USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, 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: A 17 THR OG1 : rot -133:sc= 0.931 USER MOD Set 1.2: A 34 TYR OH : rot 180:sc=-0.00877 USER MOD Set 2.1: A 9 ASN : amide:sc= 1.03 K(o=2.2,f=-5!) USER MOD Set 2.2: A 14 LYS NZ :NH3+ -174:sc= 1.17 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -125:sc= 0.0933 (180deg=-0.577) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -164:sc= 1.11 (180deg=0.802) USER MOD Single : A 11 LYS NZ :NH3+ -122:sc= 1.24 (180deg=-0.304) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 99:sc= 1.15 USER MOD Single : A 26 THR OG1 : rot -130: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) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= -0.575 K(o=-0.57,f=-1.3!) 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 87:sc= 1.25 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0514 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 -17.180 2.567 3.137 1.00 0.00 N ATOM 2 CA MET A 1 -16.129 2.294 2.131 1.00 0.00 C ATOM 3 C MET A 1 -15.312 1.068 2.553 1.00 0.00 C ATOM 4 O MET A 1 -15.781 0.311 3.408 1.00 0.00 O ATOM 5 CB MET A 1 -15.295 3.553 1.851 1.00 0.00 C ATOM 6 CG MET A 1 -16.141 4.546 1.052 1.00 0.00 C ATOM 7 SD MET A 1 -15.499 6.231 0.944 1.00 0.00 S ATOM 8 CE MET A 1 -16.886 6.950 0.030 1.00 0.00 C ATOM 0 H1 MET A 1 -18.109 2.596 2.670 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.177 1.815 3.855 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.994 3.483 3.594 1.00 0.00 H new ATOM 0 HA MET A 1 -16.583 2.041 1.173 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.970 4.005 2.788 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.395 3.292 1.294 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.260 4.159 0.040 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.135 4.586 1.497 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.695 8.008 -0.149 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.999 6.436 -0.924 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.801 6.840 0.612 1.00 0.00 H new ATOM 18 N GLY A 2 -14.153 0.803 1.935 1.00 0.00 N ATOM 19 CA GLY A 2 -13.285 -0.332 2.229 1.00 0.00 C ATOM 20 C GLY A 2 -12.052 0.118 3.003 1.00 0.00 C ATOM 21 O GLY A 2 -11.669 1.285 2.941 1.00 0.00 O ATOM 0 H GLY A 2 -13.786 1.397 1.192 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -13.833 -1.075 2.809 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -12.981 -0.814 1.300 1.00 0.00 H new ATOM 25 N THR A 3 -11.376 -0.804 3.685 1.00 0.00 N ATOM 26 CA THR A 3 -10.186 -0.509 4.471 1.00 0.00 C ATOM 27 C THR A 3 -9.036 -1.324 3.892 1.00 0.00 C ATOM 28 O THR A 3 -8.950 -2.526 4.137 1.00 0.00 O ATOM 29 CB THR A 3 -10.470 -0.759 5.960 1.00 0.00 C ATOM 30 OG1 THR A 3 -11.640 -0.060 6.362 1.00 0.00 O ATOM 31 CG2 THR A 3 -9.303 -0.275 6.825 1.00 0.00 C ATOM 0 H THR A 3 -11.645 -1.788 3.706 1.00 0.00 H new ATOM 0 HA THR A 3 -9.898 0.541 4.413 1.00 0.00 H new ATOM 0 HB THR A 3 -10.607 -1.832 6.094 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.812 -0.228 7.312 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.526 -0.462 7.875 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.396 -0.811 6.546 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.154 0.794 6.671 1.00 0.00 H new ATOM 39 N TYR A 4 -8.138 -0.681 3.145 1.00 0.00 N ATOM 40 CA TYR A 4 -7.008 -1.351 2.521 1.00 0.00 C ATOM 41 C TYR A 4 -5.805 -1.225 3.444 1.00 0.00 C ATOM 42 O TYR A 4 -5.288 -0.121 3.664 1.00 0.00 O ATOM 43 CB TYR A 4 -6.706 -0.741 1.144 1.00 0.00 C ATOM 44 CG TYR A 4 -7.780 -0.950 0.091 1.00 0.00 C ATOM 45 CD1 TYR A 4 -8.808 -0.001 -0.065 1.00 0.00 C ATOM 46 CD2 TYR A 4 -7.729 -2.066 -0.768 1.00 0.00 C ATOM 47 CE1 TYR A 4 -9.764 -0.150 -1.082 1.00 0.00 C ATOM 48 CE2 TYR A 4 -8.681 -2.220 -1.794 1.00 0.00 C ATOM 49 CZ TYR A 4 -9.698 -1.251 -1.962 1.00 0.00 C ATOM 50 OH TYR A 4 -10.616 -1.350 -2.961 1.00 0.00 O ATOM 0 H TYR A 4 -8.178 0.321 2.958 1.00 0.00 H new ATOM 0 HA TYR A 4 -7.243 -2.404 2.365 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -6.545 0.330 1.267 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -5.772 -1.164 0.775 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -8.861 0.847 0.602 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -6.955 -2.808 -0.639 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -10.552 0.580 -1.191 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -8.635 -3.076 -2.451 1.00 0.00 H new ATOM 0 HH TYR A 4 -10.443 -2.159 -3.486 1.00 0.00 H new ATOM 60 N LYS A 5 -5.406 -2.348 4.040 1.00 0.00 N ATOM 61 CA LYS A 5 -4.261 -2.398 4.932 1.00 0.00 C ATOM 62 C LYS A 5 -3.021 -2.303 4.049 1.00 0.00 C ATOM 63 O LYS A 5 -2.818 -3.173 3.199 1.00 0.00 O ATOM 64 CB LYS A 5 -4.302 -3.699 5.735 1.00 0.00 C ATOM 65 CG LYS A 5 -3.137 -3.743 6.720 1.00 0.00 C ATOM 66 CD LYS A 5 -3.148 -5.047 7.515 1.00 0.00 C ATOM 67 CE LYS A 5 -1.766 -5.232 8.131 1.00 0.00 C ATOM 68 NZ LYS A 5 -1.634 -6.492 8.885 1.00 0.00 N ATOM 0 H LYS A 5 -5.872 -3.247 3.914 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.259 -1.582 5.655 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.247 -3.774 6.273 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.251 -4.554 5.061 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.195 -3.649 6.180 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.200 -2.895 7.402 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.911 -5.013 8.293 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.392 -5.888 6.866 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.016 -5.208 7.340 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.556 -4.394 8.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.794 -6.445 9.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.481 -6.636 9.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.535 -7.286 8.220 1.00 0.00 H new ATOM 82 N LEU A 6 -2.222 -1.261 4.228 1.00 0.00 N ATOM 83 CA LEU A 6 -1.010 -1.005 3.469 1.00 0.00 C ATOM 84 C LEU A 6 0.167 -1.779 4.058 1.00 0.00 C ATOM 85 O LEU A 6 0.434 -1.687 5.258 1.00 0.00 O ATOM 86 CB LEU A 6 -0.724 0.509 3.541 1.00 0.00 C ATOM 87 CG LEU A 6 0.298 1.106 2.549 1.00 0.00 C ATOM 88 CD1 LEU A 6 1.653 0.404 2.439 1.00 0.00 C ATOM 89 CD2 LEU A 6 -0.306 1.153 1.152 1.00 0.00 C ATOM 0 H LEU A 6 -2.408 -0.546 4.931 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.142 -1.328 2.436 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.669 1.034 3.401 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.380 0.735 4.550 1.00 0.00 H new ATOM 0 HG LEU A 6 0.507 2.090 2.968 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.274 0.924 1.709 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.148 0.414 3.410 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.504 -0.627 2.119 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.419 1.575 0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.568 0.144 0.835 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.202 1.774 1.164 1.00 0.00 H new ATOM 101 N ILE A 7 0.860 -2.561 3.234 1.00 0.00 N ATOM 102 CA ILE A 7 2.042 -3.315 3.621 1.00 0.00 C ATOM 103 C ILE A 7 3.124 -2.851 2.649 1.00 0.00 C ATOM 104 O ILE A 7 2.919 -2.795 1.435 1.00 0.00 O ATOM 105 CB ILE A 7 1.837 -4.844 3.619 1.00 0.00 C ATOM 106 CG1 ILE A 7 0.908 -5.329 4.757 1.00 0.00 C ATOM 107 CG2 ILE A 7 3.189 -5.552 3.819 1.00 0.00 C ATOM 108 CD1 ILE A 7 -0.575 -5.300 4.392 1.00 0.00 C ATOM 0 H ILE A 7 0.606 -2.689 2.254 1.00 0.00 H new ATOM 0 HA ILE A 7 2.314 -3.121 4.659 1.00 0.00 H new ATOM 0 HB ILE A 7 1.382 -5.085 2.658 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.186 -6.346 5.032 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.069 -4.706 5.636 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.038 -6.632 3.817 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.866 -5.278 3.010 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.621 -5.248 4.772 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.165 -5.653 5.238 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.869 -4.280 4.145 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.751 -5.946 3.532 1.00 0.00 H new ATOM 120 N LEU A 8 4.263 -2.457 3.200 1.00 0.00 N ATOM 121 CA LEU A 8 5.418 -1.992 2.462 1.00 0.00 C ATOM 122 C LEU A 8 6.419 -3.132 2.554 1.00 0.00 C ATOM 123 O LEU A 8 6.800 -3.512 3.661 1.00 0.00 O ATOM 124 CB LEU A 8 5.921 -0.676 3.081 1.00 0.00 C ATOM 125 CG LEU A 8 6.394 0.309 2.010 1.00 0.00 C ATOM 126 CD1 LEU A 8 5.228 0.916 1.222 1.00 0.00 C ATOM 127 CD2 LEU A 8 7.184 1.437 2.681 1.00 0.00 C ATOM 0 H LEU A 8 4.409 -2.454 4.210 1.00 0.00 H new ATOM 0 HA LEU A 8 5.216 -1.760 1.416 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.122 -0.221 3.667 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.740 -0.887 3.769 1.00 0.00 H new ATOM 0 HG LEU A 8 7.019 -0.242 1.307 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.615 1.608 0.474 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.671 0.121 0.726 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.567 1.451 1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.524 2.143 1.924 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.544 1.953 3.397 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.046 1.018 3.200 1.00 0.00 H new ATOM 139 N ASN A 9 6.829 -3.700 1.425 1.00 0.00 N ATOM 140 CA ASN A 9 7.761 -4.815 1.359 1.00 0.00 C ATOM 141 C ASN A 9 8.884 -4.422 0.400 1.00 0.00 C ATOM 142 O ASN A 9 8.825 -4.706 -0.794 1.00 0.00 O ATOM 143 CB ASN A 9 6.968 -6.063 0.943 1.00 0.00 C ATOM 144 CG ASN A 9 7.806 -7.318 1.052 1.00 0.00 C ATOM 145 OD1 ASN A 9 7.665 -8.086 2.004 1.00 0.00 O ATOM 146 ND2 ASN A 9 8.679 -7.568 0.111 1.00 0.00 N ATOM 0 H ASN A 9 6.513 -3.388 0.507 1.00 0.00 H new ATOM 0 HA ASN A 9 8.233 -5.051 2.313 1.00 0.00 H new ATOM 0 HB2 ASN A 9 6.084 -6.160 1.573 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.618 -5.947 -0.083 1.00 0.00 H new ATOM 0 HD21 ASN A 9 9.255 -8.409 0.160 1.00 0.00 H new ATOM 0 HD22 ASN A 9 8.784 -6.922 -0.672 1.00 0.00 H new ATOM 153 N GLY A 10 9.867 -3.684 0.914 1.00 0.00 N ATOM 154 CA GLY A 10 11.000 -3.200 0.145 1.00 0.00 C ATOM 155 C GLY A 10 12.172 -4.171 0.090 1.00 0.00 C ATOM 156 O GLY A 10 12.135 -5.269 0.656 1.00 0.00 O ATOM 0 H GLY A 10 9.894 -3.404 1.894 1.00 0.00 H new ATOM 0 HA2 GLY A 10 10.671 -2.986 -0.872 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.342 -2.258 0.574 1.00 0.00 H new ATOM 160 N LYS A 11 13.237 -3.733 -0.593 1.00 0.00 N ATOM 161 CA LYS A 11 14.465 -4.511 -0.753 1.00 0.00 C ATOM 162 C LYS A 11 15.403 -4.372 0.447 1.00 0.00 C ATOM 163 O LYS A 11 16.328 -5.174 0.569 1.00 0.00 O ATOM 164 CB LYS A 11 15.178 -4.178 -2.084 1.00 0.00 C ATOM 165 CG LYS A 11 15.911 -2.818 -2.174 1.00 0.00 C ATOM 166 CD LYS A 11 15.299 -1.871 -3.211 1.00 0.00 C ATOM 167 CE LYS A 11 16.162 -0.629 -3.475 1.00 0.00 C ATOM 168 NZ LYS A 11 15.399 0.428 -4.173 1.00 0.00 N ATOM 0 H LYS A 11 13.268 -2.823 -1.052 1.00 0.00 H new ATOM 0 HA LYS A 11 14.171 -5.560 -0.795 1.00 0.00 H new ATOM 0 HB2 LYS A 11 15.903 -4.966 -2.285 1.00 0.00 H new ATOM 0 HB3 LYS A 11 14.437 -4.216 -2.883 1.00 0.00 H new ATOM 0 HG2 LYS A 11 15.892 -2.337 -1.196 1.00 0.00 H new ATOM 0 HG3 LYS A 11 16.958 -2.992 -2.423 1.00 0.00 H new ATOM 0 HD2 LYS A 11 15.154 -2.411 -4.147 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.313 -1.555 -2.869 1.00 0.00 H new ATOM 0 HE2 LYS A 11 16.540 -0.241 -2.529 1.00 0.00 H new ATOM 0 HE3 LYS A 11 17.029 -0.908 -4.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.872 0.664 -5.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.436 0.089 -4.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 15.352 1.276 -3.573 1.00 0.00 H new ATOM 182 N THR A 12 15.167 -3.408 1.342 1.00 0.00 N ATOM 183 CA THR A 12 16.010 -3.175 2.518 1.00 0.00 C ATOM 184 C THR A 12 15.196 -2.918 3.794 1.00 0.00 C ATOM 185 O THR A 12 15.770 -2.924 4.888 1.00 0.00 O ATOM 186 CB THR A 12 16.939 -1.964 2.259 1.00 0.00 C ATOM 187 OG1 THR A 12 17.254 -1.767 0.895 1.00 0.00 O ATOM 188 CG2 THR A 12 18.270 -2.079 3.004 1.00 0.00 C ATOM 0 H THR A 12 14.380 -2.763 1.270 1.00 0.00 H new ATOM 0 HA THR A 12 16.591 -4.084 2.677 1.00 0.00 H new ATOM 0 HB THR A 12 16.358 -1.118 2.625 1.00 0.00 H new ATOM 0 HG1 THR A 12 17.841 -0.987 0.804 1.00 0.00 H new ATOM 0 HG21 THR A 12 18.884 -1.205 2.788 1.00 0.00 H new ATOM 0 HG22 THR A 12 18.083 -2.136 4.076 1.00 0.00 H new ATOM 0 HG23 THR A 12 18.792 -2.979 2.679 1.00 0.00 H new ATOM 196 N LEU A 13 13.908 -2.579 3.679 1.00 0.00 N ATOM 197 CA LEU A 13 13.030 -2.306 4.808 1.00 0.00 C ATOM 198 C LEU A 13 11.601 -2.726 4.496 1.00 0.00 C ATOM 199 O LEU A 13 11.264 -2.981 3.338 1.00 0.00 O ATOM 200 CB LEU A 13 13.127 -0.821 5.237 1.00 0.00 C ATOM 201 CG LEU A 13 12.525 0.285 4.335 1.00 0.00 C ATOM 202 CD1 LEU A 13 13.036 0.258 2.888 1.00 0.00 C ATOM 203 CD2 LEU A 13 10.993 0.329 4.335 1.00 0.00 C ATOM 0 H LEU A 13 13.442 -2.486 2.776 1.00 0.00 H new ATOM 0 HA LEU A 13 13.360 -2.904 5.657 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.655 -0.734 6.216 1.00 0.00 H new ATOM 0 HB3 LEU A 13 14.184 -0.590 5.372 1.00 0.00 H new ATOM 0 HG LEU A 13 12.887 1.200 4.804 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.567 1.063 2.322 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.118 0.392 2.882 1.00 0.00 H new ATOM 0 HD13 LEU A 13 12.786 -0.700 2.432 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.652 1.130 3.679 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.602 -0.624 3.978 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.634 0.512 5.348 1.00 0.00 H new ATOM 215 N LYS A 14 10.753 -2.763 5.525 1.00 0.00 N ATOM 216 CA LYS A 14 9.334 -3.101 5.434 1.00 0.00 C ATOM 217 C LYS A 14 8.545 -2.088 6.262 1.00 0.00 C ATOM 218 O LYS A 14 9.142 -1.321 7.022 1.00 0.00 O ATOM 219 CB LYS A 14 9.053 -4.559 5.850 1.00 0.00 C ATOM 220 CG LYS A 14 9.811 -5.553 4.953 1.00 0.00 C ATOM 221 CD LYS A 14 9.222 -6.968 4.991 1.00 0.00 C ATOM 222 CE LYS A 14 10.166 -7.882 4.203 1.00 0.00 C ATOM 223 NZ LYS A 14 9.549 -9.154 3.782 1.00 0.00 N ATOM 0 H LYS A 14 11.047 -2.551 6.478 1.00 0.00 H new ATOM 0 HA LYS A 14 9.010 -3.040 4.395 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.348 -4.706 6.889 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.983 -4.756 5.791 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.799 -5.188 3.926 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.855 -5.592 5.265 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.123 -7.314 6.020 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.224 -6.979 4.554 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.518 -7.350 3.319 1.00 0.00 H new ATOM 0 HE3 LYS A 14 11.042 -8.099 4.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.271 -9.762 3.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.146 -9.636 4.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.794 -8.962 3.092 1.00 0.00 H new ATOM 237 N GLY A 15 7.229 -2.024 6.100 1.00 0.00 N ATOM 238 CA GLY A 15 6.371 -1.104 6.832 1.00 0.00 C ATOM 239 C GLY A 15 4.945 -1.635 6.848 1.00 0.00 C ATOM 240 O GLY A 15 4.590 -2.496 6.039 1.00 0.00 O ATOM 0 H GLY A 15 6.721 -2.620 5.446 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.736 -0.984 7.852 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.397 -0.119 6.367 1.00 0.00 H new ATOM 244 N GLU A 16 4.106 -1.113 7.741 1.00 0.00 N ATOM 245 CA GLU A 16 2.718 -1.535 7.873 1.00 0.00 C ATOM 246 C GLU A 16 1.900 -0.337 8.359 1.00 0.00 C ATOM 247 O GLU A 16 2.157 0.188 9.445 1.00 0.00 O ATOM 248 CB GLU A 16 2.637 -2.720 8.857 1.00 0.00 C ATOM 249 CG GLU A 16 1.234 -3.338 8.872 1.00 0.00 C ATOM 250 CD GLU A 16 0.954 -4.171 10.127 1.00 0.00 C ATOM 251 OE1 GLU A 16 0.957 -3.620 11.253 1.00 0.00 O ATOM 252 OE2 GLU A 16 0.569 -5.354 9.992 1.00 0.00 O ATOM 0 H GLU A 16 4.375 -0.380 8.397 1.00 0.00 H new ATOM 0 HA GLU A 16 2.314 -1.871 6.918 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.368 -3.479 8.577 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.898 -2.381 9.860 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.493 -2.542 8.799 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.112 -3.968 7.991 1.00 0.00 H new ATOM 259 N THR A 17 0.914 0.093 7.577 1.00 0.00 N ATOM 260 CA THR A 17 0.027 1.221 7.866 1.00 0.00 C ATOM 261 C THR A 17 -1.399 0.854 7.406 1.00 0.00 C ATOM 262 O THR A 17 -1.618 -0.242 6.877 1.00 0.00 O ATOM 263 CB THR A 17 0.601 2.497 7.202 1.00 0.00 C ATOM 264 OG1 THR A 17 1.123 2.241 5.909 1.00 0.00 O ATOM 265 CG2 THR A 17 1.738 3.121 8.019 1.00 0.00 C ATOM 0 H THR A 17 0.700 -0.353 6.685 1.00 0.00 H new ATOM 0 HA THR A 17 -0.033 1.434 8.933 1.00 0.00 H new ATOM 0 HB THR A 17 -0.246 3.181 7.145 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.004 2.662 5.823 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.105 4.012 7.510 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.368 3.394 9.007 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.550 2.401 8.121 1.00 0.00 H new ATOM 273 N THR A 18 -2.415 1.693 7.634 1.00 0.00 N ATOM 274 CA THR A 18 -3.779 1.395 7.196 1.00 0.00 C ATOM 275 C THR A 18 -4.599 2.692 7.108 1.00 0.00 C ATOM 276 O THR A 18 -4.432 3.612 7.912 1.00 0.00 O ATOM 277 CB THR A 18 -4.380 0.316 8.129 1.00 0.00 C ATOM 278 OG1 THR A 18 -5.703 -0.007 7.761 1.00 0.00 O ATOM 279 CG2 THR A 18 -4.320 0.648 9.629 1.00 0.00 C ATOM 0 H THR A 18 -2.316 2.584 8.120 1.00 0.00 H new ATOM 0 HA THR A 18 -3.791 0.977 6.189 1.00 0.00 H new ATOM 0 HB THR A 18 -3.734 -0.550 7.987 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.053 -0.692 8.368 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.765 -0.167 10.200 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.281 0.778 9.932 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.872 1.568 9.820 1.00 0.00 H new ATOM 287 N THR A 19 -5.378 2.839 6.034 1.00 0.00 N ATOM 288 CA THR A 19 -6.269 3.958 5.729 1.00 0.00 C ATOM 289 C THR A 19 -7.464 3.435 4.909 1.00 0.00 C ATOM 290 O THR A 19 -7.271 2.537 4.081 1.00 0.00 O ATOM 291 CB THR A 19 -5.492 5.118 5.088 1.00 0.00 C ATOM 292 OG1 THR A 19 -4.510 5.593 5.986 1.00 0.00 O ATOM 293 CG2 THR A 19 -6.377 6.315 4.745 1.00 0.00 C ATOM 0 H THR A 19 -5.404 2.128 5.303 1.00 0.00 H new ATOM 0 HA THR A 19 -6.686 4.388 6.640 1.00 0.00 H new ATOM 0 HB THR A 19 -5.061 4.715 4.172 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.640 5.208 5.752 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.769 7.100 4.296 1.00 0.00 H new ATOM 0 HG22 THR A 19 -7.149 6.006 4.041 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.845 6.694 5.654 1.00 0.00 H new ATOM 301 N GLU A 20 -8.690 3.910 5.140 1.00 0.00 N ATOM 302 CA GLU A 20 -9.856 3.463 4.377 1.00 0.00 C ATOM 303 C GLU A 20 -10.010 4.319 3.111 1.00 0.00 C ATOM 304 O GLU A 20 -9.578 5.477 3.068 1.00 0.00 O ATOM 305 CB GLU A 20 -11.112 3.420 5.264 1.00 0.00 C ATOM 306 CG GLU A 20 -11.475 4.720 5.996 1.00 0.00 C ATOM 307 CD GLU A 20 -12.377 4.396 7.186 1.00 0.00 C ATOM 308 OE1 GLU A 20 -11.843 4.080 8.271 1.00 0.00 O ATOM 309 OE2 GLU A 20 -13.623 4.390 7.044 1.00 0.00 O ATOM 0 H GLU A 20 -8.901 4.608 5.853 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.708 2.437 4.040 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.959 3.130 4.643 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.978 2.635 6.008 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.570 5.223 6.337 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -11.983 5.404 5.316 1.00 0.00 H new ATOM 316 N ALA A 21 -10.553 3.725 2.045 1.00 0.00 N ATOM 317 CA ALA A 21 -10.759 4.354 0.749 1.00 0.00 C ATOM 318 C ALA A 21 -11.917 3.703 -0.012 1.00 0.00 C ATOM 319 O ALA A 21 -12.275 2.557 0.263 1.00 0.00 O ATOM 320 CB ALA A 21 -9.481 4.189 -0.071 1.00 0.00 C ATOM 0 H ALA A 21 -10.871 2.756 2.068 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.001 5.405 0.905 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.613 4.654 -1.048 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.651 4.667 0.449 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.266 3.128 -0.200 1.00 0.00 H new ATOM 326 N VAL A 22 -12.469 4.414 -1.000 1.00 0.00 N ATOM 327 CA VAL A 22 -13.570 3.912 -1.813 1.00 0.00 C ATOM 328 C VAL A 22 -13.068 2.800 -2.743 1.00 0.00 C ATOM 329 O VAL A 22 -13.705 1.749 -2.838 1.00 0.00 O ATOM 330 CB VAL A 22 -14.287 5.073 -2.542 1.00 0.00 C ATOM 331 CG1 VAL A 22 -13.447 5.769 -3.622 1.00 0.00 C ATOM 332 CG2 VAL A 22 -15.622 4.618 -3.145 1.00 0.00 C ATOM 0 H VAL A 22 -12.162 5.353 -1.255 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.329 3.458 -1.176 1.00 0.00 H new ATOM 0 HB VAL A 22 -14.462 5.814 -1.762 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -14.031 6.568 -4.078 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.548 6.189 -3.170 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -13.164 5.045 -4.386 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -16.099 5.459 -3.649 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -15.443 3.818 -3.863 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -16.274 4.254 -2.351 1.00 0.00 H new ATOM 342 N ASP A 23 -11.910 2.990 -3.376 1.00 0.00 N ATOM 343 CA ASP A 23 -11.295 2.049 -4.306 1.00 0.00 C ATOM 344 C ASP A 23 -9.797 1.990 -4.046 1.00 0.00 C ATOM 345 O ASP A 23 -9.238 2.874 -3.385 1.00 0.00 O ATOM 346 CB ASP A 23 -11.568 2.487 -5.758 1.00 0.00 C ATOM 347 CG ASP A 23 -12.681 1.662 -6.395 1.00 0.00 C ATOM 348 OD1 ASP A 23 -12.447 0.474 -6.710 1.00 0.00 O ATOM 349 OD2 ASP A 23 -13.797 2.194 -6.591 1.00 0.00 O ATOM 0 H ASP A 23 -11.355 3.837 -3.249 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.724 1.058 -4.157 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -11.842 3.542 -5.775 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -10.656 2.385 -6.347 1.00 0.00 H new ATOM 354 N ALA A 24 -9.142 0.965 -4.595 1.00 0.00 N ATOM 355 CA ALA A 24 -7.711 0.763 -4.440 1.00 0.00 C ATOM 356 C ALA A 24 -6.936 1.973 -4.976 1.00 0.00 C ATOM 357 O ALA A 24 -6.062 2.470 -4.270 1.00 0.00 O ATOM 358 CB ALA A 24 -7.298 -0.555 -5.103 1.00 0.00 C ATOM 0 H ALA A 24 -9.598 0.250 -5.162 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.461 0.682 -3.382 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.224 -0.701 -4.984 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.831 -1.381 -4.633 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.544 -0.521 -6.164 1.00 0.00 H new ATOM 364 N ALA A 25 -7.291 2.515 -6.148 1.00 0.00 N ATOM 365 CA ALA A 25 -6.608 3.670 -6.730 1.00 0.00 C ATOM 366 C ALA A 25 -6.604 4.883 -5.787 1.00 0.00 C ATOM 367 O ALA A 25 -5.673 5.691 -5.831 1.00 0.00 O ATOM 368 CB ALA A 25 -7.239 4.031 -8.078 1.00 0.00 C ATOM 0 H ALA A 25 -8.061 2.163 -6.717 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.566 3.390 -6.886 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.723 4.892 -8.502 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.152 3.184 -8.759 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.292 4.274 -7.934 1.00 0.00 H new ATOM 374 N THR A 26 -7.640 5.058 -4.962 1.00 0.00 N ATOM 375 CA THR A 26 -7.712 6.164 -4.017 1.00 0.00 C ATOM 376 C THR A 26 -6.643 5.942 -2.937 1.00 0.00 C ATOM 377 O THR A 26 -5.868 6.853 -2.625 1.00 0.00 O ATOM 378 CB THR A 26 -9.127 6.218 -3.411 1.00 0.00 C ATOM 379 OG1 THR A 26 -10.115 6.399 -4.399 1.00 0.00 O ATOM 380 CG2 THR A 26 -9.316 7.310 -2.359 1.00 0.00 C ATOM 0 H THR A 26 -8.448 4.436 -4.934 1.00 0.00 H new ATOM 0 HA THR A 26 -7.522 7.118 -4.509 1.00 0.00 H new ATOM 0 HB THR A 26 -9.239 5.249 -2.924 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.709 7.133 -4.137 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.339 7.280 -1.983 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.621 7.146 -1.535 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.123 8.285 -2.807 1.00 0.00 H new ATOM 388 N ALA A 27 -6.599 4.728 -2.375 1.00 0.00 N ATOM 389 CA ALA A 27 -5.658 4.354 -1.333 1.00 0.00 C ATOM 390 C ALA A 27 -4.206 4.417 -1.806 1.00 0.00 C ATOM 391 O ALA A 27 -3.341 4.943 -1.103 1.00 0.00 O ATOM 392 CB ALA A 27 -5.986 2.944 -0.828 1.00 0.00 C ATOM 0 H ALA A 27 -7.230 3.972 -2.641 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.761 5.076 -0.523 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.280 2.664 -0.046 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.999 2.928 -0.425 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.913 2.236 -1.653 1.00 0.00 H new ATOM 398 N GLU A 28 -3.964 3.884 -3.001 1.00 0.00 N ATOM 399 CA GLU A 28 -2.686 3.799 -3.689 1.00 0.00 C ATOM 400 C GLU A 28 -2.042 5.181 -3.786 1.00 0.00 C ATOM 401 O GLU A 28 -0.907 5.378 -3.350 1.00 0.00 O ATOM 402 CB GLU A 28 -2.985 3.227 -5.084 1.00 0.00 C ATOM 403 CG GLU A 28 -1.779 3.075 -6.018 1.00 0.00 C ATOM 404 CD GLU A 28 -2.224 3.093 -7.483 1.00 0.00 C ATOM 405 OE1 GLU A 28 -3.173 2.355 -7.840 1.00 0.00 O ATOM 406 OE2 GLU A 28 -1.661 3.900 -8.262 1.00 0.00 O ATOM 0 H GLU A 28 -4.716 3.470 -3.552 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.983 3.162 -3.152 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.451 2.249 -4.962 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.718 3.871 -5.570 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.069 3.883 -5.838 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.260 2.141 -5.802 1.00 0.00 H new ATOM 413 N LYS A 29 -2.780 6.150 -4.336 1.00 0.00 N ATOM 414 CA LYS A 29 -2.300 7.514 -4.511 1.00 0.00 C ATOM 415 C LYS A 29 -1.869 8.132 -3.190 1.00 0.00 C ATOM 416 O LYS A 29 -0.767 8.683 -3.096 1.00 0.00 O ATOM 417 CB LYS A 29 -3.393 8.337 -5.211 1.00 0.00 C ATOM 418 CG LYS A 29 -2.963 9.792 -5.465 1.00 0.00 C ATOM 419 CD LYS A 29 -3.845 10.474 -6.516 1.00 0.00 C ATOM 420 CE LYS A 29 -5.289 10.622 -6.029 1.00 0.00 C ATOM 421 NZ LYS A 29 -6.151 11.231 -7.054 1.00 0.00 N ATOM 0 H LYS A 29 -3.732 6.004 -4.672 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.409 7.508 -5.139 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.646 7.865 -6.160 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.296 8.330 -4.600 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.011 10.353 -4.532 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.924 9.811 -5.795 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.437 11.457 -6.752 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -3.829 9.893 -7.438 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.683 9.643 -5.757 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.308 11.234 -5.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.121 11.315 -6.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.789 12.176 -7.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.153 10.634 -7.905 1.00 0.00 H new ATOM 435 N VAL A 30 -2.729 8.032 -2.185 1.00 0.00 N ATOM 436 CA VAL A 30 -2.503 8.574 -0.859 1.00 0.00 C ATOM 437 C VAL A 30 -1.249 7.966 -0.222 1.00 0.00 C ATOM 438 O VAL A 30 -0.305 8.694 0.092 1.00 0.00 O ATOM 439 CB VAL A 30 -3.801 8.338 -0.054 1.00 0.00 C ATOM 440 CG1 VAL A 30 -3.643 8.558 1.451 1.00 0.00 C ATOM 441 CG2 VAL A 30 -4.903 9.267 -0.586 1.00 0.00 C ATOM 0 H VAL A 30 -3.627 7.557 -2.276 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.297 9.644 -0.885 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.064 7.289 -0.190 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.596 8.374 1.948 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.891 7.872 1.842 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.329 9.585 1.638 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.821 9.104 -0.021 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.589 10.305 -0.476 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.083 9.052 -1.639 1.00 0.00 H new ATOM 451 N PHE A 31 -1.175 6.636 -0.095 1.00 0.00 N ATOM 452 CA PHE A 31 -0.016 6.015 0.535 1.00 0.00 C ATOM 453 C PHE A 31 1.273 6.080 -0.280 1.00 0.00 C ATOM 454 O PHE A 31 2.332 5.825 0.297 1.00 0.00 O ATOM 455 CB PHE A 31 -0.336 4.595 1.020 1.00 0.00 C ATOM 456 CG PHE A 31 -0.865 4.536 2.446 1.00 0.00 C ATOM 457 CD1 PHE A 31 -0.128 5.109 3.503 1.00 0.00 C ATOM 458 CD2 PHE A 31 -2.055 3.846 2.738 1.00 0.00 C ATOM 459 CE1 PHE A 31 -0.571 5.000 4.830 1.00 0.00 C ATOM 460 CE2 PHE A 31 -2.478 3.705 4.070 1.00 0.00 C ATOM 461 CZ PHE A 31 -1.746 4.290 5.117 1.00 0.00 C ATOM 0 H PHE A 31 -1.891 5.984 -0.415 1.00 0.00 H new ATOM 0 HA PHE A 31 0.198 6.630 1.409 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.072 4.150 0.351 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.566 3.986 0.952 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.789 5.638 3.289 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.644 3.424 1.937 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.009 5.462 5.628 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.373 3.142 4.291 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.086 4.193 6.137 1.00 0.00 H new ATOM 471 N LYS A 32 1.242 6.452 -1.567 1.00 0.00 N ATOM 472 CA LYS A 32 2.459 6.558 -2.381 1.00 0.00 C ATOM 473 C LYS A 32 3.452 7.512 -1.708 1.00 0.00 C ATOM 474 O LYS A 32 4.658 7.291 -1.773 1.00 0.00 O ATOM 475 CB LYS A 32 2.098 7.009 -3.804 1.00 0.00 C ATOM 476 CG LYS A 32 3.296 6.913 -4.755 1.00 0.00 C ATOM 477 CD LYS A 32 2.896 7.296 -6.183 1.00 0.00 C ATOM 478 CE LYS A 32 4.127 7.266 -7.089 1.00 0.00 C ATOM 479 NZ LYS A 32 3.850 7.828 -8.423 1.00 0.00 N ATOM 0 H LYS A 32 0.384 6.685 -2.067 1.00 0.00 H new ATOM 0 HA LYS A 32 2.940 5.583 -2.458 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.283 6.394 -4.184 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.736 8.037 -3.778 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.093 7.570 -4.408 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.693 5.898 -4.745 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.141 6.605 -6.557 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.450 8.291 -6.192 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.935 7.828 -6.620 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.473 6.238 -7.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.712 7.787 -9.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.097 7.277 -8.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.544 8.817 -8.326 1.00 0.00 H new ATOM 493 N GLN A 33 2.932 8.539 -1.029 1.00 0.00 N ATOM 494 CA GLN A 33 3.699 9.540 -0.307 1.00 0.00 C ATOM 495 C GLN A 33 4.609 8.849 0.716 1.00 0.00 C ATOM 496 O GLN A 33 5.830 9.008 0.682 1.00 0.00 O ATOM 497 CB GLN A 33 2.710 10.493 0.390 1.00 0.00 C ATOM 498 CG GLN A 33 1.902 11.334 -0.609 1.00 0.00 C ATOM 499 CD GLN A 33 0.834 12.211 0.036 1.00 0.00 C ATOM 500 OE1 GLN A 33 -0.324 12.208 -0.381 1.00 0.00 O ATOM 501 NE2 GLN A 33 1.188 13.013 1.028 1.00 0.00 N ATOM 0 H GLN A 33 1.926 8.695 -0.969 1.00 0.00 H new ATOM 0 HA GLN A 33 4.330 10.110 -0.989 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.026 9.913 1.009 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.259 11.156 1.058 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.587 11.969 -1.171 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.424 10.667 -1.326 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.150 13.010 1.368 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.499 13.634 1.452 1.00 0.00 H new ATOM 510 N TYR A 34 4.008 8.080 1.625 1.00 0.00 N ATOM 511 CA TYR A 34 4.701 7.348 2.677 1.00 0.00 C ATOM 512 C TYR A 34 5.596 6.261 2.084 1.00 0.00 C ATOM 513 O TYR A 34 6.705 6.072 2.574 1.00 0.00 O ATOM 514 CB TYR A 34 3.659 6.788 3.659 1.00 0.00 C ATOM 515 CG TYR A 34 3.958 5.424 4.250 1.00 0.00 C ATOM 516 CD1 TYR A 34 4.830 5.293 5.347 1.00 0.00 C ATOM 517 CD2 TYR A 34 3.358 4.280 3.692 1.00 0.00 C ATOM 518 CE1 TYR A 34 5.084 4.027 5.904 1.00 0.00 C ATOM 519 CE2 TYR A 34 3.597 3.018 4.256 1.00 0.00 C ATOM 520 CZ TYR A 34 4.450 2.886 5.369 1.00 0.00 C ATOM 521 OH TYR A 34 4.641 1.662 5.926 1.00 0.00 O ATOM 0 H TYR A 34 2.997 7.948 1.647 1.00 0.00 H new ATOM 0 HA TYR A 34 5.363 8.017 3.227 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.544 7.498 4.478 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.699 6.736 3.146 1.00 0.00 H new ATOM 0 HD1 TYR A 34 5.306 6.169 5.763 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.714 4.374 2.830 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.762 3.929 6.739 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.124 2.143 3.835 1.00 0.00 H new ATOM 0 HH TYR A 34 4.126 0.992 5.429 1.00 0.00 H new ATOM 531 N ALA A 35 5.150 5.564 1.033 1.00 0.00 N ATOM 532 CA ALA A 35 5.934 4.512 0.398 1.00 0.00 C ATOM 533 C ALA A 35 7.283 5.068 -0.059 1.00 0.00 C ATOM 534 O ALA A 35 8.333 4.532 0.304 1.00 0.00 O ATOM 535 CB ALA A 35 5.156 3.917 -0.778 1.00 0.00 C ATOM 0 H ALA A 35 4.237 5.717 0.604 1.00 0.00 H new ATOM 0 HA ALA A 35 6.121 3.717 1.119 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.749 3.132 -1.247 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.217 3.496 -0.418 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.947 4.698 -1.508 1.00 0.00 H new ATOM 541 N ASN A 36 7.246 6.164 -0.822 1.00 0.00 N ATOM 542 CA ASN A 36 8.445 6.809 -1.329 1.00 0.00 C ATOM 543 C ASN A 36 9.308 7.336 -0.187 1.00 0.00 C ATOM 544 O ASN A 36 10.518 7.129 -0.187 1.00 0.00 O ATOM 545 CB ASN A 36 8.075 7.962 -2.267 1.00 0.00 C ATOM 546 CG ASN A 36 9.339 8.549 -2.870 1.00 0.00 C ATOM 547 OD1 ASN A 36 9.812 9.603 -2.445 1.00 0.00 O ATOM 548 ND2 ASN A 36 9.935 7.851 -3.820 1.00 0.00 N ATOM 0 H ASN A 36 6.380 6.624 -1.102 1.00 0.00 H new ATOM 0 HA ASN A 36 9.016 6.063 -1.882 1.00 0.00 H new ATOM 0 HB2 ASN A 36 7.414 7.605 -3.057 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.530 8.730 -1.719 1.00 0.00 H new ATOM 0 HD21 ASN A 36 10.812 8.182 -4.222 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.518 6.981 -4.151 1.00 0.00 H new ATOM 555 N ASP A 37 8.690 8.002 0.791 1.00 0.00 N ATOM 556 CA ASP A 37 9.382 8.571 1.948 1.00 0.00 C ATOM 557 C ASP A 37 10.108 7.512 2.772 1.00 0.00 C ATOM 558 O ASP A 37 11.204 7.757 3.281 1.00 0.00 O ATOM 559 CB ASP A 37 8.393 9.342 2.818 1.00 0.00 C ATOM 560 CG ASP A 37 9.090 9.935 4.038 1.00 0.00 C ATOM 561 OD1 ASP A 37 9.665 11.039 3.905 1.00 0.00 O ATOM 562 OD2 ASP A 37 9.030 9.317 5.125 1.00 0.00 O ATOM 0 H ASP A 37 7.683 8.163 0.801 1.00 0.00 H new ATOM 0 HA ASP A 37 10.144 9.253 1.571 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.933 10.139 2.234 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.590 8.678 3.139 1.00 0.00 H new ATOM 567 N ASN A 38 9.522 6.321 2.887 1.00 0.00 N ATOM 568 CA ASN A 38 10.095 5.210 3.635 1.00 0.00 C ATOM 569 C ASN A 38 11.142 4.451 2.808 1.00 0.00 C ATOM 570 O ASN A 38 11.788 3.543 3.331 1.00 0.00 O ATOM 571 CB ASN A 38 8.965 4.314 4.163 1.00 0.00 C ATOM 572 CG ASN A 38 9.381 3.483 5.372 1.00 0.00 C ATOM 573 OD1 ASN A 38 10.238 3.873 6.160 1.00 0.00 O ATOM 574 ND2 ASN A 38 8.728 2.356 5.611 1.00 0.00 N ATOM 0 H ASN A 38 8.624 6.101 2.456 1.00 0.00 H new ATOM 0 HA ASN A 38 10.639 5.594 4.498 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.111 4.936 4.432 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.635 3.647 3.367 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.937 1.813 6.449 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.016 2.031 4.957 1.00 0.00 H new ATOM 581 N GLY A 39 11.325 4.797 1.529 1.00 0.00 N ATOM 582 CA GLY A 39 12.314 4.177 0.660 1.00 0.00 C ATOM 583 C GLY A 39 11.859 2.939 -0.104 1.00 0.00 C ATOM 584 O GLY A 39 12.692 2.057 -0.311 1.00 0.00 O ATOM 0 H GLY A 39 10.780 5.526 1.069 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.649 4.921 -0.063 1.00 0.00 H new ATOM 0 HA3 GLY A 39 13.180 3.907 1.265 1.00 0.00 H new ATOM 588 N VAL A 40 10.591 2.815 -0.512 1.00 0.00 N ATOM 589 CA VAL A 40 10.128 1.639 -1.257 1.00 0.00 C ATOM 590 C VAL A 40 9.466 2.063 -2.567 1.00 0.00 C ATOM 591 O VAL A 40 8.834 3.123 -2.658 1.00 0.00 O ATOM 592 CB VAL A 40 9.216 0.754 -0.376 1.00 0.00 C ATOM 593 CG1 VAL A 40 8.791 -0.540 -1.092 1.00 0.00 C ATOM 594 CG2 VAL A 40 9.927 0.366 0.932 1.00 0.00 C ATOM 0 H VAL A 40 9.868 3.514 -0.339 1.00 0.00 H new ATOM 0 HA VAL A 40 10.987 1.024 -1.524 1.00 0.00 H new ATOM 0 HB VAL A 40 8.328 1.350 -0.164 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.152 -1.127 -0.433 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.243 -0.290 -2.000 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.677 -1.120 -1.351 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.266 -0.256 1.535 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.836 -0.189 0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.183 1.268 1.488 1.00 0.00 H new ATOM 604 N ASP A 41 9.629 1.229 -3.595 1.00 0.00 N ATOM 605 CA ASP A 41 9.075 1.412 -4.926 1.00 0.00 C ATOM 606 C ASP A 41 8.986 0.025 -5.550 1.00 0.00 C ATOM 607 O ASP A 41 9.997 -0.517 -5.979 1.00 0.00 O ATOM 608 CB ASP A 41 9.955 2.358 -5.758 1.00 0.00 C ATOM 609 CG ASP A 41 9.112 3.023 -6.835 1.00 0.00 C ATOM 610 OD1 ASP A 41 8.125 3.685 -6.442 1.00 0.00 O ATOM 611 OD2 ASP A 41 9.491 3.002 -8.024 1.00 0.00 O ATOM 0 H ASP A 41 10.176 0.372 -3.513 1.00 0.00 H new ATOM 0 HA ASP A 41 8.089 1.875 -4.887 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.403 3.115 -5.114 1.00 0.00 H new ATOM 0 HB3 ASP A 41 10.774 1.802 -6.214 1.00 0.00 H new ATOM 616 N GLY A 42 7.812 -0.601 -5.529 1.00 0.00 N ATOM 617 CA GLY A 42 7.622 -1.940 -6.072 1.00 0.00 C ATOM 618 C GLY A 42 6.268 -2.079 -6.738 1.00 0.00 C ATOM 619 O GLY A 42 5.529 -1.102 -6.828 1.00 0.00 O ATOM 0 H GLY A 42 6.965 -0.192 -5.134 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.409 -2.156 -6.795 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.713 -2.675 -5.272 1.00 0.00 H new ATOM 623 N GLU A 43 5.949 -3.285 -7.206 1.00 0.00 N ATOM 624 CA GLU A 43 4.692 -3.564 -7.885 1.00 0.00 C ATOM 625 C GLU A 43 3.529 -3.500 -6.890 1.00 0.00 C ATOM 626 O GLU A 43 3.364 -4.396 -6.054 1.00 0.00 O ATOM 627 CB GLU A 43 4.779 -4.914 -8.617 1.00 0.00 C ATOM 628 CG GLU A 43 3.687 -5.080 -9.686 1.00 0.00 C ATOM 629 CD GLU A 43 3.853 -4.069 -10.828 1.00 0.00 C ATOM 630 OE1 GLU A 43 4.762 -4.257 -11.677 1.00 0.00 O ATOM 631 OE2 GLU A 43 3.114 -3.057 -10.858 1.00 0.00 O ATOM 0 H GLU A 43 6.560 -4.097 -7.123 1.00 0.00 H new ATOM 0 HA GLU A 43 4.502 -2.803 -8.641 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.758 -5.006 -9.087 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.697 -5.723 -7.891 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.722 -6.092 -10.088 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.706 -4.953 -9.227 1.00 0.00 H new ATOM 638 N TRP A 44 2.744 -2.424 -6.962 1.00 0.00 N ATOM 639 CA TRP A 44 1.588 -2.176 -6.113 1.00 0.00 C ATOM 640 C TRP A 44 0.506 -3.193 -6.464 1.00 0.00 C ATOM 641 O TRP A 44 -0.163 -3.047 -7.488 1.00 0.00 O ATOM 642 CB TRP A 44 1.085 -0.737 -6.324 1.00 0.00 C ATOM 643 CG TRP A 44 1.957 0.350 -5.775 1.00 0.00 C ATOM 644 CD1 TRP A 44 3.149 0.735 -6.281 1.00 0.00 C ATOM 645 CD2 TRP A 44 1.732 1.194 -4.604 1.00 0.00 C ATOM 646 NE1 TRP A 44 3.701 1.706 -5.475 1.00 0.00 N ATOM 647 CE2 TRP A 44 2.890 2.001 -4.407 1.00 0.00 C ATOM 648 CE3 TRP A 44 0.679 1.360 -3.677 1.00 0.00 C ATOM 649 CZ2 TRP A 44 3.018 2.899 -3.341 1.00 0.00 C ATOM 650 CZ3 TRP A 44 0.797 2.262 -2.601 1.00 0.00 C ATOM 651 CH2 TRP A 44 1.967 3.015 -2.418 1.00 0.00 C ATOM 0 H TRP A 44 2.905 -1.678 -7.638 1.00 0.00 H new ATOM 0 HA TRP A 44 1.855 -2.285 -5.062 1.00 0.00 H new ATOM 0 HB2 TRP A 44 0.960 -0.570 -7.394 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.098 -0.648 -5.870 1.00 0.00 H new ATOM 0 HD1 TRP A 44 3.600 0.342 -7.180 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.602 2.151 -5.650 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -0.229 0.788 -3.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 3.912 3.494 -3.230 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.024 2.375 -1.908 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.058 3.680 -1.572 1.00 0.00 H new ATOM 662 N THR A 45 0.308 -4.212 -5.627 1.00 0.00 N ATOM 663 CA THR A 45 -0.697 -5.239 -5.871 1.00 0.00 C ATOM 664 C THR A 45 -1.684 -5.229 -4.702 1.00 0.00 C ATOM 665 O THR A 45 -1.308 -5.414 -3.540 1.00 0.00 O ATOM 666 CB THR A 45 0.023 -6.574 -6.101 1.00 0.00 C ATOM 667 OG1 THR A 45 0.998 -6.404 -7.120 1.00 0.00 O ATOM 668 CG2 THR A 45 -0.941 -7.677 -6.540 1.00 0.00 C ATOM 0 H THR A 45 0.838 -4.346 -4.766 1.00 0.00 H new ATOM 0 HA THR A 45 -1.287 -5.056 -6.769 1.00 0.00 H new ATOM 0 HB THR A 45 0.480 -6.871 -5.157 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.464 -7.253 -7.272 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.388 -8.604 -6.691 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.697 -7.827 -5.770 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.425 -7.387 -7.472 1.00 0.00 H new ATOM 676 N TYR A 46 -2.954 -4.971 -5.018 1.00 0.00 N ATOM 677 CA TYR A 46 -4.056 -4.902 -4.072 1.00 0.00 C ATOM 678 C TYR A 46 -4.773 -6.244 -3.984 1.00 0.00 C ATOM 679 O TYR A 46 -4.788 -7.046 -4.922 1.00 0.00 O ATOM 680 CB TYR A 46 -5.037 -3.763 -4.402 1.00 0.00 C ATOM 681 CG TYR A 46 -5.921 -4.020 -5.599 1.00 0.00 C ATOM 682 CD1 TYR A 46 -7.132 -4.716 -5.441 1.00 0.00 C ATOM 683 CD2 TYR A 46 -5.508 -3.615 -6.878 1.00 0.00 C ATOM 684 CE1 TYR A 46 -7.888 -5.078 -6.566 1.00 0.00 C ATOM 685 CE2 TYR A 46 -6.266 -3.965 -8.006 1.00 0.00 C ATOM 686 CZ TYR A 46 -7.439 -4.736 -7.861 1.00 0.00 C ATOM 687 OH TYR A 46 -8.163 -5.093 -8.953 1.00 0.00 O ATOM 0 H TYR A 46 -3.249 -4.798 -5.979 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.632 -4.674 -3.094 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.669 -3.583 -3.532 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.467 -2.850 -4.577 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -7.481 -4.973 -4.452 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.606 -3.033 -6.994 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -8.815 -5.619 -6.442 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.951 -3.643 -8.988 1.00 0.00 H new ATOM 0 HH TYR A 46 -7.711 -4.777 -9.763 1.00 0.00 H new ATOM 697 N ASP A 47 -5.334 -6.504 -2.814 1.00 0.00 N ATOM 698 CA ASP A 47 -6.091 -7.691 -2.503 1.00 0.00 C ATOM 699 C ASP A 47 -7.301 -7.235 -1.710 1.00 0.00 C ATOM 700 O ASP A 47 -7.289 -7.179 -0.479 1.00 0.00 O ATOM 701 CB ASP A 47 -5.249 -8.707 -1.742 1.00 0.00 C ATOM 702 CG ASP A 47 -5.967 -10.036 -1.840 1.00 0.00 C ATOM 703 OD1 ASP A 47 -5.921 -10.605 -2.957 1.00 0.00 O ATOM 704 OD2 ASP A 47 -6.583 -10.500 -0.858 1.00 0.00 O ATOM 0 H ASP A 47 -5.267 -5.861 -2.025 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.406 -8.205 -3.411 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.249 -8.776 -2.169 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.131 -8.408 -0.701 1.00 0.00 H new ATOM 709 N ASP A 48 -8.345 -6.795 -2.414 1.00 0.00 N ATOM 710 CA ASP A 48 -9.551 -6.330 -1.738 1.00 0.00 C ATOM 711 C ASP A 48 -10.226 -7.473 -0.975 1.00 0.00 C ATOM 712 O ASP A 48 -10.961 -7.192 -0.028 1.00 0.00 O ATOM 713 CB ASP A 48 -10.511 -5.610 -2.689 1.00 0.00 C ATOM 714 CG ASP A 48 -11.414 -6.558 -3.468 1.00 0.00 C ATOM 715 OD1 ASP A 48 -10.963 -7.108 -4.497 1.00 0.00 O ATOM 716 OD2 ASP A 48 -12.582 -6.735 -3.068 1.00 0.00 O ATOM 0 H ASP A 48 -8.379 -6.752 -3.433 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.249 -5.584 -1.003 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.130 -4.920 -2.115 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.933 -5.011 -3.392 1.00 0.00 H new ATOM 721 N ALA A 49 -9.960 -8.739 -1.326 1.00 0.00 N ATOM 722 CA ALA A 49 -10.531 -9.889 -0.641 1.00 0.00 C ATOM 723 C ALA A 49 -10.008 -9.939 0.794 1.00 0.00 C ATOM 724 O ALA A 49 -10.799 -9.844 1.736 1.00 0.00 O ATOM 725 CB ALA A 49 -10.173 -11.177 -1.373 1.00 0.00 C ATOM 0 H ALA A 49 -9.340 -8.987 -2.097 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.617 -9.791 -0.628 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -10.608 -12.027 -0.847 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -10.566 -11.139 -2.389 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.089 -11.287 -1.407 1.00 0.00 H new ATOM 731 N THR A 50 -8.690 -10.031 0.975 1.00 0.00 N ATOM 732 CA THR A 50 -8.050 -10.076 2.287 1.00 0.00 C ATOM 733 C THR A 50 -7.864 -8.659 2.864 1.00 0.00 C ATOM 734 O THR A 50 -7.385 -8.498 3.988 1.00 0.00 O ATOM 735 CB THR A 50 -6.742 -10.888 2.223 1.00 0.00 C ATOM 736 OG1 THR A 50 -6.846 -11.957 1.300 1.00 0.00 O ATOM 737 CG2 THR A 50 -6.417 -11.512 3.588 1.00 0.00 C ATOM 0 H THR A 50 -8.028 -10.077 0.200 1.00 0.00 H new ATOM 0 HA THR A 50 -8.705 -10.598 2.984 1.00 0.00 H new ATOM 0 HB THR A 50 -5.961 -10.191 1.917 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.613 -11.638 0.403 1.00 0.00 H new ATOM 0 HG21 THR A 50 -5.489 -12.080 3.517 1.00 0.00 H new ATOM 0 HG22 THR A 50 -6.303 -10.723 4.331 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.228 -12.177 3.886 1.00 0.00 H new ATOM 745 N LYS A 51 -8.337 -7.622 2.159 1.00 0.00 N ATOM 746 CA LYS A 51 -8.259 -6.217 2.545 1.00 0.00 C ATOM 747 C LYS A 51 -6.812 -5.823 2.833 1.00 0.00 C ATOM 748 O LYS A 51 -6.507 -5.219 3.866 1.00 0.00 O ATOM 749 CB LYS A 51 -9.240 -5.932 3.695 1.00 0.00 C ATOM 750 CG LYS A 51 -10.697 -6.039 3.234 1.00 0.00 C ATOM 751 CD LYS A 51 -11.651 -5.661 4.372 1.00 0.00 C ATOM 752 CE LYS A 51 -13.118 -5.596 3.934 1.00 0.00 C ATOM 753 NZ LYS A 51 -13.610 -6.870 3.375 1.00 0.00 N ATOM 0 H LYS A 51 -8.806 -7.752 1.262 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.574 -5.579 1.720 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.063 -6.636 4.508 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.056 -4.934 4.092 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.863 -5.383 2.380 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.905 -7.056 2.900 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.551 -6.388 5.178 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.357 -4.693 4.778 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.735 -5.319 4.789 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.234 -4.809 3.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -14.607 -6.765 3.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.043 -7.125 2.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.528 -7.619 4.092 1.00 0.00 H new ATOM 767 N THR A 52 -5.917 -6.132 1.907 1.00 0.00 N ATOM 768 CA THR A 52 -4.490 -5.861 1.979 1.00 0.00 C ATOM 769 C THR A 52 -4.036 -5.220 0.664 1.00 0.00 C ATOM 770 O THR A 52 -4.687 -5.374 -0.368 1.00 0.00 O ATOM 771 CB THR A 52 -3.741 -7.169 2.318 1.00 0.00 C ATOM 772 OG1 THR A 52 -4.343 -8.294 1.710 1.00 0.00 O ATOM 773 CG2 THR A 52 -3.771 -7.447 3.823 1.00 0.00 C ATOM 0 H THR A 52 -6.180 -6.602 1.041 1.00 0.00 H new ATOM 0 HA THR A 52 -4.259 -5.152 2.774 1.00 0.00 H new ATOM 0 HB THR A 52 -2.724 -7.026 1.953 1.00 0.00 H new ATOM 0 HG1 THR A 52 -3.840 -9.102 1.946 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.236 -8.374 4.033 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.293 -6.624 4.355 1.00 0.00 H new ATOM 0 HG23 THR A 52 -4.805 -7.542 4.155 1.00 0.00 H new ATOM 781 N PHE A 53 -2.953 -4.447 0.690 1.00 0.00 N ATOM 782 CA PHE A 53 -2.396 -3.789 -0.479 1.00 0.00 C ATOM 783 C PHE A 53 -0.893 -3.743 -0.221 1.00 0.00 C ATOM 784 O PHE A 53 -0.407 -2.909 0.552 1.00 0.00 O ATOM 785 CB PHE A 53 -3.070 -2.421 -0.662 1.00 0.00 C ATOM 786 CG PHE A 53 -3.060 -1.826 -2.059 1.00 0.00 C ATOM 787 CD1 PHE A 53 -2.108 -2.194 -3.032 1.00 0.00 C ATOM 788 CD2 PHE A 53 -4.024 -0.851 -2.375 1.00 0.00 C ATOM 789 CE1 PHE A 53 -2.120 -1.587 -4.298 1.00 0.00 C ATOM 790 CE2 PHE A 53 -3.990 -0.207 -3.620 1.00 0.00 C ATOM 791 CZ PHE A 53 -3.046 -0.575 -4.590 1.00 0.00 C ATOM 0 H PHE A 53 -2.430 -4.259 1.545 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.576 -4.305 -1.422 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.107 -2.509 -0.339 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.586 -1.713 0.011 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.367 -2.945 -2.803 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.791 -0.598 -1.658 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.412 -1.901 -5.051 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.698 0.580 -3.834 1.00 0.00 H new ATOM 0 HZ PHE A 53 -3.032 -0.084 -5.552 1.00 0.00 H new ATOM 801 N THR A 54 -0.153 -4.638 -0.868 1.00 0.00 N ATOM 802 CA THR A 54 1.284 -4.768 -0.691 1.00 0.00 C ATOM 803 C THR A 54 2.093 -4.237 -1.875 1.00 0.00 C ATOM 804 O THR A 54 1.737 -4.441 -3.036 1.00 0.00 O ATOM 805 CB THR A 54 1.605 -6.234 -0.354 1.00 0.00 C ATOM 806 OG1 THR A 54 0.731 -6.687 0.672 1.00 0.00 O ATOM 807 CG2 THR A 54 3.046 -6.409 0.133 1.00 0.00 C ATOM 0 H THR A 54 -0.543 -5.301 -1.538 1.00 0.00 H new ATOM 0 HA THR A 54 1.592 -4.134 0.140 1.00 0.00 H new ATOM 0 HB THR A 54 1.474 -6.813 -1.268 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.934 -7.622 0.886 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.229 -7.459 0.359 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.735 -6.080 -0.645 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.201 -5.812 1.032 1.00 0.00 H new ATOM 815 N VAL A 55 3.159 -3.503 -1.554 1.00 0.00 N ATOM 816 CA VAL A 55 4.104 -2.917 -2.492 1.00 0.00 C ATOM 817 C VAL A 55 5.346 -3.793 -2.329 1.00 0.00 C ATOM 818 O VAL A 55 6.038 -3.651 -1.319 1.00 0.00 O ATOM 819 CB VAL A 55 4.370 -1.433 -2.154 1.00 0.00 C ATOM 820 CG1 VAL A 55 5.188 -0.766 -3.266 1.00 0.00 C ATOM 821 CG2 VAL A 55 3.067 -0.655 -1.935 1.00 0.00 C ATOM 0 H VAL A 55 3.394 -3.294 -0.584 1.00 0.00 H new ATOM 0 HA VAL A 55 3.748 -2.901 -3.522 1.00 0.00 H new ATOM 0 HB VAL A 55 4.937 -1.412 -1.223 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.365 0.279 -3.010 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.143 -1.280 -3.374 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.638 -0.821 -4.205 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.299 0.384 -1.700 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.462 -0.696 -2.841 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.513 -1.099 -1.108 1.00 0.00 H new ATOM 831 N THR A 56 5.592 -4.708 -3.268 1.00 0.00 N ATOM 832 CA THR A 56 6.721 -5.636 -3.241 1.00 0.00 C ATOM 833 C THR A 56 7.773 -5.191 -4.261 1.00 0.00 C ATOM 834 O THR A 56 7.517 -5.242 -5.469 1.00 0.00 O ATOM 835 CB THR A 56 6.176 -7.051 -3.477 1.00 0.00 C ATOM 836 OG1 THR A 56 5.147 -7.352 -2.553 1.00 0.00 O ATOM 837 CG2 THR A 56 7.224 -8.145 -3.322 1.00 0.00 C ATOM 0 H THR A 56 4.997 -4.826 -4.088 1.00 0.00 H new ATOM 0 HA THR A 56 7.228 -5.640 -2.276 1.00 0.00 H new ATOM 0 HB THR A 56 5.818 -7.041 -4.506 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.811 -8.257 -2.721 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.765 -9.117 -3.504 1.00 0.00 H new ATOM 0 HG22 THR A 56 8.028 -7.983 -4.040 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.630 -8.119 -2.311 1.00 0.00 H new ATOM 845 N GLU A 57 8.920 -4.695 -3.785 1.00 0.00 N ATOM 846 CA GLU A 57 10.034 -4.205 -4.598 1.00 0.00 C ATOM 847 C GLU A 57 11.054 -5.294 -4.883 1.00 0.00 C ATOM 848 O GLU A 57 11.546 -5.941 -3.931 1.00 0.00 O ATOM 849 CB GLU A 57 10.674 -2.997 -3.891 1.00 0.00 C ATOM 850 CG GLU A 57 11.878 -2.449 -4.671 1.00 0.00 C ATOM 851 CD GLU A 57 12.288 -1.010 -4.304 1.00 0.00 C ATOM 852 OE1 GLU A 57 12.013 -0.518 -3.175 1.00 0.00 O ATOM 853 OE2 GLU A 57 13.033 -0.390 -5.096 1.00 0.00 O ATOM 0 H GLU A 57 9.103 -4.622 -2.784 1.00 0.00 H new ATOM 0 HA GLU A 57 9.651 -3.892 -5.569 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.930 -2.210 -3.772 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.992 -3.289 -2.890 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.730 -3.108 -4.505 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.650 -2.486 -5.736 1.00 0.00 H new TER 860 GLU A 57