USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 420 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 4 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 50 THR OG1 : rot -24:sc= 0.0959 USER MOD Set 2.2: A 52 THR OG1 : rot 180:sc= -0.13 USER MOD Set 3.1: A 33 GLN : amide:sc= 0.211 X(o=0.44,f=0.23) USER MOD Set 3.2: A 36 ASN : amide:sc= 0.228 X(o=0.44,f=0.21) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -157:sc= 0.79 (180deg=0.348) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 176:sc= 0.246 (180deg=0.233) USER MOD Single : A 9 ASN : amide:sc= -0.222 X(o=-0.22,f=-0.57) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc=0.000376 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -120:sc= 0.129 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0.722 K(o=0.72,f=-0.019) USER MOD Single : A 45 THR OG1 : rot -51:sc= -0.487 USER MOD Single : A 46 TYR OH : rot -166:sc= 1.24 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.509 -0.369 1.051 1.00 0.00 N ATOM 2 CA MET A 1 -15.161 -1.151 -0.146 1.00 0.00 C ATOM 3 C MET A 1 -14.839 -0.224 -1.300 1.00 0.00 C ATOM 4 O MET A 1 -15.259 0.935 -1.294 1.00 0.00 O ATOM 5 CB MET A 1 -16.274 -2.155 -0.514 1.00 0.00 C ATOM 6 CG MET A 1 -15.851 -3.144 -1.618 1.00 0.00 C ATOM 7 SD MET A 1 -16.625 -4.774 -1.535 1.00 0.00 S ATOM 8 CE MET A 1 -15.825 -5.501 -2.988 1.00 0.00 C ATOM 0 H1 MET A 1 -15.349 -0.946 1.901 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.915 0.483 1.094 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.510 -0.091 1.005 1.00 0.00 H new ATOM 0 HA MET A 1 -14.271 -1.740 0.077 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.561 -2.714 0.377 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.156 -1.606 -0.844 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.080 -2.700 -2.587 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.769 -3.271 -1.573 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.171 -6.526 -3.119 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.078 -4.917 -3.873 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.744 -5.498 -2.848 1.00 0.00 H new ATOM 18 N GLY A 2 -14.143 -0.733 -2.312 1.00 0.00 N ATOM 19 CA GLY A 2 -13.760 -0.005 -3.504 1.00 0.00 C ATOM 20 C GLY A 2 -12.289 -0.200 -3.810 1.00 0.00 C ATOM 21 O GLY A 2 -11.630 -1.055 -3.215 1.00 0.00 O ATOM 0 H GLY A 2 -13.821 -1.701 -2.319 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -14.359 -0.344 -4.349 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.970 1.056 -3.369 1.00 0.00 H new ATOM 25 N THR A 3 -11.799 0.554 -4.782 1.00 0.00 N ATOM 26 CA THR A 3 -10.422 0.497 -5.224 1.00 0.00 C ATOM 27 C THR A 3 -9.526 1.234 -4.237 1.00 0.00 C ATOM 28 O THR A 3 -9.831 2.354 -3.815 1.00 0.00 O ATOM 29 CB THR A 3 -10.315 1.121 -6.624 1.00 0.00 C ATOM 30 OG1 THR A 3 -11.309 0.572 -7.460 1.00 0.00 O ATOM 31 CG2 THR A 3 -8.955 0.863 -7.285 1.00 0.00 C ATOM 0 H THR A 3 -12.362 1.234 -5.293 1.00 0.00 H new ATOM 0 HA THR A 3 -10.094 -0.541 -5.271 1.00 0.00 H new ATOM 0 HB THR A 3 -10.440 2.196 -6.498 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.243 0.971 -8.353 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.936 1.326 -8.271 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.164 1.290 -6.668 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.797 -0.211 -7.386 1.00 0.00 H new ATOM 39 N TYR A 4 -8.399 0.612 -3.924 1.00 0.00 N ATOM 40 CA TYR A 4 -7.358 1.101 -3.048 1.00 0.00 C ATOM 41 C TYR A 4 -6.070 1.126 -3.867 1.00 0.00 C ATOM 42 O TYR A 4 -5.923 0.357 -4.824 1.00 0.00 O ATOM 43 CB TYR A 4 -7.244 0.196 -1.821 1.00 0.00 C ATOM 44 CG TYR A 4 -8.386 0.376 -0.852 1.00 0.00 C ATOM 45 CD1 TYR A 4 -8.330 1.400 0.109 1.00 0.00 C ATOM 46 CD2 TYR A 4 -9.507 -0.466 -0.920 1.00 0.00 C ATOM 47 CE1 TYR A 4 -9.378 1.571 1.028 1.00 0.00 C ATOM 48 CE2 TYR A 4 -10.563 -0.297 -0.014 1.00 0.00 C ATOM 49 CZ TYR A 4 -10.499 0.714 0.966 1.00 0.00 C ATOM 50 OH TYR A 4 -11.540 0.867 1.821 1.00 0.00 O ATOM 0 H TYR A 4 -8.178 -0.309 -4.303 1.00 0.00 H new ATOM 0 HA TYR A 4 -7.575 2.102 -2.676 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -7.209 -0.844 -2.145 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -6.304 0.402 -1.309 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -7.475 2.060 0.141 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -9.556 -1.243 -1.669 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -9.327 2.350 1.775 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -11.427 -0.943 -0.067 1.00 0.00 H new ATOM 0 HH TYR A 4 -12.222 0.189 1.631 1.00 0.00 H new ATOM 60 N LYS A 5 -5.102 1.948 -3.462 1.00 0.00 N ATOM 61 CA LYS A 5 -3.814 2.111 -4.128 1.00 0.00 C ATOM 62 C LYS A 5 -2.671 2.098 -3.128 1.00 0.00 C ATOM 63 O LYS A 5 -2.827 2.537 -1.992 1.00 0.00 O ATOM 64 CB LYS A 5 -3.821 3.429 -4.911 1.00 0.00 C ATOM 65 CG LYS A 5 -2.524 3.652 -5.706 1.00 0.00 C ATOM 66 CD LYS A 5 -2.506 5.024 -6.360 1.00 0.00 C ATOM 67 CE LYS A 5 -1.330 5.068 -7.332 1.00 0.00 C ATOM 68 NZ LYS A 5 -1.280 6.332 -8.084 1.00 0.00 N ATOM 0 H LYS A 5 -5.198 2.537 -2.635 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.662 1.275 -4.811 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.668 3.435 -5.596 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.965 4.258 -4.218 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.666 3.552 -5.041 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.426 2.881 -6.470 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.443 5.207 -6.887 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.406 5.804 -5.606 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.399 4.938 -6.780 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.406 4.234 -8.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.429 6.347 -8.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.126 6.413 -8.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.250 7.131 -7.419 1.00 0.00 H new ATOM 82 N LEU A 6 -1.524 1.572 -3.540 1.00 0.00 N ATOM 83 CA LEU A 6 -0.320 1.517 -2.726 1.00 0.00 C ATOM 84 C LEU A 6 0.809 2.184 -3.488 1.00 0.00 C ATOM 85 O LEU A 6 1.001 1.872 -4.663 1.00 0.00 O ATOM 86 CB LEU A 6 0.053 0.063 -2.441 1.00 0.00 C ATOM 87 CG LEU A 6 1.393 -0.134 -1.703 1.00 0.00 C ATOM 88 CD1 LEU A 6 1.352 0.499 -0.308 1.00 0.00 C ATOM 89 CD2 LEU A 6 1.690 -1.636 -1.634 1.00 0.00 C ATOM 0 H LEU A 6 -1.404 1.164 -4.467 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.494 2.029 -1.780 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.741 -0.390 -1.848 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.093 -0.478 -3.386 1.00 0.00 H new ATOM 0 HG LEU A 6 2.194 0.367 -2.247 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.309 0.345 0.190 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.158 1.568 -0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.559 0.035 0.279 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.635 -1.797 -1.115 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.889 -2.141 -1.094 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.758 -2.040 -2.644 1.00 0.00 H new ATOM 101 N ILE A 7 1.559 3.039 -2.801 1.00 0.00 N ATOM 102 CA ILE A 7 2.717 3.769 -3.292 1.00 0.00 C ATOM 103 C ILE A 7 3.897 3.258 -2.461 1.00 0.00 C ATOM 104 O ILE A 7 3.981 3.488 -1.255 1.00 0.00 O ATOM 105 CB ILE A 7 2.527 5.299 -3.190 1.00 0.00 C ATOM 106 CG1 ILE A 7 1.216 5.742 -3.877 1.00 0.00 C ATOM 107 CG2 ILE A 7 3.761 6.009 -3.780 1.00 0.00 C ATOM 108 CD1 ILE A 7 1.008 7.260 -3.942 1.00 0.00 C ATOM 0 H ILE A 7 1.359 3.253 -1.824 1.00 0.00 H new ATOM 0 HA ILE A 7 2.884 3.595 -4.355 1.00 0.00 H new ATOM 0 HB ILE A 7 2.439 5.584 -2.142 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.200 5.343 -4.891 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.375 5.296 -3.346 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.628 7.089 -3.709 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.651 5.715 -3.223 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.878 5.726 -4.826 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.063 7.477 -4.440 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.987 7.668 -2.931 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.826 7.716 -4.501 1.00 0.00 H new ATOM 120 N LEU A 8 4.762 2.467 -3.081 1.00 0.00 N ATOM 121 CA LEU A 8 5.946 1.894 -2.468 1.00 0.00 C ATOM 122 C LEU A 8 7.072 2.908 -2.616 1.00 0.00 C ATOM 123 O LEU A 8 7.553 3.131 -3.726 1.00 0.00 O ATOM 124 CB LEU A 8 6.347 0.586 -3.168 1.00 0.00 C ATOM 125 CG LEU A 8 5.301 -0.533 -3.093 1.00 0.00 C ATOM 126 CD1 LEU A 8 5.663 -1.669 -4.052 1.00 0.00 C ATOM 127 CD2 LEU A 8 5.159 -1.109 -1.689 1.00 0.00 C ATOM 0 H LEU A 8 4.652 2.199 -4.059 1.00 0.00 H new ATOM 0 HA LEU A 8 5.748 1.669 -1.420 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.554 0.801 -4.216 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.276 0.225 -2.727 1.00 0.00 H new ATOM 0 HG LEU A 8 4.350 -0.083 -3.376 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.910 -2.455 -3.986 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.700 -1.286 -5.072 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.637 -2.076 -3.782 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.406 -1.897 -1.693 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.115 -1.522 -1.367 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.855 -0.320 -1.001 1.00 0.00 H new ATOM 139 N ASN A 9 7.452 3.567 -1.529 1.00 0.00 N ATOM 140 CA ASN A 9 8.544 4.542 -1.502 1.00 0.00 C ATOM 141 C ASN A 9 9.708 3.840 -0.810 1.00 0.00 C ATOM 142 O ASN A 9 10.019 4.110 0.350 1.00 0.00 O ATOM 143 CB ASN A 9 8.189 5.831 -0.737 1.00 0.00 C ATOM 144 CG ASN A 9 7.752 6.987 -1.599 1.00 0.00 C ATOM 145 OD1 ASN A 9 8.321 7.270 -2.651 1.00 0.00 O ATOM 146 ND2 ASN A 9 6.819 7.765 -1.100 1.00 0.00 N ATOM 0 H ASN A 9 7.004 3.439 -0.622 1.00 0.00 H new ATOM 0 HA ASN A 9 8.777 4.858 -2.519 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.393 5.606 -0.027 1.00 0.00 H new ATOM 0 HB3 ASN A 9 9.057 6.140 -0.155 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.555 8.622 -1.587 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.358 7.513 -0.226 1.00 0.00 H new ATOM 153 N GLY A 10 10.364 2.922 -1.505 1.00 0.00 N ATOM 154 CA GLY A 10 11.489 2.225 -0.924 1.00 0.00 C ATOM 155 C GLY A 10 12.781 2.962 -1.226 1.00 0.00 C ATOM 156 O GLY A 10 12.927 3.615 -2.263 1.00 0.00 O ATOM 0 H GLY A 10 10.136 2.649 -2.461 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.355 2.140 0.154 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.540 1.211 -1.320 1.00 0.00 H new ATOM 160 N LYS A 11 13.742 2.887 -0.309 1.00 0.00 N ATOM 161 CA LYS A 11 15.038 3.548 -0.471 1.00 0.00 C ATOM 162 C LYS A 11 15.872 2.823 -1.517 1.00 0.00 C ATOM 163 O LYS A 11 16.837 3.391 -2.033 1.00 0.00 O ATOM 164 CB LYS A 11 15.781 3.598 0.874 1.00 0.00 C ATOM 165 CG LYS A 11 14.936 4.156 2.032 1.00 0.00 C ATOM 166 CD LYS A 11 14.267 5.513 1.756 1.00 0.00 C ATOM 167 CE LYS A 11 15.319 6.619 1.741 1.00 0.00 C ATOM 168 NZ LYS A 11 14.756 7.892 1.260 1.00 0.00 N ATOM 0 H LYS A 11 13.647 2.369 0.565 1.00 0.00 H new ATOM 0 HA LYS A 11 14.871 4.570 -0.811 1.00 0.00 H new ATOM 0 HB2 LYS A 11 16.114 2.593 1.132 1.00 0.00 H new ATOM 0 HB3 LYS A 11 16.675 4.211 0.761 1.00 0.00 H new ATOM 0 HG2 LYS A 11 14.161 3.430 2.279 1.00 0.00 H new ATOM 0 HG3 LYS A 11 15.573 4.254 2.911 1.00 0.00 H new ATOM 0 HD2 LYS A 11 13.745 5.483 0.800 1.00 0.00 H new ATOM 0 HD3 LYS A 11 13.519 5.721 2.521 1.00 0.00 H new ATOM 0 HE2 LYS A 11 15.721 6.754 2.745 1.00 0.00 H new ATOM 0 HE3 LYS A 11 16.151 6.323 1.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.497 8.622 1.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.395 7.768 0.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 13.978 8.186 1.885 1.00 0.00 H new ATOM 182 N THR A 12 15.461 1.611 -1.866 1.00 0.00 N ATOM 183 CA THR A 12 16.078 0.722 -2.820 1.00 0.00 C ATOM 184 C THR A 12 15.189 0.576 -4.052 1.00 0.00 C ATOM 185 O THR A 12 15.723 0.750 -5.151 1.00 0.00 O ATOM 186 CB THR A 12 16.417 -0.616 -2.126 1.00 0.00 C ATOM 187 OG1 THR A 12 15.687 -0.791 -0.927 1.00 0.00 O ATOM 188 CG2 THR A 12 17.874 -0.588 -1.685 1.00 0.00 C ATOM 0 H THR A 12 14.623 1.200 -1.454 1.00 0.00 H new ATOM 0 HA THR A 12 17.020 1.134 -3.181 1.00 0.00 H new ATOM 0 HB THR A 12 16.187 -1.406 -2.841 1.00 0.00 H new ATOM 0 HG1 THR A 12 15.928 -1.649 -0.519 1.00 0.00 H new ATOM 0 HG21 THR A 12 18.124 -1.528 -1.194 1.00 0.00 H new ATOM 0 HG22 THR A 12 18.515 -0.452 -2.556 1.00 0.00 H new ATOM 0 HG23 THR A 12 18.028 0.237 -0.989 1.00 0.00 H new ATOM 196 N LEU A 13 13.879 0.310 -3.908 1.00 0.00 N ATOM 197 CA LEU A 13 12.952 0.147 -5.042 1.00 0.00 C ATOM 198 C LEU A 13 11.650 0.900 -4.779 1.00 0.00 C ATOM 199 O LEU A 13 11.186 0.935 -3.643 1.00 0.00 O ATOM 200 CB LEU A 13 12.667 -1.352 -5.254 1.00 0.00 C ATOM 201 CG LEU A 13 11.659 -1.686 -6.376 1.00 0.00 C ATOM 202 CD1 LEU A 13 12.135 -1.278 -7.774 1.00 0.00 C ATOM 203 CD2 LEU A 13 11.356 -3.185 -6.339 1.00 0.00 C ATOM 0 H LEU A 13 13.431 0.202 -2.998 1.00 0.00 H new ATOM 0 HA LEU A 13 13.409 0.560 -5.941 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.609 -1.855 -5.474 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.294 -1.769 -4.319 1.00 0.00 H new ATOM 0 HG LEU A 13 10.759 -1.101 -6.186 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.375 -1.544 -8.509 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.305 -0.202 -7.801 1.00 0.00 H new ATOM 0 HD13 LEU A 13 13.064 -1.798 -8.008 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.645 -3.432 -7.127 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.278 -3.746 -6.493 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.929 -3.446 -5.371 1.00 0.00 H new ATOM 215 N LYS A 14 11.031 1.485 -5.807 1.00 0.00 N ATOM 216 CA LYS A 14 9.772 2.221 -5.680 1.00 0.00 C ATOM 217 C LYS A 14 8.791 1.752 -6.747 1.00 0.00 C ATOM 218 O LYS A 14 9.224 1.433 -7.858 1.00 0.00 O ATOM 219 CB LYS A 14 9.987 3.742 -5.790 1.00 0.00 C ATOM 220 CG LYS A 14 10.812 4.377 -4.660 1.00 0.00 C ATOM 221 CD LYS A 14 12.166 4.946 -5.100 1.00 0.00 C ATOM 222 CE LYS A 14 13.225 3.872 -5.360 1.00 0.00 C ATOM 223 NZ LYS A 14 14.286 4.374 -6.248 1.00 0.00 N ATOM 0 H LYS A 14 11.394 1.461 -6.760 1.00 0.00 H new ATOM 0 HA LYS A 14 9.362 2.017 -4.691 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.479 3.954 -6.739 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.012 4.228 -5.821 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.227 5.177 -4.206 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.982 3.628 -3.887 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.026 5.534 -6.007 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.532 5.627 -4.332 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.661 3.551 -4.414 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.756 2.996 -5.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.990 3.625 -6.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.871 4.658 -7.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.748 5.195 -5.807 1.00 0.00 H new ATOM 237 N GLY A 15 7.489 1.775 -6.462 1.00 0.00 N ATOM 238 CA GLY A 15 6.451 1.350 -7.397 1.00 0.00 C ATOM 239 C GLY A 15 5.040 1.705 -6.936 1.00 0.00 C ATOM 240 O GLY A 15 4.873 2.319 -5.883 1.00 0.00 O ATOM 0 H GLY A 15 7.123 2.093 -5.565 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.635 1.811 -8.367 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.519 0.271 -7.538 1.00 0.00 H new ATOM 244 N GLU A 16 4.025 1.364 -7.737 1.00 0.00 N ATOM 245 CA GLU A 16 2.615 1.621 -7.441 1.00 0.00 C ATOM 246 C GLU A 16 1.728 0.459 -7.914 1.00 0.00 C ATOM 247 O GLU A 16 1.878 -0.004 -9.052 1.00 0.00 O ATOM 248 CB GLU A 16 2.126 2.926 -8.115 1.00 0.00 C ATOM 249 CG GLU A 16 2.583 4.202 -7.392 1.00 0.00 C ATOM 250 CD GLU A 16 1.933 5.501 -7.906 1.00 0.00 C ATOM 251 OE1 GLU A 16 1.522 5.611 -9.089 1.00 0.00 O ATOM 252 OE2 GLU A 16 1.725 6.439 -7.105 1.00 0.00 O ATOM 0 H GLU A 16 4.166 0.891 -8.629 1.00 0.00 H new ATOM 0 HA GLU A 16 2.535 1.723 -6.359 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.488 2.952 -9.143 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.037 2.915 -8.161 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.365 4.099 -6.329 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.665 4.290 -7.489 1.00 0.00 H new ATOM 259 N THR A 17 0.758 0.031 -7.094 1.00 0.00 N ATOM 260 CA THR A 17 -0.197 -1.046 -7.392 1.00 0.00 C ATOM 261 C THR A 17 -1.597 -0.647 -6.882 1.00 0.00 C ATOM 262 O THR A 17 -1.718 0.303 -6.100 1.00 0.00 O ATOM 263 CB THR A 17 0.304 -2.402 -6.827 1.00 0.00 C ATOM 264 OG1 THR A 17 -0.434 -3.454 -7.413 1.00 0.00 O ATOM 265 CG2 THR A 17 0.238 -2.554 -5.296 1.00 0.00 C ATOM 0 H THR A 17 0.611 0.440 -6.171 1.00 0.00 H new ATOM 0 HA THR A 17 -0.275 -1.187 -8.470 1.00 0.00 H new ATOM 0 HB THR A 17 1.363 -2.438 -7.084 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.118 -4.312 -7.059 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.612 -3.538 -5.012 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.850 -1.784 -4.827 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.795 -2.449 -4.964 1.00 0.00 H new ATOM 273 N THR A 18 -2.661 -1.337 -7.313 1.00 0.00 N ATOM 274 CA THR A 18 -4.039 -1.077 -6.897 1.00 0.00 C ATOM 275 C THR A 18 -4.815 -2.397 -6.790 1.00 0.00 C ATOM 276 O THR A 18 -4.537 -3.343 -7.534 1.00 0.00 O ATOM 277 CB THR A 18 -4.786 -0.168 -7.899 1.00 0.00 C ATOM 278 OG1 THR A 18 -4.749 -0.667 -9.221 1.00 0.00 O ATOM 279 CG2 THR A 18 -4.255 1.258 -7.956 1.00 0.00 C ATOM 0 H THR A 18 -2.582 -2.108 -7.976 1.00 0.00 H new ATOM 0 HA THR A 18 -3.987 -0.574 -5.931 1.00 0.00 H new ATOM 0 HB THR A 18 -5.806 -0.162 -7.514 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.236 -0.058 -9.814 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.831 1.832 -8.682 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.346 1.720 -6.973 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.207 1.244 -8.254 1.00 0.00 H new ATOM 287 N THR A 19 -5.737 -2.496 -5.833 1.00 0.00 N ATOM 288 CA THR A 19 -6.591 -3.663 -5.617 1.00 0.00 C ATOM 289 C THR A 19 -7.960 -3.198 -5.094 1.00 0.00 C ATOM 290 O THR A 19 -8.056 -2.105 -4.531 1.00 0.00 O ATOM 291 CB THR A 19 -5.872 -4.684 -4.720 1.00 0.00 C ATOM 292 OG1 THR A 19 -6.568 -5.911 -4.693 1.00 0.00 O ATOM 293 CG2 THR A 19 -5.691 -4.181 -3.294 1.00 0.00 C ATOM 0 H THR A 19 -5.915 -1.744 -5.167 1.00 0.00 H new ATOM 0 HA THR A 19 -6.785 -4.189 -6.552 1.00 0.00 H new ATOM 0 HB THR A 19 -4.884 -4.830 -5.157 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.091 -6.545 -4.118 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.178 -4.940 -2.703 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.098 -3.266 -3.303 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.667 -3.976 -2.854 1.00 0.00 H new ATOM 301 N GLU A 20 -9.039 -3.944 -5.341 1.00 0.00 N ATOM 302 CA GLU A 20 -10.373 -3.614 -4.849 1.00 0.00 C ATOM 303 C GLU A 20 -10.525 -4.409 -3.554 1.00 0.00 C ATOM 304 O GLU A 20 -10.456 -5.641 -3.584 1.00 0.00 O ATOM 305 CB GLU A 20 -11.473 -3.994 -5.844 1.00 0.00 C ATOM 306 CG GLU A 20 -11.434 -3.137 -7.121 1.00 0.00 C ATOM 307 CD GLU A 20 -12.230 -3.783 -8.257 1.00 0.00 C ATOM 308 OE1 GLU A 20 -13.195 -4.538 -7.990 1.00 0.00 O ATOM 309 OE2 GLU A 20 -11.865 -3.603 -9.445 1.00 0.00 O ATOM 0 H GLU A 20 -9.008 -4.801 -5.893 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.477 -2.539 -4.699 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.368 -5.045 -6.112 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.446 -3.883 -5.365 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.839 -2.148 -6.909 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.400 -2.997 -7.435 1.00 0.00 H new ATOM 316 N ALA A 21 -10.681 -3.734 -2.417 1.00 0.00 N ATOM 317 CA ALA A 21 -10.824 -4.378 -1.118 1.00 0.00 C ATOM 318 C ALA A 21 -12.145 -3.988 -0.467 1.00 0.00 C ATOM 319 O ALA A 21 -12.683 -2.912 -0.727 1.00 0.00 O ATOM 320 CB ALA A 21 -9.654 -3.967 -0.230 1.00 0.00 C ATOM 0 H ALA A 21 -10.712 -2.715 -2.374 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.822 -5.460 -1.250 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.752 -4.444 0.745 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.718 -4.279 -0.694 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.654 -2.884 -0.106 1.00 0.00 H new ATOM 326 N VAL A 22 -12.646 -4.854 0.413 1.00 0.00 N ATOM 327 CA VAL A 22 -13.901 -4.657 1.133 1.00 0.00 C ATOM 328 C VAL A 22 -13.781 -3.510 2.131 1.00 0.00 C ATOM 329 O VAL A 22 -14.704 -2.708 2.254 1.00 0.00 O ATOM 330 CB VAL A 22 -14.343 -5.981 1.779 1.00 0.00 C ATOM 331 CG1 VAL A 22 -13.385 -6.474 2.865 1.00 0.00 C ATOM 332 CG2 VAL A 22 -15.766 -5.912 2.342 1.00 0.00 C ATOM 0 H VAL A 22 -12.180 -5.730 0.649 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.684 -4.364 0.434 1.00 0.00 H new ATOM 0 HB VAL A 22 -14.324 -6.705 0.964 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -13.756 -7.412 3.279 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.397 -6.634 2.433 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -13.319 -5.729 3.657 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -16.028 -6.872 2.786 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -15.819 -5.133 3.103 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -16.465 -5.681 1.538 1.00 0.00 H new ATOM 342 N ASP A 23 -12.648 -3.385 2.806 1.00 0.00 N ATOM 343 CA ASP A 23 -12.400 -2.333 3.779 1.00 0.00 C ATOM 344 C ASP A 23 -10.918 -1.999 3.748 1.00 0.00 C ATOM 345 O ASP A 23 -10.095 -2.776 3.245 1.00 0.00 O ATOM 346 CB ASP A 23 -12.852 -2.764 5.188 1.00 0.00 C ATOM 347 CG ASP A 23 -14.289 -2.330 5.477 1.00 0.00 C ATOM 348 OD1 ASP A 23 -14.514 -1.102 5.572 1.00 0.00 O ATOM 349 OD2 ASP A 23 -15.184 -3.192 5.640 1.00 0.00 O ATOM 0 H ASP A 23 -11.861 -4.024 2.690 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.980 -1.446 3.524 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.773 -3.847 5.280 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.184 -2.331 5.933 1.00 0.00 H new ATOM 354 N ALA A 24 -10.560 -0.849 4.319 1.00 0.00 N ATOM 355 CA ALA A 24 -9.185 -0.385 4.361 1.00 0.00 C ATOM 356 C ALA A 24 -8.313 -1.350 5.153 1.00 0.00 C ATOM 357 O ALA A 24 -7.126 -1.448 4.867 1.00 0.00 O ATOM 358 CB ALA A 24 -9.123 1.017 4.954 1.00 0.00 C ATOM 0 H ALA A 24 -11.223 -0.215 4.765 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.799 -0.347 3.342 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.087 1.355 4.981 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.711 1.698 4.339 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.526 1.002 5.967 1.00 0.00 H new ATOM 364 N ALA A 25 -8.870 -2.072 6.132 1.00 0.00 N ATOM 365 CA ALA A 25 -8.111 -3.037 6.917 1.00 0.00 C ATOM 366 C ALA A 25 -7.637 -4.160 5.992 1.00 0.00 C ATOM 367 O ALA A 25 -6.470 -4.546 6.021 1.00 0.00 O ATOM 368 CB ALA A 25 -8.973 -3.582 8.052 1.00 0.00 C ATOM 0 H ALA A 25 -9.852 -2.001 6.397 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.241 -2.556 7.365 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.397 -4.302 8.633 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.285 -2.761 8.698 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.854 -4.072 7.637 1.00 0.00 H new ATOM 374 N THR A 26 -8.540 -4.700 5.180 1.00 0.00 N ATOM 375 CA THR A 26 -8.306 -5.755 4.207 1.00 0.00 C ATOM 376 C THR A 26 -7.296 -5.251 3.175 1.00 0.00 C ATOM 377 O THR A 26 -6.383 -5.986 2.798 1.00 0.00 O ATOM 378 CB THR A 26 -9.644 -6.110 3.530 1.00 0.00 C ATOM 379 OG1 THR A 26 -10.742 -5.825 4.380 1.00 0.00 O ATOM 380 CG2 THR A 26 -9.691 -7.569 3.076 1.00 0.00 C ATOM 0 H THR A 26 -9.513 -4.392 5.186 1.00 0.00 H new ATOM 0 HA THR A 26 -7.907 -6.648 4.689 1.00 0.00 H new ATOM 0 HB THR A 26 -9.719 -5.484 2.641 1.00 0.00 H new ATOM 0 HG1 THR A 26 -11.245 -6.648 4.552 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.653 -7.773 2.605 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.890 -7.753 2.360 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.564 -8.223 3.939 1.00 0.00 H new ATOM 388 N ALA A 27 -7.440 -3.991 2.744 1.00 0.00 N ATOM 389 CA ALA A 27 -6.546 -3.386 1.778 1.00 0.00 C ATOM 390 C ALA A 27 -5.137 -3.316 2.370 1.00 0.00 C ATOM 391 O ALA A 27 -4.178 -3.783 1.756 1.00 0.00 O ATOM 392 CB ALA A 27 -7.044 -1.980 1.415 1.00 0.00 C ATOM 0 H ALA A 27 -8.184 -3.371 3.063 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.523 -3.990 0.871 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.367 -1.531 0.688 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.044 -2.048 0.986 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.075 -1.362 2.312 1.00 0.00 H new ATOM 398 N GLU A 28 -5.018 -2.782 3.579 1.00 0.00 N ATOM 399 CA GLU A 28 -3.789 -2.622 4.342 1.00 0.00 C ATOM 400 C GLU A 28 -3.079 -3.976 4.463 1.00 0.00 C ATOM 401 O GLU A 28 -1.873 -4.065 4.265 1.00 0.00 O ATOM 402 CB GLU A 28 -4.194 -1.980 5.683 1.00 0.00 C ATOM 403 CG GLU A 28 -3.176 -2.024 6.817 1.00 0.00 C ATOM 404 CD GLU A 28 -3.677 -1.219 8.024 1.00 0.00 C ATOM 405 OE1 GLU A 28 -4.686 -1.632 8.656 1.00 0.00 O ATOM 406 OE2 GLU A 28 -3.129 -0.138 8.328 1.00 0.00 O ATOM 0 H GLU A 28 -5.830 -2.427 4.084 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.060 -1.970 3.861 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.444 -0.936 5.495 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.105 -2.468 6.029 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.996 -3.058 7.112 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.223 -1.620 6.474 1.00 0.00 H new ATOM 413 N LYS A 29 -3.815 -5.059 4.727 1.00 0.00 N ATOM 414 CA LYS A 29 -3.250 -6.400 4.856 1.00 0.00 C ATOM 415 C LYS A 29 -2.699 -6.882 3.520 1.00 0.00 C ATOM 416 O LYS A 29 -1.573 -7.380 3.478 1.00 0.00 O ATOM 417 CB LYS A 29 -4.328 -7.361 5.379 1.00 0.00 C ATOM 418 CG LYS A 29 -4.533 -7.151 6.881 1.00 0.00 C ATOM 419 CD LYS A 29 -5.695 -7.973 7.447 1.00 0.00 C ATOM 420 CE LYS A 29 -7.006 -7.189 7.461 1.00 0.00 C ATOM 421 NZ LYS A 29 -8.139 -8.031 7.891 1.00 0.00 N ATOM 0 H LYS A 29 -4.826 -5.027 4.858 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.424 -6.373 5.566 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.265 -7.192 4.849 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.033 -8.392 5.185 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.617 -7.417 7.408 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.716 -6.094 7.073 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.821 -8.877 6.852 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.453 -8.290 8.461 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.912 -6.335 8.131 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.204 -6.793 6.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.012 -7.466 7.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.244 -8.833 7.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.961 -8.389 8.851 1.00 0.00 H new ATOM 435 N VAL A 30 -3.477 -6.759 2.444 1.00 0.00 N ATOM 436 CA VAL A 30 -3.032 -7.185 1.119 1.00 0.00 C ATOM 437 C VAL A 30 -1.793 -6.386 0.732 1.00 0.00 C ATOM 438 O VAL A 30 -0.766 -6.962 0.381 1.00 0.00 O ATOM 439 CB VAL A 30 -4.187 -7.073 0.109 1.00 0.00 C ATOM 440 CG1 VAL A 30 -3.740 -7.161 -1.355 1.00 0.00 C ATOM 441 CG2 VAL A 30 -5.153 -8.225 0.389 1.00 0.00 C ATOM 0 H VAL A 30 -4.419 -6.368 2.465 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.745 -8.237 1.123 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.643 -6.091 0.237 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.609 -7.074 -2.007 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.042 -6.352 -1.572 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.250 -8.119 -1.529 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.988 -8.178 -0.310 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.632 -9.175 0.268 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.529 -8.145 1.409 1.00 0.00 H new ATOM 451 N PHE A 31 -1.855 -5.061 0.840 1.00 0.00 N ATOM 452 CA PHE A 31 -0.729 -4.215 0.515 1.00 0.00 C ATOM 453 C PHE A 31 0.471 -4.552 1.377 1.00 0.00 C ATOM 454 O PHE A 31 1.566 -4.566 0.835 1.00 0.00 O ATOM 455 CB PHE A 31 -1.105 -2.743 0.612 1.00 0.00 C ATOM 456 CG PHE A 31 -1.983 -2.222 -0.508 1.00 0.00 C ATOM 457 CD1 PHE A 31 -1.958 -2.772 -1.810 1.00 0.00 C ATOM 458 CD2 PHE A 31 -2.791 -1.104 -0.254 1.00 0.00 C ATOM 459 CE1 PHE A 31 -2.740 -2.219 -2.833 1.00 0.00 C ATOM 460 CE2 PHE A 31 -3.558 -0.535 -1.285 1.00 0.00 C ATOM 461 CZ PHE A 31 -3.537 -1.098 -2.573 1.00 0.00 C ATOM 0 H PHE A 31 -2.683 -4.555 1.153 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.446 -4.407 -0.520 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.618 -2.578 1.560 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.189 -2.152 0.638 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.331 -3.626 -2.018 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.824 -0.679 0.738 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.728 -2.657 -3.820 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.165 0.336 -1.087 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.135 -0.666 -3.361 1.00 0.00 H new ATOM 471 N LYS A 32 0.312 -4.863 2.666 1.00 0.00 N ATOM 472 CA LYS A 32 1.451 -5.226 3.514 1.00 0.00 C ATOM 473 C LYS A 32 2.162 -6.428 2.926 1.00 0.00 C ATOM 474 O LYS A 32 3.382 -6.431 2.806 1.00 0.00 O ATOM 475 CB LYS A 32 1.015 -5.525 4.958 1.00 0.00 C ATOM 476 CG LYS A 32 1.157 -4.275 5.838 1.00 0.00 C ATOM 477 CD LYS A 32 1.959 -4.599 7.100 1.00 0.00 C ATOM 478 CE LYS A 32 2.290 -3.301 7.853 1.00 0.00 C ATOM 479 NZ LYS A 32 3.645 -3.305 8.433 1.00 0.00 N ATOM 0 H LYS A 32 -0.589 -4.871 3.144 1.00 0.00 H new ATOM 0 HA LYS A 32 2.131 -4.375 3.546 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.020 -5.867 4.967 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.621 -6.334 5.366 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.653 -3.483 5.278 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.170 -3.902 6.112 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.388 -5.268 7.743 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.878 -5.121 6.834 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.195 -2.456 7.171 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.560 -3.152 8.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.813 -2.406 8.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.732 -4.093 9.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.347 -3.419 7.674 1.00 0.00 H new ATOM 493 N GLN A 33 1.394 -7.450 2.566 1.00 0.00 N ATOM 494 CA GLN A 33 1.909 -8.660 1.985 1.00 0.00 C ATOM 495 C GLN A 33 2.641 -8.304 0.694 1.00 0.00 C ATOM 496 O GLN A 33 3.721 -8.850 0.468 1.00 0.00 O ATOM 497 CB GLN A 33 0.737 -9.642 1.785 1.00 0.00 C ATOM 498 CG GLN A 33 1.081 -10.883 0.962 1.00 0.00 C ATOM 499 CD GLN A 33 1.945 -11.885 1.712 1.00 0.00 C ATOM 500 OE1 GLN A 33 1.453 -12.857 2.283 1.00 0.00 O ATOM 501 NE2 GLN A 33 3.243 -11.671 1.714 1.00 0.00 N ATOM 0 H GLN A 33 0.380 -7.450 2.676 1.00 0.00 H new ATOM 0 HA GLN A 33 2.632 -9.156 2.632 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.375 -9.959 2.763 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.083 -9.114 1.298 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.157 -11.372 0.652 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.600 -10.575 0.054 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.626 -10.857 1.233 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.866 -12.319 2.197 1.00 0.00 H new ATOM 510 N TYR A 34 2.080 -7.401 -0.119 1.00 0.00 N ATOM 511 CA TYR A 34 2.668 -6.996 -1.389 1.00 0.00 C ATOM 512 C TYR A 34 3.951 -6.194 -1.199 1.00 0.00 C ATOM 513 O TYR A 34 4.944 -6.439 -1.875 1.00 0.00 O ATOM 514 CB TYR A 34 1.643 -6.197 -2.196 1.00 0.00 C ATOM 515 CG TYR A 34 1.985 -6.128 -3.668 1.00 0.00 C ATOM 516 CD1 TYR A 34 1.714 -7.235 -4.490 1.00 0.00 C ATOM 517 CD2 TYR A 34 2.590 -4.983 -4.215 1.00 0.00 C ATOM 518 CE1 TYR A 34 2.063 -7.215 -5.851 1.00 0.00 C ATOM 519 CE2 TYR A 34 2.910 -4.944 -5.582 1.00 0.00 C ATOM 520 CZ TYR A 34 2.663 -6.064 -6.406 1.00 0.00 C ATOM 521 OH TYR A 34 3.009 -6.038 -7.722 1.00 0.00 O ATOM 0 H TYR A 34 1.200 -6.931 0.093 1.00 0.00 H new ATOM 0 HA TYR A 34 2.940 -7.898 -1.938 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.659 -6.651 -2.077 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.579 -5.186 -1.794 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.234 -8.108 -4.073 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.809 -4.134 -3.584 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.873 -8.078 -6.471 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.348 -4.052 -6.006 1.00 0.00 H new ATOM 0 HH TYR A 34 3.409 -5.170 -7.938 1.00 0.00 H new ATOM 531 N ALA A 35 3.964 -5.218 -0.295 1.00 0.00 N ATOM 532 CA ALA A 35 5.142 -4.409 -0.037 1.00 0.00 C ATOM 533 C ALA A 35 6.266 -5.312 0.446 1.00 0.00 C ATOM 534 O ALA A 35 7.367 -5.224 -0.098 1.00 0.00 O ATOM 535 CB ALA A 35 4.811 -3.330 0.976 1.00 0.00 C ATOM 0 H ALA A 35 3.157 -4.969 0.277 1.00 0.00 H new ATOM 0 HA ALA A 35 5.470 -3.912 -0.950 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.698 -2.725 1.167 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.016 -2.695 0.585 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.481 -3.793 1.906 1.00 0.00 H new ATOM 541 N ASN A 36 5.984 -6.214 1.396 1.00 0.00 N ATOM 542 CA ASN A 36 7.006 -7.127 1.891 1.00 0.00 C ATOM 543 C ASN A 36 7.482 -8.031 0.745 1.00 0.00 C ATOM 544 O ASN A 36 8.647 -8.412 0.734 1.00 0.00 O ATOM 545 CB ASN A 36 6.513 -7.942 3.108 1.00 0.00 C ATOM 546 CG ASN A 36 6.733 -9.437 2.924 1.00 0.00 C ATOM 547 OD1 ASN A 36 7.696 -10.008 3.429 1.00 0.00 O ATOM 548 ND2 ASN A 36 5.856 -10.077 2.167 1.00 0.00 N ATOM 0 H ASN A 36 5.067 -6.326 1.828 1.00 0.00 H new ATOM 0 HA ASN A 36 7.854 -6.542 2.248 1.00 0.00 H new ATOM 0 HB2 ASN A 36 7.036 -7.607 4.004 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.452 -7.749 3.267 1.00 0.00 H new ATOM 0 HD21 ASN A 36 5.969 -11.075 1.988 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.067 -9.572 1.763 1.00 0.00 H new ATOM 555 N ASP A 37 6.605 -8.361 -0.216 1.00 0.00 N ATOM 556 CA ASP A 37 6.957 -9.213 -1.353 1.00 0.00 C ATOM 557 C ASP A 37 8.031 -8.535 -2.196 1.00 0.00 C ATOM 558 O ASP A 37 8.844 -9.217 -2.810 1.00 0.00 O ATOM 559 CB ASP A 37 5.726 -9.579 -2.192 1.00 0.00 C ATOM 560 CG ASP A 37 6.035 -10.715 -3.162 1.00 0.00 C ATOM 561 OD1 ASP A 37 6.261 -11.855 -2.686 1.00 0.00 O ATOM 562 OD2 ASP A 37 5.982 -10.494 -4.396 1.00 0.00 O ATOM 0 H ASP A 37 5.636 -8.044 -0.223 1.00 0.00 H new ATOM 0 HA ASP A 37 7.359 -10.150 -0.969 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.908 -9.872 -1.533 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.389 -8.704 -2.748 1.00 0.00 H new ATOM 567 N ASN A 38 8.054 -7.196 -2.207 1.00 0.00 N ATOM 568 CA ASN A 38 9.040 -6.378 -2.913 1.00 0.00 C ATOM 569 C ASN A 38 10.183 -5.984 -1.957 1.00 0.00 C ATOM 570 O ASN A 38 11.114 -5.293 -2.371 1.00 0.00 O ATOM 571 CB ASN A 38 8.391 -5.115 -3.493 1.00 0.00 C ATOM 572 CG ASN A 38 7.386 -5.433 -4.583 1.00 0.00 C ATOM 573 OD1 ASN A 38 7.730 -5.573 -5.757 1.00 0.00 O ATOM 574 ND2 ASN A 38 6.127 -5.583 -4.216 1.00 0.00 N ATOM 0 H ASN A 38 7.363 -6.637 -1.707 1.00 0.00 H new ATOM 0 HA ASN A 38 9.444 -6.968 -3.736 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.895 -4.564 -2.694 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.166 -4.463 -3.896 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.418 -5.819 -4.910 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.863 -5.463 -3.238 1.00 0.00 H new ATOM 581 N GLY A 39 10.131 -6.391 -0.684 1.00 0.00 N ATOM 582 CA GLY A 39 11.119 -6.118 0.357 1.00 0.00 C ATOM 583 C GLY A 39 11.012 -4.702 0.913 1.00 0.00 C ATOM 584 O GLY A 39 12.009 -4.134 1.352 1.00 0.00 O ATOM 0 H GLY A 39 9.353 -6.951 -0.336 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.992 -6.834 1.169 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.119 -6.270 -0.048 1.00 0.00 H new ATOM 588 N VAL A 40 9.821 -4.106 0.878 1.00 0.00 N ATOM 589 CA VAL A 40 9.545 -2.763 1.346 1.00 0.00 C ATOM 590 C VAL A 40 8.797 -2.855 2.669 1.00 0.00 C ATOM 591 O VAL A 40 7.698 -3.403 2.731 1.00 0.00 O ATOM 592 CB VAL A 40 8.684 -2.021 0.308 1.00 0.00 C ATOM 593 CG1 VAL A 40 8.509 -0.544 0.682 1.00 0.00 C ATOM 594 CG2 VAL A 40 9.236 -2.101 -1.122 1.00 0.00 C ATOM 0 H VAL A 40 8.993 -4.571 0.506 1.00 0.00 H new ATOM 0 HA VAL A 40 10.477 -2.215 1.485 1.00 0.00 H new ATOM 0 HB VAL A 40 7.722 -2.534 0.324 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.896 -0.048 -0.071 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.020 -0.470 1.654 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.486 -0.063 0.729 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.577 -1.556 -1.797 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.232 -1.660 -1.153 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.291 -3.144 -1.433 1.00 0.00 H new ATOM 604 N ASP A 41 9.386 -2.307 3.725 1.00 0.00 N ATOM 605 CA ASP A 41 8.798 -2.273 5.049 1.00 0.00 C ATOM 606 C ASP A 41 9.291 -1.002 5.715 1.00 0.00 C ATOM 607 O ASP A 41 10.443 -0.928 6.156 1.00 0.00 O ATOM 608 CB ASP A 41 9.163 -3.502 5.871 1.00 0.00 C ATOM 609 CG ASP A 41 8.652 -3.333 7.299 1.00 0.00 C ATOM 610 OD1 ASP A 41 7.426 -3.164 7.498 1.00 0.00 O ATOM 611 OD2 ASP A 41 9.490 -3.276 8.223 1.00 0.00 O ATOM 0 H ASP A 41 10.305 -1.866 3.679 1.00 0.00 H new ATOM 0 HA ASP A 41 7.710 -2.281 4.976 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.728 -4.395 5.422 1.00 0.00 H new ATOM 0 HB3 ASP A 41 10.244 -3.641 5.875 1.00 0.00 H new ATOM 616 N GLY A 42 8.429 0.007 5.740 1.00 0.00 N ATOM 617 CA GLY A 42 8.709 1.303 6.326 1.00 0.00 C ATOM 618 C GLY A 42 7.523 1.885 7.073 1.00 0.00 C ATOM 619 O GLY A 42 6.734 1.161 7.679 1.00 0.00 O ATOM 0 H GLY A 42 7.492 -0.060 5.342 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.553 1.212 7.010 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.010 1.994 5.539 1.00 0.00 H new ATOM 623 N GLU A 43 7.429 3.213 7.059 1.00 0.00 N ATOM 624 CA GLU A 43 6.366 3.956 7.706 1.00 0.00 C ATOM 625 C GLU A 43 5.184 4.054 6.739 1.00 0.00 C ATOM 626 O GLU A 43 5.299 4.705 5.695 1.00 0.00 O ATOM 627 CB GLU A 43 6.850 5.337 8.161 1.00 0.00 C ATOM 628 CG GLU A 43 5.781 5.937 9.091 1.00 0.00 C ATOM 629 CD GLU A 43 5.695 7.463 9.091 1.00 0.00 C ATOM 630 OE1 GLU A 43 5.842 8.080 8.009 1.00 0.00 O ATOM 631 OE2 GLU A 43 5.369 8.021 10.166 1.00 0.00 O ATOM 0 H GLU A 43 8.108 3.809 6.585 1.00 0.00 H new ATOM 0 HA GLU A 43 6.046 3.434 8.608 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.804 5.253 8.682 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.013 5.986 7.300 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.809 5.535 8.806 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.979 5.601 10.109 1.00 0.00 H new ATOM 638 N TRP A 44 4.070 3.402 7.071 1.00 0.00 N ATOM 639 CA TRP A 44 2.858 3.383 6.264 1.00 0.00 C ATOM 640 C TRP A 44 1.935 4.563 6.595 1.00 0.00 C ATOM 641 O TRP A 44 1.618 4.791 7.765 1.00 0.00 O ATOM 642 CB TRP A 44 2.119 2.065 6.508 1.00 0.00 C ATOM 643 CG TRP A 44 2.830 0.827 6.043 1.00 0.00 C ATOM 644 CD1 TRP A 44 3.913 0.252 6.614 1.00 0.00 C ATOM 645 CD2 TRP A 44 2.521 0.002 4.890 1.00 0.00 C ATOM 646 NE1 TRP A 44 4.303 -0.859 5.893 1.00 0.00 N ATOM 647 CE2 TRP A 44 3.463 -1.065 4.829 1.00 0.00 C ATOM 648 CE3 TRP A 44 1.539 0.057 3.882 1.00 0.00 C ATOM 649 CZ2 TRP A 44 3.437 -2.029 3.822 1.00 0.00 C ATOM 650 CZ3 TRP A 44 1.484 -0.932 2.884 1.00 0.00 C ATOM 651 CH2 TRP A 44 2.434 -1.960 2.844 1.00 0.00 C ATOM 0 H TRP A 44 3.987 2.860 7.931 1.00 0.00 H new ATOM 0 HA TRP A 44 3.142 3.472 5.216 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.924 1.971 7.576 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.150 2.115 6.010 1.00 0.00 H new ATOM 0 HD1 TRP A 44 4.403 0.611 7.507 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.106 -1.446 6.121 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.823 0.865 3.875 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.177 -2.816 3.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.701 -0.898 2.141 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.394 -2.701 2.059 1.00 0.00 H new ATOM 662 N THR A 45 1.410 5.238 5.576 1.00 0.00 N ATOM 663 CA THR A 45 0.517 6.399 5.661 1.00 0.00 C ATOM 664 C THR A 45 -0.786 6.099 4.902 1.00 0.00 C ATOM 665 O THR A 45 -0.845 5.089 4.194 1.00 0.00 O ATOM 666 CB THR A 45 1.255 7.638 5.116 1.00 0.00 C ATOM 667 OG1 THR A 45 1.488 7.501 3.733 1.00 0.00 O ATOM 668 CG2 THR A 45 2.605 7.873 5.797 1.00 0.00 C ATOM 0 H THR A 45 1.606 4.977 4.610 1.00 0.00 H new ATOM 0 HA THR A 45 0.243 6.608 6.695 1.00 0.00 H new ATOM 0 HB THR A 45 0.607 8.489 5.324 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.919 6.638 3.558 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.078 8.758 5.372 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.452 8.021 6.866 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.248 7.007 5.639 1.00 0.00 H new ATOM 676 N TYR A 46 -1.834 6.929 5.018 1.00 0.00 N ATOM 677 CA TYR A 46 -3.120 6.717 4.350 1.00 0.00 C ATOM 678 C TYR A 46 -3.782 8.042 3.979 1.00 0.00 C ATOM 679 O TYR A 46 -4.041 8.872 4.852 1.00 0.00 O ATOM 680 CB TYR A 46 -4.049 5.911 5.269 1.00 0.00 C ATOM 681 CG TYR A 46 -5.464 5.704 4.759 1.00 0.00 C ATOM 682 CD1 TYR A 46 -5.679 5.083 3.517 1.00 0.00 C ATOM 683 CD2 TYR A 46 -6.564 6.129 5.529 1.00 0.00 C ATOM 684 CE1 TYR A 46 -6.988 4.911 3.031 1.00 0.00 C ATOM 685 CE2 TYR A 46 -7.874 5.930 5.062 1.00 0.00 C ATOM 686 CZ TYR A 46 -8.094 5.332 3.802 1.00 0.00 C ATOM 687 OH TYR A 46 -9.356 5.211 3.303 1.00 0.00 O ATOM 0 H TYR A 46 -1.808 7.776 5.586 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.938 6.164 3.429 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.599 4.934 5.443 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.101 6.414 6.234 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.838 4.737 2.934 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -6.400 6.610 6.482 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -7.148 4.455 2.065 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.714 6.235 5.668 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.975 5.740 3.848 1.00 0.00 H new ATOM 697 N ASP A 47 -4.046 8.219 2.685 1.00 0.00 N ATOM 698 CA ASP A 47 -4.674 9.353 2.029 1.00 0.00 C ATOM 699 C ASP A 47 -6.073 8.876 1.649 1.00 0.00 C ATOM 700 O ASP A 47 -6.310 8.431 0.523 1.00 0.00 O ATOM 701 CB ASP A 47 -3.889 9.774 0.763 1.00 0.00 C ATOM 702 CG ASP A 47 -2.543 10.453 0.994 1.00 0.00 C ATOM 703 OD1 ASP A 47 -2.421 11.212 1.983 1.00 0.00 O ATOM 704 OD2 ASP A 47 -1.639 10.338 0.128 1.00 0.00 O ATOM 0 H ASP A 47 -3.799 7.497 2.008 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.698 10.225 2.682 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.723 8.886 0.153 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.516 10.449 0.181 1.00 0.00 H new ATOM 709 N ASP A 48 -7.013 8.966 2.589 1.00 0.00 N ATOM 710 CA ASP A 48 -8.408 8.542 2.415 1.00 0.00 C ATOM 711 C ASP A 48 -9.076 9.171 1.200 1.00 0.00 C ATOM 712 O ASP A 48 -9.844 8.526 0.488 1.00 0.00 O ATOM 713 CB ASP A 48 -9.211 8.935 3.655 1.00 0.00 C ATOM 714 CG ASP A 48 -10.581 8.256 3.669 1.00 0.00 C ATOM 715 OD1 ASP A 48 -11.514 8.792 3.036 1.00 0.00 O ATOM 716 OD2 ASP A 48 -10.728 7.202 4.321 1.00 0.00 O ATOM 0 H ASP A 48 -6.824 9.345 3.517 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.392 7.462 2.267 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.657 8.659 4.552 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.339 10.017 3.680 1.00 0.00 H new ATOM 721 N ALA A 49 -8.726 10.430 0.939 1.00 0.00 N ATOM 722 CA ALA A 49 -9.262 11.213 -0.178 1.00 0.00 C ATOM 723 C ALA A 49 -9.104 10.504 -1.530 1.00 0.00 C ATOM 724 O ALA A 49 -9.989 10.573 -2.387 1.00 0.00 O ATOM 725 CB ALA A 49 -8.565 12.574 -0.233 1.00 0.00 C ATOM 0 H ALA A 49 -8.052 10.944 1.506 1.00 0.00 H new ATOM 0 HA ALA A 49 -10.330 11.336 0.001 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.965 13.154 -1.064 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.739 13.110 0.700 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.494 12.429 -0.374 1.00 0.00 H new ATOM 731 N THR A 50 -7.984 9.813 -1.722 1.00 0.00 N ATOM 732 CA THR A 50 -7.662 9.086 -2.944 1.00 0.00 C ATOM 733 C THR A 50 -7.660 7.571 -2.716 1.00 0.00 C ATOM 734 O THR A 50 -7.575 6.795 -3.668 1.00 0.00 O ATOM 735 CB THR A 50 -6.381 9.697 -3.541 1.00 0.00 C ATOM 736 OG1 THR A 50 -5.962 9.086 -4.743 1.00 0.00 O ATOM 737 CG2 THR A 50 -5.230 9.698 -2.537 1.00 0.00 C ATOM 0 H THR A 50 -7.256 9.742 -1.011 1.00 0.00 H new ATOM 0 HA THR A 50 -8.436 9.204 -3.702 1.00 0.00 H new ATOM 0 HB THR A 50 -6.652 10.725 -3.781 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.315 8.173 -4.786 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.345 10.137 -2.998 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.511 10.283 -1.661 1.00 0.00 H new ATOM 0 HG23 THR A 50 -5.011 8.674 -2.234 1.00 0.00 H new ATOM 745 N LYS A 51 -7.908 7.145 -1.475 1.00 0.00 N ATOM 746 CA LYS A 51 -7.917 5.756 -1.028 1.00 0.00 C ATOM 747 C LYS A 51 -6.569 5.157 -1.416 1.00 0.00 C ATOM 748 O LYS A 51 -6.494 4.132 -2.094 1.00 0.00 O ATOM 749 CB LYS A 51 -9.133 4.971 -1.546 1.00 0.00 C ATOM 750 CG LYS A 51 -10.451 5.675 -1.200 1.00 0.00 C ATOM 751 CD LYS A 51 -11.660 4.785 -1.489 1.00 0.00 C ATOM 752 CE LYS A 51 -11.858 3.756 -0.371 1.00 0.00 C ATOM 753 NZ LYS A 51 -13.213 3.177 -0.407 1.00 0.00 N ATOM 0 H LYS A 51 -8.118 7.796 -0.718 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.036 5.697 0.054 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.056 4.853 -2.627 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.131 3.970 -1.115 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.449 5.955 -0.147 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.533 6.598 -1.775 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.555 5.400 -1.586 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.521 4.272 -2.441 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.118 2.962 -0.470 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.689 4.230 0.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.315 2.484 0.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.917 3.933 -0.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.364 2.704 -1.321 1.00 0.00 H new ATOM 767 N THR A 52 -5.504 5.817 -0.960 1.00 0.00 N ATOM 768 CA THR A 52 -4.147 5.396 -1.247 1.00 0.00 C ATOM 769 C THR A 52 -3.313 5.326 0.029 1.00 0.00 C ATOM 770 O THR A 52 -3.516 6.124 0.941 1.00 0.00 O ATOM 771 CB THR A 52 -3.544 6.415 -2.227 1.00 0.00 C ATOM 772 OG1 THR A 52 -4.365 6.583 -3.370 1.00 0.00 O ATOM 773 CG2 THR A 52 -2.143 6.029 -2.693 1.00 0.00 C ATOM 0 H THR A 52 -5.565 6.656 -0.383 1.00 0.00 H new ATOM 0 HA THR A 52 -4.150 4.397 -1.683 1.00 0.00 H new ATOM 0 HB THR A 52 -3.481 7.350 -1.671 1.00 0.00 H new ATOM 0 HG1 THR A 52 -3.956 7.238 -3.973 1.00 0.00 H new ATOM 0 HG21 THR A 52 -1.768 6.785 -3.383 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.479 5.962 -1.832 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.181 5.064 -3.198 1.00 0.00 H new ATOM 781 N PHE A 53 -2.402 4.361 0.124 1.00 0.00 N ATOM 782 CA PHE A 53 -1.473 4.184 1.236 1.00 0.00 C ATOM 783 C PHE A 53 -0.074 4.394 0.657 1.00 0.00 C ATOM 784 O PHE A 53 0.153 4.073 -0.513 1.00 0.00 O ATOM 785 CB PHE A 53 -1.497 2.768 1.832 1.00 0.00 C ATOM 786 CG PHE A 53 -2.761 2.322 2.532 1.00 0.00 C ATOM 787 CD1 PHE A 53 -2.976 2.592 3.896 1.00 0.00 C ATOM 788 CD2 PHE A 53 -3.678 1.527 1.833 1.00 0.00 C ATOM 789 CE1 PHE A 53 -4.104 2.069 4.550 1.00 0.00 C ATOM 790 CE2 PHE A 53 -4.812 1.007 2.479 1.00 0.00 C ATOM 791 CZ PHE A 53 -5.026 1.279 3.841 1.00 0.00 C ATOM 0 H PHE A 53 -2.286 3.653 -0.601 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.750 4.881 2.027 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.292 2.062 1.027 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.674 2.689 2.543 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.272 3.203 4.442 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.512 1.312 0.788 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.263 2.274 5.598 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.517 0.400 1.931 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.897 0.882 4.342 1.00 0.00 H new ATOM 801 N THR A 54 0.875 4.899 1.441 1.00 0.00 N ATOM 802 CA THR A 54 2.246 5.103 0.989 1.00 0.00 C ATOM 803 C THR A 54 3.146 4.505 2.065 1.00 0.00 C ATOM 804 O THR A 54 2.906 4.748 3.243 1.00 0.00 O ATOM 805 CB THR A 54 2.518 6.593 0.719 1.00 0.00 C ATOM 806 OG1 THR A 54 1.529 7.123 -0.147 1.00 0.00 O ATOM 807 CG2 THR A 54 3.904 6.861 0.126 1.00 0.00 C ATOM 0 H THR A 54 0.714 5.178 2.409 1.00 0.00 H new ATOM 0 HA THR A 54 2.442 4.609 0.038 1.00 0.00 H new ATOM 0 HB THR A 54 2.482 7.088 1.690 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.712 8.072 -0.310 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.028 7.931 -0.039 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.670 6.509 0.817 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.002 6.334 -0.823 1.00 0.00 H new ATOM 815 N VAL A 55 4.139 3.702 1.689 1.00 0.00 N ATOM 816 CA VAL A 55 5.070 3.082 2.626 1.00 0.00 C ATOM 817 C VAL A 55 6.450 3.635 2.312 1.00 0.00 C ATOM 818 O VAL A 55 6.978 3.378 1.230 1.00 0.00 O ATOM 819 CB VAL A 55 4.970 1.541 2.600 1.00 0.00 C ATOM 820 CG1 VAL A 55 5.124 0.903 1.215 1.00 0.00 C ATOM 821 CG2 VAL A 55 6.001 0.907 3.547 1.00 0.00 C ATOM 0 H VAL A 55 4.321 3.462 0.715 1.00 0.00 H new ATOM 0 HA VAL A 55 4.825 3.331 3.658 1.00 0.00 H new ATOM 0 HB VAL A 55 3.952 1.335 2.930 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.039 -0.180 1.302 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.342 1.277 0.553 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.100 1.158 0.803 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.910 -0.179 3.510 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.005 1.197 3.238 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.820 1.252 4.565 1.00 0.00 H new ATOM 831 N THR A 56 7.007 4.434 3.216 1.00 0.00 N ATOM 832 CA THR A 56 8.331 5.015 3.031 1.00 0.00 C ATOM 833 C THR A 56 9.297 4.162 3.850 1.00 0.00 C ATOM 834 O THR A 56 9.277 4.240 5.082 1.00 0.00 O ATOM 835 CB THR A 56 8.368 6.494 3.423 1.00 0.00 C ATOM 836 OG1 THR A 56 7.171 7.182 3.092 1.00 0.00 O ATOM 837 CG2 THR A 56 9.489 7.224 2.689 1.00 0.00 C ATOM 0 H THR A 56 6.556 4.696 4.093 1.00 0.00 H new ATOM 0 HA THR A 56 8.619 5.005 1.980 1.00 0.00 H new ATOM 0 HB THR A 56 8.516 6.498 4.503 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.247 8.120 3.365 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.495 8.273 2.984 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.447 6.770 2.944 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.328 7.151 1.613 1.00 0.00 H new ATOM 845 N GLU A 57 10.027 3.272 3.179 1.00 0.00 N ATOM 846 CA GLU A 57 11.001 2.333 3.735 1.00 0.00 C ATOM 847 C GLU A 57 12.006 3.061 4.622 1.00 0.00 C ATOM 848 O GLU A 57 12.567 4.084 4.186 1.00 0.00 O ATOM 849 CB GLU A 57 11.645 1.571 2.570 1.00 0.00 C ATOM 850 CG GLU A 57 12.339 0.269 2.959 1.00 0.00 C ATOM 851 CD GLU A 57 13.046 -0.389 1.759 1.00 0.00 C ATOM 852 OE1 GLU A 57 13.167 0.248 0.686 1.00 0.00 O ATOM 853 OE2 GLU A 57 13.520 -1.541 1.889 1.00 0.00 O ATOM 0 H GLU A 57 9.949 3.182 2.166 1.00 0.00 H new ATOM 0 HA GLU A 57 10.518 1.605 4.388 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.875 1.349 1.831 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.372 2.223 2.086 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.068 0.467 3.745 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.605 -0.423 3.372 1.00 0.00 H new TER 860 GLU A 57