 -14.671 1.00 5.40 C ATOM 395 O LYS A 28 -2.001 2.613 -14.702 1.00 2.00 O ATOM 396 CB LYS A 28 -3.175 0.077 -15.148 1.00 62.11 C ATOM 397 CG LYS A 28 -3.211 0.288 -16.660 1.00 53.13 C ATOM 398 CD LYS A 28 -2.316 -0.715 -17.386 1.00 22.50 C ATOM 399 CE LYS A 28 -2.258 -0.453 -18.885 1.00 10.21 C ATOM 400 NZ LYS A 28 -1.271 -1.337 -19.562 1.00 23.23 N ATOM 0 H LYS A 28 -1.100 -1.030 -12.981 1.00 73.42 H new ATOM 0 HA LYS A 28 -1.087 -0.435 -15.088 1.00 44.32 H new ATOM 0 HB2 LYS A 28 -3.571 -0.912 -14.920 1.00 62.11 H new ATOM 0 HB3 LYS A 28 -3.837 0.802 -14.674 1.00 62.11 H new ATOM 0 HG2 LYS A 28 -4.236 0.189 -17.018 1.00 53.13 H new ATOM 0 HG3 LYS A 28 -2.888 1.302 -16.895 1.00 53.13 H new ATOM 0 HD2 LYS A 28 -1.309 -0.668 -16.971 1.00 22.50 H new ATOM 0 HD3 LYS A 28 -2.687 -1.725 -17.209 1.00 22.50 H new ATOM 0 HE2 LYS A 28 -3.245 -0.610 -19.320 1.00 10.21 H new ATOM 0 HE3 LYS A 28 -1.994 0.590 -19.062 1.00 10.21 H new ATOM 0 HZ1 LYS A 28 -1.260 -1.129 -20.581 1.00 23.23 H new ATOM 0 HZ2 LYS A 28 -0.325 -1.169 -19.164 1.00 23.23 H new ATOM 0 HZ3 LYS A 28 -1.537 -2.331 -19.415 1.00 23.23 H new ATOM 414 N VAL A 29 0.084 1.771 -14.722 1.00 21.15 N ATOM 415 CA VAL A 29 0.733 3.053 -15.018 1.00 53.12 C ATOM 416 C VAL A 29 1.060 3.166 -16.519 1.00 64.13 C ATOM 417 O VAL A 29 1.437 2.179 -17.158 1.00 53.44 O ATOM 418 CB VAL A 29 2.031 3.236 -14.186 1.00 44.24 C ATOM 419 CG1 VAL A 29 3.048 2.144 -14.508 1.00 51.32 C ATOM 420 CG2 VAL A 29 2.631 4.623 -14.413 1.00 55.41 C ATOM 0 H VAL A 29 0.734 1.001 -14.562 1.00 21.15 H new ATOM 0 HA VAL A 29 0.033 3.842 -14.744 1.00 53.12 H new ATOM 0 HB VAL A 29 1.769 3.148 -13.132 1.00 44.24 H new ATOM 0 HG11 VAL A 29 3.947 2.297 -13.911 1.00 51.32 H new ATOM 0 HG12 VAL A 29 2.620 1.169 -14.276 1.00 51.32 H new ATOM 0 HG13 VAL A 29 3.304 2.186 -15.567 1.00 51.32 H new ATOM 0 HG21 VAL A 29 3.539 4.728 -13.820 1.00 55.41 H new ATOM 0 HG22 VAL A 29 2.871 4.747 -15.469 1.00 55.41 H new ATOM 0 HG23 VAL A 29 1.911 5.384 -14.112 1.00 55.41 H new ATOM 430 N ALA A 30 0.909 4.366 -17.082 1.00 60.05 N ATOM 431 CA ALA A 30 1.176 4.591 -18.508 1.00 25.41 C ATOM 432 C ALA A 30 2.668 4.858 -18.773 1.00 23.31 C ATOM 433 O ALA A 30 3.240 4.343 -19.736 1.00 11.12 O ATOM 434 CB ALA A 30 0.328 5.744 -19.032 1.00 25.33 C ATOM 0 H ALA A 30 0.604 5.197 -16.575 1.00 60.05 H new ATOM 0 HA ALA A 30 0.905 3.680 -19.042 1.00 25.41 H new ATOM 0 HB1 ALA A 30 0.538 5.898 -20.090 1.00 25.33 H new ATOM 0 HB2 ALA A 30 -0.728 5.507 -18.902 1.00 25.33 H new ATOM 0 HB3 ALA A 30 0.567 6.652 -18.479 1.00 25.33 H new ATOM 440 N GLN A 31 3.291 5.671 -17.922 1.00 54.01 N ATOM 441 CA GLN A 31 4.725 5.958 -18.041 1.00 25.23 C ATOM 442 C GLN A 31 5.562 4.919 -17.276 1.00 33.50 C ATOM 443 O GLN A 31 6.074 5.190 -16.190 1.00 52.32 O ATOM 444 CB GLN A 31 5.045 7.373 -17.532 1.00 0.35 C ATOM 445 CG GLN A 31 4.392 8.497 -18.334 1.00 45.30 C ATOM 446 CD GLN A 31 4.752 8.462 -19.812 1.00 24.23 C ATOM 447 OE1 GLN A 31 5.809 7.973 -20.201 1.00 13.11 O ATOM 448 NE2 GLN A 31 3.889 9.004 -20.647 1.00 42.25 N ATOM 0 H GLN A 31 2.830 6.143 -17.144 1.00 54.01 H new ATOM 0 HA GLN A 31 4.986 5.901 -19.098 1.00 25.23 H new ATOM 0 HB2 GLN A 31 4.726 7.452 -16.493 1.00 0.35 H new ATOM 0 HB3 GLN A 31 6.126 7.515 -17.545 1.00 0.35 H new ATOM 0 HG2 GLN A 31 3.309 8.429 -18.228 1.00 45.30 H new ATOM 0 HG3 GLN A 31 4.694 9.457 -17.915 1.00 45.30 H new ATOM 0 HE21 GLN A 31 3.019 9.402 -20.294 1.00 42.25 H new ATOM 0 HE22 GLN A 31 4.091 9.025 -21.647 1.00 42.25 H new ATOM 457 N ALA A 32 5.703 3.732 -17.860 1.00 61.12 N ATOM 458 CA ALA A 32 6.416 2.620 -17.212 1.00 13.41 C ATOM 459 C ALA A 32 7.912 2.919 -17.022 1.00 12.31 C ATOM 460 O ALA A 32 8.562 2.346 -16.149 1.00 33.53 O ATOM 461 CB ALA A 32 6.235 1.343 -18.025 1.00 4.50 C ATOM 0 H ALA A 32 5.334 3.509 -18.784 1.00 61.12 H new ATOM 0 HA ALA A 32 5.984 2.488 -16.220 1.00 13.41 H new ATOM 0 HB1 ALA A 32 6.766 0.524 -17.539 1.00 4.50 H new ATOM 0 HB2 ALA A 32 5.174 1.100 -18.090 1.00 4.50 H new ATOM 0 HB3 ALA A 32 6.635 1.490 -19.028 1.00 4.50 H new ATOM 467 N GLU A 33 8.447 3.819 -17.845 1.00 12.42 N ATOM 468 CA GLU A 33 9.871 4.179 -17.789 1.00 34.55 C ATOM 469 C GLU A 33 10.128 5.406 -16.893 1.00 24.40 C ATOM 470 O GLU A 33 11.277 5.750 -16.613 1.00 41.44 O ATOM 471 CB GLU A 33 10.388 4.465 -19.207 1.00 32.13 C ATOM 472 CG GLU A 33 10.234 3.296 -20.177 1.00 22.01 C ATOM 473 CD GLU A 33 11.097 2.102 -19.804 1.00 5.44 C ATOM 474 OE1 GLU A 33 12.336 2.257 -19.755 1.00 33.22 O ATOM 475 OE2 GLU A 33 10.547 1.003 -19.575 1.00 51.43 O ATOM 0 H GLU A 33 7.918 4.316 -18.562 1.00 12.42 H new ATOM 0 HA GLU A 33 10.404 3.334 -17.354 1.00 34.55 H new ATOM 0 HB2 GLU A 33 9.856 5.328 -19.608 1.00 32.13 H new ATOM 0 HB3 GLU A 33 11.442 4.738 -19.149 1.00 32.13 H new ATOM 0 HG2 GLU A 33 9.189 2.988 -20.204 1.00 22.01 H new ATOM 0 HG3 GLU A 33 10.495 3.627 -21.182 1.00 22.01 H new ATOM 482 N TYR A 34 9.056 6.070 -16.453 1.00 23.23 N ATOM 483 CA TYR A 34 9.179 7.314 -15.669 1.00 71.22 C ATOM 484 C TYR A 34 8.402 7.240 -14.344 1.00 31.42 C ATOM 485 O TYR A 34 8.319 8.225 -13.608 1.00 2.33 O ATOM 486 CB TYR A 34 8.662 8.507 -16.490 1.00 14.34 C ATOM 487 CG TYR A 34 9.239 8.586 -17.892 1.00 30.20 C ATOM 488 CD1 TYR A 34 8.641 7.903 -18.945 1.00 24.33 C ATOM 489 CD2 TYR A 34 10.376 9.339 -18.162 1.00 52.13 C ATOM 490 CE1 TYR A 34 9.158 7.964 -20.223 1.00 54.50 C ATOM 491 CE2 TYR A 34 10.900 9.406 -19.441 1.00 12.24 C ATOM 492 CZ TYR A 34 10.286 8.718 -20.467 1.00 53.21 C ATOM 493 OH TYR A 34 10.797 8.784 -21.744 1.00 43.23 O ATOM 0 H TYR A 34 8.095 5.773 -16.622 1.00 23.23 H new ATOM 0 HA TYR A 34 10.236 7.446 -15.436 1.00 71.22 H new ATOM 0 HB2 TYR A 34 7.576 8.445 -16.558 1.00 14.34 H new ATOM 0 HB3 TYR A 34 8.896 9.430 -15.959 1.00 14.34 H new ATOM 0 HD1 TYR A 34 7.755 7.314 -18.759 1.00 24.33 H new ATOM 0 HD2 TYR A 34 10.858 9.880 -17.361 1.00 52.13 H new ATOM 0 HE1 TYR A 34 8.681 7.424 -21.028 1.00 54.50 H new ATOM 0 HE2 TYR A 34 11.785 9.994 -19.635 1.00 12.24 H new ATOM 0 HH TYR A 34 11.592 9.357 -21.749 1.00 43.23 H new ATOM 503 N VAL A 35 7.831 6.076 -14.051 1.00 1.12 N ATOM 504 CA VAL A 35 7.018 5.898 -12.844 1.00 71.33 C ATOM 505 C VAL A 35 7.862 5.962 -11.555 1.00 22.11 C ATOM 506 O VAL A 35 8.899 5.307 -11.432 1.00 2.11 O ATOM 507 CB VAL A 35 6.229 4.559 -12.890 1.00 14.52 C ATOM 508 CG1 VAL A 35 7.174 3.369 -13.042 1.00 33.15 C ATOM 509 CG2 VAL A 35 5.343 4.406 -11.653 1.00 24.21 C ATOM 0 H VAL A 35 7.914 5.240 -14.630 1.00 1.12 H new ATOM 0 HA VAL A 35 6.312 6.728 -12.824 1.00 71.33 H new ATOM 0 HB VAL A 35 5.581 4.580 -13.766 1.00 14.52 H new ATOM 0 HG11 VAL A 35 6.595 2.446 -13.071 1.00 33.15 H new ATOM 0 HG12 VAL A 35 7.742 3.471 -13.967 1.00 33.15 H new ATOM 0 HG13 VAL A 35 7.861 3.340 -12.196 1.00 33.15 H new ATOM 0 HG21 VAL A 35 4.801 3.462 -11.708 1.00 24.21 H new ATOM 0 HG22 VAL A 35 5.964 4.416 -10.757 1.00 24.21 H new ATOM 0 HG23 VAL A 35 4.632 5.231 -11.611 1.00 24.21 H new ATOM 519 N THR A 36 7.411 6.771 -10.601 1.00 35.22 N ATOM 520 CA THR A 36 8.084 6.901 -9.303 1.00 51.32 C ATOM 521 C THR A 36 7.213 6.341 -8.174 1.00 63.32 C ATOM 522 O THR A 36 6.159 6.892 -7.860 1.00 1.42 O ATOM 523 CB THR A 36 8.434 8.375 -8.981 1.00 70.24 C ATOM 524 OG1 THR A 36 9.341 8.897 -9.964 1.00 31.53 O ATOM 525 CG2 THR A 36 9.056 8.505 -7.596 1.00 44.12 C ATOM 0 H THR A 36 6.578 7.351 -10.699 1.00 35.22 H new ATOM 0 HA THR A 36 9.008 6.327 -9.373 1.00 51.32 H new ATOM 0 HB THR A 36 7.507 8.948 -9.000 1.00 70.24 H new ATOM 0 HG1 THR A 36 9.553 9.830 -9.751 1.00 31.53 H new ATOM 0 HG21 THR A 36 9.291 9.551 -7.399 1.00 44.12 H new ATOM 0 HG22 THR A 36 8.353 8.144 -6.846 1.00 44.12 H new ATOM 0 HG23 THR A 36 9.970 7.913 -7.551 1.00 44.12 H new ATOM 533 N VAL A 37 7.655 5.235 -7.580 1.00 10.32 N ATOM 534 CA VAL A 37 6.937 4.597 -6.467 1.00 31.15 C ATOM 535 C VAL A 37 7.908 4.103 -5.383 1.00 35.13 C ATOM 536 O VAL A 37 9.099 3.899 -5.643 1.00 13.40 O ATOM 537 CB VAL A 37 6.081 3.396 -6.952 1.00 3.22 C ATOM 538 CG1 VAL A 37 4.992 3.859 -7.915 1.00 22.14 C ATOM 539 CG2 VAL A 37 6.960 2.327 -7.602 1.00 73.05 C ATOM 0 H VAL A 37 8.514 4.755 -7.850 1.00 10.32 H new ATOM 0 HA VAL A 37 6.281 5.359 -6.047 1.00 31.15 H new ATOM 0 HB VAL A 37 5.598 2.953 -6.081 1.00 3.22 H new ATOM 0 HG11 VAL A 37 4.405 3.000 -8.241 1.00 22.14 H new ATOM 0 HG12 VAL A 37 4.341 4.573 -7.411 1.00 22.14 H new ATOM 0 HG13 VAL A 37 5.451 4.335 -8.782 1.00 22.14 H new ATOM 0 HG21 VAL A 37 6.337 1.496 -7.933 1.00 73.05 H new ATOM 0 HG22 VAL A 37 7.480 2.755 -8.459 1.00 73.05 H new ATOM 0 HG23 VAL A 37 7.690 1.967 -6.878 1.00 73.05 H new ATOM 549 N GLU A 38 7.396 3.913 -4.172 1.00 5.32 N ATOM 550 CA GLU A 38 8.184 3.346 -3.074 1.00 14.50 C ATOM 551 C GLU A 38 7.410 2.232 -2.363 1.00 71.05 C ATOM 552 O GLU A 38 6.221 2.031 -2.601 1.00 22.25 O ATOM 553 CB GLU A 38 8.580 4.426 -2.046 1.00 43.41 C ATOM 554 CG GLU A 38 7.404 5.079 -1.318 1.00 41.41 C ATOM 555 CD GLU A 38 6.986 6.408 -1.928 1.00 55.33 C ATOM 556 OE1 GLU A 38 6.496 6.420 -3.070 1.00 41.52 O ATOM 557 OE2 GLU A 38 7.163 7.453 -1.260 1.00 21.33 O ATOM 0 H GLU A 38 6.435 4.143 -3.921 1.00 5.32 H new ATOM 0 HA GLU A 38 9.091 2.931 -3.514 1.00 14.50 H new ATOM 0 HB2 GLU A 38 9.244 3.978 -1.306 1.00 43.41 H new ATOM 0 HB3 GLU A 38 9.150 5.202 -2.557 1.00 43.41 H new ATOM 0 HG2 GLU A 38 6.554 4.397 -1.330 1.00 41.41 H new ATOM 0 HG3 GLU A 38 7.673 5.235 -0.273 1.00 41.41 H new ATOM 564 N LEU A 39 8.098 1.503 -1.495 1.00 21.02 N ATOM 565 CA LEU A 39 7.455 0.487 -0.661 1.00 62.33 C ATOM 566 C LEU A 39 7.925 0.604 0.793 1.00 62.45 C ATOM 567 O LEU A 39 9.124 0.604 1.074 1.00 50.42 O ATOM 568 CB LEU A 39 7.691 -0.925 -1.238 1.00 10.21 C ATOM 569 CG LEU A 39 9.130 -1.256 -1.697 1.00 64.34 C ATOM 570 CD1 LEU A 39 10.016 -1.681 -0.528 1.00 44.32 C ATOM 571 CD2 LEU A 39 9.106 -2.339 -2.776 1.00 14.22 C ATOM 0 H LEU A 39 9.103 1.594 -1.347 1.00 21.02 H new ATOM 0 HA LEU A 39 6.379 0.660 -0.667 1.00 62.33 H new ATOM 0 HB2 LEU A 39 7.398 -1.654 -0.483 1.00 10.21 H new ATOM 0 HB3 LEU A 39 7.023 -1.061 -2.088 1.00 10.21 H new ATOM 0 HG LEU A 39 9.561 -0.347 -2.117 1.00 64.34 H new ATOM 0 HD11 LEU A 39 11.018 -1.905 -0.894 1.00 44.32 H new ATOM 0 HD12 LEU A 39 10.068 -0.873 0.202 1.00 44.32 H new ATOM 0 HD13 LEU A 39 9.595 -2.569 -0.057 1.00 44.32 H new ATOM 0 HD21 LEU A 39 10.126 -2.562 -3.090 1.00 14.22 H new ATOM 0 HD22 LEU A 39 8.644 -3.241 -2.376 1.00 14.22 H new ATOM 0 HD23 LEU A 39 8.531 -1.986 -3.633 1.00 14.22 H new ATOM 583 N ASN A 40 6.970 0.748 1.710 1.00 74.54 N ATOM 584 CA ASN A 40 7.272 0.942 3.137 1.00 74.20 C ATOM 585 C ASN A 40 8.186 2.169 3.362 1.00 73.53 C ATOM 586 O ASN A 40 8.801 2.311 4.418 1.00 74.44 O ATOM 587 CB ASN A 40 7.927 -0.319 3.729 1.00 14.34 C ATOM 588 CG ASN A 40 7.120 -1.578 3.455 1.00 2.21 C ATOM 589 OD1 ASN A 40 6.229 -1.946 4.215 1.00 52.44 O ATOM 590 ND2 ASN A 40 7.434 -2.254 2.370 1.00 25.41 N ATOM 0 H ASN A 40 5.973 0.735 1.494 1.00 74.54 H new ATOM 0 HA ASN A 40 6.327 1.125 3.649 1.00 74.20 H new ATOM 0 HB2 ASN A 40 8.927 -0.435 3.312 1.00 14.34 H new ATOM 0 HB3 ASN A 40 8.043 -0.193 4.805 1.00 14.34 H new ATOM 0 HD21 ASN A 40 6.931 -3.111 2.140 1.00 25.41 H new ATOM 0 HD22 ASN A 40 8.180 -1.921 1.759 1.00 25.41 H new ATOM 597 N GLY A 41 8.246 3.068 2.372 1.00 51.31 N ATOM 598 CA GLY A 41 9.122 4.240 2.459 1.00 44.23 C ATOM 599 C GLY A 41 10.284 4.217 1.461 1.00 3.41 C ATOM 600 O GLY A 41 10.608 5.243 0.855 1.00 60.22 O ATOM 0 H GLY A 41 7.704 3.007 1.510 1.00 51.31 H new ATOM 0 HA2 GLY A 41 8.529 5.139 2.291 1.00 44.23 H new ATOM 0 HA3 GLY A 41 9.524 4.307 3.470 1.00 44.23 H new ATOM 604 N GLU A 42 10.908 3.049 1.286 1.00 31.43 N ATOM 605 CA GLU A 42 12.077 2.901 0.397 1.00 40.31 C ATOM 606 C GLU A 42 11.675 3.059 -1.084 1.00 51.05 C ATOM 607 O GLU A 42 10.847 2.295 -1.587 1.00 43.53 O ATOM 608 CB GLU A 42 12.713 1.513 0.611 1.00 42.20 C ATOM 609 CG GLU A 42 14.046 1.301 -0.112 1.00 25.21 C ATOM 610 CD GLU A 42 15.240 1.874 0.648 1.00 1.11 C ATOM 611 OE1 GLU A 42 15.545 3.074 0.488 1.00 64.21 O ATOM 612 OE2 GLU A 42 15.883 1.118 1.408 1.00 2.41 O ATOM 0 H GLU A 42 10.626 2.185 1.748 1.00 31.43 H new ATOM 0 HA GLU A 42 12.795 3.684 0.643 1.00 40.31 H new ATOM 0 HB2 GLU A 42 12.866 1.360 1.679 1.00 42.20 H new ATOM 0 HB3 GLU A 42 12.009 0.751 0.277 1.00 42.20 H new ATOM 0 HG2 GLU A 42 14.201 0.234 -0.268 1.00 25.21 H new ATOM 0 HG3 GLU A 42 13.995 1.764 -1.098 1.00 25.21 H new ATOM 619 N VAL A 43 12.259 4.037 -1.783 1.00 0.52 N ATOM 620 CA VAL A 43 11.925 4.272 -3.200 1.00 54.44 C ATOM 621 C VAL A 43 12.690 3.316 -4.131 1.00 30.13 C ATOM 622 O VAL A 43 13.844 2.974 -3.876 1.00 32.03 O ATOM 623 CB VAL A 43 12.201 5.743 -3.628 1.00 72.11 C ATOM 624 CG1 VAL A 43 13.690 6.076 -3.553 1.00 63.33 C ATOM 625 CG2 VAL A 43 11.652 6.018 -5.031 1.00 35.21 C ATOM 0 H VAL A 43 12.958 4.674 -1.401 1.00 0.52 H new ATOM 0 HA VAL A 43 10.857 4.077 -3.296 1.00 54.44 H new ATOM 0 HB VAL A 43 11.680 6.393 -2.925 1.00 72.11 H new ATOM 0 HG11 VAL A 43 13.847 7.110 -3.858 1.00 63.33 H new ATOM 0 HG12 VAL A 43 14.042 5.942 -2.530 1.00 63.33 H new ATOM 0 HG13 VAL A 43 14.245 5.413 -4.217 1.00 63.33 H new ATOM 0 HG21 VAL A 43 11.858 7.052 -5.306 1.00 35.21 H new ATOM 0 HG22 VAL A 43 12.131 5.350 -5.747 1.00 35.21 H new ATOM 0 HG23 VAL A 43 10.575 5.848 -5.040 1.00 35.21 H new ATOM 635 N LEU A 44 12.037 2.881 -5.211 1.00 3.53 N ATOM 636 CA LEU A 44 12.651 1.944 -6.163 1.00 62.24 C ATOM 637 C LEU A 44 13.367 2.681 -7.305 1.00 74.12 C ATOM 638 O LEU A 44 12.872 3.687 -7.824 1.00 13.54 O ATOM 639 CB LEU A 44 11.598 0.984 -6.751 1.00 62.14 C ATOM 640 CG LEU A 44 10.946 -0.005 -5.762 1.00 52.24 C ATOM 641 CD1 LEU A 44 12.008 -0.801 -5.002 1.00 13.32 C ATOM 642 CD2 LEU A 44 10.006 0.715 -4.797 1.00 42.12 C ATOM 0 H LEU A 44 11.086 3.160 -5.450 1.00 3.53 H new ATOM 0 HA LEU A 44 13.391 1.368 -5.607 1.00 62.24 H new ATOM 0 HB2 LEU A 44 10.809 1.581 -7.208 1.00 62.14 H new ATOM 0 HB3 LEU A 44 12.067 0.410 -7.550 1.00 62.14 H new ATOM 0 HG LEU A 44 10.349 -0.709 -6.342 1.00 52.24 H new ATOM 0 HD11 LEU A 44 11.521 -1.490 -4.312 1.00 13.32 H new ATOM 0 HD12 LEU A 44 12.616 -1.365 -5.710 1.00 13.32 H new ATOM 0 HD13 LEU A 44 12.645 -0.116 -4.442 1.00 13.32 H new ATOM 0 HD21 LEU A 44 9.562 -0.009 -4.113 1.00 42.12 H new ATOM 0 HD22 LEU A 44 10.567 1.456 -4.227 1.00 42.12 H new ATOM 0 HD23 LEU A 44 9.217 1.212 -5.361 1.00 42.12 H new ATOM 654 N GLU A 45 14.536 2.174 -7.685 1.00 21.12 N ATOM 655 CA GLU A 45 15.288 2.707 -8.825 1.00 22.41 C ATOM 656 C GLU A 45 14.712 2.187 -10.160 1.00 14.34 C ATOM 657 O GLU A 45 13.972 1.201 -10.185 1.00 32.03 O ATOM 658 CB GLU A 45 16.777 2.320 -8.690 1.00 10.55 C ATOM 659 CG GLU A 45 17.695 2.932 -9.747 1.00 54.41 C ATOM 660 CD GLU A 45 17.645 4.454 -9.766 1.00 75.32 C ATOM 661 OE1 GLU A 45 18.323 5.091 -8.933 1.00 63.32 O ATOM 662 OE2 GLU A 45 16.927 5.016 -10.617 1.00 54.53 O ATOM 0 H GLU A 45 14.989 1.388 -7.218 1.00 21.12 H new ATOM 0 HA GLU A 45 15.199 3.793 -8.826 1.00 22.41 H new ATOM 0 HB2 GLU A 45 17.129 2.623 -7.704 1.00 10.55 H new ATOM 0 HB3 GLU A 45 16.862 1.234 -8.739 1.00 10.55 H new ATOM 0 HG2 GLU A 45 18.720 2.609 -9.562 1.00 54.41 H new ATOM 0 HG3 GLU A 45 17.414 2.552 -10.729 1.00 54.41 H new ATOM 669 N ARG A 46 15.078 2.849 -11.263 1.00 40.45 N ATOM 670 CA ARG A 46 14.601 2.502 -12.620 1.00 23.35 C ATOM 671 C ARG A 46 14.702 0.991 -12.938 1.00 62.42 C ATOM 672 O ARG A 46 13.981 0.476 -13.795 1.00 41.43 O ATOM 673 CB ARG A 46 15.418 3.290 -13.660 1.00 2.14 C ATOM 674 CG ARG A 46 16.889 2.877 -13.717 1.00 1.32 C ATOM 675 CD ARG A 46 17.696 3.727 -14.696 1.00 44.32 C ATOM 676 NE ARG A 46 17.852 5.104 -14.230 1.00 45.25 N ATOM 677 CZ ARG A 46 19.003 5.667 -13.979 1.00 61.34 C ATOM 678 NH1 ARG A 46 20.112 5.009 -14.123 1.00 43.41 N ATOM 679 NH2 ARG A 46 19.044 6.897 -13.588 1.00 22.52 N ATOM 0 H ARG A 46 15.716 3.645 -11.247 1.00 40.45 H new ATOM 0 HA ARG A 46 13.544 2.767 -12.661 1.00 23.35 H new ATOM 0 HB2 ARG A 46 14.971 3.150 -14.644 1.00 2.14 H new ATOM 0 HB3 ARG A 46 15.356 4.354 -13.430 1.00 2.14 H new ATOM 0 HG2 ARG A 46 17.326 2.961 -12.722 1.00 1.32 H new ATOM 0 HG3 ARG A 46 16.958 1.829 -14.008 1.00 1.32 H new ATOM 0 HD2 ARG A 46 18.680 3.279 -14.839 1.00 44.32 H new ATOM 0 HD3 ARG A 46 17.202 3.727 -15.668 1.00 44.32 H new ATOM 0 HE ARG A 46 17.008 5.660 -14.092 1.00 45.25 H new ATOM 0 HH11 ARG A 46 20.092 4.038 -14.436 1.00 43.41 H new ATOM 0 HH12 ARG A 46 21.004 5.462 -13.923 1.00 43.41 H new ATOM 0 HH21 ARG A 46 18.179 7.426 -13.476 1.00 22.52 H new ATOM 0 HH22 ARG A 46 19.941 7.340 -13.391 1.00 22.52 H new ATOM 693 N GLU A 47 15.600 0.292 -12.247 1.00 3.44 N ATOM 694 CA GLU A 47 15.874 -1.126 -12.524 1.00 24.14 C ATOM 695 C GLU A 47 15.592 -2.029 -11.308 1.00 33.41 C ATOM 696 O GLU A 47 15.878 -3.228 -11.337 1.00 52.53 O ATOM 697 CB GLU A 47 17.334 -1.269 -12.971 1.00 44.22 C ATOM 698 CG GLU A 47 18.325 -0.597 -12.025 1.00 32.11 C ATOM 699 CD GLU A 47 19.748 -0.616 -12.552 1.00 31.52 C ATOM 700 OE1 GLU A 47 20.040 0.122 -13.513 1.00 31.25 O ATOM 701 OE2 GLU A 47 20.581 -1.363 -12.001 1.00 2.42 O ATOM 0 H GLU A 47 16.156 0.683 -11.486 1.00 3.44 H new ATOM 0 HA GLU A 47 15.201 -1.455 -13.316 1.00 24.14 H new ATOM 0 HB2 GLU A 47 17.580 -2.328 -13.051 1.00 44.22 H new ATOM 0 HB3 GLU A 47 17.445 -0.840 -13.967 1.00 44.22 H new ATOM 0 HG2 GLU A 47 18.018 0.436 -11.859 1.00 32.11 H new ATOM 0 HG3 GLU A 47 18.294 -1.099 -11.058 1.00 32.11 H new ATOM 708 N ALA A 48 15.016 -1.460 -10.250 1.00 42.41 N ATOM 709 CA ALA A 48 14.724 -2.218 -9.023 1.00 13.14 C ATOM 710 C ALA A 48 13.306 -2.815 -9.035 1.00 75.42 C ATOM 711 O ALA A 48 12.967 -3.662 -8.203 1.00 10.41 O ATOM 712 CB ALA A 48 14.910 -1.324 -7.805 1.00 54.42 C ATOM 0 H ALA A 48 14.741 -0.479 -10.213 1.00 42.41 H new ATOM 0 HA ALA A 48 15.425 -3.051 -8.975 1.00 13.14 H new ATOM 0 HB1 ALA A 48 14.692 -1.892 -6.900 1.00 54.42 H new ATOM 0 HB2 ALA A 48 15.939 -0.966 -7.770 1.00 54.42 H new ATOM 0 HB3 ALA A 48 14.232 -0.473 -7.871 1.00 54.42 H new ATOM 718 N PHE A 49 12.485 -2.371 -9.987 1.00 31.11 N ATOM 719 CA PHE A 49 11.089 -2.827 -10.096 1.00 73.15 C ATOM 720 C PHE A 49 10.994 -4.341 -10.363 1.00 41.35 C ATOM 721 O PHE A 49 10.120 -5.026 -9.822 1.00 30.41 O ATOM 722 CB PHE A 49 10.370 -2.068 -11.220 1.00 20.33 C ATOM 723 CG PHE A 49 10.412 -0.564 -11.075 1.00 55.45 C ATOM 724 CD1 PHE A 49 9.704 0.070 -10.064 1.00 10.21 C ATOM 725 CD2 PHE A 49 11.155 0.213 -11.953 1.00 50.53 C ATOM 726 CE1 PHE A 49 9.738 1.445 -9.930 1.00 34.20 C ATOM 727 CE2 PHE A 49 11.191 1.588 -11.823 1.00 62.35 C ATOM 728 CZ PHE A 49 10.480 2.205 -10.812 1.00 21.03 C ATOM 0 H PHE A 49 12.759 -1.694 -10.699 1.00 31.11 H new ATOM 0 HA PHE A 49 10.608 -2.621 -9.140 1.00 73.15 H new ATOM 0 HB2 PHE A 49 10.819 -2.343 -12.174 1.00 20.33 H new ATOM 0 HB3 PHE A 49 9.329 -2.390 -11.253 1.00 20.33 H new ATOM 0 HD1 PHE A 49 9.119 -0.519 -9.373 1.00 10.21 H new ATOM 0 HD2 PHE A 49 11.711 -0.263 -12.747 1.00 50.53 H new ATOM 0 HE1 PHE A 49 9.185 1.925 -9.136 1.00 34.20 H new ATOM 0 HE2 PHE A 49 11.775 2.180 -12.512 1.00 62.35 H new ATOM 0 HZ PHE A 49 10.505 3.280 -10.712 1.00 21.03 H new ATOM 738 N ASP A 50 11.901 -4.853 -11.194 1.00 31.20 N ATOM 739 CA ASP A 50 11.881 -6.262 -11.597 1.00 41.23 C ATOM 740 C ASP A 50 12.323 -7.203 -10.463 1.00 71.32 C ATOM 741 O ASP A 50 11.588 -8.112 -10.078 1.00 30.33 O ATOM 742 CB ASP A 50 12.780 -6.454 -12.818 1.00 31.44 C ATOM 743 CG ASP A 50 12.357 -5.575 -13.978 1.00 20.33 C ATOM 744 OD1 ASP A 50 11.341 -5.896 -14.630 1.00 40.01 O ATOM 745 OD2 ASP A 50 13.038 -4.563 -14.250 1.00 51.30 O ATOM 0 H ASP A 50 12.662 -4.312 -11.604 1.00 31.20 H new ATOM 0 HA ASP A 50 10.852 -6.521 -11.844 1.00 41.23 H new ATOM 0 HB2 ASP A 50 13.811 -6.227 -12.548 1.00 31.44 H new ATOM 0 HB3 ASP A 50 12.754 -7.499 -13.127 1.00 31.44 H new ATOM 750 N ALA A 51 13.522 -6.969 -9.932 1.00 23.04 N ATOM 751 CA ALA A 51 14.113 -7.848 -8.912 1.00 32.31 C ATOM 752 C ALA A 51 13.294 -7.887 -7.607 1.00 61.52 C ATOM 753 O ALA A 51 13.166 -8.939 -6.974 1.00 34.22 O ATOM 754 CB ALA A 51 15.546 -7.414 -8.620 1.00 0.32 C ATOM 0 H ALA A 51 14.109 -6.176 -10.190 1.00 23.04 H new ATOM 0 HA ALA A 51 14.106 -8.859 -9.319 1.00 32.31 H new ATOM 0 HB1 ALA A 51 15.978 -8.069 -7.864 1.00 0.32 H new ATOM 0 HB2 ALA A 51 16.138 -7.475 -9.533 1.00 0.32 H new ATOM 0 HB3 ALA A 51 15.548 -6.387 -8.254 1.00 0.32 H new ATOM 760 N THR A 52 12.738 -6.746 -7.209 1.00 51.30 N ATOM 761 CA THR A 52 11.996 -6.653 -5.945 1.00 13.12 C ATOM 762 C THR A 52 10.620 -7.323 -6.035 1.00 55.13 C ATOM 763 O THR A 52 9.658 -6.743 -6.546 1.00 75.12 O ATOM 764 CB THR A 52 11.826 -5.184 -5.485 1.00 42.13 C ATOM 765 OG1 THR A 52 13.114 -4.593 -5.260 1.00 45.21 O ATOM 766 CG2 THR A 52 11.002 -5.090 -4.204 1.00 24.22 C ATOM 0 H THR A 52 12.784 -5.874 -7.737 1.00 51.30 H new ATOM 0 HA THR A 52 12.593 -7.186 -5.205 1.00 13.12 H new ATOM 0 HB THR A 52 11.299 -4.648 -6.274 1.00 42.13 H new ATOM 0 HG1 THR A 52 13.414 -4.141 -6.076 1.00 45.21 H new ATOM 0 HG21 THR A 52 10.903 -4.045 -3.911 1.00 24.22 H new ATOM 0 HG22 THR A 52 10.013 -5.514 -4.376 1.00 24.22 H new ATOM 0 HG23 THR A 52 11.501 -5.644 -3.409 1.00 24.22 H new ATOM 774 N THR A 53 10.543 -8.560 -5.553 1.00 33.03 N ATOM 775 CA THR A 53 9.278 -9.300 -5.499 1.00 3.54 C ATOM 776 C THR A 53 8.486 -8.959 -4.232 1.00 1.40 C ATOM 777 O THR A 53 9.009 -9.038 -3.118 1.00 42.45 O ATOM 778 CB THR A 53 9.508 -10.828 -5.548 1.00 71.44 C ATOM 779 OG1 THR A 53 10.375 -11.234 -4.475 1.00 55.22 O ATOM 780 CG2 THR A 53 10.117 -11.246 -6.882 1.00 12.44 C ATOM 0 H THR A 53 11.345 -9.077 -5.191 1.00 33.03 H new ATOM 0 HA THR A 53 8.706 -8.998 -6.376 1.00 3.54 H new ATOM 0 HB THR A 53 8.540 -11.318 -5.438 1.00 71.44 H new ATOM 0 HG1 THR A 53 10.289 -10.604 -3.729 1.00 55.22 H new ATOM 0 HG21 THR A 53 10.269 -12.325 -6.890 1.00 12.44 H new ATOM 0 HG22 THR A 53 9.443 -10.968 -7.693 1.00 12.44 H new ATOM 0 HG23 THR A 53 11.075 -10.744 -7.018 1.00 12.44 H new ATOM 788 N VAL A 54 7.224 -8.584 -4.408 1.00 22.34 N ATOM 789 CA VAL A 54 6.350 -8.229 -3.286 1.00 51.15 C ATOM 790 C VAL A 54 5.387 -9.382 -2.955 1.00 64.32 C ATOM 791 O VAL A 54 5.029 -10.184 -3.824 1.00 51.54 O ATOM 792 CB VAL A 54 5.556 -6.933 -3.600 1.00 41.32 C ATOM 793 CG1 VAL A 54 4.682 -6.508 -2.421 1.00 51.30 C ATOM 794 CG2 VAL A 54 6.514 -5.809 -3.993 1.00 33.14 C ATOM 0 H VAL A 54 6.777 -8.516 -5.322 1.00 22.34 H new ATOM 0 HA VAL A 54 6.978 -8.047 -2.414 1.00 51.15 H new ATOM 0 HB VAL A 54 4.893 -7.142 -4.439 1.00 41.32 H new ATOM 0 HG11 VAL A 54 4.142 -5.597 -2.678 1.00 51.30 H new ATOM 0 HG12 VAL A 54 3.969 -7.300 -2.192 1.00 51.30 H new ATOM 0 HG13 VAL A 54 5.311 -6.323 -1.550 1.00 51.30 H new ATOM 0 HG21 VAL A 54 5.945 -4.905 -4.211 1.00 33.14 H new ATOM 0 HG22 VAL A 54 7.203 -5.614 -3.171 1.00 33.14 H new ATOM 0 HG23 VAL A 54 7.078 -6.104 -4.878 1.00 33.14 H new ATOM 804 N LYS A 55 4.978 -9.464 -1.692 1.00 33.34 N ATOM 805 CA LYS A 55 4.152 -10.572 -1.203 1.00 43.20 C ATOM 806 C LYS A 55 3.051 -10.088 -0.247 1.00 54.13 C ATOM 807 O LYS A 55 2.817 -8.888 -0.106 1.00 45.41 O ATOM 808 CB LYS A 55 5.049 -11.597 -0.494 1.00 73.04 C ATOM 809 CG LYS A 55 6.077 -10.965 0.441 1.00 33.22 C ATOM 810 CD LYS A 55 6.728 -11.993 1.361 1.00 71.44 C ATOM 811 CE LYS A 55 5.798 -12.411 2.495 1.00 35.12 C ATOM 812 NZ LYS A 55 5.444 -11.255 3.363 1.00 40.23 N ATOM 0 H LYS A 55 5.206 -8.770 -0.980 1.00 33.34 H new ATOM 0 HA LYS A 55 3.660 -11.032 -2.060 1.00 43.20 H new ATOM 0 HB2 LYS A 55 4.423 -12.282 0.078 1.00 73.04 H new ATOM 0 HB3 LYS A 55 5.570 -12.192 -1.244 1.00 73.04 H new ATOM 0 HG2 LYS A 55 6.847 -10.470 -0.150 1.00 33.22 H new ATOM 0 HG3 LYS A 55 5.593 -10.196 1.043 1.00 33.22 H new ATOM 0 HD2 LYS A 55 7.011 -12.871 0.781 1.00 71.44 H new ATOM 0 HD3 LYS A 55 7.645 -11.577 1.778 1.00 71.44 H new ATOM 0 HE2 LYS A 55 4.890 -12.848 2.080 1.00 35.12 H new ATOM 0 HE3 LYS A 55 6.278 -13.184 3.095 1.00 35.12 H new ATOM 0 HZ1 LYS A 55 5.422 -11.561 4.357 1.00 40.23 H new ATOM 0 HZ2 LYS A 55 6.154 -10.504 3.247 1.00 40.23 H new ATOM 0 HZ3 LYS A 55 4.508 -10.891 3.092 1.00 40.23 H new ATOM 826 N ASP A 56 2.378 -11.034 0.412 1.00 2.24 N ATOM 827 CA ASP A 56 1.306 -10.713 1.355 1.00 75.41 C ATOM 828 C ASP A 56 1.846 -9.974 2.592 1.00 4.14 C ATOM 829 O ASP A 56 2.890 -10.343 3.144 1.00 35.24 O ATOM 830 CB ASP A 56 0.591 -12.001 1.783 1.00 41.04 C ATOM 831 CG ASP A 56 -0.573 -11.737 2.721 1.00 31.10 C ATOM 832 OD1 ASP A 56 -1.695 -11.499 2.233 1.00 71.32 O ATOM 833 OD2 ASP A 56 -0.372 -11.763 3.953 1.00 22.14 O ATOM 0 H ASP A 56 2.558 -12.033 0.309 1.00 2.24 H new ATOM 0 HA ASP A 56 0.600 -10.051 0.854 1.00 75.41 H new ATOM 0 HB2 ASP A 56 0.228 -12.523 0.897 1.00 41.04 H new ATOM 0 HB3 ASP A 56 1.305 -12.663 2.273 1.00 41.04 H new ATOM 838 N GLY A 57 1.132 -8.932 3.016 1.00 24.11 N ATOM 839 CA GLY A 57 1.512 -8.195 4.213 1.00 30.13 C ATOM 840 C GLY A 57 2.622 -7.181 3.971 1.00 53.14 C ATOM 841 O GLY A 57 3.615 -7.153 4.701 1.00 40.20 O ATOM 0 H GLY A 57 0.294 -8.584 2.550 1.00 24.11 H new ATOM 0 HA2 GLY A 57 0.637 -7.678 4.606 1.00 30.13 H new ATOM 0 HA3 GLY A 57 1.835 -8.901 4.978 1.00 30.13 H new ATOM 845 N ASP A 58 2.457 -6.342 2.952 1.00 1.11 N ATOM 846 CA ASP A 58 3.447 -5.310 2.636 1.00 43.12 C ATOM 847 C ASP A 58 2.749 -4.002 2.218 1.00 12.21 C ATOM 848 O ASP A 58 1.520 -3.928 2.203 1.00 13.03 O ATOM 849 CB ASP A 58 4.390 -5.816 1.533 1.00 24.02 C ATOM 850 CG ASP A 58 5.745 -5.135 1.582 1.00 33.14 C ATOM 851 OD1 ASP A 58 6.587 -5.540 2.409 1.00 13.24 O ATOM 852 OD2 ASP A 58 5.968 -4.176 0.817 1.00 65.45 O ATOM 0 H ASP A 58 1.649 -6.354 2.330 1.00 1.11 H new ATOM 0 HA ASP A 58 4.040 -5.097 3.526 1.00 43.12 H new ATOM 0 HB2 ASP A 58 4.522 -6.893 1.636 1.00 24.02 H new ATOM 0 HB3 ASP A 58 3.933 -5.643 0.559 1.00 24.02 H new ATOM 857 N ALA A 59 3.524 -2.974 1.875 1.00 52.01 N ATOM 858 CA ALA A 59 2.958 -1.656 1.561 1.00 34.35 C ATOM 859 C ALA A 59 3.607 -1.024 0.323 1.00 24.24 C ATOM 860 O ALA A 59 4.755 -0.577 0.370 1.00 23.22 O ATOM 861 CB ALA A 59 3.106 -0.729 2.760 1.00 73.04 C ATOM 0 H ALA A 59 4.540 -3.024 1.807 1.00 52.01 H new ATOM 0 HA ALA A 59 1.902 -1.800 1.334 1.00 34.35 H new ATOM 0 HB1 ALA A 59 2.684 0.247 2.520 1.00 73.04 H new ATOM 0 HB2 ALA A 59 2.578 -1.152 3.615 1.00 73.04 H new ATOM 0 HB3 ALA A 59 4.162 -0.617 3.005 1.00 73.04 H new ATOM 867 N VAL A 60 2.859 -0.983 -0.780 1.00 11.51 N ATOM 868 CA VAL A 60 3.325 -0.346 -2.017 1.00 41.42 C ATOM 869 C VAL A 60 2.669 1.035 -2.212 1.00 10.25 C ATOM 870 O VAL A 60 1.452 1.153 -2.360 1.00 53.44 O ATOM 871 CB VAL A 60 3.055 -1.242 -3.261 1.00 25.50 C ATOM 872 CG1 VAL A 60 1.593 -1.683 -3.325 1.00 72.04 C ATOM 873 CG2 VAL A 60 3.461 -0.521 -4.550 1.00 64.44 C ATOM 0 H VAL A 60 1.924 -1.385 -0.844 1.00 11.51 H new ATOM 0 HA VAL A 60 4.402 -0.212 -1.920 1.00 41.42 H new ATOM 0 HB VAL A 60 3.668 -2.138 -3.161 1.00 25.50 H new ATOM 0 HG11 VAL A 60 1.439 -2.307 -4.205 1.00 72.04 H new ATOM 0 HG12 VAL A 60 1.345 -2.252 -2.429 1.00 72.04 H new ATOM 0 HG13 VAL A 60 0.950 -0.805 -3.386 1.00 72.04 H new ATOM 0 HG21 VAL A 60 3.263 -1.167 -5.406 1.00 64.44 H new ATOM 0 HG22 VAL A 60 2.885 0.399 -4.649 1.00 64.44 H new ATOM 0 HG23 VAL A 60 4.524 -0.282 -4.514 1.00 64.44 H new ATOM 883 N GLU A 61 3.486 2.079 -2.206 1.00 21.15 N ATOM 884 CA GLU A 61 2.997 3.450 -2.348 1.00 62.01 C ATOM 885 C GLU A 61 3.099 3.925 -3.806 1.00 51.41 C ATOM 886 O GLU A 61 4.192 4.125 -4.337 1.00 24.31 O ATOM 887 CB GLU A 61 3.781 4.378 -1.417 1.00 1.51 C ATOM 888 CG GLU A 61 3.649 4.000 0.057 1.00 23.25 C ATOM 889 CD GLU A 61 4.455 4.900 0.978 1.00 25.22 C ATOM 890 OE1 GLU A 61 4.119 6.098 1.088 1.00 71.33 O ATOM 891 OE2 GLU A 61 5.428 4.415 1.600 1.00 13.11 O ATOM 0 H GLU A 61 4.498 2.005 -2.104 1.00 21.15 H new ATOM 0 HA GLU A 61 1.944 3.475 -2.067 1.00 62.01 H new ATOM 0 HB2 GLU A 61 4.834 4.359 -1.698 1.00 1.51 H new ATOM 0 HB3 GLU A 61 3.432 5.401 -1.556 1.00 1.51 H new ATOM 0 HG2 GLU A 61 2.598 4.044 0.344 1.00 23.25 H new ATOM 0 HG3 GLU A 61 3.974 2.968 0.192 1.00 23.25 H new ATOM 898 N PHE A 62 1.944 4.086 -4.446 1.00 5.43 N ATOM 899 CA PHE A 62 1.878 4.481 -5.857 1.00 22.41 C ATOM 900 C PHE A 62 1.569 5.977 -5.996 1.00 2.55 C ATOM 901 O PHE A 62 0.485 6.435 -5.624 1.00 2.04 O ATOM 902 CB PHE A 62 0.806 3.654 -6.577 1.00 74.30 C ATOM 903 CG PHE A 62 0.797 3.827 -8.078 1.00 2.21 C ATOM 904 CD1 PHE A 62 1.646 3.077 -8.879 1.00 60.22 C ATOM 905 CD2 PHE A 62 -0.062 4.732 -8.687 1.00 41.24 C ATOM 906 CE1 PHE A 62 1.641 3.224 -10.251 1.00 51.31 C ATOM 907 CE2 PHE A 62 -0.071 4.884 -10.061 1.00 45.05 C ATOM 908 CZ PHE A 62 0.781 4.129 -10.844 1.00 0.01 C ATOM 0 H PHE A 62 1.033 3.949 -4.009 1.00 5.43 H new ATOM 0 HA PHE A 62 2.850 4.292 -6.313 1.00 22.41 H new ATOM 0 HB2 PHE A 62 0.959 2.600 -6.345 1.00 74.30 H new ATOM 0 HB3 PHE A 62 -0.173 3.928 -6.185 1.00 74.30 H new ATOM 0 HD1 PHE A 62 2.320 2.368 -8.422 1.00 60.22 H new ATOM 0 HD2 PHE A 62 -0.731 5.324 -8.080 1.00 41.24 H new ATOM 0 HE1 PHE A 62 2.308 2.633 -10.861 1.00 51.31 H new ATOM 0 HE2 PHE A 62 -0.743 5.592 -10.522 1.00 45.05 H new ATOM 0 HZ PHE A 62 0.775 4.246 -11.918 1.00 0.01 H new ATOM 918 N LEU A 63 2.523 6.731 -6.533 1.00 45.11 N ATOM 919 CA LEU A 63 2.365 8.178 -6.702 1.00 44.23 C ATOM 920 C LEU A 63 1.697 8.525 -8.048 1.00 43.44 C ATOM 921 O LEU A 63 2.029 7.953 -9.085 1.00 74.15 O ATOM 922 CB LEU A 63 3.730 8.876 -6.598 1.00 72.01 C ATOM 923 CG LEU A 63 4.551 8.528 -5.344 1.00 72.30 C ATOM 924 CD1 LEU A 63 5.839 9.345 -5.299 1.00 4.35 C ATOM 925 CD2 LEU A 63 3.728 8.730 -4.072 1.00 33.30 C ATOM 0 H LEU A 63 3.417 6.366 -6.861 1.00 45.11 H new ATOM 0 HA LEU A 63 1.714 8.535 -5.904 1.00 44.23 H new ATOM 0 HB2 LEU A 63 4.318 8.622 -7.480 1.00 72.01 H new ATOM 0 HB3 LEU A 63 3.571 9.954 -6.621 1.00 72.01 H new ATOM 0 HG LEU A 63 4.820 7.473 -5.399 1.00 72.30 H new ATOM 0 HD11 LEU A 63 6.405 9.084 -4.405 1.00 4.35 H new ATOM 0 HD12 LEU A 63 6.438 9.129 -6.183 1.00 4.35 H new ATOM 0 HD13 LEU A 63 5.595 10.407 -5.277 1.00 4.35 H new ATOM 0 HD21 LEU A 63 4.334 8.476 -3.202 1.00 33.30 H new ATOM 0 HD22 LEU A 63 3.413 9.771 -4.004 1.00 33.30 H new ATOM 0 HD23 LEU A 63 2.849 8.087 -4.102 1.00 33.30 H new