USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=18 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: X 33 TYR OH : rot 130:sc= -0.0524 USER MOD Set 1.2: X 37 ASN : amide:sc= -6.19! K(o=-6.2!,f=-3.5) USER MOD Set 2.1: X 8 ASN : amide:sc= -0.43 K(o=-0.73,f=2) USER MOD Set 2.2: X 55 THR OG1 : rot 180:sc= -0.301 USER MOD Set 3.1: X 1 MET CE :methyl 154:sc= -1.71 (180deg=-3.69!) USER MOD Set 3.2: X 3 TYR OH : rot 77:sc= -0.197 USER MOD Set 3.3: X 45 TYR OH : rot 77:sc= -1.07! USER MOD Set 3.4: X 50 LYS NZ :NH3+ 152:sc= 0.72 (180deg=-0.712) USER MOD Single : X 1 MET N :NH3+ 165:sc= 0.72 (180deg=0.504) USER MOD Single : X 2 GLN : amide:sc= -0.0299 K(o=-0.03,f=-1.8) USER MOD Single : X 4 LYS NZ :NH3+ 179:sc= -1.05 (180deg=-1.11) USER MOD Single : X 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 11 THR OG1 : rot 180:sc= 0 USER MOD Single : X 13 LYS NZ :NH3+ -168:sc= -17! (180deg=-17.6!) USER MOD Single : X 16 THR OG1 : rot -157:sc= -1.36 USER MOD Single : X 17 THR OG1 : rot 180:sc= 0 USER MOD Single : X 18 THR OG1 : rot 180:sc= 0 USER MOD Single : X 25 THR OG1 : rot 180:sc= 0 USER MOD Single : X 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 32 GLN : amide:sc= -0.105 X(o=-0.11,f=-0.19) USER MOD Single : X 35 ASN : amide:sc= -0.0849 K(o=-0.085,f=-1.7!) USER MOD Single : X 44 THR OG1 : rot 180:sc= -0.323 USER MOD Single : X 49 THR OG1 : rot -102:sc= 0.628 USER MOD Single : X 51 THR OG1 : rot 79:sc= 1.25 USER MOD Single : X 53 THR OG1 : rot 180:sc= -2.95! USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 25.352 -12.480 -4.019 1.00 0.00 N ATOM 2 CA MET X 1 26.148 -11.230 -4.198 1.00 0.00 C ATOM 3 C MET X 1 25.354 -10.261 -5.089 1.00 0.00 C ATOM 4 O MET X 1 24.201 -10.528 -5.427 1.00 0.00 O ATOM 5 CB MET X 1 27.543 -11.604 -4.785 1.00 0.00 C ATOM 6 CG MET X 1 27.639 -11.308 -6.297 1.00 0.00 C ATOM 7 SD MET X 1 28.959 -12.309 -7.015 1.00 0.00 S ATOM 8 CE MET X 1 28.158 -13.923 -6.834 1.00 0.00 C ATOM 0 H1 MET X 1 25.965 -13.231 -3.642 1.00 0.00 H new ATOM 0 H2 MET X 1 24.573 -12.303 -3.354 1.00 0.00 H new ATOM 0 H3 MET X 1 24.963 -12.778 -4.936 1.00 0.00 H new ATOM 0 HA MET X 1 26.324 -10.723 -3.249 1.00 0.00 H new ATOM 0 HB2 MET X 1 28.318 -11.047 -4.258 1.00 0.00 H new ATOM 0 HB3 MET X 1 27.736 -12.662 -4.611 1.00 0.00 H new ATOM 0 HG2 MET X 1 26.690 -11.532 -6.785 1.00 0.00 H new ATOM 0 HG3 MET X 1 27.839 -10.249 -6.460 1.00 0.00 H new ATOM 0 HE1 MET X 1 28.546 -14.608 -7.588 1.00 0.00 H new ATOM 0 HE2 MET X 1 28.364 -14.322 -5.841 1.00 0.00 H new ATOM 0 HE3 MET X 1 27.082 -13.812 -6.964 1.00 0.00 H new ATOM 20 N GLN X 2 25.968 -9.132 -5.458 1.00 0.00 N ATOM 21 CA GLN X 2 25.299 -8.129 -6.296 1.00 0.00 C ATOM 22 C GLN X 2 25.966 -8.031 -7.667 1.00 0.00 C ATOM 23 O GLN X 2 27.191 -7.963 -7.774 1.00 0.00 O ATOM 24 CB GLN X 2 25.352 -6.756 -5.598 1.00 0.00 C ATOM 25 CG GLN X 2 24.272 -6.668 -4.500 1.00 0.00 C ATOM 26 CD GLN X 2 22.941 -6.165 -5.086 1.00 0.00 C ATOM 27 OE1 GLN X 2 22.688 -6.337 -6.278 1.00 0.00 O ATOM 28 NE2 GLN X 2 22.075 -5.554 -4.312 1.00 0.00 N ATOM 0 H GLN X 2 26.922 -8.890 -5.192 1.00 0.00 H new ATOM 0 HA GLN X 2 24.262 -8.433 -6.437 1.00 0.00 H new ATOM 0 HB2 GLN X 2 26.338 -6.602 -5.160 1.00 0.00 H new ATOM 0 HB3 GLN X 2 25.201 -5.963 -6.330 1.00 0.00 H new ATOM 0 HG2 GLN X 2 24.128 -7.648 -4.045 1.00 0.00 H new ATOM 0 HG3 GLN X 2 24.604 -5.996 -3.709 1.00 0.00 H new ATOM 0 HE21 GLN X 2 22.285 -5.412 -3.324 1.00 0.00 H new ATOM 0 HE22 GLN X 2 21.192 -5.221 -4.698 1.00 0.00 H new ATOM 37 N TYR X 3 25.141 -8.010 -8.712 1.00 0.00 N ATOM 38 CA TYR X 3 25.627 -7.901 -10.089 1.00 0.00 C ATOM 39 C TYR X 3 24.947 -6.723 -10.774 1.00 0.00 C ATOM 40 O TYR X 3 23.742 -6.530 -10.627 1.00 0.00 O ATOM 41 CB TYR X 3 25.308 -9.188 -10.858 1.00 0.00 C ATOM 42 CG TYR X 3 26.306 -10.265 -10.496 1.00 0.00 C ATOM 43 CD1 TYR X 3 27.649 -10.117 -10.857 1.00 0.00 C ATOM 44 CD2 TYR X 3 25.887 -11.415 -9.813 1.00 0.00 C ATOM 45 CE1 TYR X 3 28.576 -11.116 -10.537 1.00 0.00 C ATOM 46 CE2 TYR X 3 26.813 -12.416 -9.495 1.00 0.00 C ATOM 47 CZ TYR X 3 28.158 -12.265 -9.857 1.00 0.00 C ATOM 48 OH TYR X 3 29.071 -13.251 -9.545 1.00 0.00 O ATOM 0 H TYR X 3 24.126 -8.067 -8.632 1.00 0.00 H new ATOM 0 HA TYR X 3 26.706 -7.747 -10.077 1.00 0.00 H new ATOM 0 HB2 TYR X 3 24.298 -9.522 -10.622 1.00 0.00 H new ATOM 0 HB3 TYR X 3 25.338 -8.998 -11.931 1.00 0.00 H new ATOM 0 HD1 TYR X 3 27.971 -9.231 -11.383 1.00 0.00 H new ATOM 0 HD2 TYR X 3 24.850 -11.529 -9.532 1.00 0.00 H new ATOM 0 HE1 TYR X 3 29.613 -11.000 -10.815 1.00 0.00 H new ATOM 0 HE2 TYR X 3 26.491 -13.304 -8.971 1.00 0.00 H new ATOM 0 HH TYR X 3 29.604 -12.971 -8.772 1.00 0.00 H new ATOM 58 N LYS X 4 25.719 -5.938 -11.524 1.00 0.00 N ATOM 59 CA LYS X 4 25.173 -4.770 -12.229 1.00 0.00 C ATOM 60 C LYS X 4 25.381 -4.903 -13.735 1.00 0.00 C ATOM 61 O LYS X 4 26.495 -5.137 -14.201 1.00 0.00 O ATOM 62 CB LYS X 4 25.866 -3.497 -11.728 1.00 0.00 C ATOM 63 CG LYS X 4 25.119 -2.258 -12.237 1.00 0.00 C ATOM 64 CD LYS X 4 25.852 -0.993 -11.759 1.00 0.00 C ATOM 65 CE LYS X 4 25.259 0.249 -12.431 1.00 0.00 C ATOM 66 NZ LYS X 4 24.011 0.650 -11.722 1.00 0.00 N ATOM 0 H LYS X 4 26.719 -6.085 -11.661 1.00 0.00 H new ATOM 0 HA LYS X 4 24.103 -4.712 -12.028 1.00 0.00 H new ATOM 0 HB2 LYS X 4 25.894 -3.493 -10.638 1.00 0.00 H new ATOM 0 HB3 LYS X 4 26.900 -3.476 -12.073 1.00 0.00 H new ATOM 0 HG2 LYS X 4 25.066 -2.272 -13.326 1.00 0.00 H new ATOM 0 HG3 LYS X 4 24.093 -2.260 -11.868 1.00 0.00 H new ATOM 0 HD2 LYS X 4 25.769 -0.904 -10.676 1.00 0.00 H new ATOM 0 HD3 LYS X 4 26.914 -1.069 -11.992 1.00 0.00 H new ATOM 0 HE2 LYS X 4 25.980 1.066 -12.410 1.00 0.00 H new ATOM 0 HE3 LYS X 4 25.044 0.041 -13.479 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 23.617 1.503 -12.168 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 23.316 -0.122 -11.778 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 24.227 0.849 -10.724 1.00 0.00 H new ATOM 80 N LEU X 5 24.293 -4.737 -14.489 1.00 0.00 N ATOM 81 CA LEU X 5 24.343 -4.824 -15.952 1.00 0.00 C ATOM 82 C LEU X 5 24.145 -3.429 -16.547 1.00 0.00 C ATOM 83 O LEU X 5 23.195 -2.728 -16.201 1.00 0.00 O ATOM 84 CB LEU X 5 23.254 -5.808 -16.425 1.00 0.00 C ATOM 85 CG LEU X 5 22.995 -5.739 -17.953 1.00 0.00 C ATOM 86 CD1 LEU X 5 22.192 -4.475 -18.339 1.00 0.00 C ATOM 87 CD2 LEU X 5 24.323 -5.790 -18.737 1.00 0.00 C ATOM 0 H LEU X 5 23.366 -4.541 -14.112 1.00 0.00 H new ATOM 0 HA LEU X 5 25.311 -5.195 -16.288 1.00 0.00 H new ATOM 0 HB2 LEU X 5 23.549 -6.823 -16.158 1.00 0.00 H new ATOM 0 HB3 LEU X 5 22.326 -5.596 -15.895 1.00 0.00 H new ATOM 0 HG LEU X 5 22.397 -6.610 -18.221 1.00 0.00 H new ATOM 0 HD11 LEU X 5 22.030 -4.462 -19.417 1.00 0.00 H new ATOM 0 HD12 LEU X 5 21.229 -4.485 -17.828 1.00 0.00 H new ATOM 0 HD13 LEU X 5 22.750 -3.586 -18.045 1.00 0.00 H new ATOM 0 HD21 LEU X 5 24.117 -5.740 -19.806 1.00 0.00 H new ATOM 0 HD22 LEU X 5 24.948 -4.945 -18.449 1.00 0.00 H new ATOM 0 HD23 LEU X 5 24.843 -6.721 -18.511 1.00 0.00 H new ATOM 99 N ILE X 6 25.059 -3.020 -17.434 1.00 0.00 N ATOM 100 CA ILE X 6 24.980 -1.695 -18.061 1.00 0.00 C ATOM 101 C ILE X 6 24.367 -1.806 -19.441 1.00 0.00 C ATOM 102 O ILE X 6 24.746 -2.668 -20.235 1.00 0.00 O ATOM 103 CB ILE X 6 26.376 -1.085 -18.199 1.00 0.00 C ATOM 104 CG1 ILE X 6 27.120 -1.161 -16.860 1.00 0.00 C ATOM 105 CG2 ILE X 6 26.249 0.372 -18.643 1.00 0.00 C ATOM 106 CD1 ILE X 6 26.267 -0.557 -15.740 1.00 0.00 C ATOM 0 H ILE X 6 25.856 -3.582 -17.732 1.00 0.00 H new ATOM 0 HA ILE X 6 24.361 -1.059 -17.428 1.00 0.00 H new ATOM 0 HB ILE X 6 26.942 -1.644 -18.944 1.00 0.00 H new ATOM 0 HG12 ILE X 6 27.356 -2.199 -16.626 1.00 0.00 H new ATOM 0 HG13 ILE X 6 28.068 -0.627 -16.932 1.00 0.00 H new ATOM 0 HG21 ILE X 6 27.242 0.810 -18.742 1.00 0.00 H new ATOM 0 HG22 ILE X 6 25.735 0.416 -19.603 1.00 0.00 H new ATOM 0 HG23 ILE X 6 25.679 0.930 -17.900 1.00 0.00 H new ATOM 0 HD11 ILE X 6 26.809 -0.619 -14.796 1.00 0.00 H new ATOM 0 HD12 ILE X 6 26.053 0.487 -15.968 1.00 0.00 H new ATOM 0 HD13 ILE X 6 25.331 -1.109 -15.657 1.00 0.00 H new ATOM 118 N LEU X 7 23.405 -0.938 -19.717 1.00 0.00 N ATOM 119 CA LEU X 7 22.721 -0.951 -21.006 1.00 0.00 C ATOM 120 C LEU X 7 23.398 0.000 -21.983 1.00 0.00 C ATOM 121 O LEU X 7 23.313 1.221 -21.850 1.00 0.00 O ATOM 122 CB LEU X 7 21.248 -0.532 -20.834 1.00 0.00 C ATOM 123 CG LEU X 7 20.382 -1.719 -20.361 1.00 0.00 C ATOM 124 CD1 LEU X 7 20.483 -1.877 -18.842 1.00 0.00 C ATOM 125 CD2 LEU X 7 18.921 -1.457 -20.740 1.00 0.00 C ATOM 0 H LEU X 7 23.080 -0.219 -19.071 1.00 0.00 H new ATOM 0 HA LEU X 7 22.768 -1.966 -21.402 1.00 0.00 H new ATOM 0 HB2 LEU X 7 21.180 0.281 -20.112 1.00 0.00 H new ATOM 0 HB3 LEU X 7 20.863 -0.151 -21.780 1.00 0.00 H new ATOM 0 HG LEU X 7 20.738 -2.631 -20.839 1.00 0.00 H new ATOM 0 HD11 LEU X 7 19.867 -2.718 -18.522 1.00 0.00 H new ATOM 0 HD12 LEU X 7 21.521 -2.060 -18.563 1.00 0.00 H new ATOM 0 HD13 LEU X 7 20.133 -0.966 -18.357 1.00 0.00 H new ATOM 0 HD21 LEU X 7 18.304 -2.292 -20.409 1.00 0.00 H new ATOM 0 HD22 LEU X 7 18.579 -0.540 -20.260 1.00 0.00 H new ATOM 0 HD23 LEU X 7 18.839 -1.352 -21.822 1.00 0.00 H new ATOM 137 N ASN X 8 24.043 -0.581 -22.985 1.00 0.00 N ATOM 138 CA ASN X 8 24.712 0.184 -24.025 1.00 0.00 C ATOM 139 C ASN X 8 24.321 -0.403 -25.373 1.00 0.00 C ATOM 140 O ASN X 8 25.005 -1.279 -25.898 1.00 0.00 O ATOM 141 CB ASN X 8 26.225 0.099 -23.825 1.00 0.00 C ATOM 142 CG ASN X 8 26.960 0.624 -25.056 1.00 0.00 C ATOM 143 OD1 ASN X 8 26.777 1.778 -25.445 1.00 0.00 O ATOM 144 ND2 ASN X 8 27.785 -0.161 -25.694 1.00 0.00 N ATOM 0 H ASN X 8 24.117 -1.592 -23.099 1.00 0.00 H new ATOM 0 HA ASN X 8 24.416 1.232 -23.982 1.00 0.00 H new ATOM 0 HB2 ASN X 8 26.514 0.678 -22.948 1.00 0.00 H new ATOM 0 HB3 ASN X 8 26.515 -0.934 -23.635 1.00 0.00 H new ATOM 0 HD21 ASN X 8 28.280 0.181 -26.517 1.00 0.00 H new ATOM 0 HD22 ASN X 8 27.934 -1.116 -25.369 1.00 0.00 H new ATOM 151 N GLY X 9 23.206 0.078 -25.926 1.00 0.00 N ATOM 152 CA GLY X 9 22.715 -0.418 -27.213 1.00 0.00 C ATOM 153 C GLY X 9 22.573 0.706 -28.224 1.00 0.00 C ATOM 154 O GLY X 9 23.342 1.667 -28.217 1.00 0.00 O ATOM 0 H GLY X 9 22.629 0.806 -25.506 1.00 0.00 H new ATOM 0 HA2 GLY X 9 23.401 -1.172 -27.599 1.00 0.00 H new ATOM 0 HA3 GLY X 9 21.751 -0.906 -27.072 1.00 0.00 H new ATOM 158 N LYS X 10 21.585 0.571 -29.102 1.00 0.00 N ATOM 159 CA LYS X 10 21.352 1.578 -30.131 1.00 0.00 C ATOM 160 C LYS X 10 20.605 2.795 -29.567 1.00 0.00 C ATOM 161 O LYS X 10 21.029 3.931 -29.783 1.00 0.00 O ATOM 162 CB LYS X 10 20.566 0.959 -31.297 1.00 0.00 C ATOM 163 CG LYS X 10 21.153 -0.414 -31.637 1.00 0.00 C ATOM 164 CD LYS X 10 20.593 -0.893 -32.977 1.00 0.00 C ATOM 165 CE LYS X 10 20.891 -2.384 -33.151 1.00 0.00 C ATOM 166 NZ LYS X 10 20.663 -2.774 -34.571 1.00 0.00 N ATOM 0 H LYS X 10 20.938 -0.218 -29.123 1.00 0.00 H new ATOM 0 HA LYS X 10 22.320 1.925 -30.493 1.00 0.00 H new ATOM 0 HB2 LYS X 10 19.514 0.860 -31.029 1.00 0.00 H new ATOM 0 HB3 LYS X 10 20.613 1.612 -32.168 1.00 0.00 H new ATOM 0 HG2 LYS X 10 22.240 -0.354 -31.686 1.00 0.00 H new ATOM 0 HG3 LYS X 10 20.908 -1.130 -30.852 1.00 0.00 H new ATOM 0 HD2 LYS X 10 19.518 -0.719 -33.017 1.00 0.00 H new ATOM 0 HD3 LYS X 10 21.038 -0.325 -33.793 1.00 0.00 H new ATOM 0 HE2 LYS X 10 21.922 -2.595 -32.866 1.00 0.00 H new ATOM 0 HE3 LYS X 10 20.251 -2.973 -32.494 1.00 0.00 H new ATOM 0 HZ1 LYS X 10 20.865 -3.787 -34.690 1.00 0.00 H new ATOM 0 HZ2 LYS X 10 19.673 -2.586 -34.828 1.00 0.00 H new ATOM 0 HZ3 LYS X 10 21.291 -2.221 -35.188 1.00 0.00 H new ATOM 180 N THR X 11 19.487 2.569 -28.854 1.00 0.00 N ATOM 181 CA THR X 11 18.705 3.681 -28.289 1.00 0.00 C ATOM 182 C THR X 11 18.388 3.470 -26.804 1.00 0.00 C ATOM 183 O THR X 11 18.054 4.425 -26.101 1.00 0.00 O ATOM 184 CB THR X 11 17.397 3.838 -29.075 1.00 0.00 C ATOM 185 OG1 THR X 11 16.706 2.597 -29.095 1.00 0.00 O ATOM 186 CG2 THR X 11 17.709 4.274 -30.508 1.00 0.00 C ATOM 0 H THR X 11 19.110 1.642 -28.658 1.00 0.00 H new ATOM 0 HA THR X 11 19.309 4.585 -28.372 1.00 0.00 H new ATOM 0 HB THR X 11 16.774 4.593 -28.596 1.00 0.00 H new ATOM 0 HG1 THR X 11 15.869 2.696 -29.595 1.00 0.00 H new ATOM 0 HG21 THR X 11 16.779 4.385 -31.065 1.00 0.00 H new ATOM 0 HG22 THR X 11 18.238 5.227 -30.491 1.00 0.00 H new ATOM 0 HG23 THR X 11 18.333 3.521 -30.990 1.00 0.00 H new ATOM 194 N LEU X 12 18.470 2.224 -26.328 1.00 0.00 N ATOM 195 CA LEU X 12 18.163 1.928 -24.931 1.00 0.00 C ATOM 196 C LEU X 12 19.426 1.987 -24.062 1.00 0.00 C ATOM 197 O LEU X 12 20.370 1.227 -24.275 1.00 0.00 O ATOM 198 CB LEU X 12 17.525 0.525 -24.847 1.00 0.00 C ATOM 199 CG LEU X 12 16.468 0.467 -23.733 1.00 0.00 C ATOM 200 CD1 LEU X 12 16.029 -0.991 -23.524 1.00 0.00 C ATOM 201 CD2 LEU X 12 17.056 1.020 -22.423 1.00 0.00 C ATOM 0 H LEU X 12 18.743 1.414 -26.885 1.00 0.00 H new ATOM 0 HA LEU X 12 17.467 2.678 -24.554 1.00 0.00 H new ATOM 0 HB2 LEU X 12 17.066 0.273 -25.803 1.00 0.00 H new ATOM 0 HB3 LEU X 12 18.298 -0.220 -24.659 1.00 0.00 H new ATOM 0 HG LEU X 12 15.608 1.072 -24.021 1.00 0.00 H new ATOM 0 HD11 LEU X 12 15.279 -1.036 -22.734 1.00 0.00 H new ATOM 0 HD12 LEU X 12 15.605 -1.379 -24.450 1.00 0.00 H new ATOM 0 HD13 LEU X 12 16.892 -1.594 -23.240 1.00 0.00 H new ATOM 0 HD21 LEU X 12 16.301 0.976 -21.638 1.00 0.00 H new ATOM 0 HD22 LEU X 12 17.919 0.422 -22.131 1.00 0.00 H new ATOM 0 HD23 LEU X 12 17.365 2.055 -22.571 1.00 0.00 H new ATOM 213 N LYS X 13 19.427 2.884 -23.073 1.00 0.00 N ATOM 214 CA LYS X 13 20.576 3.022 -22.170 1.00 0.00 C ATOM 215 C LYS X 13 20.098 3.252 -20.737 1.00 0.00 C ATOM 216 O LYS X 13 19.143 3.992 -20.500 1.00 0.00 O ATOM 217 CB LYS X 13 21.471 4.200 -22.608 1.00 0.00 C ATOM 218 CG LYS X 13 22.306 3.834 -23.867 1.00 0.00 C ATOM 219 CD LYS X 13 21.607 4.336 -25.150 1.00 0.00 C ATOM 220 CE LYS X 13 22.003 3.456 -26.341 1.00 0.00 C ATOM 221 NZ LYS X 13 21.219 2.188 -26.296 1.00 0.00 N ATOM 0 H LYS X 13 18.654 3.520 -22.877 1.00 0.00 H new ATOM 0 HA LYS X 13 21.156 2.100 -22.214 1.00 0.00 H new ATOM 0 HB2 LYS X 13 20.852 5.071 -22.820 1.00 0.00 H new ATOM 0 HB3 LYS X 13 22.140 4.475 -21.792 1.00 0.00 H new ATOM 0 HG2 LYS X 13 23.300 4.276 -23.792 1.00 0.00 H new ATOM 0 HG3 LYS X 13 22.440 2.754 -23.919 1.00 0.00 H new ATOM 0 HD2 LYS X 13 20.525 4.316 -25.016 1.00 0.00 H new ATOM 0 HD3 LYS X 13 21.885 5.372 -25.344 1.00 0.00 H new ATOM 0 HE2 LYS X 13 21.813 3.982 -27.276 1.00 0.00 H new ATOM 0 HE3 LYS X 13 23.071 3.239 -26.309 1.00 0.00 H new ATOM 0 HZ1 LYS X 13 21.621 1.507 -26.972 1.00 0.00 H new ATOM 0 HZ2 LYS X 13 21.260 1.788 -25.337 1.00 0.00 H new ATOM 0 HZ3 LYS X 13 20.229 2.383 -26.548 1.00 0.00 H new ATOM 235 N GLY X 14 20.774 2.608 -19.789 1.00 0.00 N ATOM 236 CA GLY X 14 20.419 2.740 -18.380 1.00 0.00 C ATOM 237 C GLY X 14 21.251 1.781 -17.520 1.00 0.00 C ATOM 238 O GLY X 14 22.347 1.381 -17.912 1.00 0.00 O ATOM 0 H GLY X 14 21.567 1.992 -19.970 1.00 0.00 H new ATOM 0 HA2 GLY X 14 20.584 3.766 -18.053 1.00 0.00 H new ATOM 0 HA3 GLY X 14 19.358 2.530 -18.246 1.00 0.00 H new ATOM 242 N GLU X 15 20.718 1.410 -16.349 1.00 0.00 N ATOM 243 CA GLU X 15 21.411 0.491 -15.441 1.00 0.00 C ATOM 244 C GLU X 15 20.448 -0.575 -14.941 1.00 0.00 C ATOM 245 O GLU X 15 19.248 -0.329 -14.817 1.00 0.00 O ATOM 246 CB GLU X 15 21.963 1.236 -14.224 1.00 0.00 C ATOM 247 CG GLU X 15 22.697 2.504 -14.654 1.00 0.00 C ATOM 248 CD GLU X 15 24.056 2.159 -15.250 1.00 0.00 C ATOM 249 OE1 GLU X 15 24.114 1.936 -16.447 1.00 0.00 O ATOM 250 OE2 GLU X 15 25.019 2.134 -14.503 1.00 0.00 O ATOM 0 H GLU X 15 19.811 1.732 -16.010 1.00 0.00 H new ATOM 0 HA GLU X 15 22.231 0.036 -15.997 1.00 0.00 H new ATOM 0 HB2 GLU X 15 21.147 1.494 -13.548 1.00 0.00 H new ATOM 0 HB3 GLU X 15 22.642 0.587 -13.671 1.00 0.00 H new ATOM 0 HG2 GLU X 15 22.099 3.046 -15.387 1.00 0.00 H new ATOM 0 HG3 GLU X 15 22.827 3.164 -13.797 1.00 0.00 H new ATOM 257 N THR X 16 20.979 -1.753 -14.631 1.00 0.00 N ATOM 258 CA THR X 16 20.142 -2.843 -14.117 1.00 0.00 C ATOM 259 C THR X 16 20.944 -3.705 -13.144 1.00 0.00 C ATOM 260 O THR X 16 22.044 -4.143 -13.465 1.00 0.00 O ATOM 261 CB THR X 16 19.631 -3.693 -15.285 1.00 0.00 C ATOM 262 OG1 THR X 16 19.292 -2.839 -16.365 1.00 0.00 O ATOM 263 CG2 THR X 16 18.392 -4.490 -14.872 1.00 0.00 C ATOM 0 H THR X 16 21.969 -1.981 -14.723 1.00 0.00 H new ATOM 0 HA THR X 16 19.289 -2.422 -13.585 1.00 0.00 H new ATOM 0 HB THR X 16 20.415 -4.390 -15.581 1.00 0.00 H new ATOM 0 HG1 THR X 16 18.648 -3.291 -16.950 1.00 0.00 H new ATOM 0 HG21 THR X 16 18.045 -5.087 -15.716 1.00 0.00 H new ATOM 0 HG22 THR X 16 18.643 -5.149 -14.041 1.00 0.00 H new ATOM 0 HG23 THR X 16 17.603 -3.803 -14.565 1.00 0.00 H new ATOM 271 N THR X 17 20.390 -3.948 -11.955 1.00 0.00 N ATOM 272 CA THR X 17 21.071 -4.764 -10.946 1.00 0.00 C ATOM 273 C THR X 17 20.139 -5.853 -10.419 1.00 0.00 C ATOM 274 O THR X 17 18.916 -5.731 -10.492 1.00 0.00 O ATOM 275 CB THR X 17 21.537 -3.872 -9.786 1.00 0.00 C ATOM 276 OG1 THR X 17 22.000 -2.634 -10.307 1.00 0.00 O ATOM 277 CG2 THR X 17 22.676 -4.557 -9.021 1.00 0.00 C ATOM 0 H THR X 17 19.478 -3.594 -11.667 1.00 0.00 H new ATOM 0 HA THR X 17 21.936 -5.240 -11.408 1.00 0.00 H new ATOM 0 HB THR X 17 20.702 -3.702 -9.106 1.00 0.00 H new ATOM 0 HG1 THR X 17 22.297 -2.060 -9.571 1.00 0.00 H new ATOM 0 HG21 THR X 17 23.000 -3.917 -8.200 1.00 0.00 H new ATOM 0 HG22 THR X 17 22.325 -5.509 -8.622 1.00 0.00 H new ATOM 0 HG23 THR X 17 23.514 -4.733 -9.696 1.00 0.00 H new ATOM 285 N THR X 18 20.733 -6.916 -9.886 1.00 0.00 N ATOM 286 CA THR X 18 19.971 -8.028 -9.345 1.00 0.00 C ATOM 287 C THR X 18 20.758 -8.688 -8.223 1.00 0.00 C ATOM 288 O THR X 18 21.987 -8.636 -8.201 1.00 0.00 O ATOM 289 CB THR X 18 19.662 -9.050 -10.450 1.00 0.00 C ATOM 290 OG1 THR X 18 18.661 -9.948 -9.993 1.00 0.00 O ATOM 291 CG2 THR X 18 20.926 -9.837 -10.811 1.00 0.00 C ATOM 0 H THR X 18 21.745 -7.028 -9.819 1.00 0.00 H new ATOM 0 HA THR X 18 19.027 -7.654 -8.948 1.00 0.00 H new ATOM 0 HB THR X 18 19.309 -8.521 -11.335 1.00 0.00 H new ATOM 0 HG1 THR X 18 18.461 -10.600 -10.697 1.00 0.00 H new ATOM 0 HG21 THR X 18 20.694 -10.558 -11.595 1.00 0.00 H new ATOM 0 HG22 THR X 18 21.694 -9.149 -11.166 1.00 0.00 H new ATOM 0 HG23 THR X 18 21.290 -10.364 -9.929 1.00 0.00 H new ATOM 299 N GLU X 19 20.047 -9.304 -7.286 1.00 0.00 N ATOM 300 CA GLU X 19 20.687 -9.967 -6.155 1.00 0.00 C ATOM 301 C GLU X 19 20.657 -11.484 -6.357 1.00 0.00 C ATOM 302 O GLU X 19 19.613 -12.120 -6.215 1.00 0.00 O ATOM 303 CB GLU X 19 19.941 -9.582 -4.859 1.00 0.00 C ATOM 304 CG GLU X 19 20.912 -9.525 -3.674 1.00 0.00 C ATOM 305 CD GLU X 19 21.775 -10.779 -3.644 1.00 0.00 C ATOM 306 OE1 GLU X 19 21.231 -11.855 -3.834 1.00 0.00 O ATOM 307 OE2 GLU X 19 22.967 -10.648 -3.422 1.00 0.00 O ATOM 0 H GLU X 19 19.028 -9.359 -7.286 1.00 0.00 H new ATOM 0 HA GLU X 19 21.727 -9.650 -6.080 1.00 0.00 H new ATOM 0 HB2 GLU X 19 19.456 -8.614 -4.986 1.00 0.00 H new ATOM 0 HB3 GLU X 19 19.154 -10.308 -4.657 1.00 0.00 H new ATOM 0 HG2 GLU X 19 21.544 -8.641 -3.754 1.00 0.00 H new ATOM 0 HG3 GLU X 19 20.355 -9.435 -2.741 1.00 0.00 H new ATOM 314 N ALA X 20 21.817 -12.052 -6.698 1.00 0.00 N ATOM 315 CA ALA X 20 21.932 -13.494 -6.930 1.00 0.00 C ATOM 316 C ALA X 20 23.191 -14.047 -6.274 1.00 0.00 C ATOM 317 O ALA X 20 24.108 -13.300 -5.933 1.00 0.00 O ATOM 318 CB ALA X 20 21.991 -13.779 -8.436 1.00 0.00 C ATOM 0 H ALA X 20 22.688 -11.536 -6.819 1.00 0.00 H new ATOM 0 HA ALA X 20 21.058 -13.978 -6.493 1.00 0.00 H new ATOM 0 HB1 ALA X 20 22.076 -14.853 -8.600 1.00 0.00 H new ATOM 0 HB2 ALA X 20 21.082 -13.410 -8.912 1.00 0.00 H new ATOM 0 HB3 ALA X 20 22.856 -13.276 -8.868 1.00 0.00 H new ATOM 324 N VAL X 21 23.230 -15.366 -6.117 1.00 0.00 N ATOM 325 CA VAL X 21 24.377 -16.030 -5.518 1.00 0.00 C ATOM 326 C VAL X 21 25.385 -16.376 -6.606 1.00 0.00 C ATOM 327 O VAL X 21 26.593 -16.236 -6.419 1.00 0.00 O ATOM 328 CB VAL X 21 23.915 -17.306 -4.795 1.00 0.00 C ATOM 329 CG1 VAL X 21 22.841 -18.010 -5.628 1.00 0.00 C ATOM 330 CG2 VAL X 21 25.099 -18.260 -4.585 1.00 0.00 C ATOM 0 H VAL X 21 22.478 -15.995 -6.398 1.00 0.00 H new ATOM 0 HA VAL X 21 24.849 -15.367 -4.793 1.00 0.00 H new ATOM 0 HB VAL X 21 23.505 -17.028 -3.824 1.00 0.00 H new ATOM 0 HG11 VAL X 21 22.516 -18.914 -5.113 1.00 0.00 H new ATOM 0 HG12 VAL X 21 21.990 -17.343 -5.763 1.00 0.00 H new ATOM 0 HG13 VAL X 21 23.252 -18.275 -6.602 1.00 0.00 H new ATOM 0 HG21 VAL X 21 24.756 -19.158 -4.072 1.00 0.00 H new ATOM 0 HG22 VAL X 21 25.522 -18.533 -5.552 1.00 0.00 H new ATOM 0 HG23 VAL X 21 25.861 -17.767 -3.982 1.00 0.00 H new ATOM 340 N ASP X 22 24.875 -16.843 -7.742 1.00 0.00 N ATOM 341 CA ASP X 22 25.737 -17.229 -8.864 1.00 0.00 C ATOM 342 C ASP X 22 25.748 -16.161 -9.946 1.00 0.00 C ATOM 343 O ASP X 22 24.788 -15.408 -10.107 1.00 0.00 O ATOM 344 CB ASP X 22 25.248 -18.541 -9.471 1.00 0.00 C ATOM 345 CG ASP X 22 26.286 -19.084 -10.448 1.00 0.00 C ATOM 346 OD1 ASP X 22 27.423 -18.648 -10.374 1.00 0.00 O ATOM 347 OD2 ASP X 22 25.928 -19.924 -11.255 1.00 0.00 O ATOM 0 H ASP X 22 23.877 -16.964 -7.913 1.00 0.00 H new ATOM 0 HA ASP X 22 26.749 -17.348 -8.477 1.00 0.00 H new ATOM 0 HB2 ASP X 22 25.064 -19.270 -8.682 1.00 0.00 H new ATOM 0 HB3 ASP X 22 24.300 -18.382 -9.986 1.00 0.00 H new ATOM 352 N ALA X 23 26.844 -16.106 -10.687 1.00 0.00 N ATOM 353 CA ALA X 23 26.984 -15.135 -11.764 1.00 0.00 C ATOM 354 C ALA X 23 26.149 -15.546 -12.974 1.00 0.00 C ATOM 355 O ALA X 23 25.544 -14.703 -13.640 1.00 0.00 O ATOM 356 CB ALA X 23 28.454 -15.017 -12.170 1.00 0.00 C ATOM 0 H ALA X 23 27.649 -16.721 -10.564 1.00 0.00 H new ATOM 0 HA ALA X 23 26.627 -14.170 -11.406 1.00 0.00 H new ATOM 0 HB1 ALA X 23 28.552 -14.289 -12.976 1.00 0.00 H new ATOM 0 HB2 ALA X 23 29.043 -14.691 -11.313 1.00 0.00 H new ATOM 0 HB3 ALA X 23 28.816 -15.987 -12.511 1.00 0.00 H new ATOM 362 N ALA X 24 26.136 -16.844 -13.265 1.00 0.00 N ATOM 363 CA ALA X 24 25.391 -17.362 -14.410 1.00 0.00 C ATOM 364 C ALA X 24 23.867 -17.213 -14.203 1.00 0.00 C ATOM 365 O ALA X 24 23.148 -16.886 -15.146 1.00 0.00 O ATOM 366 CB ALA X 24 25.740 -18.836 -14.643 1.00 0.00 C ATOM 0 H ALA X 24 26.631 -17.555 -12.726 1.00 0.00 H new ATOM 0 HA ALA X 24 25.675 -16.778 -15.285 1.00 0.00 H new ATOM 0 HB1 ALA X 24 25.179 -19.212 -15.499 1.00 0.00 H new ATOM 0 HB2 ALA X 24 26.808 -18.930 -14.839 1.00 0.00 H new ATOM 0 HB3 ALA X 24 25.481 -19.416 -13.757 1.00 0.00 H new ATOM 372 N THR X 25 23.370 -17.458 -12.977 1.00 0.00 N ATOM 373 CA THR X 25 21.936 -17.341 -12.715 1.00 0.00 C ATOM 374 C THR X 25 21.470 -15.893 -12.900 1.00 0.00 C ATOM 375 O THR X 25 20.342 -15.645 -13.326 1.00 0.00 O ATOM 376 CB THR X 25 21.598 -17.858 -11.296 1.00 0.00 C ATOM 377 OG1 THR X 25 20.253 -18.314 -11.278 1.00 0.00 O ATOM 378 CG2 THR X 25 21.766 -16.752 -10.237 1.00 0.00 C ATOM 0 H THR X 25 23.932 -17.732 -12.171 1.00 0.00 H new ATOM 0 HA THR X 25 21.401 -17.961 -13.435 1.00 0.00 H new ATOM 0 HB THR X 25 22.285 -18.669 -11.056 1.00 0.00 H new ATOM 0 HG1 THR X 25 20.032 -18.645 -10.382 1.00 0.00 H new ATOM 0 HG21 THR X 25 21.520 -17.150 -9.253 1.00 0.00 H new ATOM 0 HG22 THR X 25 22.798 -16.400 -10.239 1.00 0.00 H new ATOM 0 HG23 THR X 25 21.099 -15.922 -10.469 1.00 0.00 H new ATOM 386 N ALA X 26 22.347 -14.945 -12.575 1.00 0.00 N ATOM 387 CA ALA X 26 22.017 -13.531 -12.710 1.00 0.00 C ATOM 388 C ALA X 26 21.881 -13.147 -14.182 1.00 0.00 C ATOM 389 O ALA X 26 21.047 -12.318 -14.546 1.00 0.00 O ATOM 390 CB ALA X 26 23.100 -12.676 -12.044 1.00 0.00 C ATOM 0 H ALA X 26 23.285 -15.130 -12.219 1.00 0.00 H new ATOM 0 HA ALA X 26 21.062 -13.350 -12.216 1.00 0.00 H new ATOM 0 HB1 ALA X 26 22.846 -11.621 -12.149 1.00 0.00 H new ATOM 0 HB2 ALA X 26 23.165 -12.930 -10.986 1.00 0.00 H new ATOM 0 HB3 ALA X 26 24.060 -12.868 -12.523 1.00 0.00 H new ATOM 396 N GLU X 27 22.715 -13.754 -15.020 1.00 0.00 N ATOM 397 CA GLU X 27 22.697 -13.472 -16.454 1.00 0.00 C ATOM 398 C GLU X 27 21.354 -13.873 -17.064 1.00 0.00 C ATOM 399 O GLU X 27 20.925 -13.307 -18.066 1.00 0.00 O ATOM 400 CB GLU X 27 23.869 -14.218 -17.153 1.00 0.00 C ATOM 401 CG GLU X 27 23.373 -15.448 -17.939 1.00 0.00 C ATOM 402 CD GLU X 27 24.551 -16.296 -18.399 1.00 0.00 C ATOM 403 OE1 GLU X 27 25.677 -15.879 -18.182 1.00 0.00 O ATOM 404 OE2 GLU X 27 24.312 -17.352 -18.962 1.00 0.00 O ATOM 0 H GLU X 27 23.411 -14.443 -14.734 1.00 0.00 H new ATOM 0 HA GLU X 27 22.826 -12.400 -16.606 1.00 0.00 H new ATOM 0 HB2 GLU X 27 24.382 -13.536 -17.831 1.00 0.00 H new ATOM 0 HB3 GLU X 27 24.597 -14.533 -16.406 1.00 0.00 H new ATOM 0 HG2 GLU X 27 22.710 -16.045 -17.312 1.00 0.00 H new ATOM 0 HG3 GLU X 27 22.791 -15.125 -18.802 1.00 0.00 H new ATOM 411 N LYS X 28 20.710 -14.861 -16.466 1.00 0.00 N ATOM 412 CA LYS X 28 19.429 -15.331 -16.981 1.00 0.00 C ATOM 413 C LYS X 28 18.440 -14.176 -17.035 1.00 0.00 C ATOM 414 O LYS X 28 17.723 -14.005 -18.020 1.00 0.00 O ATOM 415 CB LYS X 28 18.875 -16.440 -16.083 1.00 0.00 C ATOM 416 CG LYS X 28 19.822 -17.642 -16.107 1.00 0.00 C ATOM 417 CD LYS X 28 19.169 -18.827 -15.379 1.00 0.00 C ATOM 418 CE LYS X 28 20.162 -20.004 -15.302 1.00 0.00 C ATOM 419 NZ LYS X 28 19.725 -21.000 -14.238 1.00 0.00 N ATOM 0 H LYS X 28 21.044 -15.349 -15.635 1.00 0.00 H new ATOM 0 HA LYS X 28 19.577 -15.727 -17.985 1.00 0.00 H new ATOM 0 HB2 LYS X 28 18.763 -16.073 -15.063 1.00 0.00 H new ATOM 0 HB3 LYS X 28 17.884 -16.738 -16.426 1.00 0.00 H new ATOM 0 HG2 LYS X 28 20.052 -17.916 -17.137 1.00 0.00 H new ATOM 0 HG3 LYS X 28 20.766 -17.383 -15.628 1.00 0.00 H new ATOM 0 HD2 LYS X 28 18.867 -18.527 -14.375 1.00 0.00 H new ATOM 0 HD3 LYS X 28 18.265 -19.135 -15.905 1.00 0.00 H new ATOM 0 HE2 LYS X 28 20.223 -20.500 -16.270 1.00 0.00 H new ATOM 0 HE3 LYS X 28 21.160 -19.631 -15.072 1.00 0.00 H new ATOM 0 HZ1 LYS X 28 20.404 -21.787 -14.199 1.00 0.00 H new ATOM 0 HZ2 LYS X 28 19.690 -20.526 -13.313 1.00 0.00 H new ATOM 0 HZ3 LYS X 28 18.782 -21.369 -14.474 1.00 0.00 H new ATOM 433 N VAL X 29 18.419 -13.379 -15.977 1.00 0.00 N ATOM 434 CA VAL X 29 17.525 -12.232 -15.921 1.00 0.00 C ATOM 435 C VAL X 29 17.977 -11.151 -16.899 1.00 0.00 C ATOM 436 O VAL X 29 17.184 -10.651 -17.693 1.00 0.00 O ATOM 437 CB VAL X 29 17.499 -11.659 -14.502 1.00 0.00 C ATOM 438 CG1 VAL X 29 16.354 -10.653 -14.377 1.00 0.00 C ATOM 439 CG2 VAL X 29 17.289 -12.795 -13.499 1.00 0.00 C ATOM 0 H VAL X 29 19.006 -13.504 -15.152 1.00 0.00 H new ATOM 0 HA VAL X 29 16.524 -12.562 -16.199 1.00 0.00 H new ATOM 0 HB VAL X 29 18.445 -11.159 -14.295 1.00 0.00 H new ATOM 0 HG11 VAL X 29 16.336 -10.246 -13.366 1.00 0.00 H new ATOM 0 HG12 VAL X 29 16.501 -9.844 -15.092 1.00 0.00 H new ATOM 0 HG13 VAL X 29 15.407 -11.152 -14.584 1.00 0.00 H new ATOM 0 HG21 VAL X 29 17.270 -12.389 -12.488 1.00 0.00 H new ATOM 0 HG22 VAL X 29 16.343 -13.294 -13.707 1.00 0.00 H new ATOM 0 HG23 VAL X 29 18.104 -13.513 -13.586 1.00 0.00 H new ATOM 449 N PHE X 30 19.255 -10.791 -16.826 1.00 0.00 N ATOM 450 CA PHE X 30 19.814 -9.756 -17.693 1.00 0.00 C ATOM 451 C PHE X 30 19.727 -10.138 -19.171 1.00 0.00 C ATOM 452 O PHE X 30 19.367 -9.310 -20.005 1.00 0.00 O ATOM 453 CB PHE X 30 21.283 -9.507 -17.336 1.00 0.00 C ATOM 454 CG PHE X 30 21.397 -8.925 -15.940 1.00 0.00 C ATOM 455 CD1 PHE X 30 20.812 -7.684 -15.641 1.00 0.00 C ATOM 456 CD2 PHE X 30 22.099 -9.620 -14.944 1.00 0.00 C ATOM 457 CE1 PHE X 30 20.927 -7.148 -14.353 1.00 0.00 C ATOM 458 CE2 PHE X 30 22.212 -9.080 -13.659 1.00 0.00 C ATOM 459 CZ PHE X 30 21.627 -7.844 -13.363 1.00 0.00 C ATOM 0 H PHE X 30 19.925 -11.201 -16.175 1.00 0.00 H new ATOM 0 HA PHE X 30 19.225 -8.853 -17.534 1.00 0.00 H new ATOM 0 HB2 PHE X 30 21.841 -10.441 -17.394 1.00 0.00 H new ATOM 0 HB3 PHE X 30 21.729 -8.824 -18.059 1.00 0.00 H new ATOM 0 HD1 PHE X 30 20.273 -7.143 -16.405 1.00 0.00 H new ATOM 0 HD2 PHE X 30 22.553 -10.574 -15.170 1.00 0.00 H new ATOM 0 HE1 PHE X 30 20.474 -6.195 -14.124 1.00 0.00 H new ATOM 0 HE2 PHE X 30 22.752 -9.618 -12.894 1.00 0.00 H new ATOM 0 HZ PHE X 30 21.716 -7.428 -12.370 1.00 0.00 H new ATOM 469 N LYS X 31 20.059 -11.385 -19.497 1.00 0.00 N ATOM 470 CA LYS X 31 20.004 -11.819 -20.891 1.00 0.00 C ATOM 471 C LYS X 31 18.558 -11.897 -21.363 1.00 0.00 C ATOM 472 O LYS X 31 18.236 -11.481 -22.477 1.00 0.00 O ATOM 473 CB LYS X 31 20.687 -13.184 -21.064 1.00 0.00 C ATOM 474 CG LYS X 31 22.209 -13.038 -20.883 1.00 0.00 C ATOM 475 CD LYS X 31 22.926 -14.223 -21.535 1.00 0.00 C ATOM 476 CE LYS X 31 24.429 -14.128 -21.259 1.00 0.00 C ATOM 477 NZ LYS X 31 25.162 -14.999 -22.218 1.00 0.00 N ATOM 0 H LYS X 31 20.362 -12.098 -18.833 1.00 0.00 H new ATOM 0 HA LYS X 31 20.537 -11.086 -21.497 1.00 0.00 H new ATOM 0 HB2 LYS X 31 20.292 -13.892 -20.336 1.00 0.00 H new ATOM 0 HB3 LYS X 31 20.467 -13.587 -22.052 1.00 0.00 H new ATOM 0 HG2 LYS X 31 22.550 -12.104 -21.331 1.00 0.00 H new ATOM 0 HG3 LYS X 31 22.455 -12.991 -19.822 1.00 0.00 H new ATOM 0 HD2 LYS X 31 22.532 -15.160 -21.142 1.00 0.00 H new ATOM 0 HD3 LYS X 31 22.743 -14.226 -22.609 1.00 0.00 H new ATOM 0 HE2 LYS X 31 24.764 -13.096 -21.359 1.00 0.00 H new ATOM 0 HE3 LYS X 31 24.642 -14.435 -20.235 1.00 0.00 H new ATOM 0 HZ1 LYS X 31 26.183 -14.936 -22.033 1.00 0.00 H new ATOM 0 HZ2 LYS X 31 24.849 -15.984 -22.102 1.00 0.00 H new ATOM 0 HZ3 LYS X 31 24.967 -14.686 -23.190 1.00 0.00 H new ATOM 491 N GLN X 32 17.687 -12.418 -20.508 1.00 0.00 N ATOM 492 CA GLN X 32 16.277 -12.526 -20.847 1.00 0.00 C ATOM 493 C GLN X 32 15.623 -11.149 -20.807 1.00 0.00 C ATOM 494 O GLN X 32 14.703 -10.861 -21.572 1.00 0.00 O ATOM 495 CB GLN X 32 15.578 -13.458 -19.860 1.00 0.00 C ATOM 496 CG GLN X 32 14.184 -13.807 -20.387 1.00 0.00 C ATOM 497 CD GLN X 32 14.296 -14.785 -21.552 1.00 0.00 C ATOM 498 OE1 GLN X 32 14.890 -15.855 -21.410 1.00 0.00 O ATOM 499 NE2 GLN X 32 13.754 -14.478 -22.712 1.00 0.00 N ATOM 0 H GLN X 32 17.931 -12.769 -19.582 1.00 0.00 H new ATOM 0 HA GLN X 32 16.185 -12.934 -21.854 1.00 0.00 H new ATOM 0 HB2 GLN X 32 16.165 -14.366 -19.723 1.00 0.00 H new ATOM 0 HB3 GLN X 32 15.500 -12.979 -18.884 1.00 0.00 H new ATOM 0 HG2 GLN X 32 13.584 -14.246 -19.590 1.00 0.00 H new ATOM 0 HG3 GLN X 32 13.671 -12.901 -20.710 1.00 0.00 H new ATOM 0 HE21 GLN X 32 13.263 -13.591 -22.827 1.00 0.00 H new ATOM 0 HE22 GLN X 32 13.825 -15.127 -23.496 1.00 0.00 H new ATOM 508 N TYR X 33 16.108 -10.305 -19.901 1.00 0.00 N ATOM 509 CA TYR X 33 15.575 -8.962 -19.751 1.00 0.00 C ATOM 510 C TYR X 33 15.967 -8.079 -20.934 1.00 0.00 C ATOM 511 O TYR X 33 15.155 -7.300 -21.428 1.00 0.00 O ATOM 512 CB TYR X 33 16.109 -8.348 -18.457 1.00 0.00 C ATOM 513 CG TYR X 33 15.724 -6.893 -18.401 1.00 0.00 C ATOM 514 CD1 TYR X 33 14.464 -6.520 -17.917 1.00 0.00 C ATOM 515 CD2 TYR X 33 16.626 -5.912 -18.832 1.00 0.00 C ATOM 516 CE1 TYR X 33 14.105 -5.168 -17.864 1.00 0.00 C ATOM 517 CE2 TYR X 33 16.267 -4.560 -18.779 1.00 0.00 C ATOM 518 CZ TYR X 33 15.007 -4.188 -18.294 1.00 0.00 C ATOM 519 OH TYR X 33 14.655 -2.855 -18.243 1.00 0.00 O ATOM 0 H TYR X 33 16.870 -10.531 -19.261 1.00 0.00 H new ATOM 0 HA TYR X 33 14.487 -9.024 -19.716 1.00 0.00 H new ATOM 0 HB2 TYR X 33 15.703 -8.877 -17.595 1.00 0.00 H new ATOM 0 HB3 TYR X 33 17.193 -8.451 -18.412 1.00 0.00 H new ATOM 0 HD1 TYR X 33 13.768 -7.276 -17.584 1.00 0.00 H new ATOM 0 HD2 TYR X 33 17.598 -6.199 -19.205 1.00 0.00 H new ATOM 0 HE1 TYR X 33 13.133 -4.881 -17.492 1.00 0.00 H new ATOM 0 HE2 TYR X 33 16.962 -3.803 -19.112 1.00 0.00 H new ATOM 0 HH TYR X 33 15.365 -2.346 -17.799 1.00 0.00 H new ATOM 529 N ALA X 34 17.215 -8.192 -21.369 1.00 0.00 N ATOM 530 CA ALA X 34 17.696 -7.379 -22.481 1.00 0.00 C ATOM 531 C ALA X 34 16.848 -7.630 -23.732 1.00 0.00 C ATOM 532 O ALA X 34 16.549 -6.698 -24.480 1.00 0.00 O ATOM 533 CB ALA X 34 19.164 -7.701 -22.772 1.00 0.00 C ATOM 0 H ALA X 34 17.906 -8.830 -20.975 1.00 0.00 H new ATOM 0 HA ALA X 34 17.610 -6.328 -22.205 1.00 0.00 H new ATOM 0 HB1 ALA X 34 19.513 -7.089 -23.604 1.00 0.00 H new ATOM 0 HB2 ALA X 34 19.765 -7.489 -21.888 1.00 0.00 H new ATOM 0 HB3 ALA X 34 19.261 -8.755 -23.032 1.00 0.00 H new ATOM 539 N ASN X 35 16.443 -8.884 -23.951 1.00 0.00 N ATOM 540 CA ASN X 35 15.619 -9.206 -25.101 1.00 0.00 C ATOM 541 C ASN X 35 14.284 -8.475 -24.988 1.00 0.00 C ATOM 542 O ASN X 35 13.808 -7.875 -25.952 1.00 0.00 O ATOM 543 CB ASN X 35 15.384 -10.715 -25.163 1.00 0.00 C ATOM 544 CG ASN X 35 14.877 -11.102 -26.551 1.00 0.00 C ATOM 545 OD1 ASN X 35 14.522 -10.232 -27.345 1.00 0.00 O ATOM 546 ND2 ASN X 35 14.819 -12.366 -26.897 1.00 0.00 N ATOM 0 H ASN X 35 16.672 -9.677 -23.352 1.00 0.00 H new ATOM 0 HA ASN X 35 16.127 -8.890 -26.012 1.00 0.00 H new ATOM 0 HB2 ASN X 35 16.310 -11.246 -24.943 1.00 0.00 H new ATOM 0 HB3 ASN X 35 14.659 -11.011 -24.405 1.00 0.00 H new ATOM 0 HD21 ASN X 35 14.480 -12.626 -27.823 1.00 0.00 H new ATOM 0 HD22 ASN X 35 15.113 -13.089 -26.240 1.00 0.00 H new ATOM 553 N ASP X 36 13.694 -8.525 -23.795 1.00 0.00 N ATOM 554 CA ASP X 36 12.423 -7.860 -23.546 1.00 0.00 C ATOM 555 C ASP X 36 12.585 -6.344 -23.624 1.00 0.00 C ATOM 556 O ASP X 36 11.624 -5.619 -23.880 1.00 0.00 O ATOM 557 CB ASP X 36 11.907 -8.243 -22.157 1.00 0.00 C ATOM 558 CG ASP X 36 12.152 -9.727 -21.911 1.00 0.00 C ATOM 559 OD1 ASP X 36 12.259 -10.459 -22.882 1.00 0.00 O ATOM 560 OD2 ASP X 36 12.230 -10.112 -20.756 1.00 0.00 O ATOM 0 H ASP X 36 14.077 -9.019 -22.989 1.00 0.00 H new ATOM 0 HA ASP X 36 11.710 -8.178 -24.307 1.00 0.00 H new ATOM 0 HB2 ASP X 36 12.411 -7.650 -21.394 1.00 0.00 H new ATOM 0 HB3 ASP X 36 10.842 -8.022 -22.080 1.00 0.00 H new ATOM 565 N ASN X 37 13.806 -5.873 -23.378 1.00 0.00 N ATOM 566 CA ASN X 37 14.083 -4.442 -23.397 1.00 0.00 C ATOM 567 C ASN X 37 14.381 -3.958 -24.825 1.00 0.00 C ATOM 568 O ASN X 37 14.133 -2.798 -25.152 1.00 0.00 O ATOM 569 CB ASN X 37 15.275 -4.166 -22.453 1.00 0.00 C ATOM 570 CG ASN X 37 14.847 -3.313 -21.259 1.00 0.00 C ATOM 571 OD1 ASN X 37 13.704 -3.397 -20.809 1.00 0.00 O ATOM 572 ND2 ASN X 37 15.706 -2.498 -20.713 1.00 0.00 N ATOM 0 H ASN X 37 14.613 -6.459 -23.165 1.00 0.00 H new ATOM 0 HA ASN X 37 13.208 -3.891 -23.052 1.00 0.00 H new ATOM 0 HB2 ASN X 37 15.689 -5.110 -22.099 1.00 0.00 H new ATOM 0 HB3 ASN X 37 16.067 -3.657 -23.002 1.00 0.00 H new ATOM 0 HD21 ASN X 37 15.431 -1.929 -19.912 1.00 0.00 H new ATOM 0 HD22 ASN X 37 16.653 -2.429 -21.087 1.00 0.00 H new ATOM 579 N GLY X 38 14.878 -4.856 -25.680 1.00 0.00 N ATOM 580 CA GLY X 38 15.165 -4.509 -27.078 1.00 0.00 C ATOM 581 C GLY X 38 16.660 -4.538 -27.406 1.00 0.00 C ATOM 582 O GLY X 38 17.042 -4.935 -28.507 1.00 0.00 O ATOM 0 H GLY X 38 15.089 -5.823 -25.433 1.00 0.00 H new ATOM 0 HA2 GLY X 38 14.641 -5.204 -27.734 1.00 0.00 H new ATOM 0 HA3 GLY X 38 14.772 -3.514 -27.288 1.00 0.00 H new ATOM 586 N VAL X 39 17.508 -4.097 -26.476 1.00 0.00 N ATOM 587 CA VAL X 39 18.951 -4.068 -26.738 1.00 0.00 C ATOM 588 C VAL X 39 19.577 -5.451 -26.538 1.00 0.00 C ATOM 589 O VAL X 39 19.718 -5.927 -25.415 1.00 0.00 O ATOM 590 CB VAL X 39 19.625 -3.016 -25.832 1.00 0.00 C ATOM 591 CG1 VAL X 39 19.054 -3.101 -24.416 1.00 0.00 C ATOM 592 CG2 VAL X 39 21.140 -3.244 -25.776 1.00 0.00 C ATOM 0 H VAL X 39 17.231 -3.761 -25.553 1.00 0.00 H new ATOM 0 HA VAL X 39 19.111 -3.788 -27.779 1.00 0.00 H new ATOM 0 HB VAL X 39 19.427 -2.029 -26.250 1.00 0.00 H new ATOM 0 HG11 VAL X 39 19.536 -2.355 -23.784 1.00 0.00 H new ATOM 0 HG12 VAL X 39 17.981 -2.914 -24.445 1.00 0.00 H new ATOM 0 HG13 VAL X 39 19.238 -4.095 -24.009 1.00 0.00 H new ATOM 0 HG21 VAL X 39 21.597 -2.493 -25.132 1.00 0.00 H new ATOM 0 HG22 VAL X 39 21.344 -4.237 -25.376 1.00 0.00 H new ATOM 0 HG23 VAL X 39 21.557 -3.165 -26.780 1.00 0.00 H new ATOM 602 N ASP X 40 19.965 -6.079 -27.650 1.00 0.00 N ATOM 603 CA ASP X 40 20.598 -7.403 -27.619 1.00 0.00 C ATOM 604 C ASP X 40 21.914 -7.364 -28.402 1.00 0.00 C ATOM 605 O ASP X 40 21.900 -7.226 -29.625 1.00 0.00 O ATOM 606 CB ASP X 40 19.652 -8.443 -28.238 1.00 0.00 C ATOM 607 CG ASP X 40 20.041 -9.852 -27.798 1.00 0.00 C ATOM 608 OD1 ASP X 40 19.613 -10.259 -26.731 1.00 0.00 O ATOM 609 OD2 ASP X 40 20.762 -10.503 -28.537 1.00 0.00 O ATOM 0 H ASP X 40 19.852 -5.692 -28.587 1.00 0.00 H new ATOM 0 HA ASP X 40 20.806 -7.680 -26.585 1.00 0.00 H new ATOM 0 HB2 ASP X 40 18.625 -8.233 -27.938 1.00 0.00 H new ATOM 0 HB3 ASP X 40 19.687 -8.373 -29.325 1.00 0.00 H new ATOM 614 N GLY X 41 23.055 -7.476 -27.705 1.00 0.00 N ATOM 615 CA GLY X 41 24.355 -7.434 -28.387 1.00 0.00 C ATOM 616 C GLY X 41 25.360 -8.409 -27.766 1.00 0.00 C ATOM 617 O GLY X 41 24.975 -9.405 -27.155 1.00 0.00 O ATOM 0 H GLY X 41 23.104 -7.594 -26.693 1.00 0.00 H new ATOM 0 HA2 GLY X 41 24.219 -7.676 -29.441 1.00 0.00 H new ATOM 0 HA3 GLY X 41 24.756 -6.422 -28.341 1.00 0.00 H new ATOM 621 N GLU X 42 26.656 -8.112 -27.933 1.00 0.00 N ATOM 622 CA GLU X 42 27.696 -8.962 -27.397 1.00 0.00 C ATOM 623 C GLU X 42 27.804 -8.772 -25.888 1.00 0.00 C ATOM 624 O GLU X 42 27.827 -7.645 -25.393 1.00 0.00 O ATOM 625 CB GLU X 42 29.037 -8.638 -28.064 1.00 0.00 C ATOM 626 CG GLU X 42 28.807 -8.355 -29.550 1.00 0.00 C ATOM 627 CD GLU X 42 30.146 -8.198 -30.264 1.00 0.00 C ATOM 628 OE1 GLU X 42 30.978 -9.078 -30.118 1.00 0.00 O ATOM 629 OE2 GLU X 42 30.318 -7.201 -30.944 1.00 0.00 O ATOM 0 H GLU X 42 26.995 -7.291 -28.434 1.00 0.00 H new ATOM 0 HA GLU X 42 27.441 -10.001 -27.604 1.00 0.00 H new ATOM 0 HB2 GLU X 42 29.496 -7.773 -27.584 1.00 0.00 H new ATOM 0 HB3 GLU X 42 29.727 -9.473 -27.944 1.00 0.00 H new ATOM 0 HG2 GLU X 42 28.239 -9.169 -30.000 1.00 0.00 H new ATOM 0 HG3 GLU X 42 28.214 -7.448 -29.669 1.00 0.00 H new ATOM 636 N TRP X 43 27.844 -9.885 -25.166 1.00 0.00 N ATOM 637 CA TRP X 43 27.918 -9.859 -23.709 1.00 0.00 C ATOM 638 C TRP X 43 29.343 -10.039 -23.206 1.00 0.00 C ATOM 639 O TRP X 43 30.223 -10.522 -23.918 1.00 0.00 O ATOM 640 CB TRP X 43 27.044 -10.978 -23.144 1.00 0.00 C ATOM 641 CG TRP X 43 25.606 -10.620 -23.326 1.00 0.00 C ATOM 642 CD1 TRP X 43 24.871 -10.848 -24.441 1.00 0.00 C ATOM 643 CD2 TRP X 43 24.722 -9.966 -22.382 1.00 0.00 C ATOM 644 NE1 TRP X 43 23.592 -10.363 -24.238 1.00 0.00 N ATOM 645 CE2 TRP X 43 23.449 -9.816 -22.980 1.00 0.00 C ATOM 646 CE3 TRP X 43 24.904 -9.494 -21.075 1.00 0.00 C ATOM 647 CZ2 TRP X 43 22.393 -9.215 -22.301 1.00 0.00 C ATOM 648 CZ3 TRP X 43 23.845 -8.891 -20.389 1.00 0.00 C ATOM 649 CH2 TRP X 43 22.589 -8.750 -20.998 1.00 0.00 C ATOM 0 H TRP X 43 27.826 -10.822 -25.568 1.00 0.00 H new ATOM 0 HA TRP X 43 27.566 -8.884 -23.374 1.00 0.00 H new ATOM 0 HB2 TRP X 43 27.264 -11.918 -23.651 1.00 0.00 H new ATOM 0 HB3 TRP X 43 27.263 -11.127 -22.087 1.00 0.00 H new ATOM 0 HD1 TRP X 43 25.226 -11.329 -25.340 1.00 0.00 H new ATOM 0 HE1 TRP X 43 22.846 -10.405 -24.933 1.00 0.00 H new ATOM 0 HE3 TRP X 43 25.866 -9.596 -20.596 1.00 0.00 H new ATOM 0 HZ2 TRP X 43 21.430 -9.109 -22.778 1.00 0.00 H new ATOM 0 HZ3 TRP X 43 23.995 -8.531 -19.382 1.00 0.00 H new ATOM 0 HH2 TRP X 43 21.776 -8.283 -20.461 1.00 0.00 H new ATOM 660 N THR X 44 29.538 -9.647 -21.957 1.00 0.00 N ATOM 661 CA THR X 44 30.834 -9.752 -21.299 1.00 0.00 C ATOM 662 C THR X 44 30.620 -9.777 -19.786 1.00 0.00 C ATOM 663 O THR X 44 29.512 -9.512 -19.318 1.00 0.00 O ATOM 664 CB THR X 44 31.719 -8.560 -21.689 1.00 0.00 C ATOM 665 OG1 THR X 44 32.893 -8.566 -20.887 1.00 0.00 O ATOM 666 CG2 THR X 44 30.957 -7.249 -21.468 1.00 0.00 C ATOM 0 H THR X 44 28.805 -9.248 -21.370 1.00 0.00 H new ATOM 0 HA THR X 44 31.333 -10.669 -21.612 1.00 0.00 H new ATOM 0 HB THR X 44 31.990 -8.642 -22.742 1.00 0.00 H new ATOM 0 HG1 THR X 44 33.462 -7.807 -21.134 1.00 0.00 H new ATOM 0 HG21 THR X 44 31.592 -6.408 -21.747 1.00 0.00 H new ATOM 0 HG22 THR X 44 30.057 -7.244 -22.082 1.00 0.00 H new ATOM 0 HG23 THR X 44 30.680 -7.162 -20.417 1.00 0.00 H new ATOM 674 N TYR X 45 31.658 -10.091 -19.014 1.00 0.00 N ATOM 675 CA TYR X 45 31.496 -10.128 -17.567 1.00 0.00 C ATOM 676 C TYR X 45 32.825 -10.359 -16.857 1.00 0.00 C ATOM 677 O TYR X 45 33.605 -11.234 -17.232 1.00 0.00 O ATOM 678 CB TYR X 45 30.498 -11.239 -17.203 1.00 0.00 C ATOM 679 CG TYR X 45 30.624 -11.642 -15.741 1.00 0.00 C ATOM 680 CD1 TYR X 45 30.741 -10.669 -14.740 1.00 0.00 C ATOM 681 CD2 TYR X 45 30.618 -13.000 -15.396 1.00 0.00 C ATOM 682 CE1 TYR X 45 30.849 -11.057 -13.401 1.00 0.00 C ATOM 683 CE2 TYR X 45 30.728 -13.386 -14.058 1.00 0.00 C ATOM 684 CZ TYR X 45 30.842 -12.415 -13.058 1.00 0.00 C ATOM 685 OH TYR X 45 30.946 -12.797 -11.735 1.00 0.00 O ATOM 0 H TYR X 45 32.593 -10.317 -19.355 1.00 0.00 H new ATOM 0 HA TYR X 45 31.116 -9.162 -17.236 1.00 0.00 H new ATOM 0 HB2 TYR X 45 29.482 -10.897 -17.401 1.00 0.00 H new ATOM 0 HB3 TYR X 45 30.671 -12.108 -17.838 1.00 0.00 H new ATOM 0 HD1 TYR X 45 30.748 -9.621 -15.002 1.00 0.00 H new ATOM 0 HD2 TYR X 45 30.528 -13.751 -16.167 1.00 0.00 H new ATOM 0 HE1 TYR X 45 30.938 -10.307 -12.629 1.00 0.00 H new ATOM 0 HE2 TYR X 45 30.725 -14.434 -13.796 1.00 0.00 H new ATOM 0 HH TYR X 45 30.083 -12.668 -11.288 1.00 0.00 H new ATOM 695 N ASP X 46 33.043 -9.583 -15.798 1.00 0.00 N ATOM 696 CA ASP X 46 34.246 -9.707 -14.986 1.00 0.00 C ATOM 697 C ASP X 46 33.837 -9.955 -13.527 1.00 0.00 C ATOM 698 O ASP X 46 33.263 -9.078 -12.882 1.00 0.00 O ATOM 699 CB ASP X 46 35.086 -8.427 -15.089 1.00 0.00 C ATOM 700 CG ASP X 46 36.186 -8.455 -14.037 1.00 0.00 C ATOM 701 OD1 ASP X 46 36.689 -9.532 -13.762 1.00 0.00 O ATOM 702 OD2 ASP X 46 36.513 -7.398 -13.520 1.00 0.00 O ATOM 0 H ASP X 46 32.397 -8.859 -15.483 1.00 0.00 H new ATOM 0 HA ASP X 46 34.847 -10.543 -15.345 1.00 0.00 H new ATOM 0 HB2 ASP X 46 35.522 -8.345 -16.084 1.00 0.00 H new ATOM 0 HB3 ASP X 46 34.453 -7.551 -14.945 1.00 0.00 H new ATOM 707 N ASP X 47 34.128 -11.153 -13.014 1.00 0.00 N ATOM 708 CA ASP X 47 33.775 -11.488 -11.638 1.00 0.00 C ATOM 709 C ASP X 47 34.571 -10.641 -10.652 1.00 0.00 C ATOM 710 O ASP X 47 34.232 -10.565 -9.472 1.00 0.00 O ATOM 711 CB ASP X 47 34.048 -12.970 -11.376 1.00 0.00 C ATOM 712 CG ASP X 47 33.409 -13.393 -10.058 1.00 0.00 C ATOM 713 OD1 ASP X 47 32.299 -12.962 -9.795 1.00 0.00 O ATOM 714 OD2 ASP X 47 34.040 -14.141 -9.329 1.00 0.00 O ATOM 0 H ASP X 47 34.602 -11.897 -13.526 1.00 0.00 H new ATOM 0 HA ASP X 47 32.714 -11.281 -11.498 1.00 0.00 H new ATOM 0 HB2 ASP X 47 33.649 -13.572 -12.193 1.00 0.00 H new ATOM 0 HB3 ASP X 47 35.123 -13.150 -11.343 1.00 0.00 H new ATOM 719 N ALA X 48 35.632 -10.010 -11.141 1.00 0.00 N ATOM 720 CA ALA X 48 36.473 -9.176 -10.290 1.00 0.00 C ATOM 721 C ALA X 48 35.836 -7.799 -10.065 1.00 0.00 C ATOM 722 O ALA X 48 36.253 -7.061 -9.172 1.00 0.00 O ATOM 723 CB ALA X 48 37.848 -9.002 -10.933 1.00 0.00 C ATOM 0 H ALA X 48 35.929 -10.059 -12.115 1.00 0.00 H new ATOM 0 HA ALA X 48 36.577 -9.671 -9.324 1.00 0.00 H new ATOM 0 HB1 ALA X 48 38.472 -8.378 -10.293 1.00 0.00 H new ATOM 0 HB2 ALA X 48 38.317 -9.978 -11.058 1.00 0.00 H new ATOM 0 HB3 ALA X 48 37.737 -8.526 -11.907 1.00 0.00 H new ATOM 729 N THR X 49 34.829 -7.451 -10.880 1.00 0.00 N ATOM 730 CA THR X 49 34.155 -6.149 -10.753 1.00 0.00 C ATOM 731 C THR X 49 32.637 -6.329 -10.666 1.00 0.00 C ATOM 732 O THR X 49 31.897 -5.345 -10.627 1.00 0.00 O ATOM 733 CB THR X 49 34.503 -5.252 -11.963 1.00 0.00 C ATOM 734 OG1 THR X 49 34.530 -6.043 -13.140 1.00 0.00 O ATOM 735 CG2 THR X 49 35.873 -4.599 -11.759 1.00 0.00 C ATOM 0 H THR X 49 34.466 -8.045 -11.626 1.00 0.00 H new ATOM 0 HA THR X 49 34.503 -5.673 -9.836 1.00 0.00 H new ATOM 0 HB THR X 49 33.748 -4.472 -12.057 1.00 0.00 H new ATOM 0 HG1 THR X 49 35.460 -6.227 -13.389 1.00 0.00 H new ATOM 0 HG21 THR X 49 36.108 -3.970 -12.617 1.00 0.00 H new ATOM 0 HG22 THR X 49 35.854 -3.989 -10.856 1.00 0.00 H new ATOM 0 HG23 THR X 49 36.634 -5.373 -11.658 1.00 0.00 H new ATOM 743 N LYS X 50 32.172 -7.582 -10.636 1.00 0.00 N ATOM 744 CA LYS X 50 30.737 -7.849 -10.556 1.00 0.00 C ATOM 745 C LYS X 50 29.957 -6.887 -11.455 1.00 0.00 C ATOM 746 O LYS X 50 29.086 -6.158 -10.982 1.00 0.00 O ATOM 747 CB LYS X 50 30.258 -7.695 -9.109 1.00 0.00 C ATOM 748 CG LYS X 50 31.205 -8.438 -8.163 1.00 0.00 C ATOM 749 CD LYS X 50 31.189 -9.938 -8.483 1.00 0.00 C ATOM 750 CE LYS X 50 31.768 -10.725 -7.304 1.00 0.00 C ATOM 751 NZ LYS X 50 31.656 -12.185 -7.582 1.00 0.00 N ATOM 0 H LYS X 50 32.760 -8.415 -10.666 1.00 0.00 H new ATOM 0 HA LYS X 50 30.559 -8.870 -10.894 1.00 0.00 H new ATOM 0 HB2 LYS X 50 30.217 -6.639 -8.841 1.00 0.00 H new ATOM 0 HB3 LYS X 50 29.247 -8.089 -9.008 1.00 0.00 H new ATOM 0 HG2 LYS X 50 32.217 -8.046 -8.265 1.00 0.00 H new ATOM 0 HG3 LYS X 50 30.903 -8.274 -7.129 1.00 0.00 H new ATOM 0 HD2 LYS X 50 30.169 -10.265 -8.685 1.00 0.00 H new ATOM 0 HD3 LYS X 50 31.771 -10.133 -9.384 1.00 0.00 H new ATOM 0 HE2 LYS X 50 32.812 -10.452 -7.148 1.00 0.00 H new ATOM 0 HE3 LYS X 50 31.233 -10.476 -6.388 1.00 0.00 H new ATOM 0 HZ1 LYS X 50 32.414 -12.693 -7.083 1.00 0.00 H new ATOM 0 HZ2 LYS X 50 30.732 -12.531 -7.252 1.00 0.00 H new ATOM 0 HZ3 LYS X 50 31.743 -12.351 -8.605 1.00 0.00 H new ATOM 765 N THR X 51 30.280 -6.879 -12.752 1.00 0.00 N ATOM 766 CA THR X 51 29.598 -5.982 -13.696 1.00 0.00 C ATOM 767 C THR X 51 29.463 -6.617 -15.088 1.00 0.00 C ATOM 768 O THR X 51 30.450 -7.065 -15.674 1.00 0.00 O ATOM 769 CB THR X 51 30.379 -4.663 -13.812 1.00 0.00 C ATOM 770 OG1 THR X 51 30.479 -4.060 -12.531 1.00 0.00 O ATOM 771 CG2 THR X 51 29.648 -3.715 -14.769 1.00 0.00 C ATOM 0 H THR X 51 30.997 -7.472 -13.169 1.00 0.00 H new ATOM 0 HA THR X 51 28.596 -5.794 -13.311 1.00 0.00 H new ATOM 0 HB THR X 51 31.378 -4.865 -14.198 1.00 0.00 H new ATOM 0 HG1 THR X 51 31.186 -4.502 -12.016 1.00 0.00 H new ATOM 0 HG21 THR X 51 30.203 -2.780 -14.850 1.00 0.00 H new ATOM 0 HG22 THR X 51 29.572 -4.178 -15.753 1.00 0.00 H new ATOM 0 HG23 THR X 51 28.648 -3.511 -14.386 1.00 0.00 H new ATOM 779 N PHE X 52 28.231 -6.628 -15.620 1.00 0.00 N ATOM 780 CA PHE X 52 27.959 -7.174 -16.945 1.00 0.00 C ATOM 781 C PHE X 52 27.672 -6.026 -17.908 1.00 0.00 C ATOM 782 O PHE X 52 27.218 -4.966 -17.485 1.00 0.00 O ATOM 783 CB PHE X 52 26.733 -8.090 -16.878 1.00 0.00 C ATOM 784 CG PHE X 52 27.100 -9.409 -16.235 1.00 0.00 C ATOM 785 CD1 PHE X 52 27.568 -9.449 -14.913 1.00 0.00 C ATOM 786 CD2 PHE X 52 26.960 -10.604 -16.959 1.00 0.00 C ATOM 787 CE1 PHE X 52 27.897 -10.678 -14.325 1.00 0.00 C ATOM 788 CE2 PHE X 52 27.289 -11.827 -16.368 1.00 0.00 C ATOM 789 CZ PHE X 52 27.758 -11.864 -15.052 1.00 0.00 C ATOM 0 H PHE X 52 27.407 -6.261 -15.144 1.00 0.00 H new ATOM 0 HA PHE X 52 28.822 -7.743 -17.290 1.00 0.00 H new ATOM 0 HB2 PHE X 52 25.940 -7.607 -16.307 1.00 0.00 H new ATOM 0 HB3 PHE X 52 26.344 -8.262 -17.881 1.00 0.00 H new ATOM 0 HD1 PHE X 52 27.675 -8.534 -14.349 1.00 0.00 H new ATOM 0 HD2 PHE X 52 26.597 -10.578 -17.976 1.00 0.00 H new ATOM 0 HE1 PHE X 52 28.259 -10.709 -13.308 1.00 0.00 H new ATOM 0 HE2 PHE X 52 27.181 -12.744 -16.928 1.00 0.00 H new ATOM 0 HZ PHE X 52 28.013 -12.809 -14.596 1.00 0.00 H new ATOM 799 N THR X 53 27.917 -6.230 -19.200 1.00 0.00 N ATOM 800 CA THR X 53 27.645 -5.177 -20.183 1.00 0.00 C ATOM 801 C THR X 53 27.305 -5.797 -21.541 1.00 0.00 C ATOM 802 O THR X 53 28.038 -6.651 -22.033 1.00 0.00 O ATOM 803 CB THR X 53 28.851 -4.235 -20.341 1.00 0.00 C ATOM 804 OG1 THR X 53 29.920 -4.933 -20.956 1.00 0.00 O ATOM 805 CG2 THR X 53 29.309 -3.705 -18.977 1.00 0.00 C ATOM 0 H THR X 53 28.295 -7.094 -19.588 1.00 0.00 H new ATOM 0 HA THR X 53 26.796 -4.597 -19.821 1.00 0.00 H new ATOM 0 HB THR X 53 28.552 -3.391 -20.962 1.00 0.00 H new ATOM 0 HG1 THR X 53 30.687 -4.332 -21.058 1.00 0.00 H new ATOM 0 HG21 THR X 53 30.163 -3.041 -19.113 1.00 0.00 H new ATOM 0 HG22 THR X 53 28.493 -3.156 -18.507 1.00 0.00 H new ATOM 0 HG23 THR X 53 29.597 -4.541 -18.340 1.00 0.00 H new ATOM 813 N VAL X 54 26.198 -5.351 -22.154 1.00 0.00 N ATOM 814 CA VAL X 54 25.794 -5.870 -23.470 1.00 0.00 C ATOM 815 C VAL X 54 25.904 -4.755 -24.513 1.00 0.00 C ATOM 816 O VAL X 54 25.329 -3.680 -24.350 1.00 0.00 O ATOM 817 CB VAL X 54 24.355 -6.400 -23.409 1.00 0.00 C ATOM 818 CG1 VAL X 54 23.394 -5.255 -23.085 1.00 0.00 C ATOM 819 CG2 VAL X 54 23.979 -7.025 -24.761 1.00 0.00 C ATOM 0 H VAL X 54 25.575 -4.643 -21.767 1.00 0.00 H new ATOM 0 HA VAL X 54 26.453 -6.691 -23.752 1.00 0.00 H new ATOM 0 HB VAL X 54 24.284 -7.157 -22.628 1.00 0.00 H new ATOM 0 HG11 VAL X 54 22.374 -5.637 -23.043 1.00 0.00 H new ATOM 0 HG12 VAL X 54 23.658 -4.820 -22.121 1.00 0.00 H new ATOM 0 HG13 VAL X 54 23.464 -4.491 -23.860 1.00 0.00 H new ATOM 0 HG21 VAL X 54 22.957 -7.401 -24.716 1.00 0.00 H new ATOM 0 HG22 VAL X 54 24.054 -6.271 -25.544 1.00 0.00 H new ATOM 0 HG23 VAL X 54 24.659 -7.848 -24.983 1.00 0.00 H new ATOM 829 N THR X 55 26.676 -5.011 -25.575 1.00 0.00 N ATOM 830 CA THR X 55 26.894 -4.015 -26.639 1.00 0.00 C ATOM 831 C THR X 55 26.534 -4.579 -28.021 1.00 0.00 C ATOM 832 O THR X 55 27.106 -5.578 -28.457 1.00 0.00 O ATOM 833 CB THR X 55 28.365 -3.544 -26.620 1.00 0.00 C ATOM 834 OG1 THR X 55 28.470 -2.311 -27.317 1.00 0.00 O ATOM 835 CG2 THR X 55 29.278 -4.583 -27.287 1.00 0.00 C ATOM 0 H THR X 55 27.161 -5.896 -25.724 1.00 0.00 H new ATOM 0 HA THR X 55 26.238 -3.165 -26.448 1.00 0.00 H new ATOM 0 HB THR X 55 28.679 -3.419 -25.584 1.00 0.00 H new ATOM 0 HG1 THR X 55 29.402 -2.007 -27.306 1.00 0.00 H new ATOM 0 HG21 THR X 55 30.309 -4.230 -27.262 1.00 0.00 H new ATOM 0 HG22 THR X 55 29.205 -5.529 -26.751 1.00 0.00 H new ATOM 0 HG23 THR X 55 28.969 -4.728 -28.322 1.00 0.00 H new ATOM 843 N GLU X 56 25.588 -3.921 -28.709 1.00 0.00 N ATOM 844 CA GLU X 56 25.163 -4.353 -30.045 1.00 0.00 C ATOM 845 C GLU X 56 25.725 -3.406 -31.105 1.00 0.00 C ATOM 846 O GLU X 56 25.788 -3.805 -32.255 1.00 0.00 O ATOM 847 CB GLU X 56 23.628 -4.373 -30.123 1.00 0.00 C ATOM 848 CG GLU X 56 23.054 -3.233 -29.280 1.00 0.00 C ATOM 849 CD GLU X 56 21.532 -3.217 -29.388 1.00 0.00 C ATOM 850 OE1 GLU X 56 20.996 -4.096 -30.041 1.00 0.00 O ATOM 851 OE2 GLU X 56 20.927 -2.326 -28.815 1.00 0.00 O ATOM 852 OXT GLU X 56 26.083 -2.294 -30.749 1.00 0.00 O ATOM 0 H GLU X 56 25.106 -3.092 -28.362 1.00 0.00 H new ATOM 0 HA GLU X 56 25.543 -5.357 -30.231 1.00 0.00 H new ATOM 0 HB2 GLU X 56 23.306 -4.270 -31.159 1.00 0.00 H new ATOM 0 HB3 GLU X 56 23.248 -5.330 -29.765 1.00 0.00 H new ATOM 0 HG2 GLU X 56 23.351 -3.355 -28.238 1.00 0.00 H new ATOM 0 HG3 GLU X 56 23.461 -2.280 -29.618 1.00 0.00 H new TER 859 GLU X 56