USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=19 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 9 ASN : amide:sc= 0.987 K(o=2.2,f=-4) USER MOD Set 1.2: A 14 LYS NZ :NH3+ -169:sc= 1.21 (180deg=0) USER MOD Single : A 1 MET CE :methyl -176:sc= 0 (180deg=-0.02) USER MOD Single : A 1 MET N :NH3+ 153:sc= 0.0281 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 30:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -154:sc= 1.23 (180deg=1.21) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 104:sc= 0.719 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 105:sc= 0.807 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 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 33 GLN : amide:sc= 0 X(o=0,f=-0.008) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.273 USER MOD Single : A 36 ASN : amide:sc= -0.924! K(o=-0.92!,f=-0.14) USER MOD Single : A 38 ASN : amide:sc= -0.688 K(o=-0.69,f=-1.6!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -178:sc= 0.385 (180deg=0.383) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 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 -16.296 0.397 -0.330 1.00 0.00 N ATOM 2 CA MET A 1 -15.578 1.160 0.700 1.00 0.00 C ATOM 3 C MET A 1 -15.042 0.167 1.715 1.00 0.00 C ATOM 4 O MET A 1 -15.780 -0.720 2.146 1.00 0.00 O ATOM 5 CB MET A 1 -16.499 2.183 1.381 1.00 0.00 C ATOM 6 CG MET A 1 -15.726 3.145 2.296 1.00 0.00 C ATOM 7 SD MET A 1 -16.672 3.793 3.699 1.00 0.00 S ATOM 8 CE MET A 1 -18.072 4.573 2.856 1.00 0.00 C ATOM 0 H1 MET A 1 -17.030 0.997 -0.757 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.627 0.092 -1.065 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.740 -0.438 0.103 1.00 0.00 H new ATOM 0 HA MET A 1 -14.763 1.722 0.244 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.028 2.756 0.619 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.254 1.657 1.966 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.845 2.630 2.678 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.370 3.984 1.698 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.703 5.076 3.588 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.702 5.301 2.134 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.655 3.812 2.337 1.00 0.00 H new ATOM 18 N GLY A 2 -13.763 0.261 2.072 1.00 0.00 N ATOM 19 CA GLY A 2 -13.172 -0.646 3.039 1.00 0.00 C ATOM 20 C GLY A 2 -11.909 -0.060 3.638 1.00 0.00 C ATOM 21 O GLY A 2 -11.419 0.978 3.185 1.00 0.00 O ATOM 0 H GLY A 2 -13.119 0.960 1.702 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -13.890 -0.856 3.832 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -12.942 -1.596 2.557 1.00 0.00 H new ATOM 25 N THR A 3 -11.367 -0.767 4.624 1.00 0.00 N ATOM 26 CA THR A 3 -10.160 -0.412 5.345 1.00 0.00 C ATOM 27 C THR A 3 -9.033 -1.157 4.640 1.00 0.00 C ATOM 28 O THR A 3 -9.003 -2.390 4.656 1.00 0.00 O ATOM 29 CB THR A 3 -10.316 -0.841 6.819 1.00 0.00 C ATOM 30 OG1 THR A 3 -11.246 -0.001 7.484 1.00 0.00 O ATOM 31 CG2 THR A 3 -8.999 -0.814 7.604 1.00 0.00 C ATOM 0 H THR A 3 -11.779 -1.640 4.953 1.00 0.00 H new ATOM 0 HA THR A 3 -9.955 0.659 5.350 1.00 0.00 H new ATOM 0 HB THR A 3 -10.669 -1.872 6.789 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.336 -0.286 8.417 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.182 -1.127 8.632 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.285 -1.494 7.140 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.593 0.198 7.599 1.00 0.00 H new ATOM 39 N TYR A 4 -8.130 -0.408 4.010 1.00 0.00 N ATOM 40 CA TYR A 4 -6.994 -0.953 3.294 1.00 0.00 C ATOM 41 C TYR A 4 -5.813 -0.959 4.253 1.00 0.00 C ATOM 42 O TYR A 4 -5.719 -0.100 5.137 1.00 0.00 O ATOM 43 CB TYR A 4 -6.654 -0.075 2.079 1.00 0.00 C ATOM 44 CG TYR A 4 -7.701 -0.074 0.983 1.00 0.00 C ATOM 45 CD1 TYR A 4 -8.764 0.852 0.998 1.00 0.00 C ATOM 46 CD2 TYR A 4 -7.606 -1.012 -0.060 1.00 0.00 C ATOM 47 CE1 TYR A 4 -9.729 0.843 -0.027 1.00 0.00 C ATOM 48 CE2 TYR A 4 -8.554 -1.019 -1.093 1.00 0.00 C ATOM 49 CZ TYR A 4 -9.618 -0.092 -1.081 1.00 0.00 C ATOM 50 OH TYR A 4 -10.549 -0.172 -2.068 1.00 0.00 O ATOM 0 H TYR A 4 -8.174 0.611 3.986 1.00 0.00 H new ATOM 0 HA TYR A 4 -7.222 -1.958 2.938 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -6.504 0.949 2.419 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -5.707 -0.413 1.658 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -8.838 1.572 1.800 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -6.799 -1.730 -0.066 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -10.549 1.546 -0.008 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -8.470 -1.734 -1.898 1.00 0.00 H new ATOM 0 HH TYR A 4 -10.950 0.711 -2.212 1.00 0.00 H new ATOM 60 N LYS A 5 -4.908 -1.917 4.071 1.00 0.00 N ATOM 61 CA LYS A 5 -3.711 -2.099 4.877 1.00 0.00 C ATOM 62 C LYS A 5 -2.572 -2.129 3.882 1.00 0.00 C ATOM 63 O LYS A 5 -2.474 -3.089 3.119 1.00 0.00 O ATOM 64 CB LYS A 5 -3.803 -3.385 5.709 1.00 0.00 C ATOM 65 CG LYS A 5 -5.069 -3.392 6.574 1.00 0.00 C ATOM 66 CD LYS A 5 -5.069 -4.575 7.534 1.00 0.00 C ATOM 67 CE LYS A 5 -6.304 -4.450 8.427 1.00 0.00 C ATOM 68 NZ LYS A 5 -6.790 -5.774 8.841 1.00 0.00 N ATOM 0 H LYS A 5 -4.994 -2.612 3.330 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.570 -1.301 5.606 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.806 -4.251 5.047 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.923 -3.474 6.346 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.133 -2.462 7.138 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.950 -3.438 5.934 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.090 -5.515 6.982 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.160 -4.579 8.136 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.062 -3.856 9.308 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.092 -3.920 7.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -7.628 -5.662 9.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.042 -6.330 7.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.044 -6.268 9.371 1.00 0.00 H new ATOM 82 N LEU A 6 -1.804 -1.043 3.813 1.00 0.00 N ATOM 83 CA LEU A 6 -0.684 -0.906 2.900 1.00 0.00 C ATOM 84 C LEU A 6 0.598 -1.247 3.640 1.00 0.00 C ATOM 85 O LEU A 6 0.987 -0.544 4.580 1.00 0.00 O ATOM 86 CB LEU A 6 -0.690 0.488 2.259 1.00 0.00 C ATOM 87 CG LEU A 6 0.236 0.689 1.042 1.00 0.00 C ATOM 88 CD1 LEU A 6 1.700 0.881 1.426 1.00 0.00 C ATOM 89 CD2 LEU A 6 0.112 -0.421 -0.005 1.00 0.00 C ATOM 0 H LEU A 6 -1.950 -0.223 4.402 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.765 -1.607 2.069 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.710 0.719 1.953 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.414 1.216 3.022 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.117 1.615 0.589 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.298 1.017 0.525 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.797 1.761 2.062 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.053 0.002 1.966 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.790 -0.217 -0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.369 -1.379 0.448 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.912 -0.459 -0.376 1.00 0.00 H new ATOM 101 N ILE A 7 1.203 -2.366 3.249 1.00 0.00 N ATOM 102 CA ILE A 7 2.442 -2.888 3.798 1.00 0.00 C ATOM 103 C ILE A 7 3.541 -2.572 2.775 1.00 0.00 C ATOM 104 O ILE A 7 3.326 -2.624 1.561 1.00 0.00 O ATOM 105 CB ILE A 7 2.312 -4.404 4.108 1.00 0.00 C ATOM 106 CG1 ILE A 7 1.403 -4.734 5.317 1.00 0.00 C ATOM 107 CG2 ILE A 7 3.669 -5.058 4.448 1.00 0.00 C ATOM 108 CD1 ILE A 7 -0.083 -4.382 5.187 1.00 0.00 C ATOM 0 H ILE A 7 0.823 -2.956 2.509 1.00 0.00 H new ATOM 0 HA ILE A 7 2.691 -2.424 4.752 1.00 0.00 H new ATOM 0 HB ILE A 7 1.880 -4.795 3.186 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.482 -5.802 5.518 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.799 -4.215 6.190 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.520 -6.118 4.656 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.349 -4.946 3.603 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.097 -4.573 5.325 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.605 -4.665 6.101 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.190 -3.309 5.025 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.512 -4.921 4.343 1.00 0.00 H new ATOM 120 N LEU A 8 4.714 -2.206 3.280 1.00 0.00 N ATOM 121 CA LEU A 8 5.917 -1.874 2.530 1.00 0.00 C ATOM 122 C LEU A 8 6.822 -3.092 2.659 1.00 0.00 C ATOM 123 O LEU A 8 7.129 -3.482 3.786 1.00 0.00 O ATOM 124 CB LEU A 8 6.621 -0.661 3.174 1.00 0.00 C ATOM 125 CG LEU A 8 6.314 0.727 2.590 1.00 0.00 C ATOM 126 CD1 LEU A 8 4.814 0.985 2.507 1.00 0.00 C ATOM 127 CD2 LEU A 8 6.985 1.787 3.474 1.00 0.00 C ATOM 0 H LEU A 8 4.858 -2.129 4.287 1.00 0.00 H new ATOM 0 HA LEU A 8 5.688 -1.627 1.493 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.364 -0.645 4.233 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.697 -0.823 3.110 1.00 0.00 H new ATOM 0 HG LEU A 8 6.705 0.776 1.574 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.638 1.976 2.089 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.350 0.234 1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.379 0.930 3.505 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.777 2.779 3.074 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.593 1.716 4.489 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.062 1.620 3.489 1.00 0.00 H new ATOM 139 N ASN A 9 7.259 -3.686 1.549 1.00 0.00 N ATOM 140 CA ASN A 9 8.144 -4.845 1.550 1.00 0.00 C ATOM 141 C ASN A 9 9.371 -4.465 0.724 1.00 0.00 C ATOM 142 O ASN A 9 9.373 -4.649 -0.496 1.00 0.00 O ATOM 143 CB ASN A 9 7.409 -6.092 1.037 1.00 0.00 C ATOM 144 CG ASN A 9 8.296 -7.325 1.091 1.00 0.00 C ATOM 145 OD1 ASN A 9 8.185 -8.126 2.015 1.00 0.00 O ATOM 146 ND2 ASN A 9 9.199 -7.481 0.141 1.00 0.00 N ATOM 0 H ASN A 9 7.004 -3.370 0.613 1.00 0.00 H new ATOM 0 HA ASN A 9 8.468 -5.111 2.556 1.00 0.00 H new ATOM 0 HB2 ASN A 9 6.514 -6.260 1.636 1.00 0.00 H new ATOM 0 HB3 ASN A 9 7.079 -5.925 0.012 1.00 0.00 H new ATOM 0 HD21 ASN A 9 9.828 -8.284 0.162 1.00 0.00 H new ATOM 0 HD22 ASN A 9 9.268 -6.799 -0.614 1.00 0.00 H new ATOM 153 N GLY A 10 10.389 -3.883 1.368 1.00 0.00 N ATOM 154 CA GLY A 10 11.614 -3.456 0.708 1.00 0.00 C ATOM 155 C GLY A 10 12.847 -4.193 1.225 1.00 0.00 C ATOM 156 O GLY A 10 12.911 -4.541 2.399 1.00 0.00 O ATOM 0 H GLY A 10 10.379 -3.696 2.371 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.520 -3.621 -0.365 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.747 -2.384 0.856 1.00 0.00 H new ATOM 160 N LYS A 11 13.881 -4.315 0.382 1.00 0.00 N ATOM 161 CA LYS A 11 15.179 -4.971 0.632 1.00 0.00 C ATOM 162 C LYS A 11 16.022 -4.367 1.764 1.00 0.00 C ATOM 163 O LYS A 11 17.188 -4.747 1.926 1.00 0.00 O ATOM 164 CB LYS A 11 16.023 -5.008 -0.666 1.00 0.00 C ATOM 165 CG LYS A 11 16.590 -3.650 -1.151 1.00 0.00 C ATOM 166 CD LYS A 11 15.596 -2.891 -2.028 1.00 0.00 C ATOM 167 CE LYS A 11 16.106 -1.580 -2.625 1.00 0.00 C ATOM 168 NZ LYS A 11 15.062 -0.989 -3.492 1.00 0.00 N ATOM 0 H LYS A 11 13.832 -3.931 -0.562 1.00 0.00 H new ATOM 0 HA LYS A 11 14.915 -5.975 0.965 1.00 0.00 H new ATOM 0 HB2 LYS A 11 16.857 -5.693 -0.513 1.00 0.00 H new ATOM 0 HB3 LYS A 11 15.408 -5.427 -1.463 1.00 0.00 H new ATOM 0 HG2 LYS A 11 16.852 -3.038 -0.288 1.00 0.00 H new ATOM 0 HG3 LYS A 11 17.509 -3.821 -1.711 1.00 0.00 H new ATOM 0 HD2 LYS A 11 15.287 -3.544 -2.844 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.706 -2.677 -1.436 1.00 0.00 H new ATOM 0 HE2 LYS A 11 16.368 -0.884 -1.828 1.00 0.00 H new ATOM 0 HE3 LYS A 11 17.013 -1.760 -3.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.509 -0.388 -4.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.526 -1.749 -3.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.416 -0.414 -2.915 1.00 0.00 H new ATOM 182 N THR A 12 15.494 -3.392 2.493 1.00 0.00 N ATOM 183 CA THR A 12 16.181 -2.717 3.576 1.00 0.00 C ATOM 184 C THR A 12 15.239 -2.433 4.745 1.00 0.00 C ATOM 185 O THR A 12 15.696 -2.459 5.889 1.00 0.00 O ATOM 186 CB THR A 12 16.761 -1.403 3.014 1.00 0.00 C ATOM 187 OG1 THR A 12 17.581 -1.657 1.888 1.00 0.00 O ATOM 188 CG2 THR A 12 17.611 -0.644 4.030 1.00 0.00 C ATOM 0 H THR A 12 14.548 -3.042 2.339 1.00 0.00 H new ATOM 0 HA THR A 12 16.977 -3.354 3.962 1.00 0.00 H new ATOM 0 HB THR A 12 15.896 -0.795 2.747 1.00 0.00 H new ATOM 0 HG1 THR A 12 17.938 -0.811 1.546 1.00 0.00 H new ATOM 0 HG21 THR A 12 17.991 0.271 3.575 1.00 0.00 H new ATOM 0 HG22 THR A 12 17.002 -0.392 4.898 1.00 0.00 H new ATOM 0 HG23 THR A 12 18.448 -1.268 4.343 1.00 0.00 H new ATOM 196 N LEU A 13 13.968 -2.116 4.487 1.00 0.00 N ATOM 197 CA LEU A 13 12.985 -1.799 5.510 1.00 0.00 C ATOM 198 C LEU A 13 11.590 -2.254 5.110 1.00 0.00 C ATOM 199 O LEU A 13 11.308 -2.511 3.936 1.00 0.00 O ATOM 200 CB LEU A 13 13.006 -0.275 5.782 1.00 0.00 C ATOM 201 CG LEU A 13 12.428 0.700 4.720 1.00 0.00 C ATOM 202 CD1 LEU A 13 12.938 0.471 3.291 1.00 0.00 C ATOM 203 CD2 LEU A 13 10.896 0.792 4.722 1.00 0.00 C ATOM 0 H LEU A 13 13.592 -2.073 3.540 1.00 0.00 H new ATOM 0 HA LEU A 13 13.247 -2.337 6.421 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.465 -0.102 6.713 1.00 0.00 H new ATOM 0 HB3 LEU A 13 14.043 0.011 5.958 1.00 0.00 H new ATOM 0 HG LEU A 13 12.822 1.661 5.050 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.480 1.198 2.620 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.021 0.588 3.268 1.00 0.00 H new ATOM 0 HD13 LEU A 13 12.675 -0.536 2.968 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.573 1.493 3.952 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.472 -0.191 4.519 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.554 1.140 5.697 1.00 0.00 H new ATOM 215 N LYS A 14 10.700 -2.290 6.099 1.00 0.00 N ATOM 216 CA LYS A 14 9.297 -2.656 5.947 1.00 0.00 C ATOM 217 C LYS A 14 8.445 -1.648 6.709 1.00 0.00 C ATOM 218 O LYS A 14 8.979 -0.830 7.471 1.00 0.00 O ATOM 219 CB LYS A 14 9.041 -4.123 6.332 1.00 0.00 C ATOM 220 CG LYS A 14 9.790 -5.054 5.369 1.00 0.00 C ATOM 221 CD LYS A 14 9.348 -6.512 5.459 1.00 0.00 C ATOM 222 CE LYS A 14 10.343 -7.351 4.651 1.00 0.00 C ATOM 223 NZ LYS A 14 9.780 -8.642 4.217 1.00 0.00 N ATOM 0 H LYS A 14 10.946 -2.057 7.061 1.00 0.00 H new ATOM 0 HA LYS A 14 9.006 -2.605 4.898 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.371 -4.302 7.355 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.972 -4.335 6.300 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.643 -4.701 4.348 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.858 -4.994 5.576 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.325 -6.841 6.498 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.339 -6.631 5.065 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.661 -6.786 3.775 1.00 0.00 H new ATOM 0 HE3 LYS A 14 11.233 -7.532 5.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.541 -9.244 3.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.332 -9.116 5.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.069 -8.479 3.476 1.00 0.00 H new ATOM 237 N GLY A 15 7.143 -1.628 6.474 1.00 0.00 N ATOM 238 CA GLY A 15 6.220 -0.707 7.117 1.00 0.00 C ATOM 239 C GLY A 15 4.806 -1.253 6.995 1.00 0.00 C ATOM 240 O GLY A 15 4.570 -2.136 6.166 1.00 0.00 O ATOM 0 H GLY A 15 6.689 -2.264 5.818 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.485 -0.581 8.167 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.285 0.276 6.651 1.00 0.00 H new ATOM 244 N GLU A 16 3.867 -0.729 7.782 1.00 0.00 N ATOM 245 CA GLU A 16 2.479 -1.168 7.781 1.00 0.00 C ATOM 246 C GLU A 16 1.593 0.000 8.215 1.00 0.00 C ATOM 247 O GLU A 16 1.730 0.484 9.343 1.00 0.00 O ATOM 248 CB GLU A 16 2.359 -2.358 8.747 1.00 0.00 C ATOM 249 CG GLU A 16 0.938 -2.921 8.828 1.00 0.00 C ATOM 250 CD GLU A 16 0.755 -4.016 9.878 1.00 0.00 C ATOM 251 OE1 GLU A 16 1.638 -4.242 10.737 1.00 0.00 O ATOM 252 OE2 GLU A 16 -0.334 -4.642 9.880 1.00 0.00 O ATOM 0 H GLU A 16 4.055 0.022 8.446 1.00 0.00 H new ATOM 0 HA GLU A 16 2.157 -1.485 6.789 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.039 -3.148 8.428 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.677 -2.045 9.741 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.248 -2.106 9.046 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.661 -3.320 7.852 1.00 0.00 H new ATOM 259 N THR A 17 0.669 0.437 7.358 1.00 0.00 N ATOM 260 CA THR A 17 -0.251 1.549 7.628 1.00 0.00 C ATOM 261 C THR A 17 -1.676 1.154 7.230 1.00 0.00 C ATOM 262 O THR A 17 -1.842 0.231 6.423 1.00 0.00 O ATOM 263 CB THR A 17 0.222 2.801 6.863 1.00 0.00 C ATOM 264 OG1 THR A 17 0.465 2.494 5.499 1.00 0.00 O ATOM 265 CG2 THR A 17 1.492 3.399 7.474 1.00 0.00 C ATOM 0 H THR A 17 0.534 0.021 6.437 1.00 0.00 H new ATOM 0 HA THR A 17 -0.254 1.779 8.693 1.00 0.00 H new ATOM 0 HB THR A 17 -0.579 3.537 6.939 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.271 2.838 4.950 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.790 4.279 6.904 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.299 3.684 8.508 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.292 2.660 7.445 1.00 0.00 H new ATOM 273 N THR A 18 -2.707 1.837 7.741 1.00 0.00 N ATOM 274 CA THR A 18 -4.091 1.520 7.398 1.00 0.00 C ATOM 275 C THR A 18 -4.862 2.795 7.057 1.00 0.00 C ATOM 276 O THR A 18 -4.682 3.834 7.699 1.00 0.00 O ATOM 277 CB THR A 18 -4.747 0.742 8.555 1.00 0.00 C ATOM 278 OG1 THR A 18 -4.806 1.494 9.755 1.00 0.00 O ATOM 279 CG2 THR A 18 -4.001 -0.545 8.899 1.00 0.00 C ATOM 0 H THR A 18 -2.605 2.614 8.394 1.00 0.00 H new ATOM 0 HA THR A 18 -4.111 0.885 6.512 1.00 0.00 H new ATOM 0 HB THR A 18 -5.749 0.521 8.186 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.231 0.958 10.456 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.508 -1.051 9.721 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.982 -1.199 8.027 1.00 0.00 H new ATOM 0 HG23 THR A 18 -2.980 -0.305 9.196 1.00 0.00 H new ATOM 287 N THR A 19 -5.667 2.781 5.995 1.00 0.00 N ATOM 288 CA THR A 19 -6.483 3.915 5.565 1.00 0.00 C ATOM 289 C THR A 19 -7.762 3.390 4.910 1.00 0.00 C ATOM 290 O THR A 19 -7.701 2.400 4.179 1.00 0.00 O ATOM 291 CB THR A 19 -5.672 4.868 4.674 1.00 0.00 C ATOM 292 OG1 THR A 19 -4.433 5.166 5.295 1.00 0.00 O ATOM 293 CG2 THR A 19 -6.383 6.205 4.460 1.00 0.00 C ATOM 0 H THR A 19 -5.772 1.962 5.396 1.00 0.00 H new ATOM 0 HA THR A 19 -6.784 4.515 6.424 1.00 0.00 H new ATOM 0 HB THR A 19 -5.543 4.362 3.717 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.714 4.677 4.843 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.771 6.845 3.824 1.00 0.00 H new ATOM 0 HG22 THR A 19 -7.347 6.032 3.981 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.539 6.692 5.422 1.00 0.00 H new ATOM 301 N GLU A 20 -8.917 3.997 5.176 1.00 0.00 N ATOM 302 CA GLU A 20 -10.190 3.586 4.595 1.00 0.00 C ATOM 303 C GLU A 20 -10.589 4.555 3.481 1.00 0.00 C ATOM 304 O GLU A 20 -10.377 5.767 3.601 1.00 0.00 O ATOM 305 CB GLU A 20 -11.266 3.456 5.683 1.00 0.00 C ATOM 306 CG GLU A 20 -11.409 4.713 6.557 1.00 0.00 C ATOM 307 CD GLU A 20 -12.530 4.546 7.575 1.00 0.00 C ATOM 308 OE1 GLU A 20 -12.470 3.607 8.407 1.00 0.00 O ATOM 309 OE2 GLU A 20 -13.497 5.335 7.521 1.00 0.00 O ATOM 0 H GLU A 20 -8.994 4.795 5.807 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.085 2.599 4.145 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.225 3.240 5.211 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.026 2.605 6.321 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.470 4.909 7.074 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -11.612 5.578 5.926 1.00 0.00 H new ATOM 316 N ALA A 21 -11.143 4.024 2.386 1.00 0.00 N ATOM 317 CA ALA A 21 -11.582 4.810 1.241 1.00 0.00 C ATOM 318 C ALA A 21 -12.662 4.073 0.443 1.00 0.00 C ATOM 319 O ALA A 21 -12.837 2.855 0.573 1.00 0.00 O ATOM 320 CB ALA A 21 -10.378 5.108 0.330 1.00 0.00 C ATOM 0 H ALA A 21 -11.299 3.022 2.274 1.00 0.00 H new ATOM 0 HA ALA A 21 -12.009 5.743 1.610 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.707 5.696 -0.527 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.629 5.669 0.889 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.944 4.171 -0.018 1.00 0.00 H new ATOM 326 N VAL A 22 -13.356 4.816 -0.421 1.00 0.00 N ATOM 327 CA VAL A 22 -14.412 4.320 -1.298 1.00 0.00 C ATOM 328 C VAL A 22 -13.825 3.610 -2.523 1.00 0.00 C ATOM 329 O VAL A 22 -14.527 2.814 -3.143 1.00 0.00 O ATOM 330 CB VAL A 22 -15.323 5.496 -1.721 1.00 0.00 C ATOM 331 CG1 VAL A 22 -14.618 6.477 -2.670 1.00 0.00 C ATOM 332 CG2 VAL A 22 -16.624 5.026 -2.386 1.00 0.00 C ATOM 0 H VAL A 22 -13.190 5.816 -0.531 1.00 0.00 H new ATOM 0 HA VAL A 22 -15.008 3.587 -0.755 1.00 0.00 H new ATOM 0 HB VAL A 22 -15.563 6.009 -0.790 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -15.303 7.283 -2.935 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -13.741 6.894 -2.176 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -14.310 5.951 -3.574 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -17.225 5.892 -2.662 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -16.388 4.448 -3.280 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -17.185 4.403 -1.689 1.00 0.00 H new ATOM 342 N ASP A 23 -12.568 3.885 -2.885 1.00 0.00 N ATOM 343 CA ASP A 23 -11.921 3.287 -4.044 1.00 0.00 C ATOM 344 C ASP A 23 -10.440 3.108 -3.732 1.00 0.00 C ATOM 345 O ASP A 23 -9.830 3.978 -3.102 1.00 0.00 O ATOM 346 CB ASP A 23 -12.115 4.197 -5.285 1.00 0.00 C ATOM 347 CG ASP A 23 -12.822 3.501 -6.453 1.00 0.00 C ATOM 348 OD1 ASP A 23 -12.625 2.273 -6.641 1.00 0.00 O ATOM 349 OD2 ASP A 23 -13.579 4.175 -7.189 1.00 0.00 O ATOM 0 H ASP A 23 -11.971 4.535 -2.374 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.365 2.316 -4.265 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.691 5.075 -4.994 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.141 4.552 -5.621 1.00 0.00 H new ATOM 354 N ALA A 24 -9.859 1.999 -4.193 1.00 0.00 N ATOM 355 CA ALA A 24 -8.457 1.650 -3.996 1.00 0.00 C ATOM 356 C ALA A 24 -7.522 2.706 -4.588 1.00 0.00 C ATOM 357 O ALA A 24 -6.452 2.936 -4.030 1.00 0.00 O ATOM 358 CB ALA A 24 -8.177 0.278 -4.616 1.00 0.00 C ATOM 0 H ALA A 24 -10.370 1.299 -4.730 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.263 1.611 -2.924 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.129 0.019 -4.468 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.807 -0.472 -4.139 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.396 0.310 -5.683 1.00 0.00 H new ATOM 364 N ALA A 25 -7.927 3.372 -5.674 1.00 0.00 N ATOM 365 CA ALA A 25 -7.133 4.412 -6.319 1.00 0.00 C ATOM 366 C ALA A 25 -6.824 5.536 -5.322 1.00 0.00 C ATOM 367 O ALA A 25 -5.688 5.998 -5.217 1.00 0.00 O ATOM 368 CB ALA A 25 -7.909 4.955 -7.521 1.00 0.00 C ATOM 0 H ALA A 25 -8.823 3.200 -6.131 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.186 3.994 -6.661 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.324 5.734 -8.010 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.099 4.146 -8.227 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.858 5.372 -7.183 1.00 0.00 H new ATOM 374 N THR A 26 -7.837 5.973 -4.574 1.00 0.00 N ATOM 375 CA THR A 26 -7.721 7.027 -3.575 1.00 0.00 C ATOM 376 C THR A 26 -6.828 6.560 -2.417 1.00 0.00 C ATOM 377 O THR A 26 -6.134 7.373 -1.800 1.00 0.00 O ATOM 378 CB THR A 26 -9.145 7.427 -3.149 1.00 0.00 C ATOM 379 OG1 THR A 26 -9.879 7.683 -4.338 1.00 0.00 O ATOM 380 CG2 THR A 26 -9.167 8.678 -2.267 1.00 0.00 C ATOM 0 H THR A 26 -8.781 5.593 -4.650 1.00 0.00 H new ATOM 0 HA THR A 26 -7.232 7.915 -3.975 1.00 0.00 H new ATOM 0 HB THR A 26 -9.577 6.618 -2.560 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.796 7.940 -4.107 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.196 8.914 -1.996 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.587 8.496 -1.363 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.734 9.516 -2.813 1.00 0.00 H new ATOM 388 N ALA A 27 -6.838 5.258 -2.107 1.00 0.00 N ATOM 389 CA ALA A 27 -6.009 4.700 -1.052 1.00 0.00 C ATOM 390 C ALA A 27 -4.547 4.787 -1.511 1.00 0.00 C ATOM 391 O ALA A 27 -3.707 5.371 -0.823 1.00 0.00 O ATOM 392 CB ALA A 27 -6.441 3.264 -0.723 1.00 0.00 C ATOM 0 H ALA A 27 -7.422 4.570 -2.583 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.124 5.265 -0.127 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.807 2.866 0.069 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.479 3.263 -0.392 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.344 2.642 -1.613 1.00 0.00 H new ATOM 398 N GLU A 28 -4.261 4.248 -2.695 1.00 0.00 N ATOM 399 CA GLU A 28 -2.951 4.200 -3.328 1.00 0.00 C ATOM 400 C GLU A 28 -2.319 5.587 -3.461 1.00 0.00 C ATOM 401 O GLU A 28 -1.196 5.785 -2.999 1.00 0.00 O ATOM 402 CB GLU A 28 -3.099 3.532 -4.703 1.00 0.00 C ATOM 403 CG GLU A 28 -1.737 3.235 -5.346 1.00 0.00 C ATOM 404 CD GLU A 28 -1.772 3.410 -6.861 1.00 0.00 C ATOM 405 OE1 GLU A 28 -1.955 4.556 -7.328 1.00 0.00 O ATOM 406 OE2 GLU A 28 -1.558 2.409 -7.584 1.00 0.00 O ATOM 0 H GLU A 28 -4.981 3.809 -3.268 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.279 3.618 -2.697 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.660 2.604 -4.597 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.677 4.181 -5.361 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.983 3.898 -4.921 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.437 2.215 -5.105 1.00 0.00 H new ATOM 413 N LYS A 29 -3.049 6.571 -4.005 1.00 0.00 N ATOM 414 CA LYS A 29 -2.519 7.923 -4.196 1.00 0.00 C ATOM 415 C LYS A 29 -1.955 8.511 -2.909 1.00 0.00 C ATOM 416 O LYS A 29 -0.959 9.233 -2.969 1.00 0.00 O ATOM 417 CB LYS A 29 -3.596 8.855 -4.772 1.00 0.00 C ATOM 418 CG LYS A 29 -3.739 8.700 -6.294 1.00 0.00 C ATOM 419 CD LYS A 29 -4.752 9.671 -6.912 1.00 0.00 C ATOM 420 CE LYS A 29 -4.328 11.134 -6.703 1.00 0.00 C ATOM 421 NZ LYS A 29 -5.187 12.074 -7.448 1.00 0.00 N ATOM 0 H LYS A 29 -4.012 6.452 -4.321 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.698 7.840 -4.908 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.552 8.642 -4.295 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.345 9.889 -4.535 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.766 8.856 -6.761 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.042 7.678 -6.521 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.849 9.468 -7.978 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.733 9.508 -6.466 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.366 11.373 -5.640 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.293 11.260 -7.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.865 13.048 -7.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.131 11.864 -8.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.171 11.974 -7.127 1.00 0.00 H new ATOM 435 N VAL A 30 -2.590 8.287 -1.764 1.00 0.00 N ATOM 436 CA VAL A 30 -2.089 8.807 -0.499 1.00 0.00 C ATOM 437 C VAL A 30 -0.832 8.025 -0.095 1.00 0.00 C ATOM 438 O VAL A 30 0.223 8.626 0.120 1.00 0.00 O ATOM 439 CB VAL A 30 -3.224 8.810 0.540 1.00 0.00 C ATOM 440 CG1 VAL A 30 -2.752 9.205 1.946 1.00 0.00 C ATOM 441 CG2 VAL A 30 -4.326 9.784 0.088 1.00 0.00 C ATOM 0 H VAL A 30 -3.453 7.749 -1.687 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.773 9.847 -0.583 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.602 7.789 0.601 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.599 9.188 2.632 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.994 8.499 2.287 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.327 10.208 1.919 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.132 9.788 0.822 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.910 10.788 -0.001 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.718 9.467 -0.879 1.00 0.00 H new ATOM 451 N PHE A 31 -0.914 6.689 -0.035 1.00 0.00 N ATOM 452 CA PHE A 31 0.209 5.836 0.357 1.00 0.00 C ATOM 453 C PHE A 31 1.460 5.974 -0.521 1.00 0.00 C ATOM 454 O PHE A 31 2.560 5.706 -0.034 1.00 0.00 O ATOM 455 CB PHE A 31 -0.218 4.364 0.367 1.00 0.00 C ATOM 456 CG PHE A 31 -1.284 3.960 1.373 1.00 0.00 C ATOM 457 CD1 PHE A 31 -1.081 4.157 2.753 1.00 0.00 C ATOM 458 CD2 PHE A 31 -2.427 3.260 0.939 1.00 0.00 C ATOM 459 CE1 PHE A 31 -2.013 3.660 3.681 1.00 0.00 C ATOM 460 CE2 PHE A 31 -3.357 2.762 1.867 1.00 0.00 C ATOM 461 CZ PHE A 31 -3.144 2.952 3.241 1.00 0.00 C ATOM 0 H PHE A 31 -1.764 6.171 -0.258 1.00 0.00 H new ATOM 0 HA PHE A 31 0.485 6.180 1.354 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.579 4.110 -0.629 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.668 3.756 0.550 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.208 4.691 3.099 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.590 3.105 -0.117 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.859 3.823 4.737 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.234 2.234 1.524 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.847 2.555 3.958 1.00 0.00 H new ATOM 471 N LYS A 32 1.329 6.420 -1.777 1.00 0.00 N ATOM 472 CA LYS A 32 2.457 6.573 -2.694 1.00 0.00 C ATOM 473 C LYS A 32 3.595 7.407 -2.096 1.00 0.00 C ATOM 474 O LYS A 32 4.753 7.001 -2.229 1.00 0.00 O ATOM 475 CB LYS A 32 1.959 7.131 -4.038 1.00 0.00 C ATOM 476 CG LYS A 32 3.081 7.066 -5.079 1.00 0.00 C ATOM 477 CD LYS A 32 2.621 7.452 -6.483 1.00 0.00 C ATOM 478 CE LYS A 32 3.790 7.203 -7.440 1.00 0.00 C ATOM 479 NZ LYS A 32 3.593 7.847 -8.748 1.00 0.00 N ATOM 0 H LYS A 32 0.432 6.685 -2.184 1.00 0.00 H new ATOM 0 HA LYS A 32 2.890 5.588 -2.870 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.098 6.558 -4.383 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.627 8.162 -3.913 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.890 7.729 -4.774 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.489 6.055 -5.102 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.753 6.861 -6.777 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.319 8.499 -6.512 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.710 7.576 -6.990 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.917 6.130 -7.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.411 7.649 -9.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.730 7.473 -9.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.499 8.875 -8.618 1.00 0.00 H new ATOM 493 N GLN A 33 3.271 8.524 -1.432 1.00 0.00 N ATOM 494 CA GLN A 33 4.238 9.415 -0.792 1.00 0.00 C ATOM 495 C GLN A 33 5.022 8.626 0.250 1.00 0.00 C ATOM 496 O GLN A 33 6.238 8.539 0.155 1.00 0.00 O ATOM 497 CB GLN A 33 3.527 10.597 -0.103 1.00 0.00 C ATOM 498 CG GLN A 33 3.487 11.903 -0.907 1.00 0.00 C ATOM 499 CD GLN A 33 2.288 12.745 -0.477 1.00 0.00 C ATOM 500 OE1 GLN A 33 1.145 12.409 -0.791 1.00 0.00 O ATOM 501 NE2 GLN A 33 2.497 13.814 0.270 1.00 0.00 N ATOM 0 H GLN A 33 2.306 8.837 -1.324 1.00 0.00 H new ATOM 0 HA GLN A 33 4.908 9.812 -1.555 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.503 10.300 0.125 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.022 10.791 0.848 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.409 12.463 -0.752 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.423 11.682 -1.972 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.448 14.081 0.523 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.707 14.372 0.594 1.00 0.00 H new ATOM 510 N TYR A 34 4.321 8.032 1.215 1.00 0.00 N ATOM 511 CA TYR A 34 4.888 7.253 2.302 1.00 0.00 C ATOM 512 C TYR A 34 5.829 6.170 1.777 1.00 0.00 C ATOM 513 O TYR A 34 6.970 6.109 2.219 1.00 0.00 O ATOM 514 CB TYR A 34 3.738 6.688 3.151 1.00 0.00 C ATOM 515 CG TYR A 34 4.078 5.492 4.026 1.00 0.00 C ATOM 516 CD1 TYR A 34 5.092 5.566 5.006 1.00 0.00 C ATOM 517 CD2 TYR A 34 3.321 4.310 3.889 1.00 0.00 C ATOM 518 CE1 TYR A 34 5.344 4.463 5.852 1.00 0.00 C ATOM 519 CE2 TYR A 34 3.578 3.211 4.727 1.00 0.00 C ATOM 520 CZ TYR A 34 4.587 3.273 5.712 1.00 0.00 C ATOM 521 OH TYR A 34 4.826 2.173 6.479 1.00 0.00 O ATOM 0 H TYR A 34 3.303 8.086 1.258 1.00 0.00 H new ATOM 0 HA TYR A 34 5.504 7.889 2.938 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.360 7.485 3.791 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.925 6.404 2.482 1.00 0.00 H new ATOM 0 HD1 TYR A 34 5.676 6.468 5.109 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.544 4.249 3.141 1.00 0.00 H new ATOM 0 HE1 TYR A 34 6.114 4.527 6.606 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.996 2.308 4.616 1.00 0.00 H new ATOM 0 HH TYR A 34 4.200 1.460 6.232 1.00 0.00 H new ATOM 531 N ALA A 35 5.380 5.329 0.838 1.00 0.00 N ATOM 532 CA ALA A 35 6.217 4.268 0.290 1.00 0.00 C ATOM 533 C ALA A 35 7.508 4.828 -0.318 1.00 0.00 C ATOM 534 O ALA A 35 8.600 4.419 0.075 1.00 0.00 O ATOM 535 CB ALA A 35 5.421 3.452 -0.736 1.00 0.00 C ATOM 0 H ALA A 35 4.440 5.367 0.445 1.00 0.00 H new ATOM 0 HA ALA A 35 6.513 3.606 1.104 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.053 2.661 -1.141 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.550 3.009 -0.252 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.093 4.105 -1.545 1.00 0.00 H new ATOM 541 N ASN A 36 7.390 5.788 -1.237 1.00 0.00 N ATOM 542 CA ASN A 36 8.522 6.403 -1.921 1.00 0.00 C ATOM 543 C ASN A 36 9.489 7.067 -0.949 1.00 0.00 C ATOM 544 O ASN A 36 10.703 6.862 -1.038 1.00 0.00 O ATOM 545 CB ASN A 36 7.998 7.460 -2.909 1.00 0.00 C ATOM 546 CG ASN A 36 9.020 7.969 -3.924 1.00 0.00 C ATOM 547 OD1 ASN A 36 8.628 8.371 -5.017 1.00 0.00 O ATOM 548 ND2 ASN A 36 10.307 8.034 -3.632 1.00 0.00 N ATOM 0 H ASN A 36 6.488 6.164 -1.530 1.00 0.00 H new ATOM 0 HA ASN A 36 9.064 5.615 -2.444 1.00 0.00 H new ATOM 0 HB2 ASN A 36 7.151 7.039 -3.451 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.621 8.310 -2.340 1.00 0.00 H new ATOM 0 HD21 ASN A 36 10.965 8.415 -4.311 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.642 7.703 -2.727 1.00 0.00 H new ATOM 555 N ASP A 37 8.956 7.896 -0.058 1.00 0.00 N ATOM 556 CA ASP A 37 9.706 8.645 0.936 1.00 0.00 C ATOM 557 C ASP A 37 10.472 7.738 1.882 1.00 0.00 C ATOM 558 O ASP A 37 11.616 8.047 2.215 1.00 0.00 O ATOM 559 CB ASP A 37 8.760 9.542 1.728 1.00 0.00 C ATOM 560 CG ASP A 37 9.521 10.478 2.651 1.00 0.00 C ATOM 561 OD1 ASP A 37 10.194 11.388 2.116 1.00 0.00 O ATOM 562 OD2 ASP A 37 9.354 10.376 3.887 1.00 0.00 O ATOM 0 H ASP A 37 7.952 8.069 -0.009 1.00 0.00 H new ATOM 0 HA ASP A 37 10.438 9.253 0.405 1.00 0.00 H new ATOM 0 HB2 ASP A 37 8.149 10.126 1.039 1.00 0.00 H new ATOM 0 HB3 ASP A 37 8.079 8.926 2.315 1.00 0.00 H new ATOM 567 N ASN A 38 9.869 6.611 2.269 1.00 0.00 N ATOM 568 CA ASN A 38 10.460 5.638 3.182 1.00 0.00 C ATOM 569 C ASN A 38 11.497 4.731 2.499 1.00 0.00 C ATOM 570 O ASN A 38 12.066 3.855 3.151 1.00 0.00 O ATOM 571 CB ASN A 38 9.339 4.836 3.860 1.00 0.00 C ATOM 572 CG ASN A 38 9.735 4.248 5.206 1.00 0.00 C ATOM 573 OD1 ASN A 38 10.743 4.623 5.803 1.00 0.00 O ATOM 574 ND2 ASN A 38 8.915 3.356 5.739 1.00 0.00 N ATOM 0 H ASN A 38 8.937 6.347 1.948 1.00 0.00 H new ATOM 0 HA ASN A 38 11.019 6.179 3.945 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.473 5.484 3.997 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.031 4.028 3.197 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.114 2.967 6.661 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.084 3.058 5.228 1.00 0.00 H new ATOM 581 N GLY A 39 11.750 4.914 1.195 1.00 0.00 N ATOM 582 CA GLY A 39 12.730 4.127 0.447 1.00 0.00 C ATOM 583 C GLY A 39 12.183 2.827 -0.140 1.00 0.00 C ATOM 584 O GLY A 39 12.939 1.867 -0.293 1.00 0.00 O ATOM 0 H GLY A 39 11.275 5.618 0.630 1.00 0.00 H new ATOM 0 HA2 GLY A 39 13.126 4.739 -0.364 1.00 0.00 H new ATOM 0 HA3 GLY A 39 13.566 3.890 1.105 1.00 0.00 H new ATOM 588 N VAL A 40 10.893 2.764 -0.474 1.00 0.00 N ATOM 589 CA VAL A 40 10.263 1.573 -1.035 1.00 0.00 C ATOM 590 C VAL A 40 9.665 1.909 -2.402 1.00 0.00 C ATOM 591 O VAL A 40 9.352 3.061 -2.722 1.00 0.00 O ATOM 592 CB VAL A 40 9.252 0.995 -0.012 1.00 0.00 C ATOM 593 CG1 VAL A 40 8.574 -0.312 -0.461 1.00 0.00 C ATOM 594 CG2 VAL A 40 9.972 0.693 1.312 1.00 0.00 C ATOM 0 H VAL A 40 10.251 3.549 -0.360 1.00 0.00 H new ATOM 0 HA VAL A 40 10.992 0.783 -1.214 1.00 0.00 H new ATOM 0 HB VAL A 40 8.480 1.758 0.090 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.883 -0.648 0.312 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.026 -0.138 -1.387 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.332 -1.077 -0.626 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.259 0.287 2.029 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.765 -0.034 1.137 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.403 1.612 1.709 1.00 0.00 H new ATOM 604 N ASP A 41 9.568 0.881 -3.239 1.00 0.00 N ATOM 605 CA ASP A 41 9.027 0.896 -4.592 1.00 0.00 C ATOM 606 C ASP A 41 8.720 -0.554 -4.971 1.00 0.00 C ATOM 607 O ASP A 41 9.141 -1.464 -4.245 1.00 0.00 O ATOM 608 CB ASP A 41 10.016 1.513 -5.591 1.00 0.00 C ATOM 609 CG ASP A 41 9.267 2.279 -6.678 1.00 0.00 C ATOM 610 OD1 ASP A 41 8.166 1.850 -7.076 1.00 0.00 O ATOM 611 OD2 ASP A 41 9.756 3.374 -7.046 1.00 0.00 O ATOM 0 H ASP A 41 9.888 -0.049 -2.970 1.00 0.00 H new ATOM 0 HA ASP A 41 8.127 1.510 -4.625 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.699 2.184 -5.069 1.00 0.00 H new ATOM 0 HB3 ASP A 41 10.623 0.729 -6.043 1.00 0.00 H new ATOM 616 N GLY A 42 7.997 -0.799 -6.058 1.00 0.00 N ATOM 617 CA GLY A 42 7.654 -2.144 -6.491 1.00 0.00 C ATOM 618 C GLY A 42 6.367 -2.139 -7.296 1.00 0.00 C ATOM 619 O GLY A 42 5.925 -1.089 -7.771 1.00 0.00 O ATOM 0 H GLY A 42 7.632 -0.065 -6.665 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.464 -2.554 -7.094 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.543 -2.793 -5.623 1.00 0.00 H new ATOM 623 N GLU A 43 5.798 -3.323 -7.502 1.00 0.00 N ATOM 624 CA GLU A 43 4.559 -3.483 -8.248 1.00 0.00 C ATOM 625 C GLU A 43 3.402 -3.253 -7.278 1.00 0.00 C ATOM 626 O GLU A 43 3.464 -3.712 -6.129 1.00 0.00 O ATOM 627 CB GLU A 43 4.523 -4.881 -8.892 1.00 0.00 C ATOM 628 CG GLU A 43 3.540 -4.964 -10.067 1.00 0.00 C ATOM 629 CD GLU A 43 3.879 -3.932 -11.148 1.00 0.00 C ATOM 630 OE1 GLU A 43 4.825 -4.150 -11.946 1.00 0.00 O ATOM 631 OE2 GLU A 43 3.239 -2.858 -11.144 1.00 0.00 O ATOM 0 H GLU A 43 6.186 -4.200 -7.154 1.00 0.00 H new ATOM 0 HA GLU A 43 4.480 -2.761 -9.061 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.522 -5.143 -9.240 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.245 -5.617 -8.138 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.566 -5.966 -10.496 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.525 -4.798 -9.707 1.00 0.00 H new ATOM 638 N TRP A 44 2.354 -2.553 -7.722 1.00 0.00 N ATOM 639 CA TRP A 44 1.204 -2.252 -6.883 1.00 0.00 C ATOM 640 C TRP A 44 0.046 -3.167 -7.260 1.00 0.00 C ATOM 641 O TRP A 44 -0.715 -2.909 -8.202 1.00 0.00 O ATOM 642 CB TRP A 44 0.874 -0.758 -6.945 1.00 0.00 C ATOM 643 CG TRP A 44 1.924 0.109 -6.308 1.00 0.00 C ATOM 644 CD1 TRP A 44 3.172 0.297 -6.791 1.00 0.00 C ATOM 645 CD2 TRP A 44 1.869 0.881 -5.066 1.00 0.00 C ATOM 646 NE1 TRP A 44 3.900 1.078 -5.924 1.00 0.00 N ATOM 647 CE2 TRP A 44 3.144 1.483 -4.848 1.00 0.00 C ATOM 648 CE3 TRP A 44 0.871 1.153 -4.106 1.00 0.00 C ATOM 649 CZ2 TRP A 44 3.405 2.311 -3.746 1.00 0.00 C ATOM 650 CZ3 TRP A 44 1.113 2.002 -3.008 1.00 0.00 C ATOM 651 CH2 TRP A 44 2.380 2.581 -2.825 1.00 0.00 C ATOM 0 H TRP A 44 2.284 -2.183 -8.670 1.00 0.00 H new ATOM 0 HA TRP A 44 1.428 -2.456 -5.836 1.00 0.00 H new ATOM 0 HB2 TRP A 44 0.752 -0.463 -7.987 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -0.081 -0.583 -6.450 1.00 0.00 H new ATOM 0 HD1 TRP A 44 3.543 -0.107 -7.721 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.880 1.326 -6.062 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -0.103 0.699 -4.216 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.387 2.738 -3.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.321 2.209 -2.304 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.564 3.230 -1.981 1.00 0.00 H new ATOM 662 N THR A 45 -0.101 -4.207 -6.449 1.00 0.00 N ATOM 663 CA THR A 45 -1.097 -5.259 -6.541 1.00 0.00 C ATOM 664 C THR A 45 -1.939 -5.192 -5.268 1.00 0.00 C ATOM 665 O THR A 45 -1.401 -5.142 -4.154 1.00 0.00 O ATOM 666 CB THR A 45 -0.379 -6.609 -6.711 1.00 0.00 C ATOM 667 OG1 THR A 45 0.689 -6.476 -7.624 1.00 0.00 O ATOM 668 CG2 THR A 45 -1.332 -7.691 -7.225 1.00 0.00 C ATOM 0 H THR A 45 0.520 -4.344 -5.652 1.00 0.00 H new ATOM 0 HA THR A 45 -1.756 -5.140 -7.401 1.00 0.00 H new ATOM 0 HB THR A 45 -0.005 -6.907 -5.731 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.142 -7.339 -7.725 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.791 -8.631 -7.333 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.150 -7.822 -6.516 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.735 -7.391 -8.192 1.00 0.00 H new ATOM 676 N TYR A 46 -3.259 -5.156 -5.423 1.00 0.00 N ATOM 677 CA TYR A 46 -4.227 -5.070 -4.343 1.00 0.00 C ATOM 678 C TYR A 46 -5.092 -6.321 -4.316 1.00 0.00 C ATOM 679 O TYR A 46 -5.374 -6.913 -5.359 1.00 0.00 O ATOM 680 CB TYR A 46 -5.104 -3.818 -4.525 1.00 0.00 C ATOM 681 CG TYR A 46 -6.180 -3.963 -5.584 1.00 0.00 C ATOM 682 CD1 TYR A 46 -5.833 -3.864 -6.943 1.00 0.00 C ATOM 683 CD2 TYR A 46 -7.499 -4.303 -5.221 1.00 0.00 C ATOM 684 CE1 TYR A 46 -6.777 -4.155 -7.939 1.00 0.00 C ATOM 685 CE2 TYR A 46 -8.454 -4.581 -6.214 1.00 0.00 C ATOM 686 CZ TYR A 46 -8.083 -4.539 -7.575 1.00 0.00 C ATOM 687 OH TYR A 46 -9.012 -4.775 -8.536 1.00 0.00 O ATOM 0 H TYR A 46 -3.698 -5.187 -6.343 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.696 -4.993 -3.394 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.577 -3.577 -3.573 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.465 -2.975 -4.785 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.834 -3.562 -7.222 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -7.776 -4.350 -4.178 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.504 -4.085 -8.981 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -9.469 -4.826 -5.936 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.860 -5.031 -8.116 1.00 0.00 H new ATOM 697 N ASP A 47 -5.543 -6.705 -3.126 1.00 0.00 N ATOM 698 CA ASP A 47 -6.405 -7.856 -2.934 1.00 0.00 C ATOM 699 C ASP A 47 -7.514 -7.422 -2.012 1.00 0.00 C ATOM 700 O ASP A 47 -7.322 -7.315 -0.800 1.00 0.00 O ATOM 701 CB ASP A 47 -5.669 -9.057 -2.354 1.00 0.00 C ATOM 702 CG ASP A 47 -5.096 -9.904 -3.468 1.00 0.00 C ATOM 703 OD1 ASP A 47 -5.907 -10.473 -4.235 1.00 0.00 O ATOM 704 OD2 ASP A 47 -3.855 -10.076 -3.515 1.00 0.00 O ATOM 0 H ASP A 47 -5.315 -6.217 -2.260 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.788 -8.185 -3.900 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.869 -8.719 -1.695 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.351 -9.653 -1.748 1.00 0.00 H new ATOM 709 N ASP A 48 -8.651 -7.033 -2.575 1.00 0.00 N ATOM 710 CA ASP A 48 -9.791 -6.607 -1.773 1.00 0.00 C ATOM 711 C ASP A 48 -10.479 -7.813 -1.103 1.00 0.00 C ATOM 712 O ASP A 48 -11.122 -7.644 -0.061 1.00 0.00 O ATOM 713 CB ASP A 48 -10.733 -5.722 -2.601 1.00 0.00 C ATOM 714 CG ASP A 48 -11.975 -6.442 -3.116 1.00 0.00 C ATOM 715 OD1 ASP A 48 -11.858 -7.529 -3.718 1.00 0.00 O ATOM 716 OD2 ASP A 48 -13.079 -5.898 -2.904 1.00 0.00 O ATOM 0 H ASP A 48 -8.808 -7.004 -3.582 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.442 -5.982 -0.951 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.045 -4.873 -1.992 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.182 -5.319 -3.451 1.00 0.00 H new ATOM 721 N ALA A 49 -10.320 -9.027 -1.650 1.00 0.00 N ATOM 722 CA ALA A 49 -10.900 -10.257 -1.117 1.00 0.00 C ATOM 723 C ALA A 49 -10.194 -10.601 0.192 1.00 0.00 C ATOM 724 O ALA A 49 -10.812 -10.590 1.255 1.00 0.00 O ATOM 725 CB ALA A 49 -10.783 -11.400 -2.133 1.00 0.00 C ATOM 0 H ALA A 49 -9.770 -9.179 -2.496 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.963 -10.111 -0.924 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -11.222 -12.306 -1.714 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -11.312 -11.130 -3.047 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.732 -11.578 -2.361 1.00 0.00 H new ATOM 731 N THR A 50 -8.870 -10.777 0.134 1.00 0.00 N ATOM 732 CA THR A 50 -8.069 -11.107 1.311 1.00 0.00 C ATOM 733 C THR A 50 -7.858 -9.839 2.157 1.00 0.00 C ATOM 734 O THR A 50 -7.537 -9.936 3.346 1.00 0.00 O ATOM 735 CB THR A 50 -6.755 -11.764 0.850 1.00 0.00 C ATOM 736 OG1 THR A 50 -7.102 -12.851 0.012 1.00 0.00 O ATOM 737 CG2 THR A 50 -5.899 -12.319 1.990 1.00 0.00 C ATOM 0 H THR A 50 -8.328 -10.695 -0.726 1.00 0.00 H new ATOM 0 HA THR A 50 -8.580 -11.826 1.952 1.00 0.00 H new ATOM 0 HB THR A 50 -6.165 -10.993 0.354 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.287 -13.294 -0.303 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.992 -12.764 1.581 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.631 -11.511 2.671 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.463 -13.078 2.532 1.00 0.00 H new ATOM 745 N LYS A 51 -8.165 -8.663 1.593 1.00 0.00 N ATOM 746 CA LYS A 51 -8.077 -7.349 2.211 1.00 0.00 C ATOM 747 C LYS A 51 -6.639 -7.010 2.617 1.00 0.00 C ATOM 748 O LYS A 51 -6.381 -6.649 3.765 1.00 0.00 O ATOM 749 CB LYS A 51 -9.170 -7.268 3.297 1.00 0.00 C ATOM 750 CG LYS A 51 -9.965 -5.960 3.267 1.00 0.00 C ATOM 751 CD LYS A 51 -11.205 -5.990 4.172 1.00 0.00 C ATOM 752 CE LYS A 51 -12.175 -7.154 3.904 1.00 0.00 C ATOM 753 NZ LYS A 51 -12.568 -7.279 2.482 1.00 0.00 N ATOM 0 H LYS A 51 -8.502 -8.609 0.632 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.295 -6.541 1.513 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.857 -8.105 3.172 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.706 -7.380 4.277 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.317 -5.140 3.576 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.275 -5.753 2.243 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.878 -6.041 5.210 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.746 -5.051 4.054 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.711 -8.085 4.228 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.071 -7.017 4.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.247 -8.060 2.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.008 -6.392 2.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.725 -7.473 1.905 1.00 0.00 H new ATOM 767 N THR A 52 -5.713 -7.152 1.670 1.00 0.00 N ATOM 768 CA THR A 52 -4.285 -6.887 1.817 1.00 0.00 C ATOM 769 C THR A 52 -3.789 -6.040 0.634 1.00 0.00 C ATOM 770 O THR A 52 -4.367 -6.101 -0.460 1.00 0.00 O ATOM 771 CB THR A 52 -3.541 -8.235 1.924 1.00 0.00 C ATOM 772 OG1 THR A 52 -3.960 -9.154 0.926 1.00 0.00 O ATOM 773 CG2 THR A 52 -3.785 -8.909 3.278 1.00 0.00 C ATOM 0 H THR A 52 -5.952 -7.472 0.731 1.00 0.00 H new ATOM 0 HA THR A 52 -4.088 -6.316 2.724 1.00 0.00 H new ATOM 0 HB THR A 52 -2.485 -7.994 1.798 1.00 0.00 H new ATOM 0 HG1 THR A 52 -3.465 -9.994 1.026 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.245 -9.855 3.316 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.432 -8.258 4.078 1.00 0.00 H new ATOM 0 HG23 THR A 52 -4.852 -9.094 3.405 1.00 0.00 H new ATOM 781 N PHE A 53 -2.741 -5.240 0.826 1.00 0.00 N ATOM 782 CA PHE A 53 -2.139 -4.390 -0.193 1.00 0.00 C ATOM 783 C PHE A 53 -0.654 -4.332 0.186 1.00 0.00 C ATOM 784 O PHE A 53 -0.312 -3.704 1.183 1.00 0.00 O ATOM 785 CB PHE A 53 -2.852 -3.015 -0.207 1.00 0.00 C ATOM 786 CG PHE A 53 -2.870 -2.262 -1.531 1.00 0.00 C ATOM 787 CD1 PHE A 53 -1.719 -2.176 -2.332 1.00 0.00 C ATOM 788 CD2 PHE A 53 -4.047 -1.612 -1.958 1.00 0.00 C ATOM 789 CE1 PHE A 53 -1.756 -1.504 -3.566 1.00 0.00 C ATOM 790 CE2 PHE A 53 -4.076 -0.910 -3.177 1.00 0.00 C ATOM 791 CZ PHE A 53 -2.934 -0.872 -3.996 1.00 0.00 C ATOM 0 H PHE A 53 -2.273 -5.165 1.729 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.242 -4.762 -1.212 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.883 -3.164 0.112 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.376 -2.378 0.539 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.798 -2.630 -1.997 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.934 -1.654 -1.343 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.873 -1.474 -4.187 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.977 -0.400 -3.484 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.962 -0.361 -4.947 1.00 0.00 H new ATOM 801 N THR A 54 0.241 -4.989 -0.554 1.00 0.00 N ATOM 802 CA THR A 54 1.668 -4.980 -0.219 1.00 0.00 C ATOM 803 C THR A 54 2.505 -4.585 -1.429 1.00 0.00 C ATOM 804 O THR A 54 2.363 -5.185 -2.500 1.00 0.00 O ATOM 805 CB THR A 54 2.075 -6.349 0.347 1.00 0.00 C ATOM 806 OG1 THR A 54 1.195 -6.721 1.395 1.00 0.00 O ATOM 807 CG2 THR A 54 3.513 -6.340 0.875 1.00 0.00 C ATOM 0 H THR A 54 0.006 -5.532 -1.385 1.00 0.00 H new ATOM 0 HA THR A 54 1.855 -4.230 0.550 1.00 0.00 H new ATOM 0 HB THR A 54 2.014 -7.071 -0.467 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.460 -7.595 1.750 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.763 -7.326 1.267 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.197 -6.088 0.064 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.604 -5.600 1.670 1.00 0.00 H new ATOM 815 N VAL A 55 3.348 -3.565 -1.275 1.00 0.00 N ATOM 816 CA VAL A 55 4.231 -3.065 -2.321 1.00 0.00 C ATOM 817 C VAL A 55 5.451 -3.981 -2.259 1.00 0.00 C ATOM 818 O VAL A 55 6.185 -3.943 -1.265 1.00 0.00 O ATOM 819 CB VAL A 55 4.599 -1.587 -2.062 1.00 0.00 C ATOM 820 CG1 VAL A 55 5.392 -1.012 -3.245 1.00 0.00 C ATOM 821 CG2 VAL A 55 3.350 -0.725 -1.827 1.00 0.00 C ATOM 0 H VAL A 55 3.436 -3.053 -0.397 1.00 0.00 H new ATOM 0 HA VAL A 55 3.771 -3.080 -3.309 1.00 0.00 H new ATOM 0 HB VAL A 55 5.213 -1.563 -1.162 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.642 0.030 -3.044 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.309 -1.585 -3.381 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.789 -1.072 -4.151 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.649 0.308 -1.648 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.706 -0.770 -2.706 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.807 -1.100 -0.960 1.00 0.00 H new ATOM 831 N THR A 56 5.633 -4.813 -3.284 1.00 0.00 N ATOM 832 CA THR A 56 6.723 -5.771 -3.382 1.00 0.00 C ATOM 833 C THR A 56 7.500 -5.517 -4.674 1.00 0.00 C ATOM 834 O THR A 56 6.921 -5.384 -5.755 1.00 0.00 O ATOM 835 CB THR A 56 6.146 -7.199 -3.341 1.00 0.00 C ATOM 836 OG1 THR A 56 5.188 -7.342 -2.307 1.00 0.00 O ATOM 837 CG2 THR A 56 7.225 -8.263 -3.124 1.00 0.00 C ATOM 0 H THR A 56 5.007 -4.836 -4.089 1.00 0.00 H new ATOM 0 HA THR A 56 7.410 -5.657 -2.544 1.00 0.00 H new ATOM 0 HB THR A 56 5.681 -7.350 -4.315 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.840 -8.258 -2.308 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.764 -9.250 -3.103 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.949 -8.218 -3.937 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.732 -8.079 -2.177 1.00 0.00 H new ATOM 845 N GLU A 57 8.814 -5.378 -4.536 1.00 0.00 N ATOM 846 CA GLU A 57 9.753 -5.154 -5.622 1.00 0.00 C ATOM 847 C GLU A 57 9.988 -6.481 -6.315 1.00 0.00 C ATOM 848 O GLU A 57 10.195 -7.497 -5.613 1.00 0.00 O ATOM 849 CB GLU A 57 11.048 -4.614 -5.015 1.00 0.00 C ATOM 850 CG GLU A 57 12.204 -4.402 -6.000 1.00 0.00 C ATOM 851 CD GLU A 57 13.455 -4.009 -5.214 1.00 0.00 C ATOM 852 OE1 GLU A 57 14.018 -4.878 -4.503 1.00 0.00 O ATOM 853 OE2 GLU A 57 13.817 -2.812 -5.168 1.00 0.00 O ATOM 0 H GLU A 57 9.270 -5.421 -3.625 1.00 0.00 H new ATOM 0 HA GLU A 57 9.376 -4.437 -6.351 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.831 -3.664 -4.528 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.379 -5.303 -4.238 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.387 -5.313 -6.569 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.950 -3.623 -6.719 1.00 0.00 H new TER 860 GLU A 57