USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 863 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 91 ASN : amide:sc= -0.153 K(o=-0.15,f=-11!) USER MOD Set 1.2: A 93 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 5 LYS NZ :NH3+ -170:sc= 0.946 (180deg=0) USER MOD Set 2.2: A 24 GLN : amide:sc= 0.825 K(o=1.8,f=-2.3) USER MOD Set 3.1: A 13 THR OG1 : rot -67:sc= 0.586 USER MOD Set 3.2: A 18 THR OG1 : rot 180:sc= 0.538 USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0.662 K(o=0.66,f=-1) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 179:sc= 0.944 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 176:sc= 0.909 (180deg=0.897) USER MOD Single : A 36 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0231) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0258 K(o=-0.026,f=-1.4!) USER MOD Single : A 45 MET CE :methyl -166:sc= -0.0337 (180deg=-0.328) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HE2:sc= 0.23 K(o=0.23,f=-2.4!) USER MOD Single : A 65 SER OG : rot -39:sc= 0.873 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -175:sc= 0.94 (180deg=0.916) USER MOD Single : A 82 ASN : amide:sc= 0.33 K(o=0.33,f=-5!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.017 K(o=-0.017,f=-1.2!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 60:sc= 0.742 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.501! C(o=-0.5!,f=-8!) USER MOD ----------------------------------------------------------------- ATOM 60 N LYS A 5 13.393 8.689 1.364 1.00 0.00 N ATOM 61 CA LYS A 5 12.247 8.537 2.249 1.00 0.00 C ATOM 62 C LYS A 5 10.998 8.820 1.412 1.00 0.00 C ATOM 63 O LYS A 5 10.880 9.899 0.813 1.00 0.00 O ATOM 64 CB LYS A 5 12.333 9.478 3.452 1.00 0.00 C ATOM 65 CG LYS A 5 11.179 9.348 4.437 1.00 0.00 C ATOM 66 CD LYS A 5 11.293 10.367 5.561 1.00 0.00 C ATOM 67 CE LYS A 5 12.160 9.846 6.697 1.00 0.00 C ATOM 68 NZ LYS A 5 12.060 10.700 7.911 1.00 0.00 N ATOM 0 HA LYS A 5 12.217 7.528 2.660 1.00 0.00 H new ATOM 0 HB2 LYS A 5 13.268 9.289 3.980 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.373 10.506 3.092 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.233 9.486 3.913 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.167 8.342 4.856 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.717 11.293 5.173 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.299 10.606 5.940 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.860 8.828 6.944 1.00 0.00 H new ATOM 0 HE3 LYS A 5 13.199 9.802 6.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.786 10.413 8.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 12.206 11.696 7.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.118 10.589 8.337 1.00 0.00 H new ATOM 82 N VAL A 6 10.094 7.836 1.344 1.00 0.00 N ATOM 83 CA VAL A 6 8.747 8.016 0.780 1.00 0.00 C ATOM 84 C VAL A 6 7.710 7.765 1.882 1.00 0.00 C ATOM 85 O VAL A 6 7.889 6.877 2.706 1.00 0.00 O ATOM 86 CB VAL A 6 8.481 7.071 -0.407 1.00 0.00 C ATOM 87 CG1 VAL A 6 8.779 5.631 -0.018 1.00 0.00 C ATOM 88 CG2 VAL A 6 7.042 7.206 -0.883 1.00 0.00 C ATOM 0 H VAL A 6 10.274 6.889 1.679 1.00 0.00 H new ATOM 0 HA VAL A 6 8.671 9.036 0.404 1.00 0.00 H new ATOM 0 HB VAL A 6 9.143 7.352 -1.226 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.586 4.977 -0.868 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.825 5.543 0.277 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.141 5.340 0.816 1.00 0.00 H new ATOM 0 HG21 VAL A 6 6.871 6.531 -1.722 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.364 6.951 -0.069 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.858 8.233 -1.200 1.00 0.00 H new ATOM 98 N GLU A 7 6.624 8.545 1.886 1.00 0.00 N ATOM 99 CA GLU A 7 5.543 8.403 2.863 1.00 0.00 C ATOM 100 C GLU A 7 4.355 7.679 2.195 1.00 0.00 C ATOM 101 O GLU A 7 3.976 7.973 1.064 1.00 0.00 O ATOM 102 CB GLU A 7 5.114 9.768 3.406 1.00 0.00 C ATOM 103 CG GLU A 7 6.148 10.444 4.296 1.00 0.00 C ATOM 104 CD GLU A 7 5.583 11.672 4.953 1.00 0.00 C ATOM 105 OE1 GLU A 7 4.447 11.994 4.693 1.00 0.00 O ATOM 106 OE2 GLU A 7 6.244 12.226 5.799 1.00 0.00 O ATOM 0 H GLU A 7 6.471 9.293 1.210 1.00 0.00 H new ATOM 0 HA GLU A 7 5.897 7.813 3.709 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.890 10.426 2.566 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.190 9.647 3.971 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.487 9.744 5.059 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.021 10.715 3.702 1.00 0.00 H new ATOM 113 N VAL A 8 3.801 6.715 2.927 1.00 0.00 N ATOM 114 CA VAL A 8 2.709 5.853 2.477 1.00 0.00 C ATOM 115 C VAL A 8 1.483 6.075 3.375 1.00 0.00 C ATOM 116 O VAL A 8 1.541 5.844 4.585 1.00 0.00 O ATOM 117 CB VAL A 8 3.104 4.365 2.498 1.00 0.00 C ATOM 118 CG1 VAL A 8 1.910 3.491 2.145 1.00 0.00 C ATOM 119 CG2 VAL A 8 4.255 4.105 1.538 1.00 0.00 C ATOM 0 H VAL A 8 4.108 6.506 3.877 1.00 0.00 H new ATOM 0 HA VAL A 8 2.476 6.117 1.446 1.00 0.00 H new ATOM 0 HB VAL A 8 3.431 4.111 3.506 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.208 2.443 2.165 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.112 3.655 2.869 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.553 3.748 1.148 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.521 3.048 1.566 1.00 0.00 H new ATOM 0 HG22 VAL A 8 3.953 4.376 0.526 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.117 4.704 1.833 1.00 0.00 H new ATOM 129 N GLN A 9 0.374 6.514 2.762 1.00 0.00 N ATOM 130 CA GLN A 9 -0.902 6.712 3.445 1.00 0.00 C ATOM 131 C GLN A 9 -1.820 5.537 3.084 1.00 0.00 C ATOM 132 O GLN A 9 -2.151 5.342 1.905 1.00 0.00 O ATOM 133 CB GLN A 9 -1.547 8.042 3.045 1.00 0.00 C ATOM 134 CG GLN A 9 -2.858 8.336 3.754 1.00 0.00 C ATOM 135 CD GLN A 9 -3.403 9.711 3.415 1.00 0.00 C ATOM 136 OE1 GLN A 9 -2.751 10.500 2.727 1.00 0.00 O ATOM 137 NE2 GLN A 9 -4.603 10.006 3.901 1.00 0.00 N ATOM 0 H GLN A 9 0.343 6.742 1.768 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.739 6.749 4.522 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -0.846 8.850 3.252 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -1.721 8.039 1.969 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -3.593 7.579 3.481 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -2.710 8.262 4.831 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -5.107 9.322 4.466 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -5.021 10.916 3.710 1.00 0.00 H new ATOM 146 N VAL A 10 -2.190 4.740 4.097 1.00 0.00 N ATOM 147 CA VAL A 10 -3.067 3.572 3.909 1.00 0.00 C ATOM 148 C VAL A 10 -4.400 3.846 4.623 1.00 0.00 C ATOM 149 O VAL A 10 -4.416 4.123 5.825 1.00 0.00 O ATOM 150 CB VAL A 10 -2.439 2.277 4.455 1.00 0.00 C ATOM 151 CG1 VAL A 10 -3.391 1.104 4.270 1.00 0.00 C ATOM 152 CG2 VAL A 10 -1.111 1.996 3.768 1.00 0.00 C ATOM 0 H VAL A 10 -1.894 4.884 5.062 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.221 3.425 2.840 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.254 2.408 5.521 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.931 0.197 4.661 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.319 1.301 4.806 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.606 0.973 3.209 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.682 1.077 4.167 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.272 1.885 2.696 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.426 2.824 3.948 1.00 0.00 H new ATOM 162 N LYS A 11 -5.501 3.783 3.862 1.00 0.00 N ATOM 163 CA LYS A 11 -6.868 3.986 4.372 1.00 0.00 C ATOM 164 C LYS A 11 -7.698 2.725 4.092 1.00 0.00 C ATOM 165 O LYS A 11 -7.843 2.342 2.938 1.00 0.00 O ATOM 166 CB LYS A 11 -7.519 5.213 3.734 1.00 0.00 C ATOM 167 CG LYS A 11 -8.875 5.582 4.321 1.00 0.00 C ATOM 168 CD LYS A 11 -9.402 6.878 3.723 1.00 0.00 C ATOM 169 CE LYS A 11 -10.720 7.288 4.364 1.00 0.00 C ATOM 170 NZ LYS A 11 -11.188 8.614 3.877 1.00 0.00 N ATOM 0 H LYS A 11 -5.469 3.587 2.861 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.824 4.164 5.447 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.846 6.064 3.842 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.636 5.033 2.665 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.586 4.777 4.134 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.789 5.686 5.403 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.666 7.670 3.861 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.540 6.755 2.649 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.478 6.535 4.149 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.602 7.321 5.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.088 8.855 4.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.477 9.338 4.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.326 8.577 2.847 1.00 0.00 H new ATOM 184 N ILE A 12 -8.230 2.072 5.140 1.00 0.00 N ATOM 185 CA ILE A 12 -8.981 0.808 4.986 1.00 0.00 C ATOM 186 C ILE A 12 -10.350 0.892 5.688 1.00 0.00 C ATOM 187 O ILE A 12 -10.459 1.360 6.821 1.00 0.00 O ATOM 188 CB ILE A 12 -8.198 -0.391 5.550 1.00 0.00 C ATOM 189 CG1 ILE A 12 -8.996 -1.685 5.363 1.00 0.00 C ATOM 190 CG2 ILE A 12 -7.872 -0.171 7.019 1.00 0.00 C ATOM 191 CD1 ILE A 12 -8.194 -2.939 5.625 1.00 0.00 C ATOM 0 H ILE A 12 -8.155 2.397 6.104 1.00 0.00 H new ATOM 0 HA ILE A 12 -9.129 0.657 3.917 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.261 -0.482 5.001 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.857 -1.670 6.031 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.383 -1.718 4.345 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.318 -1.029 7.401 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -7.267 0.729 7.127 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.797 -0.056 7.584 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -8.826 -3.814 5.473 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -7.347 -2.979 4.940 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -7.829 -2.930 6.652 1.00 0.00 H new ATOM 203 N THR A 13 -11.402 0.436 4.993 1.00 0.00 N ATOM 204 CA THR A 13 -12.755 0.371 5.530 1.00 0.00 C ATOM 205 C THR A 13 -13.100 -1.098 5.816 1.00 0.00 C ATOM 206 O THR A 13 -12.874 -1.977 4.968 1.00 0.00 O ATOM 207 CB THR A 13 -13.790 0.974 4.562 1.00 0.00 C ATOM 208 OG1 THR A 13 -13.494 2.359 4.344 1.00 0.00 O ATOM 209 CG2 THR A 13 -15.193 0.843 5.132 1.00 0.00 C ATOM 0 H THR A 13 -11.329 0.100 4.033 1.00 0.00 H new ATOM 0 HA THR A 13 -12.791 0.959 6.447 1.00 0.00 H new ATOM 0 HB THR A 13 -13.741 0.432 3.618 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.631 2.858 5.176 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.911 1.274 4.434 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.426 -0.210 5.287 1.00 0.00 H new ATOM 0 HG23 THR A 13 -15.250 1.371 6.084 1.00 0.00 H new ATOM 217 N CYS A 14 -13.621 -1.348 7.018 1.00 0.00 N ATOM 218 CA CYS A 14 -13.911 -2.687 7.527 1.00 0.00 C ATOM 219 C CYS A 14 -14.998 -2.608 8.598 1.00 0.00 C ATOM 220 O CYS A 14 -14.834 -1.871 9.583 1.00 0.00 O ATOM 221 CB CYS A 14 -12.639 -3.308 8.122 1.00 0.00 C ATOM 222 SG CYS A 14 -12.943 -4.813 9.094 1.00 0.00 S ATOM 0 H CYS A 14 -13.858 -0.608 7.679 1.00 0.00 H new ATOM 0 HA CYS A 14 -14.261 -3.312 6.706 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -11.948 -3.543 7.313 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -12.148 -2.570 8.756 1.00 0.00 H new ATOM 227 N ASN A 15 -16.094 -3.379 8.385 1.00 0.00 N ATOM 228 CA ASN A 15 -17.244 -3.507 9.314 1.00 0.00 C ATOM 229 C ASN A 15 -18.160 -2.267 9.174 1.00 0.00 C ATOM 230 O ASN A 15 -19.307 -2.372 8.727 1.00 0.00 O ATOM 231 CB ASN A 15 -16.794 -3.679 10.754 1.00 0.00 C ATOM 232 CG ASN A 15 -17.898 -4.092 11.687 1.00 0.00 C ATOM 233 OD1 ASN A 15 -18.850 -3.342 11.925 1.00 0.00 O ATOM 234 ND2 ASN A 15 -17.734 -5.249 12.278 1.00 0.00 N ATOM 0 H ASN A 15 -16.205 -3.942 7.542 1.00 0.00 H new ATOM 0 HA ASN A 15 -17.800 -4.405 9.045 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -16.001 -4.426 10.791 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -16.365 -2.741 11.106 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -18.411 -5.568 12.971 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -16.929 -5.831 12.045 1.00 0.00 H new ATOM 241 N GLY A 16 -17.616 -1.102 9.544 1.00 0.00 N ATOM 242 CA GLY A 16 -18.279 0.191 9.382 1.00 0.00 C ATOM 243 C GLY A 16 -17.457 1.310 10.010 1.00 0.00 C ATOM 244 O GLY A 16 -17.953 2.419 10.229 1.00 0.00 O ATOM 0 H GLY A 16 -16.691 -1.033 9.969 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -18.429 0.396 8.322 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -19.266 0.158 9.843 1.00 0.00 H new ATOM 248 N LYS A 17 -16.184 0.996 10.301 1.00 0.00 N ATOM 249 CA LYS A 17 -15.173 1.951 10.759 1.00 0.00 C ATOM 250 C LYS A 17 -14.013 1.977 9.763 1.00 0.00 C ATOM 251 O LYS A 17 -13.586 0.931 9.267 1.00 0.00 O ATOM 252 CB LYS A 17 -14.671 1.592 12.159 1.00 0.00 C ATOM 253 CG LYS A 17 -15.735 1.667 13.246 1.00 0.00 C ATOM 254 CD LYS A 17 -15.180 1.229 14.593 1.00 0.00 C ATOM 255 CE LYS A 17 -14.248 2.281 15.177 1.00 0.00 C ATOM 256 NZ LYS A 17 -13.858 1.963 16.578 1.00 0.00 N ATOM 0 H LYS A 17 -15.825 0.045 10.221 1.00 0.00 H new ATOM 0 HA LYS A 17 -15.624 2.942 10.815 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -14.261 0.582 12.137 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -13.853 2.262 12.421 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -16.112 2.687 13.320 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -16.580 1.034 12.975 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -16.002 1.045 15.285 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -14.643 0.288 14.478 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -13.353 2.356 14.559 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -14.737 3.255 15.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.223 2.704 16.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -14.709 1.917 17.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.368 1.046 16.602 1.00 0.00 H new ATOM 270 N THR A 18 -13.501 3.177 9.495 1.00 0.00 N ATOM 271 CA THR A 18 -12.394 3.382 8.562 1.00 0.00 C ATOM 272 C THR A 18 -11.142 3.773 9.358 1.00 0.00 C ATOM 273 O THR A 18 -11.198 4.673 10.206 1.00 0.00 O ATOM 274 CB THR A 18 -12.711 4.469 7.518 1.00 0.00 C ATOM 275 OG1 THR A 18 -13.836 4.064 6.729 1.00 0.00 O ATOM 276 CG2 THR A 18 -11.514 4.700 6.609 1.00 0.00 C ATOM 0 H THR A 18 -13.844 4.038 9.921 1.00 0.00 H new ATOM 0 HA THR A 18 -12.227 2.452 8.019 1.00 0.00 H new ATOM 0 HB THR A 18 -12.941 5.397 8.040 1.00 0.00 H new ATOM 0 HG1 THR A 18 -14.037 4.757 6.066 1.00 0.00 H new ATOM 0 HG21 THR A 18 -11.756 5.471 5.878 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.660 5.021 7.206 1.00 0.00 H new ATOM 0 HG23 THR A 18 -11.266 3.774 6.091 1.00 0.00 H new ATOM 284 N TYR A 19 -10.035 3.079 9.082 1.00 0.00 N ATOM 285 CA TYR A 19 -8.759 3.252 9.778 1.00 0.00 C ATOM 286 C TYR A 19 -7.739 3.719 8.738 1.00 0.00 C ATOM 287 O TYR A 19 -7.607 3.107 7.669 1.00 0.00 O ATOM 288 CB TYR A 19 -8.305 1.955 10.452 1.00 0.00 C ATOM 289 CG TYR A 19 -9.302 1.397 11.442 1.00 0.00 C ATOM 290 CD1 TYR A 19 -10.432 0.717 11.009 1.00 0.00 C ATOM 291 CD2 TYR A 19 -9.111 1.550 12.807 1.00 0.00 C ATOM 292 CE1 TYR A 19 -11.346 0.204 11.909 1.00 0.00 C ATOM 293 CE2 TYR A 19 -10.019 1.042 13.716 1.00 0.00 C ATOM 294 CZ TYR A 19 -11.136 0.369 13.264 1.00 0.00 C ATOM 295 OH TYR A 19 -12.043 -0.140 14.165 1.00 0.00 O ATOM 0 H TYR A 19 -10.001 2.366 8.353 1.00 0.00 H new ATOM 0 HA TYR A 19 -8.861 3.988 10.575 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -8.113 1.206 9.684 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.360 2.135 10.965 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -10.600 0.587 9.950 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -8.238 2.075 13.165 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -12.220 -0.323 11.555 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -9.855 1.171 14.776 1.00 0.00 H new ATOM 0 HH TYR A 19 -11.746 0.061 15.077 1.00 0.00 H new ATOM 305 N GLU A 20 -7.058 4.833 9.041 1.00 0.00 N ATOM 306 CA GLU A 20 -6.040 5.409 8.157 1.00 0.00 C ATOM 307 C GLU A 20 -4.821 5.845 8.972 1.00 0.00 C ATOM 308 O GLU A 20 -4.944 6.311 10.115 1.00 0.00 O ATOM 309 CB GLU A 20 -6.608 6.594 7.374 1.00 0.00 C ATOM 310 CG GLU A 20 -7.117 7.736 8.241 1.00 0.00 C ATOM 311 CD GLU A 20 -7.650 8.864 7.403 1.00 0.00 C ATOM 312 OE1 GLU A 20 -7.665 8.731 6.203 1.00 0.00 O ATOM 313 OE2 GLU A 20 -8.148 9.812 7.964 1.00 0.00 O ATOM 0 H GLU A 20 -7.198 5.358 9.904 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.732 4.645 7.443 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.835 6.977 6.707 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.425 6.240 6.745 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.902 7.370 8.903 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.309 8.102 8.875 1.00 0.00 H new ATOM 320 N ARG A 21 -3.650 5.650 8.372 1.00 0.00 N ATOM 321 CA ARG A 21 -2.357 5.940 8.982 1.00 0.00 C ATOM 322 C ARG A 21 -1.342 6.210 7.868 1.00 0.00 C ATOM 323 O ARG A 21 -1.310 5.500 6.847 1.00 0.00 O ATOM 324 CB ARG A 21 -1.893 4.847 9.934 1.00 0.00 C ATOM 325 CG ARG A 21 -0.545 5.099 10.591 1.00 0.00 C ATOM 326 CD ARG A 21 -0.537 6.225 11.560 1.00 0.00 C ATOM 327 NE ARG A 21 0.731 6.424 12.242 1.00 0.00 N ATOM 328 CZ ARG A 21 1.047 7.514 12.968 1.00 0.00 C ATOM 329 NH1 ARG A 21 0.207 8.520 13.079 1.00 0.00 N ATOM 330 NH2 ARG A 21 2.234 7.556 13.548 1.00 0.00 N ATOM 0 H ARG A 21 -3.573 5.277 7.426 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.455 6.828 9.606 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.644 4.723 10.715 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.844 3.906 9.387 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.229 4.191 11.105 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.193 5.299 9.814 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.800 7.143 11.034 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.313 6.052 12.306 1.00 0.00 H new ATOM 0 HE ARG A 21 1.431 5.686 12.166 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.699 8.482 12.612 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.461 9.338 13.632 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.882 6.776 13.440 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.501 8.368 14.104 1.00 0.00 H new ATOM 344 N THR A 22 -0.545 7.260 8.059 1.00 0.00 N ATOM 345 CA THR A 22 0.560 7.613 7.178 1.00 0.00 C ATOM 346 C THR A 22 1.883 7.152 7.823 1.00 0.00 C ATOM 347 O THR A 22 2.100 7.362 9.020 1.00 0.00 O ATOM 348 CB THR A 22 0.612 9.127 6.900 1.00 0.00 C ATOM 349 OG1 THR A 22 -0.601 9.538 6.256 1.00 0.00 O ATOM 350 CG2 THR A 22 1.795 9.466 6.006 1.00 0.00 C ATOM 0 H THR A 22 -0.654 7.899 8.846 1.00 0.00 H new ATOM 0 HA THR A 22 0.409 7.112 6.222 1.00 0.00 H new ATOM 0 HB THR A 22 0.725 9.651 7.849 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.568 10.502 6.081 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.815 10.540 5.821 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.720 9.165 6.497 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.699 8.936 5.058 1.00 0.00 H new ATOM 358 N TYR A 23 2.721 6.466 7.028 1.00 0.00 N ATOM 359 CA TYR A 23 4.014 5.907 7.473 1.00 0.00 C ATOM 360 C TYR A 23 5.169 6.552 6.689 1.00 0.00 C ATOM 361 O TYR A 23 5.011 6.858 5.515 1.00 0.00 O ATOM 362 CB TYR A 23 4.041 4.386 7.296 1.00 0.00 C ATOM 363 CG TYR A 23 3.009 3.655 8.126 1.00 0.00 C ATOM 364 CD1 TYR A 23 1.725 3.444 7.643 1.00 0.00 C ATOM 365 CD2 TYR A 23 3.322 3.177 9.390 1.00 0.00 C ATOM 366 CE1 TYR A 23 0.780 2.778 8.398 1.00 0.00 C ATOM 367 CE2 TYR A 23 2.385 2.509 10.152 1.00 0.00 C ATOM 368 CZ TYR A 23 1.113 2.310 9.653 1.00 0.00 C ATOM 369 OH TYR A 23 0.176 1.645 10.409 1.00 0.00 O ATOM 0 H TYR A 23 2.519 6.280 6.046 1.00 0.00 H new ATOM 0 HA TYR A 23 4.136 6.130 8.533 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.881 4.149 6.244 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.032 4.017 7.559 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.461 3.807 6.661 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.316 3.330 9.784 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -0.215 2.624 8.008 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.646 2.144 11.134 1.00 0.00 H new ATOM 0 HH TYR A 23 0.578 1.368 11.259 1.00 0.00 H new ATOM 379 N GLN A 24 6.325 6.715 7.341 1.00 0.00 N ATOM 380 CA GLN A 24 7.559 7.172 6.687 1.00 0.00 C ATOM 381 C GLN A 24 8.466 5.949 6.450 1.00 0.00 C ATOM 382 O GLN A 24 8.858 5.263 7.402 1.00 0.00 O ATOM 383 CB GLN A 24 8.281 8.219 7.539 1.00 0.00 C ATOM 384 CG GLN A 24 7.484 9.492 7.771 1.00 0.00 C ATOM 385 CD GLN A 24 8.241 10.504 8.610 1.00 0.00 C ATOM 386 OE1 GLN A 24 9.397 10.284 8.981 1.00 0.00 O ATOM 387 NE2 GLN A 24 7.590 11.621 8.916 1.00 0.00 N ATOM 0 H GLN A 24 6.433 6.534 8.339 1.00 0.00 H new ATOM 0 HA GLN A 24 7.312 7.644 5.736 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.528 7.778 8.504 1.00 0.00 H new ATOM 0 HB3 GLN A 24 9.223 8.477 7.056 1.00 0.00 H new ATOM 0 HG2 GLN A 24 7.230 9.939 6.810 1.00 0.00 H new ATOM 0 HG3 GLN A 24 6.545 9.244 8.265 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.635 11.761 8.587 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.046 12.339 9.479 1.00 0.00 H new ATOM 396 N LEU A 25 8.765 5.673 5.173 1.00 0.00 N ATOM 397 CA LEU A 25 9.601 4.539 4.747 1.00 0.00 C ATOM 398 C LEU A 25 10.889 5.074 4.097 1.00 0.00 C ATOM 399 O LEU A 25 10.861 5.543 2.950 1.00 0.00 O ATOM 400 CB LEU A 25 8.834 3.633 3.776 1.00 0.00 C ATOM 401 CG LEU A 25 7.492 3.105 4.297 1.00 0.00 C ATOM 402 CD1 LEU A 25 6.857 2.183 3.265 1.00 0.00 C ATOM 403 CD2 LEU A 25 7.709 2.373 5.614 1.00 0.00 C ATOM 0 H LEU A 25 8.428 6.239 4.394 1.00 0.00 H new ATOM 0 HA LEU A 25 9.864 3.939 5.618 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.655 4.185 2.853 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.467 2.783 3.521 1.00 0.00 H new ATOM 0 HG LEU A 25 6.815 3.942 4.469 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.904 1.813 3.645 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.690 2.734 2.339 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.522 1.341 3.071 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.755 1.998 5.983 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.391 1.537 5.458 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.137 3.059 6.345 1.00 0.00 H new ATOM 415 N TYR A 26 12.001 5.038 4.852 1.00 0.00 N ATOM 416 CA TYR A 26 13.340 5.351 4.330 1.00 0.00 C ATOM 417 C TYR A 26 14.061 4.058 3.938 1.00 0.00 C ATOM 418 O TYR A 26 14.223 3.177 4.781 1.00 0.00 O ATOM 419 CB TYR A 26 14.162 6.128 5.361 1.00 0.00 C ATOM 420 CG TYR A 26 15.567 6.454 4.905 1.00 0.00 C ATOM 421 CD1 TYR A 26 15.813 7.534 4.069 1.00 0.00 C ATOM 422 CD2 TYR A 26 16.645 5.682 5.314 1.00 0.00 C ATOM 423 CE1 TYR A 26 17.093 7.836 3.649 1.00 0.00 C ATOM 424 CE2 TYR A 26 17.930 5.974 4.901 1.00 0.00 C ATOM 425 CZ TYR A 26 18.150 7.053 4.068 1.00 0.00 C ATOM 426 OH TYR A 26 19.428 7.350 3.655 1.00 0.00 O ATOM 0 H TYR A 26 11.995 4.791 5.842 1.00 0.00 H new ATOM 0 HA TYR A 26 13.228 5.979 3.446 1.00 0.00 H new ATOM 0 HB2 TYR A 26 13.643 7.057 5.600 1.00 0.00 H new ATOM 0 HB3 TYR A 26 14.215 5.547 6.282 1.00 0.00 H new ATOM 0 HD1 TYR A 26 14.988 8.149 3.741 1.00 0.00 H new ATOM 0 HD2 TYR A 26 16.476 4.838 5.967 1.00 0.00 H new ATOM 0 HE1 TYR A 26 17.266 8.679 2.997 1.00 0.00 H new ATOM 0 HE2 TYR A 26 18.758 5.362 5.228 1.00 0.00 H new ATOM 0 HH TYR A 26 20.055 6.703 4.040 1.00 0.00 H new ATOM 436 N ALA A 27 14.511 3.969 2.678 1.00 0.00 N ATOM 437 CA ALA A 27 15.105 2.742 2.116 1.00 0.00 C ATOM 438 C ALA A 27 16.313 3.083 1.242 1.00 0.00 C ATOM 439 O ALA A 27 16.388 4.172 0.668 1.00 0.00 O ATOM 440 CB ALA A 27 14.071 1.953 1.306 1.00 0.00 C ATOM 0 H ALA A 27 14.474 4.745 2.017 1.00 0.00 H new ATOM 0 HA ALA A 27 15.437 2.118 2.946 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.535 1.053 0.903 1.00 0.00 H new ATOM 0 HB2 ALA A 27 13.239 1.674 1.952 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.703 2.570 0.486 1.00 0.00 H new ATOM 446 N VAL A 28 17.257 2.134 1.160 1.00 0.00 N ATOM 447 CA VAL A 28 18.435 2.234 0.280 1.00 0.00 C ATOM 448 C VAL A 28 18.156 1.471 -1.027 1.00 0.00 C ATOM 449 O VAL A 28 18.483 1.934 -2.124 1.00 0.00 O ATOM 450 CB VAL A 28 19.704 1.670 0.946 1.00 0.00 C ATOM 451 CG1 VAL A 28 20.857 1.640 -0.046 1.00 0.00 C ATOM 452 CG2 VAL A 28 20.077 2.496 2.167 1.00 0.00 C ATOM 0 H VAL A 28 17.227 1.271 1.704 1.00 0.00 H new ATOM 0 HA VAL A 28 18.613 3.290 0.075 1.00 0.00 H new ATOM 0 HB VAL A 28 19.498 0.649 1.269 1.00 0.00 H new ATOM 0 HG11 VAL A 28 21.746 1.239 0.441 1.00 0.00 H new ATOM 0 HG12 VAL A 28 20.591 1.008 -0.894 1.00 0.00 H new ATOM 0 HG13 VAL A 28 21.061 2.651 -0.397 1.00 0.00 H new ATOM 0 HG21 VAL A 28 20.976 2.083 2.625 1.00 0.00 H new ATOM 0 HG22 VAL A 28 20.264 3.527 1.866 1.00 0.00 H new ATOM 0 HG23 VAL A 28 19.259 2.471 2.887 1.00 0.00 H new ATOM 462 N ARG A 29 17.533 0.287 -0.875 1.00 0.00 N ATOM 463 CA ARG A 29 17.240 -0.640 -1.983 1.00 0.00 C ATOM 464 C ARG A 29 15.722 -0.748 -2.184 1.00 0.00 C ATOM 465 O ARG A 29 14.937 -0.633 -1.233 1.00 0.00 O ATOM 466 CB ARG A 29 17.881 -2.007 -1.790 1.00 0.00 C ATOM 467 CG ARG A 29 19.401 -2.007 -1.805 1.00 0.00 C ATOM 468 CD ARG A 29 20.019 -3.261 -1.303 1.00 0.00 C ATOM 469 NE ARG A 29 19.828 -3.500 0.117 1.00 0.00 N ATOM 470 CZ ARG A 29 20.112 -4.659 0.743 1.00 0.00 C ATOM 471 NH1 ARG A 29 20.563 -5.697 0.074 1.00 0.00 N ATOM 472 NH2 ARG A 29 19.902 -4.734 2.045 1.00 0.00 N ATOM 0 H ARG A 29 17.216 -0.056 0.032 1.00 0.00 H new ATOM 0 HA ARG A 29 17.687 -0.229 -2.888 1.00 0.00 H new ATOM 0 HB2 ARG A 29 17.541 -2.421 -0.841 1.00 0.00 H new ATOM 0 HB3 ARG A 29 17.524 -2.674 -2.575 1.00 0.00 H new ATOM 0 HG2 ARG A 29 19.742 -1.831 -2.825 1.00 0.00 H new ATOM 0 HG3 ARG A 29 19.758 -1.173 -1.201 1.00 0.00 H new ATOM 0 HD2 ARG A 29 19.606 -4.103 -1.859 1.00 0.00 H new ATOM 0 HD3 ARG A 29 21.088 -3.234 -1.513 1.00 0.00 H new ATOM 0 HE ARG A 29 19.452 -2.737 0.680 1.00 0.00 H new ATOM 0 HH11 ARG A 29 20.703 -5.632 -0.934 1.00 0.00 H new ATOM 0 HH12 ARG A 29 20.773 -6.567 0.563 1.00 0.00 H new ATOM 0 HH21 ARG A 29 19.534 -3.927 2.550 1.00 0.00 H new ATOM 0 HH22 ARG A 29 20.108 -5.598 2.546 1.00 0.00 H new ATOM 486 N ASP A 30 15.332 -1.015 -3.435 1.00 0.00 N ATOM 487 CA ASP A 30 13.921 -1.195 -3.840 1.00 0.00 C ATOM 488 C ASP A 30 13.274 -2.368 -3.070 1.00 0.00 C ATOM 489 O ASP A 30 12.114 -2.282 -2.638 1.00 0.00 O ATOM 490 CB ASP A 30 13.818 -1.434 -5.349 1.00 0.00 C ATOM 491 CG ASP A 30 14.070 -0.196 -6.199 1.00 0.00 C ATOM 492 OD1 ASP A 30 14.094 0.882 -5.653 1.00 0.00 O ATOM 493 OD2 ASP A 30 14.389 -0.349 -7.354 1.00 0.00 O ATOM 0 H ASP A 30 15.990 -1.115 -4.208 1.00 0.00 H new ATOM 0 HA ASP A 30 13.382 -0.280 -3.594 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.533 -2.206 -5.632 1.00 0.00 H new ATOM 0 HB3 ASP A 30 12.825 -1.820 -5.577 1.00 0.00 H new ATOM 498 N GLU A 31 14.057 -3.450 -2.884 1.00 0.00 N ATOM 499 CA GLU A 31 13.644 -4.649 -2.125 1.00 0.00 C ATOM 500 C GLU A 31 13.387 -4.325 -0.637 1.00 0.00 C ATOM 501 O GLU A 31 12.478 -4.899 -0.019 1.00 0.00 O ATOM 502 CB GLU A 31 14.703 -5.746 -2.246 1.00 0.00 C ATOM 503 CG GLU A 31 14.328 -7.058 -1.573 1.00 0.00 C ATOM 504 CD GLU A 31 13.177 -7.724 -2.274 1.00 0.00 C ATOM 505 OE1 GLU A 31 12.848 -7.309 -3.359 1.00 0.00 O ATOM 506 OE2 GLU A 31 12.699 -8.717 -1.778 1.00 0.00 O ATOM 0 H GLU A 31 15.003 -3.517 -3.260 1.00 0.00 H new ATOM 0 HA GLU A 31 12.707 -5.002 -2.556 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.894 -5.935 -3.302 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.636 -5.383 -1.814 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.189 -7.726 -1.569 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.064 -6.872 -0.532 1.00 0.00 H new ATOM 513 N GLU A 32 14.174 -3.390 -0.073 1.00 0.00 N ATOM 514 CA GLU A 32 14.017 -2.966 1.330 1.00 0.00 C ATOM 515 C GLU A 32 12.663 -2.271 1.529 1.00 0.00 C ATOM 516 O GLU A 32 11.967 -2.523 2.516 1.00 0.00 O ATOM 517 CB GLU A 32 15.156 -2.033 1.748 1.00 0.00 C ATOM 518 CG GLU A 32 16.513 -2.713 1.866 1.00 0.00 C ATOM 519 CD GLU A 32 17.617 -1.704 2.027 1.00 0.00 C ATOM 520 OE1 GLU A 32 17.348 -0.532 1.906 1.00 0.00 O ATOM 521 OE2 GLU A 32 18.704 -2.094 2.382 1.00 0.00 O ATOM 0 H GLU A 32 14.927 -2.913 -0.569 1.00 0.00 H new ATOM 0 HA GLU A 32 14.053 -3.855 1.960 1.00 0.00 H new ATOM 0 HB2 GLU A 32 15.231 -1.223 1.023 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.905 -1.580 2.707 1.00 0.00 H new ATOM 0 HG2 GLU A 32 16.510 -3.391 2.719 1.00 0.00 H new ATOM 0 HG3 GLU A 32 16.697 -3.319 0.979 1.00 0.00 H new ATOM 528 N LEU A 33 12.290 -1.428 0.548 1.00 0.00 N ATOM 529 CA LEU A 33 11.002 -0.711 0.534 1.00 0.00 C ATOM 530 C LEU A 33 9.816 -1.703 0.374 1.00 0.00 C ATOM 531 O LEU A 33 8.800 -1.543 1.047 1.00 0.00 O ATOM 532 CB LEU A 33 11.007 0.390 -0.592 1.00 0.00 C ATOM 533 CG LEU A 33 10.097 1.661 -0.374 1.00 0.00 C ATOM 534 CD1 LEU A 33 8.608 1.323 -0.218 1.00 0.00 C ATOM 535 CD2 LEU A 33 10.581 2.501 0.820 1.00 0.00 C ATOM 0 H LEU A 33 12.877 -1.224 -0.261 1.00 0.00 H new ATOM 0 HA LEU A 33 10.867 -0.207 1.491 1.00 0.00 H new ATOM 0 HB2 LEU A 33 12.034 0.731 -0.725 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.705 -0.083 -1.526 1.00 0.00 H new ATOM 0 HG LEU A 33 10.194 2.251 -1.285 1.00 0.00 H new ATOM 0 HD11 LEU A 33 8.040 2.242 -0.071 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.254 0.817 -1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.471 0.670 0.644 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.932 3.368 0.942 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.552 1.896 1.726 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.603 2.835 0.640 1.00 0.00 H new ATOM 547 N LYS A 34 9.982 -2.741 -0.489 1.00 0.00 N ATOM 548 CA LYS A 34 8.931 -3.747 -0.778 1.00 0.00 C ATOM 549 C LYS A 34 8.450 -4.463 0.498 1.00 0.00 C ATOM 550 O LYS A 34 7.238 -4.539 0.760 1.00 0.00 O ATOM 551 CB LYS A 34 9.439 -4.776 -1.788 1.00 0.00 C ATOM 552 CG LYS A 34 9.433 -4.295 -3.234 1.00 0.00 C ATOM 553 CD LYS A 34 10.166 -5.269 -4.144 1.00 0.00 C ATOM 554 CE LYS A 34 9.545 -6.657 -4.086 1.00 0.00 C ATOM 555 NZ LYS A 34 10.373 -7.669 -4.797 1.00 0.00 N ATOM 0 H LYS A 34 10.849 -2.901 -1.002 1.00 0.00 H new ATOM 0 HA LYS A 34 8.081 -3.211 -1.201 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.455 -5.062 -1.517 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.825 -5.674 -1.714 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.405 -4.178 -3.576 1.00 0.00 H new ATOM 0 HG3 LYS A 34 9.903 -3.313 -3.295 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.141 -4.900 -5.169 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.214 -5.325 -3.851 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.422 -6.956 -3.045 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.549 -6.627 -4.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.950 -8.611 -4.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.413 -7.435 -5.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.336 -7.669 -4.403 1.00 0.00 H new ATOM 569 N GLU A 35 9.417 -4.985 1.285 1.00 0.00 N ATOM 570 CA GLU A 35 9.111 -5.669 2.554 1.00 0.00 C ATOM 571 C GLU A 35 8.494 -4.705 3.579 1.00 0.00 C ATOM 572 O GLU A 35 7.638 -5.122 4.349 1.00 0.00 O ATOM 573 CB GLU A 35 10.374 -6.310 3.134 1.00 0.00 C ATOM 574 CG GLU A 35 11.512 -5.333 3.396 1.00 0.00 C ATOM 575 CD GLU A 35 12.708 -6.031 3.981 1.00 0.00 C ATOM 576 OE1 GLU A 35 12.657 -7.227 4.136 1.00 0.00 O ATOM 577 OE2 GLU A 35 13.713 -5.387 4.170 1.00 0.00 O ATOM 0 H GLU A 35 10.411 -4.944 1.062 1.00 0.00 H new ATOM 0 HA GLU A 35 8.380 -6.448 2.340 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.117 -6.809 4.069 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.724 -7.081 2.447 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.794 -4.842 2.465 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.174 -4.553 4.078 1.00 0.00 H new ATOM 584 N LYS A 36 8.889 -3.412 3.525 1.00 0.00 N ATOM 585 CA LYS A 36 8.332 -2.342 4.394 1.00 0.00 C ATOM 586 C LYS A 36 6.845 -2.112 4.078 1.00 0.00 C ATOM 587 O LYS A 36 6.028 -1.958 4.997 1.00 0.00 O ATOM 588 CB LYS A 36 9.112 -1.037 4.223 1.00 0.00 C ATOM 589 CG LYS A 36 10.492 -1.041 4.866 1.00 0.00 C ATOM 590 CD LYS A 36 11.246 0.247 4.566 1.00 0.00 C ATOM 591 CE LYS A 36 12.695 0.160 5.023 1.00 0.00 C ATOM 592 NZ LYS A 36 12.806 0.015 6.499 1.00 0.00 N ATOM 0 H LYS A 36 9.603 -3.078 2.878 1.00 0.00 H new ATOM 0 HA LYS A 36 8.427 -2.667 5.430 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.221 -0.830 3.158 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.528 -0.221 4.649 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.393 -1.164 5.944 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.064 -1.893 4.499 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.212 0.450 3.496 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.755 1.083 5.065 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.178 -0.688 4.538 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.230 1.055 4.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.809 0.028 6.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.309 0.802 6.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.378 -0.886 6.793 1.00 0.00 H new ATOM 606 N LEU A 37 6.517 -2.109 2.764 1.00 0.00 N ATOM 607 CA LEU A 37 5.132 -1.967 2.270 1.00 0.00 C ATOM 608 C LEU A 37 4.280 -3.132 2.781 1.00 0.00 C ATOM 609 O LEU A 37 3.162 -2.913 3.226 1.00 0.00 O ATOM 610 CB LEU A 37 5.105 -1.910 0.737 1.00 0.00 C ATOM 611 CG LEU A 37 5.655 -0.617 0.122 1.00 0.00 C ATOM 612 CD1 LEU A 37 5.831 -0.788 -1.381 1.00 0.00 C ATOM 613 CD2 LEU A 37 4.708 0.534 0.427 1.00 0.00 C ATOM 0 H LEU A 37 7.207 -2.205 2.019 1.00 0.00 H new ATOM 0 HA LEU A 37 4.718 -1.032 2.647 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.679 -2.751 0.348 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.076 -2.044 0.402 1.00 0.00 H new ATOM 0 HG LEU A 37 6.629 -0.393 0.556 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.222 0.135 -1.809 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.529 -1.602 -1.575 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.868 -1.020 -1.836 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.099 1.453 -0.010 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.727 0.320 0.004 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.619 0.655 1.507 1.00 0.00 H new ATOM 625 N LYS A 38 4.860 -4.354 2.754 1.00 0.00 N ATOM 626 CA LYS A 38 4.222 -5.580 3.300 1.00 0.00 C ATOM 627 C LYS A 38 3.899 -5.445 4.812 1.00 0.00 C ATOM 628 O LYS A 38 2.798 -5.806 5.236 1.00 0.00 O ATOM 629 CB LYS A 38 5.121 -6.795 3.065 1.00 0.00 C ATOM 630 CG LYS A 38 5.274 -7.191 1.603 1.00 0.00 C ATOM 631 CD LYS A 38 6.242 -8.355 1.443 1.00 0.00 C ATOM 632 CE LYS A 38 6.516 -8.651 -0.024 1.00 0.00 C ATOM 633 NZ LYS A 38 7.509 -9.746 -0.195 1.00 0.00 N ATOM 0 H LYS A 38 5.783 -4.521 2.354 1.00 0.00 H new ATOM 0 HA LYS A 38 3.279 -5.717 2.772 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.108 -6.586 3.477 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.717 -7.643 3.618 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.301 -7.466 1.195 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.631 -6.337 1.028 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.179 -8.124 1.950 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.830 -9.242 1.924 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.584 -8.926 -0.519 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.883 -7.749 -0.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.667 -9.916 -1.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.407 -9.474 0.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.148 -10.614 0.250 1.00 0.00 H new ATOM 647 N LYS A 39 4.863 -4.911 5.608 1.00 0.00 N ATOM 648 CA LYS A 39 4.691 -4.726 7.076 1.00 0.00 C ATOM 649 C LYS A 39 3.548 -3.732 7.355 1.00 0.00 C ATOM 650 O LYS A 39 2.669 -3.992 8.187 1.00 0.00 O ATOM 651 CB LYS A 39 5.987 -4.236 7.722 1.00 0.00 C ATOM 652 CG LYS A 39 7.099 -5.276 7.771 1.00 0.00 C ATOM 653 CD LYS A 39 8.353 -4.715 8.426 1.00 0.00 C ATOM 654 CE LYS A 39 9.477 -5.740 8.440 1.00 0.00 C ATOM 655 NZ LYS A 39 10.717 -5.198 9.059 1.00 0.00 N ATOM 0 H LYS A 39 5.769 -4.600 5.258 1.00 0.00 H new ATOM 0 HA LYS A 39 4.437 -5.691 7.514 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.345 -3.365 7.173 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.770 -3.906 8.738 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.757 -6.151 8.324 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.333 -5.610 6.760 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.678 -3.824 7.890 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.126 -4.408 9.447 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.154 -6.625 8.989 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.690 -6.058 7.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.458 -5.928 9.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.040 -4.369 8.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.521 -4.918 10.041 1.00 0.00 H new ATOM 669 N VAL A 40 3.565 -2.616 6.597 1.00 0.00 N ATOM 670 CA VAL A 40 2.546 -1.548 6.681 1.00 0.00 C ATOM 671 C VAL A 40 1.133 -2.089 6.372 1.00 0.00 C ATOM 672 O VAL A 40 0.196 -1.853 7.134 1.00 0.00 O ATOM 673 CB VAL A 40 2.863 -0.390 5.716 1.00 0.00 C ATOM 674 CG1 VAL A 40 1.672 0.550 5.603 1.00 0.00 C ATOM 675 CG2 VAL A 40 4.096 0.369 6.179 1.00 0.00 C ATOM 0 H VAL A 40 4.291 -2.429 5.905 1.00 0.00 H new ATOM 0 HA VAL A 40 2.569 -1.176 7.705 1.00 0.00 H new ATOM 0 HB VAL A 40 3.067 -0.810 4.731 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.913 1.362 4.917 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.809 0.001 5.226 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.439 0.961 6.585 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.304 1.183 5.485 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.920 0.777 7.174 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.950 -0.308 6.210 1.00 0.00 H new ATOM 685 N LEU A 41 1.008 -2.832 5.263 1.00 0.00 N ATOM 686 CA LEU A 41 -0.272 -3.401 4.808 1.00 0.00 C ATOM 687 C LEU A 41 -0.797 -4.436 5.805 1.00 0.00 C ATOM 688 O LEU A 41 -1.982 -4.430 6.121 1.00 0.00 O ATOM 689 CB LEU A 41 -0.114 -4.032 3.420 1.00 0.00 C ATOM 690 CG LEU A 41 0.040 -3.036 2.263 1.00 0.00 C ATOM 691 CD1 LEU A 41 0.419 -3.775 0.986 1.00 0.00 C ATOM 692 CD2 LEU A 41 -1.260 -2.269 2.076 1.00 0.00 C ATOM 0 H LEU A 41 1.794 -3.057 4.653 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.998 -2.591 4.744 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.758 -4.687 3.433 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.982 -4.661 3.224 1.00 0.00 H new ATOM 0 HG LEU A 41 0.835 -2.327 2.496 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.526 -3.060 0.170 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.363 -4.299 1.135 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.361 -4.495 0.737 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.150 -1.562 1.254 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.065 -2.968 1.848 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.498 -1.727 2.991 1.00 0.00 H new ATOM 704 N ASN A 42 0.093 -5.307 6.318 1.00 0.00 N ATOM 705 CA ASN A 42 -0.276 -6.305 7.347 1.00 0.00 C ATOM 706 C ASN A 42 -0.637 -5.619 8.683 1.00 0.00 C ATOM 707 O ASN A 42 -1.571 -6.050 9.360 1.00 0.00 O ATOM 708 CB ASN A 42 0.830 -7.321 7.561 1.00 0.00 C ATOM 709 CG ASN A 42 0.963 -8.316 6.443 1.00 0.00 C ATOM 710 OD1 ASN A 42 0.027 -8.537 5.666 1.00 0.00 O ATOM 711 ND2 ASN A 42 2.094 -8.976 6.405 1.00 0.00 N ATOM 0 H ASN A 42 1.073 -5.342 6.038 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.155 -6.835 6.980 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.777 -6.794 7.681 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.644 -7.857 8.492 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.233 -9.711 5.711 1.00 0.00 H new ATOM 0 HD22 ASN A 42 2.836 -8.755 7.069 1.00 0.00 H new ATOM 718 N GLU A 43 0.090 -4.539 9.029 1.00 0.00 N ATOM 719 CA GLU A 43 -0.132 -3.778 10.279 1.00 0.00 C ATOM 720 C GLU A 43 -1.544 -3.162 10.320 1.00 0.00 C ATOM 721 O GLU A 43 -2.211 -3.191 11.361 1.00 0.00 O ATOM 722 CB GLU A 43 0.922 -2.679 10.432 1.00 0.00 C ATOM 723 CG GLU A 43 0.732 -1.791 11.653 1.00 0.00 C ATOM 724 CD GLU A 43 1.830 -0.770 11.763 1.00 0.00 C ATOM 725 OE1 GLU A 43 2.825 -0.920 11.092 1.00 0.00 O ATOM 726 OE2 GLU A 43 1.631 0.219 12.429 1.00 0.00 O ATOM 0 H GLU A 43 0.846 -4.168 8.453 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.042 -4.477 11.110 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.907 -3.142 10.485 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.911 -2.055 9.539 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.232 -1.286 11.591 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.713 -2.406 12.553 1.00 0.00 H new ATOM 733 N ARG A 44 -1.974 -2.598 9.181 1.00 0.00 N ATOM 734 CA ARG A 44 -3.311 -2.003 9.027 1.00 0.00 C ATOM 735 C ARG A 44 -4.416 -3.074 9.087 1.00 0.00 C ATOM 736 O ARG A 44 -5.587 -2.748 9.307 1.00 0.00 O ATOM 737 CB ARG A 44 -3.419 -1.163 7.764 1.00 0.00 C ATOM 738 CG ARG A 44 -2.566 0.095 7.757 1.00 0.00 C ATOM 739 CD ARG A 44 -3.092 1.197 8.602 1.00 0.00 C ATOM 740 NE ARG A 44 -2.570 1.219 9.959 1.00 0.00 N ATOM 741 CZ ARG A 44 -3.211 1.756 11.016 1.00 0.00 C ATOM 742 NH1 ARG A 44 -4.375 2.348 10.874 1.00 0.00 N ATOM 743 NH2 ARG A 44 -2.623 1.692 12.199 1.00 0.00 N ATOM 0 H ARG A 44 -1.403 -2.541 8.338 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.459 -1.330 9.872 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -3.138 -1.779 6.910 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.462 -0.878 7.623 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.562 -0.159 8.097 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.475 0.452 6.731 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.861 2.148 8.122 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.178 1.118 8.645 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.655 0.799 10.122 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.808 2.407 9.952 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.846 2.749 11.685 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.711 1.246 12.292 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.082 2.089 13.019 1.00 0.00 H new ATOM 757 N MET A 45 -4.024 -4.352 8.902 1.00 0.00 N ATOM 758 CA MET A 45 -4.955 -5.499 8.992 1.00 0.00 C ATOM 759 C MET A 45 -5.068 -6.074 10.413 1.00 0.00 C ATOM 760 O MET A 45 -5.958 -6.889 10.659 1.00 0.00 O ATOM 761 CB MET A 45 -4.516 -6.598 8.027 1.00 0.00 C ATOM 762 CG MET A 45 -4.685 -6.248 6.555 1.00 0.00 C ATOM 763 SD MET A 45 -6.397 -5.885 6.119 1.00 0.00 S ATOM 764 CE MET A 45 -7.150 -7.495 6.335 1.00 0.00 C ATOM 0 H MET A 45 -3.063 -4.618 8.688 1.00 0.00 H new ATOM 0 HA MET A 45 -5.942 -5.126 8.721 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.468 -6.831 8.214 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.087 -7.502 8.241 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.063 -5.385 6.317 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.327 -7.077 5.945 1.00 0.00 H new ATOM 0 HE1 MET A 45 -8.137 -7.500 5.873 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.525 -8.255 5.865 1.00 0.00 H new ATOM 0 HE3 MET A 45 -7.247 -7.712 7.399 1.00 0.00 H new ATOM 774 N ASP A 46 -4.207 -5.637 11.345 1.00 0.00 N ATOM 775 CA ASP A 46 -4.196 -6.165 12.735 1.00 0.00 C ATOM 776 C ASP A 46 -5.601 -6.023 13.417 1.00 0.00 C ATOM 777 O ASP A 46 -6.153 -7.040 13.850 1.00 0.00 O ATOM 778 CB ASP A 46 -3.129 -5.446 13.564 1.00 0.00 C ATOM 779 CG ASP A 46 -1.698 -5.854 13.241 1.00 0.00 C ATOM 780 OD1 ASP A 46 -1.521 -6.819 12.535 1.00 0.00 O ATOM 781 OD2 ASP A 46 -0.802 -5.114 13.568 1.00 0.00 O ATOM 0 H ASP A 46 -3.505 -4.918 11.169 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.957 -7.227 12.687 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -3.231 -4.372 13.411 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.318 -5.636 14.620 1.00 0.00 H new ATOM 786 N PRO A 47 -6.227 -4.776 13.509 1.00 0.00 N ATOM 787 CA PRO A 47 -7.596 -4.606 14.100 1.00 0.00 C ATOM 788 C PRO A 47 -8.715 -5.151 13.185 1.00 0.00 C ATOM 789 O PRO A 47 -9.825 -5.440 13.648 1.00 0.00 O ATOM 790 CB PRO A 47 -7.721 -3.067 14.279 1.00 0.00 C ATOM 791 CG PRO A 47 -6.848 -2.497 13.205 1.00 0.00 C ATOM 792 CD PRO A 47 -5.667 -3.435 13.118 1.00 0.00 C ATOM 0 HA PRO A 47 -7.711 -5.165 15.029 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.754 -2.736 14.169 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.390 -2.754 15.269 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -7.378 -2.442 12.254 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.530 -1.484 13.452 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.250 -3.457 12.111 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.865 -3.128 13.789 1.00 0.00 H new ATOM 800 N ILE A 48 -8.388 -5.300 11.890 1.00 0.00 N ATOM 801 CA ILE A 48 -9.355 -5.621 10.823 1.00 0.00 C ATOM 802 C ILE A 48 -9.915 -7.049 11.025 1.00 0.00 C ATOM 803 O ILE A 48 -11.096 -7.318 10.765 1.00 0.00 O ATOM 804 CB ILE A 48 -8.722 -5.510 9.425 1.00 0.00 C ATOM 805 CG1 ILE A 48 -8.206 -4.089 9.183 1.00 0.00 C ATOM 806 CG2 ILE A 48 -9.726 -5.905 8.352 1.00 0.00 C ATOM 807 CD1 ILE A 48 -9.288 -3.034 9.212 1.00 0.00 C ATOM 0 H ILE A 48 -7.432 -5.200 11.549 1.00 0.00 H new ATOM 0 HA ILE A 48 -10.164 -4.894 10.886 1.00 0.00 H new ATOM 0 HB ILE A 48 -7.877 -6.196 9.373 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -7.458 -3.850 9.939 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.704 -4.055 8.216 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -9.261 -5.820 7.370 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -10.046 -6.934 8.515 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -10.591 -5.244 8.402 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -8.846 -2.054 9.033 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -10.025 -3.247 8.437 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -9.775 -3.039 10.187 1.00 0.00 H new ATOM 819 N LYS A 49 -9.045 -7.938 11.536 1.00 0.00 N ATOM 820 CA LYS A 49 -9.381 -9.350 11.775 1.00 0.00 C ATOM 821 C LYS A 49 -10.392 -9.479 12.930 1.00 0.00 C ATOM 822 O LYS A 49 -11.321 -10.289 12.856 1.00 0.00 O ATOM 823 CB LYS A 49 -8.089 -10.167 12.062 1.00 0.00 C ATOM 824 CG LYS A 49 -7.131 -10.234 10.852 1.00 0.00 C ATOM 825 CD LYS A 49 -5.774 -10.915 11.156 1.00 0.00 C ATOM 826 CE LYS A 49 -4.858 -10.956 9.912 1.00 0.00 C ATOM 827 NZ LYS A 49 -3.512 -11.512 10.208 1.00 0.00 N ATOM 0 H LYS A 49 -8.089 -7.696 11.795 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.849 -9.757 10.879 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.565 -9.721 12.908 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.365 -11.180 12.356 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.623 -10.774 10.043 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.945 -9.222 10.493 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.271 -10.378 11.960 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.949 -11.930 11.512 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.332 -11.557 9.136 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.750 -9.948 9.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.940 -11.516 9.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.044 -10.925 10.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.609 -12.484 10.564 1.00 0.00 H new ATOM 841 N LYS A 50 -10.203 -8.657 13.989 1.00 0.00 N ATOM 842 CA LYS A 50 -11.147 -8.576 15.127 1.00 0.00 C ATOM 843 C LYS A 50 -12.517 -8.021 14.682 1.00 0.00 C ATOM 844 O LYS A 50 -13.553 -8.383 15.252 1.00 0.00 O ATOM 845 CB LYS A 50 -10.567 -7.705 16.243 1.00 0.00 C ATOM 846 CG LYS A 50 -11.523 -7.444 17.399 1.00 0.00 C ATOM 847 CD LYS A 50 -10.843 -6.664 18.514 1.00 0.00 C ATOM 848 CE LYS A 50 -10.466 -5.262 18.060 1.00 0.00 C ATOM 849 NZ LYS A 50 -9.825 -4.477 19.149 1.00 0.00 N ATOM 0 H LYS A 50 -9.398 -8.036 14.078 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.296 -9.587 15.506 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.669 -8.185 16.632 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.260 -6.749 15.819 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.389 -6.888 17.039 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.893 -8.392 17.789 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.508 -6.603 19.375 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.949 -7.196 18.839 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.786 -5.327 17.211 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.359 -4.741 17.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.584 -3.528 18.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.483 -4.393 19.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.959 -4.960 19.462 1.00 0.00 H new ATOM 863 N LEU A 51 -12.509 -7.146 13.664 1.00 0.00 N ATOM 864 CA LEU A 51 -13.734 -6.471 13.187 1.00 0.00 C ATOM 865 C LEU A 51 -14.581 -7.476 12.390 1.00 0.00 C ATOM 866 O LEU A 51 -15.817 -7.388 12.361 1.00 0.00 O ATOM 867 CB LEU A 51 -13.387 -5.248 12.328 1.00 0.00 C ATOM 868 CG LEU A 51 -12.710 -4.094 13.078 1.00 0.00 C ATOM 869 CD1 LEU A 51 -12.229 -3.041 12.091 1.00 0.00 C ATOM 870 CD2 LEU A 51 -13.688 -3.492 14.077 1.00 0.00 C ATOM 0 H LEU A 51 -11.666 -6.886 13.152 1.00 0.00 H new ATOM 0 HA LEU A 51 -14.306 -6.115 14.044 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.732 -5.567 11.518 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -14.303 -4.875 11.869 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.844 -4.472 13.621 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -11.750 -2.226 12.633 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.513 -3.489 11.402 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -13.079 -2.653 11.530 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -13.206 -2.672 14.609 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -14.563 -3.116 13.548 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -13.996 -4.256 14.790 1.00 0.00 H new ATOM 882 N GLY A 52 -13.890 -8.442 11.763 1.00 0.00 N ATOM 883 CA GLY A 52 -14.527 -9.632 11.207 1.00 0.00 C ATOM 884 C GLY A 52 -15.122 -9.444 9.821 1.00 0.00 C ATOM 885 O GLY A 52 -15.843 -10.321 9.342 1.00 0.00 O ATOM 0 H GLY A 52 -12.879 -8.414 11.631 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.792 -10.436 11.166 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -15.316 -9.956 11.886 1.00 0.00 H new ATOM 889 N CYS A 53 -14.809 -8.312 9.179 1.00 0.00 N ATOM 890 CA CYS A 53 -15.177 -8.039 7.777 1.00 0.00 C ATOM 891 C CYS A 53 -14.506 -9.070 6.841 1.00 0.00 C ATOM 892 O CYS A 53 -13.288 -9.263 6.913 1.00 0.00 O ATOM 893 CB CYS A 53 -14.730 -6.611 7.426 1.00 0.00 C ATOM 894 SG CYS A 53 -12.964 -6.333 7.762 1.00 0.00 S ATOM 0 H CYS A 53 -14.289 -7.552 9.618 1.00 0.00 H new ATOM 0 HA CYS A 53 -16.256 -8.124 7.648 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -14.931 -6.419 6.372 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -15.322 -5.897 7.998 1.00 0.00 H new ATOM 899 N LYS A 54 -15.323 -9.741 5.994 1.00 0.00 N ATOM 900 CA LYS A 54 -14.831 -10.725 5.003 1.00 0.00 C ATOM 901 C LYS A 54 -14.023 -10.018 3.898 1.00 0.00 C ATOM 902 O LYS A 54 -12.894 -10.410 3.587 1.00 0.00 O ATOM 903 CB LYS A 54 -15.994 -11.506 4.390 1.00 0.00 C ATOM 904 CG LYS A 54 -15.575 -12.575 3.389 1.00 0.00 C ATOM 905 CD LYS A 54 -16.777 -13.358 2.881 1.00 0.00 C ATOM 906 CE LYS A 54 -16.363 -14.402 1.854 1.00 0.00 C ATOM 907 NZ LYS A 54 -17.535 -15.140 1.308 1.00 0.00 N ATOM 0 H LYS A 54 -16.335 -9.616 5.979 1.00 0.00 H new ATOM 0 HA LYS A 54 -14.178 -11.429 5.519 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -16.561 -11.979 5.192 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -16.666 -10.805 3.895 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -15.061 -12.108 2.549 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -14.866 -13.257 3.858 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -17.276 -13.846 3.718 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -17.498 -12.673 2.436 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -15.828 -13.916 1.038 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -15.671 -15.108 2.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -17.210 -15.841 0.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -18.032 -15.625 2.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -18.183 -14.470 0.847 1.00 0.00 H new ATOM 921 N ARG A 55 -14.632 -8.969 3.317 1.00 0.00 N ATOM 922 CA ARG A 55 -14.027 -8.186 2.236 1.00 0.00 C ATOM 923 C ARG A 55 -13.695 -6.785 2.756 1.00 0.00 C ATOM 924 O ARG A 55 -14.437 -6.237 3.578 1.00 0.00 O ATOM 925 CB ARG A 55 -14.892 -8.139 0.985 1.00 0.00 C ATOM 926 CG ARG A 55 -14.240 -7.480 -0.220 1.00 0.00 C ATOM 927 CD ARG A 55 -15.051 -7.537 -1.463 1.00 0.00 C ATOM 928 NE ARG A 55 -15.208 -8.871 -2.019 1.00 0.00 N ATOM 929 CZ ARG A 55 -16.075 -9.194 -2.999 1.00 0.00 C ATOM 930 NH1 ARG A 55 -16.890 -8.296 -3.505 1.00 0.00 N ATOM 931 NH2 ARG A 55 -16.102 -10.446 -3.420 1.00 0.00 N ATOM 0 H ARG A 55 -15.560 -8.643 3.588 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.106 -8.682 1.929 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -15.172 -9.158 0.716 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -15.814 -7.606 1.218 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.035 -6.436 0.018 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -13.279 -7.959 -0.405 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -16.039 -7.124 -1.257 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.588 -6.896 -2.214 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.621 -9.615 -1.641 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -16.873 -7.338 -3.156 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -17.540 -8.557 -4.246 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -15.478 -11.137 -3.005 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -16.747 -10.721 -4.160 1.00 0.00 H new ATOM 945 N VAL A 56 -12.577 -6.221 2.285 1.00 0.00 N ATOM 946 CA VAL A 56 -12.075 -4.911 2.732 1.00 0.00 C ATOM 947 C VAL A 56 -11.659 -4.082 1.515 1.00 0.00 C ATOM 948 O VAL A 56 -11.324 -4.637 0.453 1.00 0.00 O ATOM 949 CB VAL A 56 -10.880 -5.046 3.694 1.00 0.00 C ATOM 950 CG1 VAL A 56 -11.298 -5.767 4.966 1.00 0.00 C ATOM 951 CG2 VAL A 56 -9.733 -5.782 3.018 1.00 0.00 C ATOM 0 H VAL A 56 -11.989 -6.662 1.578 1.00 0.00 H new ATOM 0 HA VAL A 56 -12.881 -4.414 3.273 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.539 -4.046 3.961 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -10.441 -5.853 5.634 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.088 -5.203 5.461 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.665 -6.763 4.716 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.897 -5.868 3.712 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -10.064 -6.778 2.722 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.415 -5.228 2.135 1.00 0.00 H new ATOM 961 N ARG A 57 -11.716 -2.754 1.657 1.00 0.00 N ATOM 962 CA ARG A 57 -11.273 -1.822 0.617 1.00 0.00 C ATOM 963 C ARG A 57 -10.137 -0.967 1.182 1.00 0.00 C ATOM 964 O ARG A 57 -10.293 -0.318 2.217 1.00 0.00 O ATOM 965 CB ARG A 57 -12.406 -0.975 0.056 1.00 0.00 C ATOM 966 CG ARG A 57 -12.029 -0.111 -1.138 1.00 0.00 C ATOM 967 CD ARG A 57 -13.188 0.452 -1.876 1.00 0.00 C ATOM 968 NE ARG A 57 -14.021 -0.539 -2.536 1.00 0.00 N ATOM 969 CZ ARG A 57 -15.242 -0.918 -2.110 1.00 0.00 C ATOM 970 NH1 ARG A 57 -15.760 -0.420 -1.009 1.00 0.00 N ATOM 971 NH2 ARG A 57 -15.898 -1.821 -2.817 1.00 0.00 N ATOM 0 H ARG A 57 -12.071 -2.296 2.496 1.00 0.00 H new ATOM 0 HA ARG A 57 -10.908 -2.396 -0.235 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -13.224 -1.635 -0.235 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -12.784 -0.329 0.848 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -11.400 0.709 -0.793 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -11.429 -0.706 -1.827 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -13.804 1.021 -1.180 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -12.820 1.155 -2.623 1.00 0.00 H new ATOM 0 HE ARG A 57 -13.656 -0.979 -3.381 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -15.236 0.264 -0.463 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -16.686 -0.718 -0.701 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -15.478 -2.212 -3.661 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -16.824 -2.127 -2.519 1.00 0.00 H new ATOM 985 N ILE A 58 -8.989 -0.993 0.496 1.00 0.00 N ATOM 986 CA ILE A 58 -7.764 -0.330 0.952 1.00 0.00 C ATOM 987 C ILE A 58 -7.337 0.673 -0.129 1.00 0.00 C ATOM 988 O ILE A 58 -7.345 0.354 -1.315 1.00 0.00 O ATOM 989 CB ILE A 58 -6.623 -1.328 1.223 1.00 0.00 C ATOM 990 CG1 ILE A 58 -7.059 -2.368 2.259 1.00 0.00 C ATOM 991 CG2 ILE A 58 -5.375 -0.596 1.690 1.00 0.00 C ATOM 992 CD1 ILE A 58 -6.106 -3.534 2.390 1.00 0.00 C ATOM 0 H ILE A 58 -8.884 -1.477 -0.396 1.00 0.00 H new ATOM 0 HA ILE A 58 -7.970 0.173 1.897 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.387 -1.846 0.294 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.159 -1.881 3.229 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.045 -2.745 1.989 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.579 -1.317 1.877 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -5.055 0.106 0.920 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.595 -0.052 2.609 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.481 -4.228 3.142 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.024 -4.047 1.432 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.124 -3.169 2.691 1.00 0.00 H new ATOM 1004 N SER A 59 -6.992 1.883 0.299 1.00 0.00 N ATOM 1005 CA SER A 59 -6.453 2.923 -0.564 1.00 0.00 C ATOM 1006 C SER A 59 -5.040 3.231 -0.077 1.00 0.00 C ATOM 1007 O SER A 59 -4.814 3.465 1.118 1.00 0.00 O ATOM 1008 CB SER A 59 -7.329 4.161 -0.543 1.00 0.00 C ATOM 1009 OG SER A 59 -6.791 5.199 -1.317 1.00 0.00 O ATOM 0 H SER A 59 -7.082 2.171 1.273 1.00 0.00 H new ATOM 0 HA SER A 59 -6.428 2.584 -1.600 1.00 0.00 H new ATOM 0 HB2 SER A 59 -8.322 3.909 -0.915 1.00 0.00 H new ATOM 0 HB3 SER A 59 -7.451 4.501 0.485 1.00 0.00 H new ATOM 0 HG SER A 59 -7.385 5.977 -1.279 1.00 0.00 H new ATOM 1015 N ILE A 60 -4.085 3.160 -1.005 1.00 0.00 N ATOM 1016 CA ILE A 60 -2.676 3.432 -0.731 1.00 0.00 C ATOM 1017 C ILE A 60 -2.236 4.613 -1.589 1.00 0.00 C ATOM 1018 O ILE A 60 -2.313 4.557 -2.823 1.00 0.00 O ATOM 1019 CB ILE A 60 -1.779 2.215 -1.020 1.00 0.00 C ATOM 1020 CG1 ILE A 60 -2.235 1.008 -0.196 1.00 0.00 C ATOM 1021 CG2 ILE A 60 -0.324 2.545 -0.726 1.00 0.00 C ATOM 1022 CD1 ILE A 60 -3.098 0.034 -0.966 1.00 0.00 C ATOM 0 H ILE A 60 -4.271 2.910 -1.976 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.571 3.661 0.330 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.867 1.963 -2.077 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.356 0.483 0.179 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.790 1.362 0.673 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.296 1.674 -0.936 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.005 3.377 -1.354 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.218 2.821 0.323 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.381 -0.794 -0.316 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.995 0.543 -1.318 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.540 -0.350 -1.820 1.00 0.00 H new ATOM 1034 N ARG A 61 -1.826 5.697 -0.933 1.00 0.00 N ATOM 1035 CA ARG A 61 -1.314 6.877 -1.626 1.00 0.00 C ATOM 1036 C ARG A 61 0.176 7.002 -1.328 1.00 0.00 C ATOM 1037 O ARG A 61 0.598 6.846 -0.181 1.00 0.00 O ATOM 1038 CB ARG A 61 -2.077 8.147 -1.282 1.00 0.00 C ATOM 1039 CG ARG A 61 -1.662 9.377 -2.072 1.00 0.00 C ATOM 1040 CD ARG A 61 -2.467 10.591 -1.784 1.00 0.00 C ATOM 1041 NE ARG A 61 -2.262 11.686 -2.718 1.00 0.00 N ATOM 1042 CZ ARG A 61 -2.753 12.930 -2.560 1.00 0.00 C ATOM 1043 NH1 ARG A 61 -3.510 13.232 -1.528 1.00 0.00 N ATOM 1044 NH2 ARG A 61 -2.477 13.834 -3.483 1.00 0.00 N ATOM 0 H ARG A 61 -1.839 5.782 0.083 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.464 6.746 -2.698 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.140 7.970 -1.445 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.948 8.355 -0.220 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.614 9.592 -1.862 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.734 9.152 -3.136 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.523 10.320 -1.787 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.230 10.939 -0.779 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.707 11.499 -3.553 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.733 12.519 -0.833 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.874 14.179 -1.422 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.905 13.582 -4.289 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.836 14.784 -3.389 1.00 0.00 H new ATOM 1058 N VAL A 62 0.965 7.285 -2.362 1.00 0.00 N ATOM 1059 CA VAL A 62 2.421 7.387 -2.249 1.00 0.00 C ATOM 1060 C VAL A 62 2.770 8.890 -2.277 1.00 0.00 C ATOM 1061 O VAL A 62 2.134 9.655 -3.015 1.00 0.00 O ATOM 1062 CB VAL A 62 3.155 6.645 -3.381 1.00 0.00 C ATOM 1063 CG1 VAL A 62 2.923 7.343 -4.713 1.00 0.00 C ATOM 1064 CG2 VAL A 62 4.642 6.554 -3.082 1.00 0.00 C ATOM 0 H VAL A 62 0.613 7.451 -3.305 1.00 0.00 H new ATOM 0 HA VAL A 62 2.747 6.915 -1.322 1.00 0.00 H new ATOM 0 HB VAL A 62 2.754 5.634 -3.446 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.449 6.805 -5.502 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.856 7.359 -4.934 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.298 8.365 -4.658 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.145 6.026 -3.893 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.057 7.558 -2.990 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.793 6.012 -2.148 1.00 0.00 H new ATOM 1074 N LYS A 63 3.710 9.338 -1.426 1.00 0.00 N ATOM 1075 CA LYS A 63 4.082 10.767 -1.375 1.00 0.00 C ATOM 1076 C LYS A 63 5.176 11.058 -2.412 1.00 0.00 C ATOM 1077 O LYS A 63 6.161 10.321 -2.525 1.00 0.00 O ATOM 1078 CB LYS A 63 4.557 11.161 0.024 1.00 0.00 C ATOM 1079 CG LYS A 63 4.901 12.637 0.178 1.00 0.00 C ATOM 1080 CD LYS A 63 5.307 12.964 1.607 1.00 0.00 C ATOM 1081 CE LYS A 63 5.657 14.436 1.762 1.00 0.00 C ATOM 1082 NZ LYS A 63 6.017 14.779 3.164 1.00 0.00 N ATOM 0 H LYS A 63 4.220 8.744 -0.773 1.00 0.00 H new ATOM 0 HA LYS A 63 3.199 11.362 -1.609 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.780 10.904 0.744 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.435 10.567 0.277 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.713 12.896 -0.501 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.042 13.244 -0.106 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.493 12.709 2.285 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.163 12.353 1.892 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.490 14.682 1.103 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.810 15.045 1.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.248 15.791 3.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.214 14.569 3.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.841 14.217 3.458 1.00 0.00 H new ATOM 1096 N HIS A 64 4.981 12.147 -3.149 1.00 0.00 N ATOM 1097 CA HIS A 64 5.912 12.638 -4.161 1.00 0.00 C ATOM 1098 C HIS A 64 6.546 13.943 -3.676 1.00 0.00 C ATOM 1099 O HIS A 64 5.840 14.837 -3.193 1.00 0.00 O ATOM 1100 CB HIS A 64 5.206 12.848 -5.504 1.00 0.00 C ATOM 1101 CG HIS A 64 4.658 11.589 -6.100 1.00 0.00 C ATOM 1102 ND1 HIS A 64 5.468 10.591 -6.601 1.00 0.00 N ATOM 1103 CD2 HIS A 64 3.385 11.166 -6.277 1.00 0.00 C ATOM 1104 CE1 HIS A 64 4.713 9.606 -7.059 1.00 0.00 C ATOM 1105 NE2 HIS A 64 3.447 9.931 -6.875 1.00 0.00 N ATOM 0 H HIS A 64 4.148 12.729 -3.057 1.00 0.00 H new ATOM 0 HA HIS A 64 6.692 11.892 -4.313 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.392 13.560 -5.369 1.00 0.00 H new ATOM 0 HB3 HIS A 64 5.908 13.297 -6.207 1.00 0.00 H new ATOM 0 HD1 HIS A 64 6.488 10.610 -6.616 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.488 11.700 -6.000 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.072 8.691 -7.507 1.00 0.00 H new ATOM 1113 N SER A 65 7.880 14.039 -3.795 1.00 0.00 N ATOM 1114 CA SER A 65 8.669 15.166 -3.266 1.00 0.00 C ATOM 1115 C SER A 65 8.821 16.289 -4.310 1.00 0.00 C ATOM 1116 O SER A 65 8.636 17.470 -3.996 1.00 0.00 O ATOM 1117 CB SER A 65 10.031 14.679 -2.812 1.00 0.00 C ATOM 1118 OG SER A 65 10.840 14.299 -3.892 1.00 0.00 O ATOM 0 H SER A 65 8.446 13.332 -4.264 1.00 0.00 H new ATOM 0 HA SER A 65 8.134 15.580 -2.412 1.00 0.00 H new ATOM 0 HB2 SER A 65 10.528 15.467 -2.247 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.907 13.832 -2.137 1.00 0.00 H new ATOM 0 HG SER A 65 10.296 13.830 -4.559 1.00 0.00 H new ATOM 1124 N ASP A 66 9.167 15.909 -5.550 1.00 0.00 N ATOM 1125 CA ASP A 66 9.462 16.865 -6.644 1.00 0.00 C ATOM 1126 C ASP A 66 8.184 17.098 -7.506 1.00 0.00 C ATOM 1127 O ASP A 66 7.234 17.713 -7.005 1.00 0.00 O ATOM 1128 CB ASP A 66 10.611 16.352 -7.515 1.00 0.00 C ATOM 1129 CG ASP A 66 11.980 16.415 -6.852 1.00 0.00 C ATOM 1130 OD1 ASP A 66 12.095 17.053 -5.832 1.00 0.00 O ATOM 1131 OD2 ASP A 66 12.857 15.703 -7.277 1.00 0.00 O ATOM 0 H ASP A 66 9.252 14.931 -5.829 1.00 0.00 H new ATOM 0 HA ASP A 66 9.768 17.814 -6.205 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.404 15.319 -7.796 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.640 16.934 -8.436 1.00 0.00 H new ATOM 1136 N ALA A 67 8.154 16.554 -8.754 1.00 0.00 N ATOM 1137 CA ALA A 67 7.032 16.669 -9.710 1.00 0.00 C ATOM 1138 C ALA A 67 7.469 16.019 -11.030 1.00 0.00 C ATOM 1139 O ALA A 67 6.940 14.974 -11.425 1.00 0.00 O ATOM 1140 CB ALA A 67 6.600 18.133 -9.945 1.00 0.00 C ATOM 0 H ALA A 67 8.933 16.011 -9.126 1.00 0.00 H new ATOM 0 HA ALA A 67 6.162 16.160 -9.294 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.773 18.159 -10.655 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.281 18.574 -9.001 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.440 18.700 -10.346 1.00 0.00 H new ATOM 1146 N ALA A 68 8.487 16.632 -11.669 1.00 0.00 N ATOM 1147 CA ALA A 68 8.954 16.253 -13.016 1.00 0.00 C ATOM 1148 C ALA A 68 9.474 14.814 -13.017 1.00 0.00 C ATOM 1149 O ALA A 68 9.048 13.987 -13.836 1.00 0.00 O ATOM 1150 CB ALA A 68 10.048 17.218 -13.490 1.00 0.00 C ATOM 0 H ALA A 68 9.010 17.407 -11.262 1.00 0.00 H new ATOM 0 HA ALA A 68 8.112 16.315 -13.706 1.00 0.00 H new ATOM 0 HB1 ALA A 68 10.384 16.927 -14.485 1.00 0.00 H new ATOM 0 HB2 ALA A 68 9.649 18.232 -13.524 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.890 17.182 -12.798 1.00 0.00 H new ATOM 1156 N GLU A 69 10.394 14.529 -12.076 1.00 0.00 N ATOM 1157 CA GLU A 69 10.958 13.185 -11.885 1.00 0.00 C ATOM 1158 C GLU A 69 9.901 12.237 -11.314 1.00 0.00 C ATOM 1159 O GLU A 69 9.872 11.066 -11.664 1.00 0.00 O ATOM 1160 CB GLU A 69 12.177 13.234 -10.962 1.00 0.00 C ATOM 1161 CG GLU A 69 13.407 13.886 -11.579 1.00 0.00 C ATOM 1162 CD GLU A 69 14.553 13.919 -10.607 1.00 0.00 C ATOM 1163 OE1 GLU A 69 14.366 13.517 -9.484 1.00 0.00 O ATOM 1164 OE2 GLU A 69 15.645 14.239 -11.017 1.00 0.00 O ATOM 0 H GLU A 69 10.765 15.225 -11.429 1.00 0.00 H new ATOM 0 HA GLU A 69 11.277 12.810 -12.857 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.909 13.777 -10.055 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.431 12.217 -10.662 1.00 0.00 H new ATOM 0 HG2 GLU A 69 13.702 13.338 -12.474 1.00 0.00 H new ATOM 0 HG3 GLU A 69 13.164 14.901 -11.893 1.00 0.00 H new ATOM 1171 N GLU A 70 9.001 12.786 -10.476 1.00 0.00 N ATOM 1172 CA GLU A 70 7.991 11.997 -9.744 1.00 0.00 C ATOM 1173 C GLU A 70 7.033 11.261 -10.692 1.00 0.00 C ATOM 1174 O GLU A 70 6.454 10.249 -10.308 1.00 0.00 O ATOM 1175 CB GLU A 70 7.192 12.899 -8.801 1.00 0.00 C ATOM 1176 CG GLU A 70 8.028 13.584 -7.728 1.00 0.00 C ATOM 1177 CD GLU A 70 8.569 12.588 -6.740 1.00 0.00 C ATOM 1178 OE1 GLU A 70 8.329 11.417 -6.913 1.00 0.00 O ATOM 1179 OE2 GLU A 70 9.317 12.984 -5.877 1.00 0.00 O ATOM 0 H GLU A 70 8.953 13.787 -10.287 1.00 0.00 H new ATOM 0 HA GLU A 70 8.529 11.246 -9.165 1.00 0.00 H new ATOM 0 HB2 GLU A 70 6.684 13.662 -9.391 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.418 12.303 -8.317 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.853 14.122 -8.195 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.420 14.323 -7.207 1.00 0.00 H new ATOM 1186 N LYS A 71 6.856 11.781 -11.922 1.00 0.00 N ATOM 1187 CA LYS A 71 6.055 11.102 -12.970 1.00 0.00 C ATOM 1188 C LYS A 71 6.654 9.710 -13.279 1.00 0.00 C ATOM 1189 O LYS A 71 5.933 8.713 -13.399 1.00 0.00 O ATOM 1190 CB LYS A 71 5.991 11.948 -14.241 1.00 0.00 C ATOM 1191 CG LYS A 71 5.160 13.218 -14.111 1.00 0.00 C ATOM 1192 CD LYS A 71 5.151 14.008 -15.412 1.00 0.00 C ATOM 1193 CE LYS A 71 4.346 15.292 -15.274 1.00 0.00 C ATOM 1194 NZ LYS A 71 4.350 16.089 -16.530 1.00 0.00 N ATOM 0 H LYS A 71 7.256 12.671 -12.219 1.00 0.00 H new ATOM 0 HA LYS A 71 5.039 10.974 -12.597 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.005 12.220 -14.533 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.580 11.340 -15.047 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.138 12.960 -13.833 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.562 13.838 -13.309 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.174 14.247 -15.702 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.729 13.396 -16.209 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.319 15.049 -15.002 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.757 15.892 -14.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.791 16.955 -16.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.328 16.344 -16.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.934 15.526 -17.300 1.00 0.00 H new ATOM 1208 N LYS A 72 7.985 9.688 -13.395 1.00 0.00 N ATOM 1209 CA LYS A 72 8.789 8.473 -13.591 1.00 0.00 C ATOM 1210 C LYS A 72 8.805 7.608 -12.311 1.00 0.00 C ATOM 1211 O LYS A 72 8.711 6.377 -12.384 1.00 0.00 O ATOM 1212 CB LYS A 72 10.217 8.838 -14.002 1.00 0.00 C ATOM 1213 CG LYS A 72 10.337 9.435 -15.398 1.00 0.00 C ATOM 1214 CD LYS A 72 11.779 9.791 -15.726 1.00 0.00 C ATOM 1215 CE LYS A 72 11.893 10.428 -17.104 1.00 0.00 C ATOM 1216 NZ LYS A 72 13.293 10.815 -17.424 1.00 0.00 N ATOM 0 H LYS A 72 8.550 10.536 -13.354 1.00 0.00 H new ATOM 0 HA LYS A 72 8.331 7.890 -14.391 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.619 9.549 -13.280 1.00 0.00 H new ATOM 0 HB3 LYS A 72 10.837 7.943 -13.948 1.00 0.00 H new ATOM 0 HG2 LYS A 72 9.960 8.724 -16.133 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.715 10.327 -15.469 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.167 10.477 -14.973 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.395 8.893 -15.686 1.00 0.00 H new ATOM 0 HE2 LYS A 72 11.528 9.730 -17.858 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.253 11.309 -17.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 13.327 11.245 -18.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 13.633 11.501 -16.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 13.900 9.970 -17.406 1.00 0.00 H new ATOM 1230 N GLU A 73 8.910 8.273 -11.146 1.00 0.00 N ATOM 1231 CA GLU A 73 8.945 7.603 -9.827 1.00 0.00 C ATOM 1232 C GLU A 73 7.631 6.879 -9.489 1.00 0.00 C ATOM 1233 O GLU A 73 7.668 5.851 -8.823 1.00 0.00 O ATOM 1234 CB GLU A 73 9.269 8.619 -8.729 1.00 0.00 C ATOM 1235 CG GLU A 73 10.638 9.270 -8.858 1.00 0.00 C ATOM 1236 CD GLU A 73 11.732 8.239 -8.891 1.00 0.00 C ATOM 1237 OE1 GLU A 73 11.726 7.367 -8.055 1.00 0.00 O ATOM 1238 OE2 GLU A 73 12.510 8.256 -9.816 1.00 0.00 O ATOM 0 H GLU A 73 8.973 9.289 -11.089 1.00 0.00 H new ATOM 0 HA GLU A 73 9.727 6.845 -9.881 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.507 9.399 -8.736 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.207 8.122 -7.761 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.673 9.870 -9.767 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.800 9.949 -8.021 1.00 0.00 H new ATOM 1245 N ALA A 74 6.483 7.423 -9.930 1.00 0.00 N ATOM 1246 CA ALA A 74 5.165 6.752 -9.770 1.00 0.00 C ATOM 1247 C ALA A 74 5.135 5.439 -10.571 1.00 0.00 C ATOM 1248 O ALA A 74 4.637 4.418 -10.087 1.00 0.00 O ATOM 1249 CB ALA A 74 4.009 7.685 -10.170 1.00 0.00 C ATOM 0 H ALA A 74 6.433 8.326 -10.401 1.00 0.00 H new ATOM 0 HA ALA A 74 5.028 6.510 -8.716 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.060 7.164 -10.041 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.024 8.574 -9.539 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.123 7.979 -11.213 1.00 0.00 H new ATOM 1255 N LYS A 75 5.657 5.494 -11.814 1.00 0.00 N ATOM 1256 CA LYS A 75 5.796 4.317 -12.696 1.00 0.00 C ATOM 1257 C LYS A 75 6.703 3.255 -12.031 1.00 0.00 C ATOM 1258 O LYS A 75 6.417 2.054 -12.081 1.00 0.00 O ATOM 1259 CB LYS A 75 6.363 4.723 -14.058 1.00 0.00 C ATOM 1260 CG LYS A 75 5.410 5.545 -14.915 1.00 0.00 C ATOM 1261 CD LYS A 75 6.046 5.922 -16.245 1.00 0.00 C ATOM 1262 CE LYS A 75 5.105 6.765 -17.091 1.00 0.00 C ATOM 1263 NZ LYS A 75 5.725 7.163 -18.384 1.00 0.00 N ATOM 0 H LYS A 75 5.995 6.359 -12.235 1.00 0.00 H new ATOM 0 HA LYS A 75 4.807 3.887 -12.853 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.277 5.295 -13.902 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.640 3.822 -14.606 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.497 4.977 -15.094 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.123 6.449 -14.378 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.969 6.474 -16.065 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.316 5.018 -16.790 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.191 6.204 -17.285 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.820 7.658 -16.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.051 7.736 -18.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.584 7.720 -18.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.974 6.311 -18.926 1.00 0.00 H new ATOM 1277 N LYS A 76 7.789 3.731 -11.403 1.00 0.00 N ATOM 1278 CA LYS A 76 8.751 2.883 -10.678 1.00 0.00 C ATOM 1279 C LYS A 76 8.074 2.220 -9.460 1.00 0.00 C ATOM 1280 O LYS A 76 8.154 0.996 -9.270 1.00 0.00 O ATOM 1281 CB LYS A 76 9.964 3.701 -10.232 1.00 0.00 C ATOM 1282 CG LYS A 76 10.876 4.144 -11.369 1.00 0.00 C ATOM 1283 CD LYS A 76 12.041 4.975 -10.853 1.00 0.00 C ATOM 1284 CE LYS A 76 12.856 5.559 -11.997 1.00 0.00 C ATOM 1285 NZ LYS A 76 13.962 6.426 -11.507 1.00 0.00 N ATOM 0 H LYS A 76 8.027 4.723 -11.383 1.00 0.00 H new ATOM 0 HA LYS A 76 9.094 2.100 -11.355 1.00 0.00 H new ATOM 0 HB2 LYS A 76 9.615 4.584 -9.697 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.546 3.110 -9.525 1.00 0.00 H new ATOM 0 HG2 LYS A 76 11.256 3.268 -11.895 1.00 0.00 H new ATOM 0 HG3 LYS A 76 10.303 4.726 -12.091 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.664 5.781 -10.224 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.683 4.355 -10.226 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.269 4.749 -12.598 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.202 6.139 -12.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.439 6.871 -12.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.575 7.164 -10.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.646 5.850 -10.976 1.00 0.00 H new ATOM 1299 N PHE A 77 7.369 3.053 -8.674 1.00 0.00 N ATOM 1300 CA PHE A 77 6.726 2.647 -7.412 1.00 0.00 C ATOM 1301 C PHE A 77 5.489 1.762 -7.693 1.00 0.00 C ATOM 1302 O PHE A 77 5.125 0.913 -6.873 1.00 0.00 O ATOM 1303 CB PHE A 77 6.348 3.890 -6.559 1.00 0.00 C ATOM 1304 CG PHE A 77 6.301 3.611 -5.055 1.00 0.00 C ATOM 1305 CD1 PHE A 77 7.484 3.563 -4.317 1.00 0.00 C ATOM 1306 CD2 PHE A 77 5.101 3.380 -4.390 1.00 0.00 C ATOM 1307 CE1 PHE A 77 7.462 3.291 -2.968 1.00 0.00 C ATOM 1308 CE2 PHE A 77 5.086 3.110 -3.036 1.00 0.00 C ATOM 1309 CZ PHE A 77 6.263 3.065 -2.327 1.00 0.00 C ATOM 0 H PHE A 77 7.228 4.038 -8.900 1.00 0.00 H new ATOM 0 HA PHE A 77 7.439 2.056 -6.837 1.00 0.00 H new ATOM 0 HB2 PHE A 77 7.070 4.684 -6.750 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.375 4.259 -6.882 1.00 0.00 H new ATOM 0 HD1 PHE A 77 8.428 3.741 -4.810 1.00 0.00 H new ATOM 0 HD2 PHE A 77 4.171 3.412 -4.939 1.00 0.00 H new ATOM 0 HE1 PHE A 77 8.386 3.255 -2.411 1.00 0.00 H new ATOM 0 HE2 PHE A 77 4.147 2.934 -2.532 1.00 0.00 H new ATOM 0 HZ PHE A 77 6.248 2.853 -1.268 1.00 0.00 H new ATOM 1319 N ALA A 78 4.828 2.010 -8.844 1.00 0.00 N ATOM 1320 CA ALA A 78 3.667 1.224 -9.293 1.00 0.00 C ATOM 1321 C ALA A 78 4.042 -0.258 -9.429 1.00 0.00 C ATOM 1322 O ALA A 78 3.311 -1.132 -8.967 1.00 0.00 O ATOM 1323 CB ALA A 78 3.119 1.779 -10.620 1.00 0.00 C ATOM 0 H ALA A 78 5.087 2.760 -9.485 1.00 0.00 H new ATOM 0 HA ALA A 78 2.881 1.307 -8.543 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.261 1.185 -10.936 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.812 2.816 -10.482 1.00 0.00 H new ATOM 0 HB3 ALA A 78 3.896 1.730 -11.383 1.00 0.00 H new ATOM 1329 N ALA A 79 5.230 -0.505 -10.015 1.00 0.00 N ATOM 1330 CA ALA A 79 5.814 -1.854 -10.125 1.00 0.00 C ATOM 1331 C ALA A 79 6.098 -2.455 -8.733 1.00 0.00 C ATOM 1332 O ALA A 79 5.846 -3.641 -8.499 1.00 0.00 O ATOM 1333 CB ALA A 79 7.097 -1.804 -10.973 1.00 0.00 C ATOM 0 H ALA A 79 5.811 0.226 -10.425 1.00 0.00 H new ATOM 0 HA ALA A 79 5.091 -2.503 -10.620 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.522 -2.805 -11.049 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.860 -1.434 -11.970 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.819 -1.138 -10.501 1.00 0.00 H new ATOM 1339 N ILE A 80 6.599 -1.604 -7.814 1.00 0.00 N ATOM 1340 CA ILE A 80 6.934 -1.992 -6.434 1.00 0.00 C ATOM 1341 C ILE A 80 5.684 -2.439 -5.674 1.00 0.00 C ATOM 1342 O ILE A 80 5.667 -3.535 -5.100 1.00 0.00 O ATOM 1343 CB ILE A 80 7.605 -0.839 -5.665 1.00 0.00 C ATOM 1344 CG1 ILE A 80 8.965 -0.504 -6.285 1.00 0.00 C ATOM 1345 CG2 ILE A 80 7.762 -1.199 -4.196 1.00 0.00 C ATOM 1346 CD1 ILE A 80 9.951 -1.649 -6.250 1.00 0.00 C ATOM 0 H ILE A 80 6.783 -0.621 -8.014 1.00 0.00 H new ATOM 0 HA ILE A 80 7.636 -2.823 -6.502 1.00 0.00 H new ATOM 0 HB ILE A 80 6.967 0.042 -5.736 1.00 0.00 H new ATOM 0 HG12 ILE A 80 8.816 -0.197 -7.320 1.00 0.00 H new ATOM 0 HG13 ILE A 80 9.394 0.348 -5.758 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.238 -0.373 -3.668 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.781 -1.390 -3.761 1.00 0.00 H new ATOM 0 HG23 ILE A 80 8.380 -2.092 -4.104 1.00 0.00 H new ATOM 0 HD11 ILE A 80 10.890 -1.335 -6.707 1.00 0.00 H new ATOM 0 HD12 ILE A 80 10.131 -1.943 -5.216 1.00 0.00 H new ATOM 0 HD13 ILE A 80 9.544 -2.496 -6.802 1.00 0.00 H new ATOM 1358 N LEU A 81 4.622 -1.610 -5.729 1.00 0.00 N ATOM 1359 CA LEU A 81 3.358 -1.877 -5.029 1.00 0.00 C ATOM 1360 C LEU A 81 2.661 -3.102 -5.642 1.00 0.00 C ATOM 1361 O LEU A 81 2.206 -3.977 -4.908 1.00 0.00 O ATOM 1362 CB LEU A 81 2.442 -0.648 -5.087 1.00 0.00 C ATOM 1363 CG LEU A 81 2.760 0.452 -4.066 1.00 0.00 C ATOM 1364 CD1 LEU A 81 1.987 1.719 -4.406 1.00 0.00 C ATOM 1365 CD2 LEU A 81 2.411 -0.034 -2.668 1.00 0.00 C ATOM 0 H LEU A 81 4.621 -0.739 -6.260 1.00 0.00 H new ATOM 0 HA LEU A 81 3.576 -2.090 -3.983 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.498 -0.220 -6.088 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.413 -0.974 -4.937 1.00 0.00 H new ATOM 0 HG LEU A 81 3.825 0.683 -4.100 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.219 2.494 -3.676 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.270 2.062 -5.401 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.918 1.509 -4.385 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.637 0.748 -1.944 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.349 -0.275 -2.621 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.996 -0.924 -2.436 1.00 0.00 H new ATOM 1377 N ASN A 82 2.648 -3.166 -6.990 1.00 0.00 N ATOM 1378 CA ASN A 82 1.987 -4.252 -7.767 1.00 0.00 C ATOM 1379 C ASN A 82 2.615 -5.624 -7.464 1.00 0.00 C ATOM 1380 O ASN A 82 1.902 -6.636 -7.372 1.00 0.00 O ATOM 1381 CB ASN A 82 2.035 -3.979 -9.259 1.00 0.00 C ATOM 1382 CG ASN A 82 1.101 -2.888 -9.705 1.00 0.00 C ATOM 1383 OD1 ASN A 82 0.187 -2.488 -8.974 1.00 0.00 O ATOM 1384 ND2 ASN A 82 1.274 -2.462 -10.930 1.00 0.00 N ATOM 0 H ASN A 82 3.097 -2.465 -7.579 1.00 0.00 H new ATOM 0 HA ASN A 82 0.943 -4.272 -7.454 1.00 0.00 H new ATOM 0 HB2 ASN A 82 3.054 -3.709 -9.537 1.00 0.00 H new ATOM 0 HB3 ASN A 82 1.790 -4.896 -9.795 1.00 0.00 H new ATOM 0 HD21 ASN A 82 0.638 -1.768 -11.323 1.00 0.00 H new ATOM 0 HD22 ASN A 82 2.044 -2.824 -11.492 1.00 0.00 H new ATOM 1391 N LYS A 83 3.952 -5.633 -7.295 1.00 0.00 N ATOM 1392 CA LYS A 83 4.707 -6.829 -6.882 1.00 0.00 C ATOM 1393 C LYS A 83 4.371 -7.227 -5.439 1.00 0.00 C ATOM 1394 O LYS A 83 4.187 -8.409 -5.167 1.00 0.00 O ATOM 1395 CB LYS A 83 6.211 -6.591 -7.023 1.00 0.00 C ATOM 1396 CG LYS A 83 6.716 -6.592 -8.460 1.00 0.00 C ATOM 1397 CD LYS A 83 8.204 -6.283 -8.524 1.00 0.00 C ATOM 1398 CE LYS A 83 8.699 -6.236 -9.962 1.00 0.00 C ATOM 1399 NZ LYS A 83 10.152 -5.925 -10.040 1.00 0.00 N ATOM 0 H LYS A 83 4.537 -4.811 -7.441 1.00 0.00 H new ATOM 0 HA LYS A 83 4.415 -7.648 -7.539 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.460 -5.634 -6.564 1.00 0.00 H new ATOM 0 HB3 LYS A 83 6.742 -7.361 -6.463 1.00 0.00 H new ATOM 0 HG2 LYS A 83 6.525 -7.564 -8.914 1.00 0.00 H new ATOM 0 HG3 LYS A 83 6.164 -5.854 -9.042 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.400 -5.327 -8.039 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.759 -7.041 -7.971 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.507 -7.195 -10.443 1.00 0.00 H new ATOM 0 HE3 LYS A 83 8.137 -5.483 -10.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.449 -5.902 -11.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.333 -4.998 -9.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.691 -6.657 -9.535 1.00 0.00 H new ATOM 1413 N VAL A 84 4.254 -6.228 -4.539 1.00 0.00 N ATOM 1414 CA VAL A 84 3.906 -6.458 -3.119 1.00 0.00 C ATOM 1415 C VAL A 84 2.494 -7.047 -3.010 1.00 0.00 C ATOM 1416 O VAL A 84 2.267 -7.987 -2.245 1.00 0.00 O ATOM 1417 CB VAL A 84 3.978 -5.162 -2.289 1.00 0.00 C ATOM 1418 CG1 VAL A 84 3.340 -5.367 -0.923 1.00 0.00 C ATOM 1419 CG2 VAL A 84 5.420 -4.705 -2.139 1.00 0.00 C ATOM 0 H VAL A 84 4.397 -5.245 -4.773 1.00 0.00 H new ATOM 0 HA VAL A 84 4.638 -7.160 -2.718 1.00 0.00 H new ATOM 0 HB VAL A 84 3.423 -4.385 -2.815 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.400 -4.441 -0.351 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.295 -5.649 -1.048 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.868 -6.158 -0.390 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.452 -3.788 -1.550 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.997 -5.480 -1.635 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.847 -4.518 -3.124 1.00 0.00 H new ATOM 1429 N PHE A 85 1.579 -6.506 -3.829 1.00 0.00 N ATOM 1430 CA PHE A 85 0.179 -6.956 -3.895 1.00 0.00 C ATOM 1431 C PHE A 85 0.115 -8.437 -4.302 1.00 0.00 C ATOM 1432 O PHE A 85 -0.580 -9.224 -3.659 1.00 0.00 O ATOM 1433 CB PHE A 85 -0.618 -6.098 -4.879 1.00 0.00 C ATOM 1434 CG PHE A 85 -0.737 -4.657 -4.470 1.00 0.00 C ATOM 1435 CD1 PHE A 85 -0.599 -4.286 -3.140 1.00 0.00 C ATOM 1436 CD2 PHE A 85 -0.989 -3.672 -5.411 1.00 0.00 C ATOM 1437 CE1 PHE A 85 -0.707 -2.961 -2.763 1.00 0.00 C ATOM 1438 CE2 PHE A 85 -1.097 -2.347 -5.037 1.00 0.00 C ATOM 1439 CZ PHE A 85 -0.957 -1.992 -3.710 1.00 0.00 C ATOM 0 H PHE A 85 1.790 -5.740 -4.468 1.00 0.00 H new ATOM 0 HA PHE A 85 -0.266 -6.845 -2.906 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.143 -6.150 -5.859 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.618 -6.519 -4.987 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.405 -5.040 -2.392 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.102 -3.944 -6.450 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -0.595 -2.685 -1.725 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -1.291 -1.589 -5.782 1.00 0.00 H new ATOM 0 HZ PHE A 85 -1.043 -0.957 -3.415 1.00 0.00 H new ATOM 1449 N ALA A 86 0.907 -8.806 -5.326 1.00 0.00 N ATOM 1450 CA ALA A 86 1.010 -10.196 -5.819 1.00 0.00 C ATOM 1451 C ALA A 86 1.677 -11.116 -4.771 1.00 0.00 C ATOM 1452 O ALA A 86 1.306 -12.289 -4.637 1.00 0.00 O ATOM 1453 CB ALA A 86 1.793 -10.232 -7.139 1.00 0.00 C ATOM 0 H ALA A 86 1.496 -8.148 -5.837 1.00 0.00 H new ATOM 0 HA ALA A 86 0.001 -10.568 -5.994 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.863 -11.261 -7.493 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.278 -9.626 -7.884 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.795 -9.835 -6.978 1.00 0.00 H new ATOM 1459 N GLU A 87 2.622 -10.542 -3.998 1.00 0.00 N ATOM 1460 CA GLU A 87 3.383 -11.259 -2.946 1.00 0.00 C ATOM 1461 C GLU A 87 2.496 -11.519 -1.706 1.00 0.00 C ATOM 1462 O GLU A 87 2.762 -12.438 -0.927 1.00 0.00 O ATOM 1463 CB GLU A 87 4.630 -10.466 -2.546 1.00 0.00 C ATOM 1464 CG GLU A 87 5.758 -10.511 -3.566 1.00 0.00 C ATOM 1465 CD GLU A 87 6.291 -11.908 -3.729 1.00 0.00 C ATOM 1466 OE1 GLU A 87 6.679 -12.494 -2.747 1.00 0.00 O ATOM 1467 OE2 GLU A 87 6.206 -12.432 -4.815 1.00 0.00 O ATOM 0 H GLU A 87 2.883 -9.560 -4.085 1.00 0.00 H new ATOM 0 HA GLU A 87 3.697 -12.220 -3.354 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.347 -9.426 -2.381 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.000 -10.850 -1.596 1.00 0.00 H new ATOM 0 HG2 GLU A 87 5.398 -10.142 -4.526 1.00 0.00 H new ATOM 0 HG3 GLU A 87 6.563 -9.847 -3.251 1.00 0.00 H new ATOM 1474 N LEU A 88 1.424 -10.710 -1.547 1.00 0.00 N ATOM 1475 CA LEU A 88 0.518 -10.760 -0.376 1.00 0.00 C ATOM 1476 C LEU A 88 -0.775 -11.527 -0.726 1.00 0.00 C ATOM 1477 O LEU A 88 -1.588 -11.819 0.159 1.00 0.00 O ATOM 1478 CB LEU A 88 0.189 -9.342 0.110 1.00 0.00 C ATOM 1479 CG LEU A 88 1.371 -8.563 0.700 1.00 0.00 C ATOM 1480 CD1 LEU A 88 0.935 -7.151 1.065 1.00 0.00 C ATOM 1481 CD2 LEU A 88 1.904 -9.296 1.923 1.00 0.00 C ATOM 0 H LEU A 88 1.161 -10.000 -2.231 1.00 0.00 H new ATOM 0 HA LEU A 88 1.025 -11.290 0.430 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.219 -8.774 -0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.596 -9.407 0.864 1.00 0.00 H new ATOM 0 HG LEU A 88 2.167 -8.493 -0.041 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.781 -6.606 1.483 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.578 -6.638 0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.133 -7.197 1.802 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.744 -8.742 2.342 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.115 -9.378 2.670 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.235 -10.293 1.634 1.00 0.00 H new ATOM 1493 N GLY A 89 -0.974 -11.824 -2.029 1.00 0.00 N ATOM 1494 CA GLY A 89 -2.118 -12.634 -2.500 1.00 0.00 C ATOM 1495 C GLY A 89 -3.311 -11.807 -2.983 1.00 0.00 C ATOM 1496 O GLY A 89 -4.443 -12.299 -2.988 1.00 0.00 O ATOM 0 H GLY A 89 -0.353 -11.513 -2.776 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.783 -13.278 -3.313 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.445 -13.286 -1.690 1.00 0.00 H new ATOM 1500 N TYR A 90 -3.056 -10.547 -3.372 1.00 0.00 N ATOM 1501 CA TYR A 90 -4.089 -9.636 -3.912 1.00 0.00 C ATOM 1502 C TYR A 90 -4.218 -9.849 -5.436 1.00 0.00 C ATOM 1503 O TYR A 90 -3.207 -9.981 -6.135 1.00 0.00 O ATOM 1504 CB TYR A 90 -3.735 -8.148 -3.606 1.00 0.00 C ATOM 1505 CG TYR A 90 -3.872 -7.736 -2.127 1.00 0.00 C ATOM 1506 CD1 TYR A 90 -5.121 -7.469 -1.567 1.00 0.00 C ATOM 1507 CD2 TYR A 90 -2.752 -7.638 -1.289 1.00 0.00 C ATOM 1508 CE1 TYR A 90 -5.255 -7.122 -0.239 1.00 0.00 C ATOM 1509 CE2 TYR A 90 -2.884 -7.295 0.042 1.00 0.00 C ATOM 1510 CZ TYR A 90 -4.137 -7.038 0.562 1.00 0.00 C ATOM 1511 OH TYR A 90 -4.275 -6.712 1.889 1.00 0.00 O ATOM 0 H TYR A 90 -2.128 -10.127 -3.322 1.00 0.00 H new ATOM 0 HA TYR A 90 -5.040 -9.862 -3.431 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -2.710 -7.961 -3.926 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -4.379 -7.506 -4.207 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -6.003 -7.535 -2.187 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -1.769 -7.834 -1.692 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -6.233 -6.917 0.172 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -2.011 -7.228 0.674 1.00 0.00 H new ATOM 0 HH TYR A 90 -3.393 -6.696 2.315 1.00 0.00 H new ATOM 1521 N ASN A 91 -5.460 -9.883 -5.938 1.00 0.00 N ATOM 1522 CA ASN A 91 -5.757 -10.041 -7.382 1.00 0.00 C ATOM 1523 C ASN A 91 -5.582 -8.724 -8.146 1.00 0.00 C ATOM 1524 O ASN A 91 -6.231 -7.722 -7.834 1.00 0.00 O ATOM 1525 CB ASN A 91 -7.155 -10.586 -7.608 1.00 0.00 C ATOM 1526 CG ASN A 91 -7.441 -10.945 -9.040 1.00 0.00 C ATOM 1527 OD1 ASN A 91 -6.795 -10.444 -9.968 1.00 0.00 O ATOM 1528 ND2 ASN A 91 -8.458 -11.747 -9.228 1.00 0.00 N ATOM 0 H ASN A 91 -6.295 -9.802 -5.358 1.00 0.00 H new ATOM 0 HA ASN A 91 -5.037 -10.761 -7.770 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -7.295 -11.470 -6.986 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -7.882 -9.845 -7.277 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -8.751 -11.985 -10.175 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -8.957 -12.134 -8.427 1.00 0.00 H new ATOM 1535 N ASP A 92 -4.724 -8.779 -9.181 1.00 0.00 N ATOM 1536 CA ASP A 92 -4.376 -7.637 -10.054 1.00 0.00 C ATOM 1537 C ASP A 92 -5.644 -6.916 -10.552 1.00 0.00 C ATOM 1538 O ASP A 92 -5.665 -5.692 -10.677 1.00 0.00 O ATOM 1539 CB ASP A 92 -3.536 -8.104 -11.244 1.00 0.00 C ATOM 1540 CG ASP A 92 -2.108 -8.498 -10.891 1.00 0.00 C ATOM 1541 OD1 ASP A 92 -1.691 -8.219 -9.792 1.00 0.00 O ATOM 1542 OD2 ASP A 92 -1.501 -9.207 -11.657 1.00 0.00 O ATOM 0 H ASP A 92 -4.240 -9.638 -9.442 1.00 0.00 H new ATOM 0 HA ASP A 92 -3.789 -6.933 -9.464 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.030 -8.956 -11.710 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -3.507 -7.307 -11.987 1.00 0.00 H new ATOM 1547 N SER A 93 -6.692 -7.724 -10.808 1.00 0.00 N ATOM 1548 CA SER A 93 -8.035 -7.258 -11.203 1.00 0.00 C ATOM 1549 C SER A 93 -8.703 -6.343 -10.153 1.00 0.00 C ATOM 1550 O SER A 93 -9.380 -5.371 -10.517 1.00 0.00 O ATOM 1551 CB SER A 93 -8.923 -8.455 -11.482 1.00 0.00 C ATOM 1552 OG SER A 93 -8.472 -9.200 -12.580 1.00 0.00 O ATOM 0 H SER A 93 -6.626 -8.740 -10.744 1.00 0.00 H new ATOM 0 HA SER A 93 -7.908 -6.654 -12.102 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.957 -9.094 -10.600 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.942 -8.115 -11.669 1.00 0.00 H new ATOM 0 HG SER A 93 -9.070 -9.963 -12.726 1.00 0.00 H new ATOM 1558 N ASN A 94 -8.499 -6.650 -8.860 1.00 0.00 N ATOM 1559 CA ASN A 94 -9.036 -5.830 -7.746 1.00 0.00 C ATOM 1560 C ASN A 94 -8.094 -4.657 -7.397 1.00 0.00 C ATOM 1561 O ASN A 94 -8.320 -3.952 -6.414 1.00 0.00 O ATOM 1562 CB ASN A 94 -9.296 -6.673 -6.512 1.00 0.00 C ATOM 1563 CG ASN A 94 -10.462 -7.610 -6.653 1.00 0.00 C ATOM 1564 OD1 ASN A 94 -11.372 -7.385 -7.460 1.00 0.00 O ATOM 1565 ND2 ASN A 94 -10.482 -8.617 -5.817 1.00 0.00 N ATOM 0 H ASN A 94 -7.964 -7.463 -8.554 1.00 0.00 H new ATOM 0 HA ASN A 94 -9.985 -5.417 -8.088 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -8.401 -7.253 -6.284 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -9.473 -6.013 -5.663 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -11.274 -9.260 -5.812 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -9.706 -8.759 -5.171 1.00 0.00 H new ATOM 1572 N VAL A 95 -7.036 -4.462 -8.207 1.00 0.00 N ATOM 1573 CA VAL A 95 -6.079 -3.356 -8.037 1.00 0.00 C ATOM 1574 C VAL A 95 -6.357 -2.311 -9.143 1.00 0.00 C ATOM 1575 O VAL A 95 -6.254 -2.615 -10.334 1.00 0.00 O ATOM 1576 CB VAL A 95 -4.617 -3.830 -8.115 1.00 0.00 C ATOM 1577 CG1 VAL A 95 -3.666 -2.653 -7.952 1.00 0.00 C ATOM 1578 CG2 VAL A 95 -4.341 -4.885 -7.054 1.00 0.00 C ATOM 0 H VAL A 95 -6.822 -5.069 -8.998 1.00 0.00 H new ATOM 0 HA VAL A 95 -6.214 -2.924 -7.045 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.452 -4.275 -9.096 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.636 -3.006 -8.010 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.846 -1.927 -8.745 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.834 -2.181 -6.984 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.302 -5.209 -7.124 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -4.524 -4.463 -6.066 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.999 -5.740 -7.211 1.00 0.00 H new ATOM 1588 N THR A 96 -6.746 -1.095 -8.730 1.00 0.00 N ATOM 1589 CA THR A 96 -7.051 0.017 -9.649 1.00 0.00 C ATOM 1590 C THR A 96 -6.111 1.205 -9.384 1.00 0.00 C ATOM 1591 O THR A 96 -6.082 1.742 -8.274 1.00 0.00 O ATOM 1592 CB THR A 96 -8.511 0.487 -9.513 1.00 0.00 C ATOM 1593 OG1 THR A 96 -9.395 -0.597 -9.825 1.00 0.00 O ATOM 1594 CG2 THR A 96 -8.788 1.649 -10.454 1.00 0.00 C ATOM 0 H THR A 96 -6.859 -0.852 -7.746 1.00 0.00 H new ATOM 0 HA THR A 96 -6.902 -0.354 -10.663 1.00 0.00 H new ATOM 0 HB THR A 96 -8.676 0.817 -8.487 1.00 0.00 H new ATOM 0 HG1 THR A 96 -10.324 -0.297 -9.736 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.825 1.967 -10.344 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.125 2.480 -10.211 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.613 1.334 -11.483 1.00 0.00 H new ATOM 1602 N TRP A 97 -5.330 1.588 -10.402 1.00 0.00 N ATOM 1603 CA TRP A 97 -4.438 2.755 -10.340 1.00 0.00 C ATOM 1604 C TRP A 97 -5.119 4.015 -10.872 1.00 0.00 C ATOM 1605 O TRP A 97 -5.764 3.992 -11.927 1.00 0.00 O ATOM 1606 CB TRP A 97 -3.126 2.488 -11.127 1.00 0.00 C ATOM 1607 CG TRP A 97 -2.092 1.787 -10.297 1.00 0.00 C ATOM 1608 CD1 TRP A 97 -1.844 0.445 -10.227 1.00 0.00 C ATOM 1609 CD2 TRP A 97 -1.187 2.418 -9.385 1.00 0.00 C ATOM 1610 NE1 TRP A 97 -0.847 0.210 -9.322 1.00 0.00 N ATOM 1611 CE2 TRP A 97 -0.420 1.404 -8.798 1.00 0.00 C ATOM 1612 CE3 TRP A 97 -0.954 3.750 -9.015 1.00 0.00 C ATOM 1613 CZ2 TRP A 97 0.564 1.674 -7.861 1.00 0.00 C ATOM 1614 CZ3 TRP A 97 0.028 4.021 -8.083 1.00 0.00 C ATOM 1615 CH2 TRP A 97 0.779 2.985 -7.512 1.00 0.00 C ATOM 0 H TRP A 97 -5.298 1.096 -11.295 1.00 0.00 H new ATOM 0 HA TRP A 97 -4.195 2.920 -9.290 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -3.350 1.886 -12.007 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -2.721 3.435 -11.483 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -2.357 -0.314 -10.799 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -0.478 -0.708 -9.075 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -1.533 4.551 -9.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 1.144 0.878 -7.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 0.219 5.043 -7.791 1.00 0.00 H new ATOM 0 HH2 TRP A 97 1.541 3.222 -6.784 1.00 0.00 H new ATOM 1626 N ASP A 98 -4.960 5.096 -10.109 1.00 0.00 N ATOM 1627 CA ASP A 98 -5.391 6.436 -10.488 1.00 0.00 C ATOM 1628 C ASP A 98 -4.353 7.419 -9.922 1.00 0.00 C ATOM 1629 O ASP A 98 -4.426 7.817 -8.752 1.00 0.00 O ATOM 1630 CB ASP A 98 -6.795 6.744 -9.961 1.00 0.00 C ATOM 1631 CG ASP A 98 -7.354 8.089 -10.407 1.00 0.00 C ATOM 1632 OD1 ASP A 98 -6.638 8.825 -11.044 1.00 0.00 O ATOM 1633 OD2 ASP A 98 -8.531 8.303 -10.245 1.00 0.00 O ATOM 0 H ASP A 98 -4.518 5.061 -9.190 1.00 0.00 H new ATOM 0 HA ASP A 98 -5.451 6.524 -11.573 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -7.473 5.956 -10.288 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.775 6.716 -8.872 1.00 0.00 H new ATOM 1638 N GLY A 99 -3.357 7.740 -10.794 1.00 0.00 N ATOM 1639 CA GLY A 99 -2.255 8.679 -10.511 1.00 0.00 C ATOM 1640 C GLY A 99 -1.293 8.227 -9.401 1.00 0.00 C ATOM 1641 O GLY A 99 -0.647 7.175 -9.494 1.00 0.00 O ATOM 0 H GLY A 99 -3.305 7.340 -11.731 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -1.684 8.834 -11.427 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.680 9.643 -10.234 1.00 0.00 H new ATOM 1645 N ASP A 100 -1.243 9.049 -8.352 1.00 0.00 N ATOM 1646 CA ASP A 100 -0.418 8.867 -7.148 1.00 0.00 C ATOM 1647 C ASP A 100 -1.092 7.956 -6.089 1.00 0.00 C ATOM 1648 O ASP A 100 -0.528 7.711 -5.016 1.00 0.00 O ATOM 1649 CB ASP A 100 -0.093 10.229 -6.529 1.00 0.00 C ATOM 1650 CG ASP A 100 -1.301 10.975 -5.978 1.00 0.00 C ATOM 1651 OD1 ASP A 100 -2.384 10.446 -6.049 1.00 0.00 O ATOM 1652 OD2 ASP A 100 -1.111 11.991 -5.354 1.00 0.00 O ATOM 0 H ASP A 100 -1.802 9.901 -8.313 1.00 0.00 H new ATOM 0 HA ASP A 100 0.499 8.368 -7.462 1.00 0.00 H new ATOM 0 HB2 ASP A 100 0.628 10.086 -5.724 1.00 0.00 H new ATOM 0 HB3 ASP A 100 0.390 10.851 -7.283 1.00 0.00 H new ATOM 1657 N THR A 101 -2.301 7.456 -6.408 1.00 0.00 N ATOM 1658 CA THR A 101 -3.137 6.661 -5.473 1.00 0.00 C ATOM 1659 C THR A 101 -3.603 5.353 -6.144 1.00 0.00 C ATOM 1660 O THR A 101 -4.097 5.376 -7.277 1.00 0.00 O ATOM 1661 CB THR A 101 -4.370 7.451 -4.995 1.00 0.00 C ATOM 1662 OG1 THR A 101 -3.948 8.675 -4.380 1.00 0.00 O ATOM 1663 CG2 THR A 101 -5.170 6.633 -3.992 1.00 0.00 C ATOM 0 H THR A 101 -2.731 7.590 -7.323 1.00 0.00 H new ATOM 0 HA THR A 101 -2.517 6.431 -4.606 1.00 0.00 H new ATOM 0 HB THR A 101 -5.001 7.669 -5.857 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.454 9.215 -5.032 1.00 0.00 H new ATOM 0 HG21 THR A 101 -6.037 7.206 -3.665 1.00 0.00 H new ATOM 0 HG22 THR A 101 -5.503 5.707 -4.461 1.00 0.00 H new ATOM 0 HG23 THR A 101 -4.544 6.399 -3.131 1.00 0.00 H new ATOM 1671 N VAL A 102 -3.428 4.209 -5.441 1.00 0.00 N ATOM 1672 CA VAL A 102 -3.930 2.897 -5.890 1.00 0.00 C ATOM 1673 C VAL A 102 -4.965 2.344 -4.882 1.00 0.00 C ATOM 1674 O VAL A 102 -4.763 2.382 -3.660 1.00 0.00 O ATOM 1675 CB VAL A 102 -2.787 1.878 -6.058 1.00 0.00 C ATOM 1676 CG1 VAL A 102 -2.063 1.665 -4.738 1.00 0.00 C ATOM 1677 CG2 VAL A 102 -3.325 0.558 -6.588 1.00 0.00 C ATOM 0 H VAL A 102 -2.935 4.174 -4.549 1.00 0.00 H new ATOM 0 HA VAL A 102 -4.404 3.045 -6.860 1.00 0.00 H new ATOM 0 HB VAL A 102 -2.075 2.276 -6.781 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -1.259 0.942 -4.876 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -1.645 2.612 -4.395 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -2.765 1.288 -3.994 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -2.504 -0.150 -6.701 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -4.058 0.156 -5.888 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -3.799 0.721 -7.556 1.00 0.00 H new ATOM 1687 N THR A 103 -6.090 1.868 -5.428 1.00 0.00 N ATOM 1688 CA THR A 103 -7.215 1.308 -4.674 1.00 0.00 C ATOM 1689 C THR A 103 -7.235 -0.220 -4.865 1.00 0.00 C ATOM 1690 O THR A 103 -7.363 -0.705 -5.994 1.00 0.00 O ATOM 1691 CB THR A 103 -8.562 1.905 -5.120 1.00 0.00 C ATOM 1692 OG1 THR A 103 -8.554 3.323 -4.904 1.00 0.00 O ATOM 1693 CG2 THR A 103 -9.706 1.285 -4.333 1.00 0.00 C ATOM 0 H THR A 103 -6.246 1.862 -6.436 1.00 0.00 H new ATOM 0 HA THR A 103 -7.079 1.560 -3.622 1.00 0.00 H new ATOM 0 HB THR A 103 -8.704 1.691 -6.179 1.00 0.00 H new ATOM 0 HG1 THR A 103 -9.411 3.702 -5.190 1.00 0.00 H new ATOM 0 HG21 THR A 103 -10.651 1.719 -4.661 1.00 0.00 H new ATOM 0 HG22 THR A 103 -9.723 0.208 -4.502 1.00 0.00 H new ATOM 0 HG23 THR A 103 -9.566 1.483 -3.270 1.00 0.00 H new ATOM 1701 N VAL A 104 -7.070 -0.960 -3.763 1.00 0.00 N ATOM 1702 CA VAL A 104 -7.012 -2.426 -3.775 1.00 0.00 C ATOM 1703 C VAL A 104 -8.161 -2.991 -2.933 1.00 0.00 C ATOM 1704 O VAL A 104 -8.338 -2.605 -1.781 1.00 0.00 O ATOM 1705 CB VAL A 104 -5.670 -2.955 -3.235 1.00 0.00 C ATOM 1706 CG1 VAL A 104 -5.642 -4.476 -3.271 1.00 0.00 C ATOM 1707 CG2 VAL A 104 -4.510 -2.384 -4.037 1.00 0.00 C ATOM 0 H VAL A 104 -6.972 -0.556 -2.832 1.00 0.00 H new ATOM 0 HA VAL A 104 -7.105 -2.753 -4.810 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.566 -2.632 -2.199 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.686 -4.832 -2.886 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -6.451 -4.869 -2.655 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.769 -4.818 -4.298 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.570 -2.769 -3.641 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -4.611 -2.677 -5.082 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.517 -1.297 -3.963 1.00 0.00 H new ATOM 1717 N GLU A 105 -8.945 -3.889 -3.518 1.00 0.00 N ATOM 1718 CA GLU A 105 -10.002 -4.604 -2.805 1.00 0.00 C ATOM 1719 C GLU A 105 -9.482 -6.029 -2.524 1.00 0.00 C ATOM 1720 O GLU A 105 -8.948 -6.686 -3.418 1.00 0.00 O ATOM 1721 CB GLU A 105 -11.299 -4.637 -3.617 1.00 0.00 C ATOM 1722 CG GLU A 105 -11.957 -3.277 -3.803 1.00 0.00 C ATOM 1723 CD GLU A 105 -13.199 -3.383 -4.643 1.00 0.00 C ATOM 1724 OE1 GLU A 105 -13.489 -4.458 -5.110 1.00 0.00 O ATOM 1725 OE2 GLU A 105 -13.920 -2.415 -4.726 1.00 0.00 O ATOM 0 H GLU A 105 -8.867 -4.144 -4.503 1.00 0.00 H new ATOM 0 HA GLU A 105 -10.240 -4.095 -1.871 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -11.089 -5.063 -4.598 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -12.005 -5.305 -3.124 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -12.208 -2.856 -2.830 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -11.253 -2.591 -4.275 1.00 0.00 H new ATOM 1732 N GLY A 106 -9.595 -6.462 -1.261 1.00 0.00 N ATOM 1733 CA GLY A 106 -9.125 -7.784 -0.839 1.00 0.00 C ATOM 1734 C GLY A 106 -10.091 -8.443 0.126 1.00 0.00 C ATOM 1735 O GLY A 106 -11.114 -7.852 0.493 1.00 0.00 O ATOM 0 H GLY A 106 -10.011 -5.910 -0.511 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -8.995 -8.420 -1.715 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -8.147 -7.689 -0.366 1.00 0.00 H new ATOM 1739 N GLN A 107 -9.749 -9.664 0.554 1.00 0.00 N ATOM 1740 CA GLN A 107 -10.566 -10.466 1.473 1.00 0.00 C ATOM 1741 C GLN A 107 -9.664 -11.185 2.495 1.00 0.00 C ATOM 1742 O GLN A 107 -8.569 -11.655 2.151 1.00 0.00 O ATOM 1743 CB GLN A 107 -11.403 -11.489 0.701 1.00 0.00 C ATOM 1744 CG GLN A 107 -12.491 -10.876 -0.165 1.00 0.00 C ATOM 1745 CD GLN A 107 -13.306 -11.924 -0.898 1.00 0.00 C ATOM 1746 OE1 GLN A 107 -14.131 -11.600 -1.756 1.00 0.00 O ATOM 1747 NE2 GLN A 107 -13.081 -13.189 -0.561 1.00 0.00 N ATOM 0 H GLN A 107 -8.887 -10.129 0.269 1.00 0.00 H new ATOM 0 HA GLN A 107 -11.243 -9.797 2.004 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -10.741 -12.081 0.069 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -11.863 -12.176 1.411 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -13.153 -10.276 0.459 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -12.037 -10.200 -0.890 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -12.389 -13.411 0.155 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -13.600 -13.939 -1.018 1.00 0.00 H new