USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 688 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 41 THR OG1 : rot 88:sc= 0.809 USER MOD Set 1.2: A 46 MET CE :methyl 167:sc= -0.126 (180deg=-0.531) USER MOD Set 2.1: A 18 MET CE :methyl 173:sc= -0.0989 (180deg=-0.147) USER MOD Set 2.2: A 20 LYS NZ :NH3+ -122:sc= 0.104 (180deg=-0.181) USER MOD Set 3.1: A 10 THR OG1 : rot -35:sc= 0.536 USER MOD Set 3.2: A 80 HIS : no HE2:sc= -0.137 K(o=0.4,f=-0.3) USER MOD Single : A 1 MET CE :methyl -141:sc= -0.217 (180deg=-0.9) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 100:sc= -0.233 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0377 USER MOD Single : A 12 ASN : amide:sc= -0.708! C(o=-0.71!,f=-9.8!) USER MOD Single : A 14 THR OG1 : rot -153:sc= -1.09 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -127:sc= 0 (180deg=-1.2) USER MOD Single : A 27 SER OG : rot 180:sc= -0.0307 USER MOD Single : A 29 ASN : amide:sc= -2.59! C(o=-2.6!,f=-3.9!) USER MOD Single : A 32 LYS NZ :NH3+ 158:sc= 0.123! (180deg=-1.3!) USER MOD Single : A 33 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0157) USER MOD Single : A 34 LYS NZ :NH3+ -154:sc= 1.24 (180deg=0.79) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.00483 USER MOD Single : A 45 SER OG : rot -140:sc= -1.5! USER MOD Single : A 49 GLN : amide:sc= -2.52! K(o=-2.5!,f=-1.2) USER MOD Single : A 56 GLN : amide:sc= 0.979 K(o=0.98,f=-17!) USER MOD Single : A 58 LYS NZ :NH3+ 157:sc= 0.467 (180deg=0.272) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -149:sc= 1.26 (180deg=1.16) USER MOD Single : A 77 TYR OH : rot -118:sc= 2.22 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0.132 X(o=0.13,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.430 0.720 -3.546 1.00 0.00 N ATOM 2 CA MET A 1 -20.691 1.328 -4.651 1.00 0.00 C ATOM 3 C MET A 1 -19.437 0.516 -4.866 1.00 0.00 C ATOM 4 O MET A 1 -18.510 0.560 -4.062 1.00 0.00 O ATOM 5 CB MET A 1 -20.371 2.791 -4.318 1.00 0.00 C ATOM 6 CG MET A 1 -19.638 3.555 -5.404 1.00 0.00 C ATOM 7 SD MET A 1 -19.369 5.291 -4.959 1.00 0.00 S ATOM 8 CE MET A 1 -21.068 5.869 -4.792 1.00 0.00 C ATOM 0 H1 MET A 1 -22.302 1.259 -3.373 1.00 0.00 H new ATOM 0 H2 MET A 1 -21.672 -0.262 -3.789 1.00 0.00 H new ATOM 0 H3 MET A 1 -20.842 0.729 -2.688 1.00 0.00 H new ATOM 0 HA MET A 1 -21.280 1.328 -5.568 1.00 0.00 H new ATOM 0 HB2 MET A 1 -21.304 3.309 -4.098 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.770 2.817 -3.409 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.677 3.078 -5.596 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.210 3.504 -6.331 1.00 0.00 H new ATOM 0 HE1 MET A 1 -21.151 6.877 -5.199 1.00 0.00 H new ATOM 0 HE2 MET A 1 -21.735 5.201 -5.337 1.00 0.00 H new ATOM 0 HE3 MET A 1 -21.347 5.879 -3.738 1.00 0.00 H new ATOM 18 N THR A 2 -19.403 -0.225 -5.932 1.00 0.00 N ATOM 19 CA THR A 2 -18.375 -1.194 -6.104 1.00 0.00 C ATOM 20 C THR A 2 -17.107 -0.658 -6.782 1.00 0.00 C ATOM 21 O THR A 2 -17.115 -0.240 -7.943 1.00 0.00 O ATOM 22 CB THR A 2 -18.905 -2.498 -6.796 1.00 0.00 C ATOM 23 OG1 THR A 2 -17.862 -3.470 -6.907 1.00 0.00 O ATOM 24 CG2 THR A 2 -19.495 -2.221 -8.175 1.00 0.00 C ATOM 0 H THR A 2 -20.079 -0.174 -6.694 1.00 0.00 H new ATOM 0 HA THR A 2 -18.065 -1.458 -5.093 1.00 0.00 H new ATOM 0 HB THR A 2 -19.702 -2.888 -6.163 1.00 0.00 H new ATOM 0 HG1 THR A 2 -18.212 -4.277 -7.339 1.00 0.00 H new ATOM 0 HG21 THR A 2 -19.848 -3.154 -8.614 1.00 0.00 H new ATOM 0 HG22 THR A 2 -20.329 -1.526 -8.081 1.00 0.00 H new ATOM 0 HG23 THR A 2 -18.730 -1.785 -8.817 1.00 0.00 H new ATOM 32 N GLU A 3 -16.058 -0.638 -5.988 1.00 0.00 N ATOM 33 CA GLU A 3 -14.671 -0.403 -6.364 1.00 0.00 C ATOM 34 C GLU A 3 -13.824 -0.941 -5.293 1.00 0.00 C ATOM 35 O GLU A 3 -13.679 -0.342 -4.237 1.00 0.00 O ATOM 36 CB GLU A 3 -14.271 1.039 -6.668 1.00 0.00 C ATOM 37 CG GLU A 3 -14.707 1.527 -8.010 1.00 0.00 C ATOM 38 CD GLU A 3 -14.201 2.905 -8.324 1.00 0.00 C ATOM 39 OE1 GLU A 3 -14.890 3.895 -8.001 1.00 0.00 O ATOM 40 OE2 GLU A 3 -13.097 3.024 -8.905 1.00 0.00 O ATOM 0 H GLU A 3 -16.155 -0.797 -4.985 1.00 0.00 H new ATOM 0 HA GLU A 3 -14.533 -0.908 -7.320 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.693 1.690 -5.903 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.187 1.126 -6.597 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -14.356 0.834 -8.775 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -15.796 1.526 -8.055 1.00 0.00 H new ATOM 47 N VAL A 4 -13.307 -2.075 -5.543 1.00 0.00 N ATOM 48 CA VAL A 4 -12.538 -2.821 -4.577 1.00 0.00 C ATOM 49 C VAL A 4 -11.377 -3.520 -5.229 1.00 0.00 C ATOM 50 O VAL A 4 -11.473 -3.995 -6.369 1.00 0.00 O ATOM 51 CB VAL A 4 -13.416 -3.857 -3.804 1.00 0.00 C ATOM 52 CG1 VAL A 4 -14.324 -3.173 -2.795 1.00 0.00 C ATOM 53 CG2 VAL A 4 -14.267 -4.649 -4.782 1.00 0.00 C ATOM 0 H VAL A 4 -13.397 -2.543 -6.445 1.00 0.00 H new ATOM 0 HA VAL A 4 -12.156 -2.098 -3.857 1.00 0.00 H new ATOM 0 HB VAL A 4 -12.743 -4.526 -3.268 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -14.921 -3.923 -2.275 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -13.718 -2.627 -2.072 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -14.985 -2.478 -3.313 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -14.876 -5.369 -4.235 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -14.917 -3.969 -5.333 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -13.620 -5.179 -5.481 1.00 0.00 H new ATOM 63 N TYR A 5 -10.281 -3.544 -4.532 1.00 0.00 N ATOM 64 CA TYR A 5 -9.079 -4.203 -5.000 1.00 0.00 C ATOM 65 C TYR A 5 -8.699 -5.358 -4.100 1.00 0.00 C ATOM 66 O TYR A 5 -8.678 -5.224 -2.870 1.00 0.00 O ATOM 67 CB TYR A 5 -7.916 -3.221 -5.088 1.00 0.00 C ATOM 68 CG TYR A 5 -8.171 -2.056 -6.004 1.00 0.00 C ATOM 69 CD1 TYR A 5 -8.619 -2.261 -7.296 1.00 0.00 C ATOM 70 CD2 TYR A 5 -7.950 -0.758 -5.587 1.00 0.00 C ATOM 71 CE1 TYR A 5 -8.842 -1.214 -8.145 1.00 0.00 C ATOM 72 CE2 TYR A 5 -8.173 0.300 -6.438 1.00 0.00 C ATOM 73 CZ TYR A 5 -8.621 0.061 -7.715 1.00 0.00 C ATOM 74 OH TYR A 5 -8.843 1.104 -8.572 1.00 0.00 O ATOM 0 H TYR A 5 -10.186 -3.107 -3.615 1.00 0.00 H new ATOM 0 HA TYR A 5 -9.292 -4.591 -5.996 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -7.695 -2.844 -4.089 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -7.029 -3.753 -5.431 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -8.796 -3.269 -7.641 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -7.599 -0.572 -4.583 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -9.191 -1.395 -9.151 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -7.997 1.312 -6.104 1.00 0.00 H new ATOM 0 HH TYR A 5 -9.714 1.509 -8.376 1.00 0.00 H new ATOM 84 N ASP A 6 -8.439 -6.489 -4.713 1.00 0.00 N ATOM 85 CA ASP A 6 -7.952 -7.660 -4.008 1.00 0.00 C ATOM 86 C ASP A 6 -6.469 -7.522 -3.840 1.00 0.00 C ATOM 87 O ASP A 6 -5.716 -7.394 -4.828 1.00 0.00 O ATOM 88 CB ASP A 6 -8.263 -8.913 -4.786 1.00 0.00 C ATOM 89 CG ASP A 6 -7.832 -10.184 -4.088 1.00 0.00 C ATOM 90 OD1 ASP A 6 -8.624 -10.737 -3.311 1.00 0.00 O ATOM 91 OD2 ASP A 6 -6.707 -10.664 -4.333 1.00 0.00 O ATOM 0 H ASP A 6 -8.558 -6.627 -5.717 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.441 -7.734 -3.036 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -9.336 -8.957 -4.973 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -7.772 -8.858 -5.758 1.00 0.00 H new ATOM 96 N LEU A 7 -6.065 -7.524 -2.633 1.00 0.00 N ATOM 97 CA LEU A 7 -4.715 -7.273 -2.267 1.00 0.00 C ATOM 98 C LEU A 7 -4.152 -8.391 -1.416 1.00 0.00 C ATOM 99 O LEU A 7 -4.883 -9.067 -0.685 1.00 0.00 O ATOM 100 CB LEU A 7 -4.667 -5.982 -1.461 1.00 0.00 C ATOM 101 CG LEU A 7 -5.145 -4.711 -2.165 1.00 0.00 C ATOM 102 CD1 LEU A 7 -5.096 -3.527 -1.218 1.00 0.00 C ATOM 103 CD2 LEU A 7 -4.304 -4.437 -3.400 1.00 0.00 C ATOM 0 H LEU A 7 -6.679 -7.706 -1.839 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.119 -7.199 -3.177 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.269 -6.120 -0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.639 -5.823 -1.135 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.179 -4.860 -2.477 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.440 -2.632 -1.737 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.741 -3.720 -0.361 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.072 -3.377 -0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.659 -3.529 -3.888 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -3.261 -4.309 -3.109 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.388 -5.276 -4.091 1.00 0.00 H new ATOM 115 N GLU A 8 -2.859 -8.566 -1.504 1.00 0.00 N ATOM 116 CA GLU A 8 -2.150 -9.501 -0.670 1.00 0.00 C ATOM 117 C GLU A 8 -1.317 -8.691 0.288 1.00 0.00 C ATOM 118 O GLU A 8 -0.491 -7.892 -0.124 1.00 0.00 O ATOM 119 CB GLU A 8 -1.248 -10.405 -1.504 1.00 0.00 C ATOM 120 CG GLU A 8 -0.489 -11.442 -0.688 1.00 0.00 C ATOM 121 CD GLU A 8 0.465 -12.252 -1.522 1.00 0.00 C ATOM 122 OE1 GLU A 8 0.036 -13.251 -2.139 1.00 0.00 O ATOM 123 OE2 GLU A 8 1.658 -11.912 -1.565 1.00 0.00 O ATOM 0 H GLU A 8 -2.265 -8.060 -2.161 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.854 -10.143 -0.141 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.854 -10.918 -2.251 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.531 -9.787 -2.045 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.065 -10.940 0.105 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.201 -12.111 -0.205 1.00 0.00 H new ATOM 130 N ILE A 9 -1.552 -8.870 1.532 1.00 0.00 N ATOM 131 CA ILE A 9 -0.877 -8.135 2.551 1.00 0.00 C ATOM 132 C ILE A 9 0.266 -8.968 3.067 1.00 0.00 C ATOM 133 O ILE A 9 0.099 -10.159 3.365 1.00 0.00 O ATOM 134 CB ILE A 9 -1.828 -7.799 3.733 1.00 0.00 C ATOM 135 CG1 ILE A 9 -3.103 -7.072 3.251 1.00 0.00 C ATOM 136 CG2 ILE A 9 -1.110 -6.978 4.805 1.00 0.00 C ATOM 137 CD1 ILE A 9 -2.853 -5.757 2.538 1.00 0.00 C ATOM 0 H ILE A 9 -2.231 -9.543 1.886 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.519 -7.198 2.124 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.135 -8.746 4.178 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.651 -7.734 2.581 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.746 -6.886 4.111 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.801 -6.758 5.619 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.263 -7.545 5.191 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.753 -6.044 4.370 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.805 -5.320 2.237 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.335 -5.072 3.209 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.239 -5.933 1.655 1.00 0.00 H new ATOM 149 N THR A 10 1.402 -8.364 3.147 1.00 0.00 N ATOM 150 CA THR A 10 2.576 -8.995 3.653 1.00 0.00 C ATOM 151 C THR A 10 3.279 -8.076 4.613 1.00 0.00 C ATOM 152 O THR A 10 3.040 -6.862 4.627 1.00 0.00 O ATOM 153 CB THR A 10 3.561 -9.385 2.533 1.00 0.00 C ATOM 154 OG1 THR A 10 3.840 -8.253 1.684 1.00 0.00 O ATOM 155 CG2 THR A 10 3.050 -10.546 1.717 1.00 0.00 C ATOM 0 H THR A 10 1.545 -7.397 2.857 1.00 0.00 H new ATOM 0 HA THR A 10 2.254 -9.906 4.157 1.00 0.00 H new ATOM 0 HB THR A 10 4.488 -9.702 3.010 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.036 -7.698 1.604 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.773 -10.790 0.939 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.908 -11.411 2.364 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.099 -10.277 1.258 1.00 0.00 H new ATOM 163 N THR A 11 4.122 -8.630 5.405 1.00 0.00 N ATOM 164 CA THR A 11 4.910 -7.902 6.331 1.00 0.00 C ATOM 165 C THR A 11 6.177 -8.703 6.481 1.00 0.00 C ATOM 166 O THR A 11 6.230 -9.859 6.080 1.00 0.00 O ATOM 167 CB THR A 11 4.215 -7.773 7.714 1.00 0.00 C ATOM 168 OG1 THR A 11 2.844 -7.398 7.543 1.00 0.00 O ATOM 169 CG2 THR A 11 4.876 -6.697 8.582 1.00 0.00 C ATOM 0 H THR A 11 4.288 -9.636 5.428 1.00 0.00 H new ATOM 0 HA THR A 11 5.082 -6.886 5.976 1.00 0.00 H new ATOM 0 HB THR A 11 4.302 -8.744 8.202 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.414 -7.321 8.420 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.362 -6.637 9.541 1.00 0.00 H new ATOM 0 HG22 THR A 11 5.922 -6.954 8.747 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.815 -5.733 8.076 1.00 0.00 H new ATOM 177 N ASN A 12 7.139 -8.120 7.035 1.00 0.00 N ATOM 178 CA ASN A 12 8.435 -8.720 7.213 1.00 0.00 C ATOM 179 C ASN A 12 8.467 -9.543 8.497 1.00 0.00 C ATOM 180 O ASN A 12 9.317 -10.405 8.675 1.00 0.00 O ATOM 181 CB ASN A 12 9.503 -7.623 7.274 1.00 0.00 C ATOM 182 CG ASN A 12 9.333 -6.679 8.464 1.00 0.00 C ATOM 183 OD1 ASN A 12 8.226 -6.421 8.929 1.00 0.00 O ATOM 184 ND2 ASN A 12 10.411 -6.154 8.935 1.00 0.00 N ATOM 0 H ASN A 12 7.076 -7.171 7.404 1.00 0.00 H new ATOM 0 HA ASN A 12 8.638 -9.380 6.370 1.00 0.00 H new ATOM 0 HB2 ASN A 12 10.488 -8.087 7.325 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.471 -7.043 6.352 1.00 0.00 H new ATOM 0 HD21 ASN A 12 10.361 -5.502 9.718 1.00 0.00 H new ATOM 0 HD22 ASN A 12 11.315 -6.390 8.525 1.00 0.00 H new ATOM 191 N ALA A 13 7.528 -9.265 9.378 1.00 0.00 N ATOM 192 CA ALA A 13 7.438 -9.935 10.653 1.00 0.00 C ATOM 193 C ALA A 13 6.625 -11.217 10.545 1.00 0.00 C ATOM 194 O ALA A 13 6.817 -12.161 11.312 1.00 0.00 O ATOM 195 CB ALA A 13 6.821 -8.999 11.683 1.00 0.00 C ATOM 0 H ALA A 13 6.803 -8.564 9.226 1.00 0.00 H new ATOM 0 HA ALA A 13 8.444 -10.207 10.972 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.755 -9.509 12.644 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.443 -8.110 11.786 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.822 -8.707 11.358 1.00 0.00 H new ATOM 201 N THR A 14 5.739 -11.247 9.589 1.00 0.00 N ATOM 202 CA THR A 14 4.863 -12.358 9.384 1.00 0.00 C ATOM 203 C THR A 14 5.370 -13.264 8.259 1.00 0.00 C ATOM 204 O THR A 14 6.172 -12.836 7.421 1.00 0.00 O ATOM 205 CB THR A 14 3.456 -11.828 9.059 1.00 0.00 C ATOM 206 OG1 THR A 14 3.566 -10.818 8.042 1.00 0.00 O ATOM 207 CG2 THR A 14 2.802 -11.230 10.301 1.00 0.00 C ATOM 0 H THR A 14 5.606 -10.487 8.922 1.00 0.00 H new ATOM 0 HA THR A 14 4.830 -12.958 10.293 1.00 0.00 H new ATOM 0 HB THR A 14 2.837 -12.654 8.709 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.816 -10.192 8.120 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.808 -10.862 10.047 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.719 -11.995 11.073 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.411 -10.405 10.671 1.00 0.00 H new ATOM 215 N ASP A 15 4.948 -14.514 8.277 1.00 0.00 N ATOM 216 CA ASP A 15 5.296 -15.478 7.219 1.00 0.00 C ATOM 217 C ASP A 15 4.073 -15.826 6.401 1.00 0.00 C ATOM 218 O ASP A 15 4.157 -16.530 5.391 1.00 0.00 O ATOM 219 CB ASP A 15 5.885 -16.778 7.797 1.00 0.00 C ATOM 220 CG ASP A 15 7.243 -16.625 8.417 1.00 0.00 C ATOM 221 OD1 ASP A 15 8.255 -16.778 7.698 1.00 0.00 O ATOM 222 OD2 ASP A 15 7.337 -16.371 9.634 1.00 0.00 O ATOM 0 H ASP A 15 4.358 -14.900 9.014 1.00 0.00 H new ATOM 0 HA ASP A 15 6.049 -15.001 6.591 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.199 -17.170 8.548 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.945 -17.520 7.001 1.00 0.00 H new ATOM 227 N PHE A 16 2.943 -15.350 6.850 1.00 0.00 N ATOM 228 CA PHE A 16 1.682 -15.630 6.208 1.00 0.00 C ATOM 229 C PHE A 16 1.238 -14.455 5.336 1.00 0.00 C ATOM 230 O PHE A 16 1.072 -13.340 5.832 1.00 0.00 O ATOM 231 CB PHE A 16 0.621 -15.929 7.284 1.00 0.00 C ATOM 232 CG PHE A 16 -0.773 -16.200 6.770 1.00 0.00 C ATOM 233 CD1 PHE A 16 -1.113 -17.439 6.262 1.00 0.00 C ATOM 234 CD2 PHE A 16 -1.745 -15.207 6.809 1.00 0.00 C ATOM 235 CE1 PHE A 16 -2.392 -17.687 5.800 1.00 0.00 C ATOM 236 CE2 PHE A 16 -3.023 -15.449 6.350 1.00 0.00 C ATOM 237 CZ PHE A 16 -3.347 -16.692 5.846 1.00 0.00 C ATOM 0 H PHE A 16 2.868 -14.754 7.675 1.00 0.00 H new ATOM 0 HA PHE A 16 1.801 -16.498 5.560 1.00 0.00 H new ATOM 0 HB2 PHE A 16 0.950 -16.792 7.862 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.578 -15.083 7.970 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.371 -18.223 6.225 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.496 -14.233 7.204 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.644 -18.659 5.403 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.768 -14.668 6.385 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.347 -16.886 5.488 1.00 0.00 H new ATOM 247 N PRO A 17 1.088 -14.673 4.027 1.00 0.00 N ATOM 248 CA PRO A 17 0.509 -13.679 3.131 1.00 0.00 C ATOM 249 C PRO A 17 -0.994 -13.639 3.359 1.00 0.00 C ATOM 250 O PRO A 17 -1.659 -14.679 3.333 1.00 0.00 O ATOM 251 CB PRO A 17 0.811 -14.215 1.722 1.00 0.00 C ATOM 252 CG PRO A 17 1.709 -15.398 1.917 1.00 0.00 C ATOM 253 CD PRO A 17 1.479 -15.889 3.316 1.00 0.00 C ATOM 0 HA PRO A 17 0.904 -12.675 3.283 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.107 -14.502 1.208 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.295 -13.454 1.110 1.00 0.00 H new ATOM 0 HG2 PRO A 17 1.483 -16.179 1.191 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.753 -15.120 1.771 1.00 0.00 H new ATOM 0 HD2 PRO A 17 0.698 -16.649 3.355 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.378 -16.334 3.741 1.00 0.00 H new ATOM 261 N MET A 18 -1.524 -12.480 3.582 1.00 0.00 N ATOM 262 CA MET A 18 -2.922 -12.353 3.933 1.00 0.00 C ATOM 263 C MET A 18 -3.659 -11.615 2.840 1.00 0.00 C ATOM 264 O MET A 18 -3.326 -10.499 2.528 1.00 0.00 O ATOM 265 CB MET A 18 -3.009 -11.587 5.257 1.00 0.00 C ATOM 266 CG MET A 18 -4.403 -11.369 5.809 1.00 0.00 C ATOM 267 SD MET A 18 -4.357 -10.440 7.358 1.00 0.00 S ATOM 268 CE MET A 18 -6.086 -10.350 7.775 1.00 0.00 C ATOM 0 H MET A 18 -1.016 -11.597 3.530 1.00 0.00 H new ATOM 0 HA MET A 18 -3.382 -13.335 4.044 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.424 -12.124 6.004 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.537 -10.614 5.122 1.00 0.00 H new ATOM 0 HG2 MET A 18 -5.006 -10.831 5.078 1.00 0.00 H new ATOM 0 HG3 MET A 18 -4.886 -12.332 5.974 1.00 0.00 H new ATOM 0 HE1 MET A 18 -6.199 -9.914 8.768 1.00 0.00 H new ATOM 0 HE2 MET A 18 -6.605 -9.729 7.045 1.00 0.00 H new ATOM 0 HE3 MET A 18 -6.515 -11.352 7.768 1.00 0.00 H new ATOM 278 N GLU A 19 -4.655 -12.227 2.274 1.00 0.00 N ATOM 279 CA GLU A 19 -5.399 -11.598 1.206 1.00 0.00 C ATOM 280 C GLU A 19 -6.654 -10.957 1.723 1.00 0.00 C ATOM 281 O GLU A 19 -7.405 -11.555 2.513 1.00 0.00 O ATOM 282 CB GLU A 19 -5.722 -12.580 0.096 1.00 0.00 C ATOM 283 CG GLU A 19 -4.501 -13.145 -0.597 1.00 0.00 C ATOM 284 CD GLU A 19 -4.865 -14.107 -1.686 1.00 0.00 C ATOM 285 OE1 GLU A 19 -5.045 -13.675 -2.849 1.00 0.00 O ATOM 286 OE2 GLU A 19 -4.982 -15.313 -1.403 1.00 0.00 O ATOM 0 H GLU A 19 -4.977 -13.161 2.528 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.763 -10.818 0.788 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.306 -13.402 0.510 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.350 -12.084 -0.644 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.913 -12.329 -1.017 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.870 -13.649 0.135 1.00 0.00 H new ATOM 293 N LYS A 20 -6.860 -9.740 1.309 1.00 0.00 N ATOM 294 CA LYS A 20 -7.975 -8.957 1.668 1.00 0.00 C ATOM 295 C LYS A 20 -8.377 -8.069 0.517 1.00 0.00 C ATOM 296 O LYS A 20 -7.542 -7.640 -0.268 1.00 0.00 O ATOM 297 CB LYS A 20 -7.660 -8.141 2.902 1.00 0.00 C ATOM 298 CG LYS A 20 -7.742 -8.914 4.211 1.00 0.00 C ATOM 299 CD LYS A 20 -9.191 -9.280 4.538 1.00 0.00 C ATOM 300 CE LYS A 20 -9.296 -10.184 5.753 1.00 0.00 C ATOM 301 NZ LYS A 20 -8.694 -11.514 5.501 1.00 0.00 N ATOM 0 H LYS A 20 -6.216 -9.257 0.683 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.814 -9.613 1.899 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.656 -7.728 2.802 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.349 -7.298 2.950 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.140 -9.820 4.141 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.323 -8.315 5.019 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.763 -8.369 4.715 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.641 -9.777 3.678 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.797 -9.714 6.601 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.344 -10.305 6.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.410 -12.253 5.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.351 -11.560 4.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.898 -11.664 6.153 1.00 0.00 H new ATOM 315 N LYS A 21 -9.640 -7.814 0.421 1.00 0.00 N ATOM 316 CA LYS A 21 -10.193 -7.040 -0.642 1.00 0.00 C ATOM 317 C LYS A 21 -10.687 -5.713 -0.048 1.00 0.00 C ATOM 318 O LYS A 21 -11.585 -5.698 0.806 1.00 0.00 O ATOM 319 CB LYS A 21 -11.338 -7.866 -1.241 1.00 0.00 C ATOM 320 CG LYS A 21 -11.937 -7.379 -2.542 1.00 0.00 C ATOM 321 CD LYS A 21 -13.015 -8.361 -2.996 1.00 0.00 C ATOM 322 CE LYS A 21 -13.597 -8.004 -4.350 1.00 0.00 C ATOM 323 NZ LYS A 21 -14.687 -8.928 -4.746 1.00 0.00 N ATOM 0 H LYS A 21 -10.332 -8.145 1.094 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.472 -6.810 -1.427 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.976 -8.882 -1.396 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.137 -7.921 -0.502 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.365 -6.385 -2.410 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.162 -7.293 -3.304 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.592 -9.364 -3.040 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.815 -8.384 -2.256 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.979 -6.983 -4.323 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.808 -8.030 -5.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.057 -8.649 -5.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.318 -9.899 -4.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.452 -8.885 -4.042 1.00 0.00 H new ATOM 337 N TYR A 22 -10.094 -4.620 -0.476 1.00 0.00 N ATOM 338 CA TYR A 22 -10.405 -3.310 0.072 1.00 0.00 C ATOM 339 C TYR A 22 -10.826 -2.329 -0.992 1.00 0.00 C ATOM 340 O TYR A 22 -10.334 -2.378 -2.112 1.00 0.00 O ATOM 341 CB TYR A 22 -9.234 -2.739 0.900 1.00 0.00 C ATOM 342 CG TYR A 22 -9.056 -3.382 2.251 1.00 0.00 C ATOM 343 CD1 TYR A 22 -9.854 -2.990 3.319 1.00 0.00 C ATOM 344 CD2 TYR A 22 -8.105 -4.360 2.470 1.00 0.00 C ATOM 345 CE1 TYR A 22 -9.707 -3.554 4.563 1.00 0.00 C ATOM 346 CE2 TYR A 22 -7.955 -4.929 3.718 1.00 0.00 C ATOM 347 CZ TYR A 22 -8.757 -4.522 4.757 1.00 0.00 C ATOM 348 OH TYR A 22 -8.608 -5.086 6.000 1.00 0.00 O ATOM 0 H TYR A 22 -9.386 -4.610 -1.210 1.00 0.00 H new ATOM 0 HA TYR A 22 -11.253 -3.456 0.741 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -8.312 -2.856 0.331 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -9.390 -1.669 1.038 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -10.604 -2.228 3.168 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -7.473 -4.682 1.656 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -10.336 -3.237 5.382 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -7.209 -5.693 3.878 1.00 0.00 H new ATOM 0 HH TYR A 22 -7.894 -5.756 5.972 1.00 0.00 H new ATOM 358 N PRO A 23 -11.776 -1.436 -0.654 1.00 0.00 N ATOM 359 CA PRO A 23 -12.286 -0.416 -1.572 1.00 0.00 C ATOM 360 C PRO A 23 -11.204 0.494 -2.138 1.00 0.00 C ATOM 361 O PRO A 23 -10.243 0.848 -1.454 1.00 0.00 O ATOM 362 CB PRO A 23 -13.241 0.405 -0.710 1.00 0.00 C ATOM 363 CG PRO A 23 -13.648 -0.506 0.376 1.00 0.00 C ATOM 364 CD PRO A 23 -12.458 -1.364 0.658 1.00 0.00 C ATOM 0 HA PRO A 23 -12.746 -0.882 -2.443 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.752 1.296 -0.316 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -14.102 0.743 -1.286 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -13.946 0.053 1.263 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -14.504 -1.111 0.078 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -11.817 -0.925 1.422 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -12.749 -2.352 1.016 1.00 0.00 H new ATOM 372 N ALA A 24 -11.390 0.871 -3.385 1.00 0.00 N ATOM 373 CA ALA A 24 -10.493 1.777 -4.100 1.00 0.00 C ATOM 374 C ALA A 24 -10.351 3.112 -3.386 1.00 0.00 C ATOM 375 O ALA A 24 -9.276 3.733 -3.381 1.00 0.00 O ATOM 376 CB ALA A 24 -11.008 1.986 -5.507 1.00 0.00 C ATOM 0 H ALA A 24 -12.180 0.555 -3.947 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.503 1.321 -4.133 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.341 2.661 -6.042 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.048 1.028 -6.026 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.008 2.419 -5.468 1.00 0.00 H new ATOM 382 N GLY A 25 -11.421 3.522 -2.776 1.00 0.00 N ATOM 383 CA GLY A 25 -11.467 4.786 -2.084 1.00 0.00 C ATOM 384 C GLY A 25 -11.122 4.669 -0.612 1.00 0.00 C ATOM 385 O GLY A 25 -11.298 5.628 0.148 1.00 0.00 O ATOM 0 H GLY A 25 -12.292 2.993 -2.741 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.774 5.480 -2.560 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.465 5.213 -2.185 1.00 0.00 H new ATOM 389 N MET A 26 -10.648 3.506 -0.193 1.00 0.00 N ATOM 390 CA MET A 26 -10.266 3.317 1.192 1.00 0.00 C ATOM 391 C MET A 26 -8.914 3.979 1.416 1.00 0.00 C ATOM 392 O MET A 26 -8.143 4.176 0.457 1.00 0.00 O ATOM 393 CB MET A 26 -10.190 1.825 1.521 1.00 0.00 C ATOM 394 CG MET A 26 -10.102 1.497 2.996 1.00 0.00 C ATOM 395 SD MET A 26 -11.563 2.089 3.871 1.00 0.00 S ATOM 396 CE MET A 26 -11.280 1.446 5.510 1.00 0.00 C ATOM 0 H MET A 26 -10.520 2.687 -0.788 1.00 0.00 H new ATOM 0 HA MET A 26 -11.010 3.769 1.847 1.00 0.00 H new ATOM 0 HB2 MET A 26 -11.070 1.332 1.107 1.00 0.00 H new ATOM 0 HB3 MET A 26 -9.321 1.402 1.018 1.00 0.00 H new ATOM 0 HG2 MET A 26 -10.005 0.419 3.128 1.00 0.00 H new ATOM 0 HG3 MET A 26 -9.208 1.952 3.422 1.00 0.00 H new ATOM 0 HE1 MET A 26 -12.153 0.879 5.834 1.00 0.00 H new ATOM 0 HE2 MET A 26 -10.407 0.794 5.499 1.00 0.00 H new ATOM 0 HE3 MET A 26 -11.107 2.272 6.200 1.00 0.00 H new ATOM 406 N SER A 27 -8.616 4.315 2.641 1.00 0.00 N ATOM 407 CA SER A 27 -7.390 4.985 2.941 1.00 0.00 C ATOM 408 C SER A 27 -6.306 3.989 3.231 1.00 0.00 C ATOM 409 O SER A 27 -6.563 2.893 3.765 1.00 0.00 O ATOM 410 CB SER A 27 -7.572 5.911 4.138 1.00 0.00 C ATOM 411 OG SER A 27 -8.056 5.198 5.255 1.00 0.00 O ATOM 0 H SER A 27 -9.212 4.133 3.449 1.00 0.00 H new ATOM 0 HA SER A 27 -7.102 5.578 2.073 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.621 6.383 4.386 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.267 6.711 3.882 1.00 0.00 H new ATOM 0 HG SER A 27 -8.164 5.811 6.012 1.00 0.00 H new ATOM 417 N LEU A 28 -5.100 4.343 2.873 1.00 0.00 N ATOM 418 CA LEU A 28 -3.963 3.519 3.174 1.00 0.00 C ATOM 419 C LEU A 28 -3.703 3.602 4.669 1.00 0.00 C ATOM 420 O LEU A 28 -3.235 2.656 5.282 1.00 0.00 O ATOM 421 CB LEU A 28 -2.780 4.018 2.356 1.00 0.00 C ATOM 422 CG LEU A 28 -1.475 3.173 2.290 1.00 0.00 C ATOM 423 CD1 LEU A 28 -0.647 3.301 3.545 1.00 0.00 C ATOM 424 CD2 LEU A 28 -1.792 1.708 2.019 1.00 0.00 C ATOM 0 H LEU A 28 -4.881 5.202 2.369 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.134 2.474 2.915 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.128 4.159 1.333 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.511 5.002 2.740 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.884 3.569 1.464 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.253 2.693 3.451 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.367 4.344 3.691 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.228 2.958 4.401 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.865 1.137 1.977 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.422 1.318 2.818 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.316 1.619 1.067 1.00 0.00 H new ATOM 436 N ASN A 29 -4.069 4.734 5.248 1.00 0.00 N ATOM 437 CA ASN A 29 -3.897 4.953 6.701 1.00 0.00 C ATOM 438 C ASN A 29 -4.714 4.003 7.530 1.00 0.00 C ATOM 439 O ASN A 29 -4.289 3.610 8.619 1.00 0.00 O ATOM 440 CB ASN A 29 -4.156 6.397 7.159 1.00 0.00 C ATOM 441 CG ASN A 29 -3.045 7.357 6.797 1.00 0.00 C ATOM 442 OD1 ASN A 29 -1.877 6.974 6.689 1.00 0.00 O ATOM 443 ND2 ASN A 29 -3.386 8.605 6.616 1.00 0.00 N ATOM 0 H ASN A 29 -4.486 5.520 4.750 1.00 0.00 H new ATOM 0 HA ASN A 29 -2.840 4.750 6.870 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -5.087 6.748 6.715 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.295 6.407 8.240 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.677 9.298 6.377 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.362 8.886 6.713 1.00 0.00 H new ATOM 450 N ASP A 30 -5.881 3.611 7.036 1.00 0.00 N ATOM 451 CA ASP A 30 -6.706 2.673 7.782 1.00 0.00 C ATOM 452 C ASP A 30 -6.060 1.312 7.755 1.00 0.00 C ATOM 453 O ASP A 30 -5.982 0.625 8.762 1.00 0.00 O ATOM 454 CB ASP A 30 -8.102 2.567 7.201 1.00 0.00 C ATOM 455 CG ASP A 30 -9.005 1.717 8.075 1.00 0.00 C ATOM 456 OD1 ASP A 30 -9.585 2.260 9.041 1.00 0.00 O ATOM 457 OD2 ASP A 30 -9.145 0.506 7.820 1.00 0.00 O ATOM 0 H ASP A 30 -6.270 3.919 6.145 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.790 3.041 8.805 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -8.530 3.564 7.095 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.049 2.135 6.202 1.00 0.00 H new ATOM 462 N LEU A 31 -5.556 0.965 6.594 1.00 0.00 N ATOM 463 CA LEU A 31 -4.900 -0.314 6.364 1.00 0.00 C ATOM 464 C LEU A 31 -3.657 -0.350 7.257 1.00 0.00 C ATOM 465 O LEU A 31 -3.383 -1.342 7.917 1.00 0.00 O ATOM 466 CB LEU A 31 -4.559 -0.407 4.850 1.00 0.00 C ATOM 467 CG LEU A 31 -4.159 -1.778 4.238 1.00 0.00 C ATOM 468 CD1 LEU A 31 -2.843 -2.288 4.756 1.00 0.00 C ATOM 469 CD2 LEU A 31 -5.249 -2.805 4.470 1.00 0.00 C ATOM 0 H LEU A 31 -5.587 1.565 5.770 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.526 -1.171 6.614 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.425 -0.043 4.297 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.742 0.288 4.656 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.037 -1.616 3.167 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.617 -3.248 4.293 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.056 -1.574 4.514 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.901 -2.412 5.837 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.950 -3.758 4.034 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.409 -2.930 5.541 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.173 -2.466 4.002 1.00 0.00 H new ATOM 481 N LYS A 32 -2.947 0.765 7.281 1.00 0.00 N ATOM 482 CA LYS A 32 -1.822 0.987 8.170 1.00 0.00 C ATOM 483 C LYS A 32 -2.189 0.786 9.604 1.00 0.00 C ATOM 484 O LYS A 32 -1.576 0.026 10.254 1.00 0.00 O ATOM 485 CB LYS A 32 -1.355 2.408 7.994 1.00 0.00 C ATOM 486 CG LYS A 32 -0.426 2.610 6.846 1.00 0.00 C ATOM 487 CD LYS A 32 0.975 2.269 7.261 1.00 0.00 C ATOM 488 CE LYS A 32 1.503 3.314 8.223 1.00 0.00 C ATOM 489 NZ LYS A 32 2.790 2.928 8.793 1.00 0.00 N ATOM 0 H LYS A 32 -3.142 1.558 6.669 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.043 0.268 7.917 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.225 3.050 7.859 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.859 2.731 8.909 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.729 1.984 6.006 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.473 3.644 6.506 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.994 1.287 7.733 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.619 2.213 6.383 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.607 4.266 7.703 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.781 3.466 9.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.288 3.776 9.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.636 2.277 9.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.364 2.456 8.066 1.00 0.00 H new ATOM 503 N LYS A 33 -3.220 1.452 10.067 1.00 0.00 N ATOM 504 CA LYS A 33 -3.635 1.394 11.463 1.00 0.00 C ATOM 505 C LYS A 33 -4.002 -0.048 11.832 1.00 0.00 C ATOM 506 O LYS A 33 -3.762 -0.499 12.950 1.00 0.00 O ATOM 507 CB LYS A 33 -4.838 2.313 11.635 1.00 0.00 C ATOM 508 CG LYS A 33 -5.140 2.710 13.055 1.00 0.00 C ATOM 509 CD LYS A 33 -3.992 3.521 13.648 1.00 0.00 C ATOM 510 CE LYS A 33 -3.696 4.800 12.845 1.00 0.00 C ATOM 511 NZ LYS A 33 -4.857 5.725 12.785 1.00 0.00 N ATOM 0 H LYS A 33 -3.804 2.056 9.488 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.827 1.717 12.119 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.672 3.217 11.049 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.716 1.819 11.218 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.059 3.296 13.086 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.310 1.818 13.658 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.235 3.790 14.676 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.095 2.903 13.683 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.848 5.317 13.294 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.402 4.527 11.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.585 6.590 12.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.644 5.263 12.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.156 5.970 13.751 1.00 0.00 H new ATOM 525 N LYS A 34 -4.564 -0.756 10.877 1.00 0.00 N ATOM 526 CA LYS A 34 -4.896 -2.121 11.016 1.00 0.00 C ATOM 527 C LYS A 34 -3.629 -2.994 11.050 1.00 0.00 C ATOM 528 O LYS A 34 -3.573 -3.996 11.762 1.00 0.00 O ATOM 529 CB LYS A 34 -5.873 -2.487 9.903 1.00 0.00 C ATOM 530 CG LYS A 34 -7.361 -2.324 10.273 1.00 0.00 C ATOM 531 CD LYS A 34 -7.693 -0.904 10.745 1.00 0.00 C ATOM 532 CE LYS A 34 -9.165 -0.719 11.089 1.00 0.00 C ATOM 533 NZ LYS A 34 -10.044 -0.920 9.917 1.00 0.00 N ATOM 0 H LYS A 34 -4.802 -0.369 9.964 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.390 -2.310 11.969 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.659 -1.867 9.032 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.697 -3.522 9.609 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.977 -2.570 9.408 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.617 -3.035 11.059 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.089 -0.668 11.621 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.416 -0.194 9.966 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.444 -1.422 11.874 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.319 0.283 11.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.926 -0.384 10.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.560 -0.586 9.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.265 -1.931 9.818 1.00 0.00 H new ATOM 547 N LEU A 35 -2.620 -2.588 10.306 1.00 0.00 N ATOM 548 CA LEU A 35 -1.311 -3.209 10.332 1.00 0.00 C ATOM 549 C LEU A 35 -0.617 -2.911 11.655 1.00 0.00 C ATOM 550 O LEU A 35 -0.070 -3.806 12.294 1.00 0.00 O ATOM 551 CB LEU A 35 -0.471 -2.677 9.169 1.00 0.00 C ATOM 552 CG LEU A 35 -0.849 -3.137 7.774 1.00 0.00 C ATOM 553 CD1 LEU A 35 0.068 -2.496 6.753 1.00 0.00 C ATOM 554 CD2 LEU A 35 -0.780 -4.654 7.669 1.00 0.00 C ATOM 0 H LEU A 35 -2.688 -1.805 9.656 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.423 -4.289 10.232 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.517 -1.588 9.190 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.568 -2.956 9.347 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.875 -2.829 7.573 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.210 -2.831 5.754 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.025 -1.411 6.811 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.099 -2.784 6.959 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.055 -4.962 6.660 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.235 -4.988 7.886 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.470 -5.100 8.385 1.00 0.00 H new ATOM 566 N GLU A 36 -0.679 -1.653 12.065 1.00 0.00 N ATOM 567 CA GLU A 36 -0.109 -1.170 13.294 1.00 0.00 C ATOM 568 C GLU A 36 -0.717 -1.909 14.470 1.00 0.00 C ATOM 569 O GLU A 36 -0.076 -2.119 15.484 1.00 0.00 O ATOM 570 CB GLU A 36 -0.413 0.312 13.441 1.00 0.00 C ATOM 571 CG GLU A 36 0.075 1.222 12.331 1.00 0.00 C ATOM 572 CD GLU A 36 1.509 1.066 11.904 1.00 0.00 C ATOM 573 OE1 GLU A 36 2.312 0.573 12.670 1.00 0.00 O ATOM 574 OE2 GLU A 36 1.832 1.480 10.757 1.00 0.00 O ATOM 0 H GLU A 36 -1.145 -0.923 11.526 1.00 0.00 H new ATOM 0 HA GLU A 36 0.968 -1.334 13.275 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.493 0.431 13.528 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.022 0.657 14.379 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.558 1.062 11.458 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.074 2.254 12.648 1.00 0.00 H new ATOM 581 N LEU A 37 -1.962 -2.286 14.320 1.00 0.00 N ATOM 582 CA LEU A 37 -2.680 -3.044 15.324 1.00 0.00 C ATOM 583 C LEU A 37 -2.082 -4.447 15.466 1.00 0.00 C ATOM 584 O LEU A 37 -1.987 -4.982 16.565 1.00 0.00 O ATOM 585 CB LEU A 37 -4.168 -3.137 14.946 1.00 0.00 C ATOM 586 CG LEU A 37 -5.088 -3.863 15.932 1.00 0.00 C ATOM 587 CD1 LEU A 37 -5.132 -3.140 17.270 1.00 0.00 C ATOM 588 CD2 LEU A 37 -6.483 -3.993 15.350 1.00 0.00 C ATOM 0 H LEU A 37 -2.515 -2.075 13.489 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.588 -2.531 16.281 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.548 -2.124 14.810 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.242 -3.638 13.981 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.686 -4.862 16.103 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.792 -3.676 17.952 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.129 -3.098 17.694 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.507 -2.127 17.124 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.127 -4.511 16.061 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.888 -3.001 15.150 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.438 -4.561 14.421 1.00 0.00 H new ATOM 600 N VAL A 38 -1.653 -5.013 14.353 1.00 0.00 N ATOM 601 CA VAL A 38 -1.096 -6.361 14.345 1.00 0.00 C ATOM 602 C VAL A 38 0.384 -6.343 14.736 1.00 0.00 C ATOM 603 O VAL A 38 0.842 -7.185 15.511 1.00 0.00 O ATOM 604 CB VAL A 38 -1.249 -7.033 12.943 1.00 0.00 C ATOM 605 CG1 VAL A 38 -0.674 -8.448 12.932 1.00 0.00 C ATOM 606 CG2 VAL A 38 -2.704 -7.057 12.508 1.00 0.00 C ATOM 0 H VAL A 38 -1.678 -4.562 13.438 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.656 -6.943 15.077 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.681 -6.431 12.234 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.798 -8.884 11.941 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.386 -8.412 13.182 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.199 -9.060 13.666 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.783 -7.530 11.529 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.291 -7.622 13.232 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.083 -6.037 12.450 1.00 0.00 H new ATOM 616 N VAL A 39 1.119 -5.379 14.227 1.00 0.00 N ATOM 617 CA VAL A 39 2.552 -5.325 14.486 1.00 0.00 C ATOM 618 C VAL A 39 2.856 -4.614 15.795 1.00 0.00 C ATOM 619 O VAL A 39 3.904 -4.838 16.421 1.00 0.00 O ATOM 620 CB VAL A 39 3.342 -4.697 13.298 1.00 0.00 C ATOM 621 CG1 VAL A 39 4.845 -4.863 13.495 1.00 0.00 C ATOM 622 CG2 VAL A 39 2.911 -5.324 11.977 1.00 0.00 C ATOM 0 H VAL A 39 0.760 -4.628 13.638 1.00 0.00 H new ATOM 0 HA VAL A 39 2.894 -6.355 14.584 1.00 0.00 H new ATOM 0 HB VAL A 39 3.116 -3.631 13.269 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.374 -4.417 12.653 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.148 -4.368 14.417 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.089 -5.924 13.556 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.473 -4.873 11.160 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.105 -6.396 12.003 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.846 -5.152 11.823 1.00 0.00 H new ATOM 632 N GLY A 40 1.936 -3.798 16.230 1.00 0.00 N ATOM 633 CA GLY A 40 2.135 -3.052 17.436 1.00 0.00 C ATOM 634 C GLY A 40 3.033 -1.883 17.182 1.00 0.00 C ATOM 635 O GLY A 40 3.627 -1.317 18.110 1.00 0.00 O ATOM 0 H GLY A 40 1.042 -3.635 15.766 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.175 -2.705 17.820 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.571 -3.694 18.201 1.00 0.00 H new ATOM 639 N THR A 41 3.147 -1.512 15.925 1.00 0.00 N ATOM 640 CA THR A 41 3.993 -0.443 15.559 1.00 0.00 C ATOM 641 C THR A 41 3.260 0.875 15.487 1.00 0.00 C ATOM 642 O THR A 41 2.057 0.966 15.800 1.00 0.00 O ATOM 643 CB THR A 41 4.698 -0.754 14.241 1.00 0.00 C ATOM 644 OG1 THR A 41 3.777 -1.401 13.354 1.00 0.00 O ATOM 645 CG2 THR A 41 5.931 -1.610 14.461 1.00 0.00 C ATOM 0 H THR A 41 2.652 -1.951 15.148 1.00 0.00 H new ATOM 0 HA THR A 41 4.743 -0.337 16.343 1.00 0.00 H new ATOM 0 HB THR A 41 5.034 0.181 13.793 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.287 -0.725 12.841 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.409 -1.813 13.503 1.00 0.00 H new ATOM 0 HG22 THR A 41 6.629 -1.082 15.110 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.642 -2.551 14.929 1.00 0.00 H new ATOM 653 N THR A 42 3.989 1.876 15.131 1.00 0.00 N ATOM 654 CA THR A 42 3.485 3.178 14.934 1.00 0.00 C ATOM 655 C THR A 42 3.663 3.537 13.467 1.00 0.00 C ATOM 656 O THR A 42 4.496 2.926 12.778 1.00 0.00 O ATOM 657 CB THR A 42 4.223 4.153 15.851 1.00 0.00 C ATOM 658 OG1 THR A 42 5.638 3.900 15.766 1.00 0.00 O ATOM 659 CG2 THR A 42 3.757 3.986 17.287 1.00 0.00 C ATOM 0 H THR A 42 4.992 1.799 14.964 1.00 0.00 H new ATOM 0 HA THR A 42 2.425 3.233 15.183 1.00 0.00 H new ATOM 0 HB THR A 42 4.010 5.174 15.534 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.117 4.523 16.351 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.292 4.687 17.927 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.687 4.183 17.348 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.957 2.967 17.618 1.00 0.00 H new ATOM 667 N VAL A 43 2.939 4.533 12.993 1.00 0.00 N ATOM 668 CA VAL A 43 2.902 4.838 11.576 1.00 0.00 C ATOM 669 C VAL A 43 4.260 5.160 10.963 1.00 0.00 C ATOM 670 O VAL A 43 4.581 4.658 9.893 1.00 0.00 O ATOM 671 CB VAL A 43 1.894 5.941 11.223 1.00 0.00 C ATOM 672 CG1 VAL A 43 0.465 5.481 11.471 1.00 0.00 C ATOM 673 CG2 VAL A 43 2.174 7.226 11.986 1.00 0.00 C ATOM 0 H VAL A 43 2.366 5.147 13.572 1.00 0.00 H new ATOM 0 HA VAL A 43 2.564 3.904 11.128 1.00 0.00 H new ATOM 0 HB VAL A 43 2.011 6.150 10.160 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.226 6.283 11.212 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.252 4.607 10.856 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.343 5.223 12.523 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.439 7.982 11.708 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.110 7.034 13.057 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.174 7.585 11.740 1.00 0.00 H new ATOM 683 N ASP A 44 5.031 5.969 11.621 1.00 0.00 N ATOM 684 CA ASP A 44 6.367 6.337 11.134 1.00 0.00 C ATOM 685 C ASP A 44 7.326 5.142 11.154 1.00 0.00 C ATOM 686 O ASP A 44 8.257 5.060 10.342 1.00 0.00 O ATOM 687 CB ASP A 44 6.948 7.489 11.958 1.00 0.00 C ATOM 688 CG ASP A 44 8.311 7.946 11.474 1.00 0.00 C ATOM 689 OD1 ASP A 44 8.373 8.721 10.493 1.00 0.00 O ATOM 690 OD2 ASP A 44 9.341 7.545 12.068 1.00 0.00 O ATOM 0 H ASP A 44 4.774 6.402 12.508 1.00 0.00 H new ATOM 0 HA ASP A 44 6.255 6.663 10.100 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.258 8.332 11.928 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.026 7.178 13.000 1.00 0.00 H new ATOM 695 N SER A 45 7.060 4.203 12.039 1.00 0.00 N ATOM 696 CA SER A 45 7.921 3.054 12.239 1.00 0.00 C ATOM 697 C SER A 45 7.602 1.936 11.242 1.00 0.00 C ATOM 698 O SER A 45 8.385 1.008 11.049 1.00 0.00 O ATOM 699 CB SER A 45 7.777 2.555 13.681 1.00 0.00 C ATOM 700 OG SER A 45 8.673 1.505 13.971 1.00 0.00 O ATOM 0 H SER A 45 6.238 4.215 12.642 1.00 0.00 H new ATOM 0 HA SER A 45 8.953 3.357 12.064 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.953 3.382 14.369 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.755 2.215 13.846 1.00 0.00 H new ATOM 0 HG SER A 45 8.221 0.832 14.522 1.00 0.00 H new ATOM 706 N MET A 46 6.482 2.039 10.616 1.00 0.00 N ATOM 707 CA MET A 46 6.055 1.040 9.667 1.00 0.00 C ATOM 708 C MET A 46 6.090 1.594 8.255 1.00 0.00 C ATOM 709 O MET A 46 5.296 2.475 7.896 1.00 0.00 O ATOM 710 CB MET A 46 4.659 0.549 10.021 1.00 0.00 C ATOM 711 CG MET A 46 4.082 -0.492 9.063 1.00 0.00 C ATOM 712 SD MET A 46 5.133 -1.938 8.874 1.00 0.00 S ATOM 713 CE MET A 46 5.192 -2.545 10.553 1.00 0.00 C ATOM 0 H MET A 46 5.828 2.812 10.739 1.00 0.00 H new ATOM 0 HA MET A 46 6.743 0.195 9.713 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.682 0.125 11.025 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.985 1.405 10.053 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.103 -0.807 9.425 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.928 -0.032 8.087 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.608 -3.553 10.561 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.820 -1.889 11.155 1.00 0.00 H new ATOM 0 HE3 MET A 46 4.184 -2.565 10.968 1.00 0.00 H new ATOM 723 N ARG A 47 6.981 1.074 7.464 1.00 0.00 N ATOM 724 CA ARG A 47 7.163 1.528 6.115 1.00 0.00 C ATOM 725 C ARG A 47 6.395 0.605 5.186 1.00 0.00 C ATOM 726 O ARG A 47 6.411 -0.615 5.363 1.00 0.00 O ATOM 727 CB ARG A 47 8.655 1.535 5.787 1.00 0.00 C ATOM 728 CG ARG A 47 9.013 2.003 4.393 1.00 0.00 C ATOM 729 CD ARG A 47 10.512 1.962 4.186 1.00 0.00 C ATOM 730 NE ARG A 47 10.888 2.413 2.854 1.00 0.00 N ATOM 731 CZ ARG A 47 11.959 1.994 2.179 1.00 0.00 C ATOM 732 NH1 ARG A 47 12.848 1.189 2.755 1.00 0.00 N ATOM 733 NH2 ARG A 47 12.159 2.412 0.942 1.00 0.00 N ATOM 0 H ARG A 47 7.607 0.317 7.738 1.00 0.00 H new ATOM 0 HA ARG A 47 6.784 2.542 5.990 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.165 2.174 6.508 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.044 0.526 5.924 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.521 1.371 3.654 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.647 3.018 4.239 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.999 2.589 4.933 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.872 0.945 4.340 1.00 0.00 H new ATOM 0 HE ARG A 47 10.286 3.102 2.403 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.713 0.888 3.720 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.664 0.873 2.231 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.496 3.053 0.507 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.977 2.094 0.422 1.00 0.00 H new ATOM 747 N ILE A 48 5.702 1.167 4.227 1.00 0.00 N ATOM 748 CA ILE A 48 4.900 0.366 3.329 1.00 0.00 C ATOM 749 C ILE A 48 5.496 0.377 1.938 1.00 0.00 C ATOM 750 O ILE A 48 5.667 1.436 1.339 1.00 0.00 O ATOM 751 CB ILE A 48 3.438 0.882 3.256 1.00 0.00 C ATOM 752 CG1 ILE A 48 2.804 0.931 4.647 1.00 0.00 C ATOM 753 CG2 ILE A 48 2.602 0.007 2.332 1.00 0.00 C ATOM 754 CD1 ILE A 48 2.735 -0.406 5.357 1.00 0.00 C ATOM 0 H ILE A 48 5.675 2.171 4.047 1.00 0.00 H new ATOM 0 HA ILE A 48 4.893 -0.651 3.722 1.00 0.00 H new ATOM 0 HB ILE A 48 3.463 1.894 2.852 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.370 1.627 5.266 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.795 1.333 4.558 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.581 0.387 2.296 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.031 0.023 1.330 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.595 -1.016 2.708 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.271 -0.275 6.335 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.142 -1.102 4.764 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.742 -0.803 5.483 1.00 0.00 H new ATOM 766 N GLN A 49 5.772 -0.782 1.418 1.00 0.00 N ATOM 767 CA GLN A 49 6.343 -0.894 0.123 1.00 0.00 C ATOM 768 C GLN A 49 5.267 -1.517 -0.781 1.00 0.00 C ATOM 769 O GLN A 49 4.574 -2.449 -0.356 1.00 0.00 O ATOM 770 CB GLN A 49 7.555 -1.842 0.201 1.00 0.00 C ATOM 771 CG GLN A 49 8.595 -1.620 -0.883 1.00 0.00 C ATOM 772 CD GLN A 49 9.342 -0.301 -0.681 1.00 0.00 C ATOM 773 OE1 GLN A 49 9.520 0.154 0.442 1.00 0.00 O ATOM 774 NE2 GLN A 49 9.786 0.301 -1.744 1.00 0.00 N ATOM 0 H GLN A 49 5.605 -1.673 1.886 1.00 0.00 H new ATOM 0 HA GLN A 49 6.667 0.073 -0.262 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.031 -1.724 1.174 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.200 -2.871 0.142 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.306 -2.446 -0.881 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.110 -1.619 -1.859 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.621 -0.104 -2.666 1.00 0.00 H new ATOM 0 HE22 GLN A 49 10.299 1.178 -1.657 1.00 0.00 H new ATOM 783 N LEU A 50 5.112 -1.023 -1.992 1.00 0.00 N ATOM 784 CA LEU A 50 4.104 -1.573 -2.897 1.00 0.00 C ATOM 785 C LEU A 50 4.751 -2.285 -4.062 1.00 0.00 C ATOM 786 O LEU A 50 5.479 -1.666 -4.867 1.00 0.00 O ATOM 787 CB LEU A 50 3.163 -0.482 -3.439 1.00 0.00 C ATOM 788 CG LEU A 50 2.013 -0.979 -4.359 1.00 0.00 C ATOM 789 CD1 LEU A 50 1.025 -1.814 -3.601 1.00 0.00 C ATOM 790 CD2 LEU A 50 1.336 0.166 -5.091 1.00 0.00 C ATOM 0 H LEU A 50 5.659 -0.252 -2.376 1.00 0.00 H new ATOM 0 HA LEU A 50 3.518 -2.283 -2.314 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.724 0.046 -2.593 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.759 0.243 -3.993 1.00 0.00 H new ATOM 0 HG LEU A 50 2.464 -1.617 -5.119 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.235 -2.144 -4.275 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.530 -2.683 -3.180 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.591 -1.222 -2.795 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.539 -0.226 -5.722 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.915 0.863 -4.366 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.067 0.685 -5.711 1.00 0.00 H new ATOM 802 N PHE A 51 4.490 -3.560 -4.166 1.00 0.00 N ATOM 803 CA PHE A 51 4.979 -4.337 -5.265 1.00 0.00 C ATOM 804 C PHE A 51 3.844 -4.552 -6.240 1.00 0.00 C ATOM 805 O PHE A 51 2.715 -4.846 -5.832 1.00 0.00 O ATOM 806 CB PHE A 51 5.560 -5.671 -4.797 1.00 0.00 C ATOM 807 CG PHE A 51 6.728 -5.527 -3.857 1.00 0.00 C ATOM 808 CD1 PHE A 51 7.960 -5.118 -4.330 1.00 0.00 C ATOM 809 CD2 PHE A 51 6.591 -5.794 -2.506 1.00 0.00 C ATOM 810 CE1 PHE A 51 9.036 -4.978 -3.481 1.00 0.00 C ATOM 811 CE2 PHE A 51 7.668 -5.657 -1.650 1.00 0.00 C ATOM 812 CZ PHE A 51 8.890 -5.249 -2.138 1.00 0.00 C ATOM 0 H PHE A 51 3.934 -4.085 -3.492 1.00 0.00 H new ATOM 0 HA PHE A 51 5.791 -3.798 -5.754 1.00 0.00 H new ATOM 0 HB2 PHE A 51 4.776 -6.245 -4.303 1.00 0.00 H new ATOM 0 HB3 PHE A 51 5.875 -6.246 -5.668 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.081 -4.905 -5.382 1.00 0.00 H new ATOM 0 HD2 PHE A 51 5.635 -6.112 -2.117 1.00 0.00 H new ATOM 0 HE1 PHE A 51 9.992 -4.657 -3.867 1.00 0.00 H new ATOM 0 HE2 PHE A 51 7.551 -5.870 -0.598 1.00 0.00 H new ATOM 0 HZ PHE A 51 9.731 -5.142 -1.470 1.00 0.00 H new ATOM 822 N ASP A 52 4.137 -4.386 -7.511 1.00 0.00 N ATOM 823 CA ASP A 52 3.126 -4.482 -8.557 1.00 0.00 C ATOM 824 C ASP A 52 2.638 -5.890 -8.701 1.00 0.00 C ATOM 825 O ASP A 52 1.495 -6.217 -8.376 1.00 0.00 O ATOM 826 CB ASP A 52 3.699 -4.010 -9.891 1.00 0.00 C ATOM 827 CG ASP A 52 2.667 -3.947 -11.001 1.00 0.00 C ATOM 828 OD1 ASP A 52 2.418 -4.981 -11.665 1.00 0.00 O ATOM 829 OD2 ASP A 52 2.106 -2.869 -11.230 1.00 0.00 O ATOM 0 H ASP A 52 5.076 -4.182 -7.854 1.00 0.00 H new ATOM 0 HA ASP A 52 2.289 -3.845 -8.272 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.141 -3.022 -9.759 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.504 -4.682 -10.191 1.00 0.00 H new ATOM 834 N GLY A 53 3.501 -6.708 -9.179 1.00 0.00 N ATOM 835 CA GLY A 53 3.172 -8.074 -9.407 1.00 0.00 C ATOM 836 C GLY A 53 4.018 -9.001 -8.596 1.00 0.00 C ATOM 837 O GLY A 53 3.687 -9.317 -7.452 1.00 0.00 O ATOM 0 H GLY A 53 4.458 -6.454 -9.425 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.122 -8.238 -9.166 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.296 -8.304 -10.465 1.00 0.00 H new ATOM 841 N ASP A 54 5.122 -9.408 -9.167 1.00 0.00 N ATOM 842 CA ASP A 54 5.994 -10.373 -8.553 1.00 0.00 C ATOM 843 C ASP A 54 7.100 -9.720 -7.736 1.00 0.00 C ATOM 844 O ASP A 54 7.516 -10.266 -6.712 1.00 0.00 O ATOM 845 CB ASP A 54 6.605 -11.293 -9.615 1.00 0.00 C ATOM 846 CG ASP A 54 7.498 -10.578 -10.599 1.00 0.00 C ATOM 847 OD1 ASP A 54 6.987 -10.054 -11.606 1.00 0.00 O ATOM 848 OD2 ASP A 54 8.730 -10.537 -10.380 1.00 0.00 O ATOM 0 H ASP A 54 5.443 -9.077 -10.077 1.00 0.00 H new ATOM 0 HA ASP A 54 5.384 -10.960 -7.867 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.180 -12.074 -9.118 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.801 -11.787 -10.161 1.00 0.00 H new ATOM 853 N ASP A 55 7.563 -8.552 -8.157 1.00 0.00 N ATOM 854 CA ASP A 55 8.675 -7.892 -7.484 1.00 0.00 C ATOM 855 C ASP A 55 8.804 -6.452 -7.889 1.00 0.00 C ATOM 856 O ASP A 55 9.177 -5.613 -7.074 1.00 0.00 O ATOM 857 CB ASP A 55 9.993 -8.618 -7.752 1.00 0.00 C ATOM 858 CG ASP A 55 11.201 -7.959 -7.095 1.00 0.00 C ATOM 859 OD1 ASP A 55 11.528 -8.308 -5.930 1.00 0.00 O ATOM 860 OD2 ASP A 55 11.856 -7.115 -7.744 1.00 0.00 O ATOM 0 H ASP A 55 7.189 -8.043 -8.958 1.00 0.00 H new ATOM 0 HA ASP A 55 8.457 -7.929 -6.417 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.911 -9.644 -7.395 1.00 0.00 H new ATOM 0 HB3 ASP A 55 10.158 -8.667 -8.828 1.00 0.00 H new ATOM 865 N GLN A 56 8.501 -6.171 -9.143 1.00 0.00 N ATOM 866 CA GLN A 56 8.608 -4.843 -9.686 1.00 0.00 C ATOM 867 C GLN A 56 7.918 -3.812 -8.830 1.00 0.00 C ATOM 868 O GLN A 56 6.725 -3.929 -8.475 1.00 0.00 O ATOM 869 CB GLN A 56 8.228 -4.734 -11.173 1.00 0.00 C ATOM 870 CG GLN A 56 6.763 -5.028 -11.614 1.00 0.00 C ATOM 871 CD GLN A 56 6.221 -6.467 -11.421 1.00 0.00 C ATOM 872 OE1 GLN A 56 6.584 -7.195 -10.511 1.00 0.00 O ATOM 873 NE2 GLN A 56 5.349 -6.866 -12.293 1.00 0.00 N ATOM 0 H GLN A 56 8.172 -6.867 -9.812 1.00 0.00 H new ATOM 0 HA GLN A 56 9.673 -4.613 -9.657 1.00 0.00 H new ATOM 0 HB2 GLN A 56 8.470 -3.722 -11.499 1.00 0.00 H new ATOM 0 HB3 GLN A 56 8.878 -5.412 -11.727 1.00 0.00 H new ATOM 0 HG2 GLN A 56 6.107 -4.348 -11.070 1.00 0.00 H new ATOM 0 HG3 GLN A 56 6.676 -4.777 -12.671 1.00 0.00 H new ATOM 0 HE21 GLN A 56 5.059 -6.242 -13.046 1.00 0.00 H new ATOM 0 HE22 GLN A 56 4.953 -7.804 -12.226 1.00 0.00 H new ATOM 882 N LEU A 57 8.669 -2.824 -8.510 1.00 0.00 N ATOM 883 CA LEU A 57 8.290 -1.837 -7.539 1.00 0.00 C ATOM 884 C LEU A 57 7.391 -0.759 -8.119 1.00 0.00 C ATOM 885 O LEU A 57 7.493 -0.393 -9.292 1.00 0.00 O ATOM 886 CB LEU A 57 9.545 -1.224 -6.896 1.00 0.00 C ATOM 887 CG LEU A 57 9.314 -0.244 -5.744 1.00 0.00 C ATOM 888 CD1 LEU A 57 8.593 -0.932 -4.598 1.00 0.00 C ATOM 889 CD2 LEU A 57 10.636 0.336 -5.266 1.00 0.00 C ATOM 0 H LEU A 57 9.589 -2.665 -8.920 1.00 0.00 H new ATOM 0 HA LEU A 57 7.704 -2.342 -6.771 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.173 -2.037 -6.531 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.110 -0.709 -7.673 1.00 0.00 H new ATOM 0 HG LEU A 57 8.689 0.572 -6.106 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.437 -0.221 -3.787 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.629 -1.304 -4.945 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.195 -1.766 -4.238 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.453 1.031 -4.446 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.283 -0.470 -4.921 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.120 0.863 -6.088 1.00 0.00 H new ATOM 901 N LYS A 58 6.457 -0.320 -7.316 1.00 0.00 N ATOM 902 CA LYS A 58 5.588 0.788 -7.655 1.00 0.00 C ATOM 903 C LYS A 58 6.007 2.024 -6.897 1.00 0.00 C ATOM 904 O LYS A 58 5.979 3.138 -7.427 1.00 0.00 O ATOM 905 CB LYS A 58 4.148 0.432 -7.339 1.00 0.00 C ATOM 906 CG LYS A 58 3.538 -0.645 -8.239 1.00 0.00 C ATOM 907 CD LYS A 58 2.981 -0.105 -9.588 1.00 0.00 C ATOM 908 CE LYS A 58 3.999 0.602 -10.486 1.00 0.00 C ATOM 909 NZ LYS A 58 5.137 -0.263 -10.886 1.00 0.00 N ATOM 0 H LYS A 58 6.273 -0.723 -6.397 1.00 0.00 H new ATOM 0 HA LYS A 58 5.669 0.992 -8.723 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.091 0.095 -6.304 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.541 1.334 -7.414 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.295 -1.401 -8.447 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.732 -1.142 -7.698 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.550 -0.939 -10.143 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.168 0.589 -9.374 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.493 0.961 -11.382 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.385 1.478 -9.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.562 0.105 -11.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.851 -0.269 -10.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.796 -1.232 -11.048 1.00 0.00 H new ATOM 923 N GLY A 59 6.378 1.819 -5.663 1.00 0.00 N ATOM 924 CA GLY A 59 6.842 2.885 -4.828 1.00 0.00 C ATOM 925 C GLY A 59 6.628 2.555 -3.382 1.00 0.00 C ATOM 926 O GLY A 59 6.428 1.373 -3.032 1.00 0.00 O ATOM 0 H GLY A 59 6.366 0.905 -5.210 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.901 3.064 -5.013 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.315 3.806 -5.078 1.00 0.00 H new ATOM 930 N GLU A 60 6.651 3.557 -2.553 1.00 0.00 N ATOM 931 CA GLU A 60 6.433 3.433 -1.173 1.00 0.00 C ATOM 932 C GLU A 60 5.100 4.060 -0.924 1.00 0.00 C ATOM 933 O GLU A 60 4.830 5.154 -1.435 1.00 0.00 O ATOM 934 CB GLU A 60 7.524 4.211 -0.453 1.00 0.00 C ATOM 935 CG GLU A 60 7.422 4.261 1.055 1.00 0.00 C ATOM 936 CD GLU A 60 8.513 5.111 1.637 1.00 0.00 C ATOM 937 OE1 GLU A 60 8.343 6.341 1.713 1.00 0.00 O ATOM 938 OE2 GLU A 60 9.574 4.565 1.995 1.00 0.00 O ATOM 0 H GLU A 60 6.831 4.516 -2.850 1.00 0.00 H new ATOM 0 HA GLU A 60 6.453 2.400 -0.825 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.487 3.775 -0.717 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.522 5.233 -0.831 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.450 4.661 1.345 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.486 3.252 1.462 1.00 0.00 H new ATOM 945 N LEU A 61 4.251 3.398 -0.197 1.00 0.00 N ATOM 946 CA LEU A 61 2.971 3.963 0.065 1.00 0.00 C ATOM 947 C LEU A 61 3.072 4.964 1.146 1.00 0.00 C ATOM 948 O LEU A 61 3.559 6.062 0.917 1.00 0.00 O ATOM 949 CB LEU A 61 1.888 2.913 0.291 1.00 0.00 C ATOM 950 CG LEU A 61 1.651 1.980 -0.894 1.00 0.00 C ATOM 951 CD1 LEU A 61 0.553 0.984 -0.590 1.00 0.00 C ATOM 952 CD2 LEU A 61 1.329 2.778 -2.147 1.00 0.00 C ATOM 0 H LEU A 61 4.421 2.482 0.217 1.00 0.00 H new ATOM 0 HA LEU A 61 2.639 4.488 -0.831 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.157 2.313 1.161 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.953 3.420 0.530 1.00 0.00 H new ATOM 0 HG LEU A 61 2.568 1.419 -1.073 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.405 0.332 -1.451 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.835 0.384 0.275 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.373 1.517 -0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.163 2.095 -2.981 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.430 3.371 -1.980 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.162 3.440 -2.381 1.00 0.00 H new ATOM 964 N THR A 62 2.585 4.636 2.281 1.00 0.00 N ATOM 965 CA THR A 62 2.825 5.432 3.471 1.00 0.00 C ATOM 966 C THR A 62 1.904 6.708 3.534 1.00 0.00 C ATOM 967 O THR A 62 1.827 7.400 4.558 1.00 0.00 O ATOM 968 CB THR A 62 4.373 5.725 3.559 1.00 0.00 C ATOM 969 OG1 THR A 62 5.102 4.499 3.810 1.00 0.00 O ATOM 970 CG2 THR A 62 4.770 6.780 4.548 1.00 0.00 C ATOM 0 H THR A 62 2.005 3.811 2.435 1.00 0.00 H new ATOM 0 HA THR A 62 2.540 4.879 4.366 1.00 0.00 H new ATOM 0 HB THR A 62 4.640 6.137 2.586 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.061 4.693 3.861 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.853 6.905 4.531 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.291 7.723 4.286 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.455 6.479 5.547 1.00 0.00 H new ATOM 978 N ASP A 63 1.139 6.935 2.469 1.00 0.00 N ATOM 979 CA ASP A 63 0.215 8.065 2.400 1.00 0.00 C ATOM 980 C ASP A 63 -1.181 7.537 2.441 1.00 0.00 C ATOM 981 O ASP A 63 -1.579 6.779 1.571 1.00 0.00 O ATOM 982 CB ASP A 63 0.358 8.873 1.097 1.00 0.00 C ATOM 983 CG ASP A 63 1.735 9.456 0.839 1.00 0.00 C ATOM 984 OD1 ASP A 63 2.050 10.524 1.406 1.00 0.00 O ATOM 985 OD2 ASP A 63 2.500 8.878 0.022 1.00 0.00 O ATOM 0 H ASP A 63 1.141 6.347 1.636 1.00 0.00 H new ATOM 0 HA ASP A 63 0.443 8.721 3.240 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.092 8.228 0.259 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.365 9.688 1.114 1.00 0.00 H new ATOM 990 N GLY A 64 -1.922 7.923 3.424 1.00 0.00 N ATOM 991 CA GLY A 64 -3.280 7.458 3.541 1.00 0.00 C ATOM 992 C GLY A 64 -4.279 8.556 3.369 1.00 0.00 C ATOM 993 O GLY A 64 -5.485 8.313 3.401 1.00 0.00 O ATOM 0 H GLY A 64 -1.619 8.559 4.162 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.462 6.686 2.793 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.419 6.995 4.518 1.00 0.00 H new ATOM 997 N ALA A 65 -3.785 9.771 3.171 1.00 0.00 N ATOM 998 CA ALA A 65 -4.640 10.928 2.923 1.00 0.00 C ATOM 999 C ALA A 65 -5.218 10.846 1.517 1.00 0.00 C ATOM 1000 O ALA A 65 -6.082 11.627 1.124 1.00 0.00 O ATOM 1001 CB ALA A 65 -3.848 12.218 3.101 1.00 0.00 C ATOM 0 H ALA A 65 -2.787 9.983 3.177 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.459 10.928 3.642 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.498 13.073 2.913 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.464 12.271 4.120 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.015 12.234 2.398 1.00 0.00 H new ATOM 1007 N LYS A 66 -4.729 9.884 0.782 1.00 0.00 N ATOM 1008 CA LYS A 66 -5.150 9.601 -0.545 1.00 0.00 C ATOM 1009 C LYS A 66 -5.546 8.135 -0.608 1.00 0.00 C ATOM 1010 O LYS A 66 -5.099 7.335 0.234 1.00 0.00 O ATOM 1011 CB LYS A 66 -4.031 9.989 -1.515 1.00 0.00 C ATOM 1012 CG LYS A 66 -2.669 9.419 -1.149 1.00 0.00 C ATOM 1013 CD LYS A 66 -1.544 10.068 -1.951 1.00 0.00 C ATOM 1014 CE LYS A 66 -1.686 9.837 -3.435 1.00 0.00 C ATOM 1015 NZ LYS A 66 -0.621 10.509 -4.195 1.00 0.00 N ATOM 0 H LYS A 66 -3.997 9.256 1.114 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.023 10.184 -0.840 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.298 9.650 -2.516 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.960 11.076 -1.555 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.488 9.568 -0.084 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.667 8.343 -1.326 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.532 11.140 -1.753 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.586 9.671 -1.615 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.660 8.767 -3.641 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.657 10.202 -3.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.752 10.328 -5.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.662 11.533 -4.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.305 10.142 -3.894 1.00 0.00 H new ATOM 1029 N SER A 67 -6.379 7.781 -1.555 1.00 0.00 N ATOM 1030 CA SER A 67 -6.943 6.475 -1.609 1.00 0.00 C ATOM 1031 C SER A 67 -5.956 5.494 -2.160 1.00 0.00 C ATOM 1032 O SER A 67 -4.943 5.883 -2.758 1.00 0.00 O ATOM 1033 CB SER A 67 -8.133 6.506 -2.529 1.00 0.00 C ATOM 1034 OG SER A 67 -8.982 7.584 -2.229 1.00 0.00 O ATOM 0 H SER A 67 -6.680 8.400 -2.308 1.00 0.00 H new ATOM 0 HA SER A 67 -7.226 6.173 -0.601 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.795 6.583 -3.562 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.686 5.570 -2.444 1.00 0.00 H new ATOM 0 HG SER A 67 -9.745 7.580 -2.844 1.00 0.00 H new ATOM 1040 N LEU A 68 -6.274 4.226 -2.005 1.00 0.00 N ATOM 1041 CA LEU A 68 -5.475 3.151 -2.551 1.00 0.00 C ATOM 1042 C LEU A 68 -5.387 3.309 -4.051 1.00 0.00 C ATOM 1043 O LEU A 68 -4.349 3.071 -4.656 1.00 0.00 O ATOM 1044 CB LEU A 68 -6.122 1.802 -2.219 1.00 0.00 C ATOM 1045 CG LEU A 68 -6.281 1.467 -0.731 1.00 0.00 C ATOM 1046 CD1 LEU A 68 -6.971 0.125 -0.561 1.00 0.00 C ATOM 1047 CD2 LEU A 68 -4.930 1.455 -0.032 1.00 0.00 C ATOM 0 H LEU A 68 -7.099 3.911 -1.494 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.476 3.186 -2.116 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.108 1.773 -2.682 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.528 1.015 -2.684 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.898 2.240 -0.273 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -7.076 -0.098 0.501 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.957 0.162 -1.024 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.375 -0.653 -1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.068 1.215 1.022 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.288 0.705 -0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.465 2.436 -0.123 1.00 0.00 H new ATOM 1059 N LYS A 69 -6.463 3.796 -4.627 1.00 0.00 N ATOM 1060 CA LYS A 69 -6.558 3.932 -6.057 1.00 0.00 C ATOM 1061 C LYS A 69 -5.669 5.058 -6.530 1.00 0.00 C ATOM 1062 O LYS A 69 -4.935 4.915 -7.511 1.00 0.00 O ATOM 1063 CB LYS A 69 -8.003 4.177 -6.469 1.00 0.00 C ATOM 1064 CG LYS A 69 -8.230 4.225 -7.969 1.00 0.00 C ATOM 1065 CD LYS A 69 -9.700 4.416 -8.296 1.00 0.00 C ATOM 1066 CE LYS A 69 -9.936 4.423 -9.790 1.00 0.00 C ATOM 1067 NZ LYS A 69 -11.358 4.640 -10.118 1.00 0.00 N ATOM 0 H LYS A 69 -7.291 4.106 -4.118 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.222 3.006 -6.524 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.627 3.390 -6.045 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.337 5.119 -6.033 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.650 5.040 -8.401 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.871 3.302 -8.424 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.283 3.617 -7.838 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.051 5.354 -7.866 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.333 5.206 -10.250 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.605 3.475 -10.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.589 4.147 -11.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.952 4.268 -9.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.537 5.658 -10.231 1.00 0.00 H new ATOM 1081 N ASP A 70 -5.696 6.169 -5.805 1.00 0.00 N ATOM 1082 CA ASP A 70 -4.887 7.331 -6.172 1.00 0.00 C ATOM 1083 C ASP A 70 -3.402 7.033 -5.933 1.00 0.00 C ATOM 1084 O ASP A 70 -2.524 7.604 -6.565 1.00 0.00 O ATOM 1085 CB ASP A 70 -5.321 8.532 -5.364 1.00 0.00 C ATOM 1086 CG ASP A 70 -4.815 9.847 -5.937 1.00 0.00 C ATOM 1087 OD1 ASP A 70 -5.412 10.347 -6.914 1.00 0.00 O ATOM 1088 OD2 ASP A 70 -3.835 10.398 -5.423 1.00 0.00 O ATOM 0 H ASP A 70 -6.263 6.293 -4.966 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.031 7.549 -7.230 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.410 8.557 -5.317 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.960 8.425 -4.341 1.00 0.00 H new ATOM 1093 N LEU A 71 -3.149 6.115 -5.012 1.00 0.00 N ATOM 1094 CA LEU A 71 -1.782 5.635 -4.705 1.00 0.00 C ATOM 1095 C LEU A 71 -1.239 4.700 -5.784 1.00 0.00 C ATOM 1096 O LEU A 71 -0.048 4.408 -5.815 1.00 0.00 O ATOM 1097 CB LEU A 71 -1.761 4.871 -3.381 1.00 0.00 C ATOM 1098 CG LEU A 71 -1.937 5.664 -2.101 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -2.062 4.714 -0.941 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -0.736 6.549 -1.886 1.00 0.00 C ATOM 0 H LEU A 71 -3.876 5.673 -4.449 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.156 6.526 -4.651 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.547 4.117 -3.418 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.812 4.339 -3.317 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.835 6.278 -2.176 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.189 5.281 -0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.927 4.068 -1.092 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.161 4.104 -0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.864 7.119 -0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.161 5.934 -1.810 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.635 7.236 -2.726 1.00 0.00 H new ATOM 1112 N GLY A 72 -2.102 4.222 -6.644 1.00 0.00 N ATOM 1113 CA GLY A 72 -1.664 3.324 -7.692 1.00 0.00 C ATOM 1114 C GLY A 72 -1.815 1.876 -7.282 1.00 0.00 C ATOM 1115 O GLY A 72 -1.388 0.957 -7.998 1.00 0.00 O ATOM 0 H GLY A 72 -3.100 4.433 -6.644 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -2.243 3.509 -8.597 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -0.621 3.528 -7.934 1.00 0.00 H new ATOM 1119 N VAL A 73 -2.411 1.670 -6.137 1.00 0.00 N ATOM 1120 CA VAL A 73 -2.672 0.355 -5.633 1.00 0.00 C ATOM 1121 C VAL A 73 -3.917 -0.159 -6.326 1.00 0.00 C ATOM 1122 O VAL A 73 -4.989 0.419 -6.195 1.00 0.00 O ATOM 1123 CB VAL A 73 -2.944 0.385 -4.105 1.00 0.00 C ATOM 1124 CG1 VAL A 73 -3.194 -1.011 -3.568 1.00 0.00 C ATOM 1125 CG2 VAL A 73 -1.809 1.045 -3.357 1.00 0.00 C ATOM 0 H VAL A 73 -2.731 2.421 -5.525 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.806 -0.281 -5.819 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.844 0.979 -3.945 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.382 -0.960 -2.495 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.061 -1.443 -4.068 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.319 -1.634 -3.754 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.031 1.050 -2.290 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.887 0.492 -3.533 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.690 2.070 -3.707 1.00 0.00 H new ATOM 1135 N ARG A 74 -3.775 -1.198 -7.081 1.00 0.00 N ATOM 1136 CA ARG A 74 -4.890 -1.772 -7.787 1.00 0.00 C ATOM 1137 C ARG A 74 -5.037 -3.214 -7.402 1.00 0.00 C ATOM 1138 O ARG A 74 -4.328 -3.694 -6.524 1.00 0.00 O ATOM 1139 CB ARG A 74 -4.699 -1.645 -9.297 1.00 0.00 C ATOM 1140 CG ARG A 74 -4.681 -0.223 -9.814 1.00 0.00 C ATOM 1141 CD ARG A 74 -4.507 -0.195 -11.320 1.00 0.00 C ATOM 1142 NE ARG A 74 -3.227 -0.783 -11.741 1.00 0.00 N ATOM 1143 CZ ARG A 74 -2.874 -1.036 -13.006 1.00 0.00 C ATOM 1144 NH1 ARG A 74 -3.709 -0.785 -14.009 1.00 0.00 N ATOM 1145 NH2 ARG A 74 -1.686 -1.545 -13.262 1.00 0.00 N ATOM 0 H ARG A 74 -2.887 -1.678 -7.231 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.796 -1.230 -7.514 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.763 -2.130 -9.573 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -5.499 -2.189 -9.798 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.610 0.278 -9.542 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -3.870 0.330 -9.340 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.327 -0.739 -11.789 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -4.565 0.835 -11.672 1.00 0.00 H new ATOM 0 HE ARG A 74 -2.555 -1.017 -11.010 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.632 -0.395 -13.819 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -3.427 -0.983 -14.969 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -1.041 -1.744 -12.497 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.411 -1.740 -14.225 1.00 0.00 H new ATOM 1159 N ASP A 75 -5.943 -3.905 -8.040 1.00 0.00 N ATOM 1160 CA ASP A 75 -6.133 -5.312 -7.760 1.00 0.00 C ATOM 1161 C ASP A 75 -5.049 -6.113 -8.388 1.00 0.00 C ATOM 1162 O ASP A 75 -4.557 -5.781 -9.467 1.00 0.00 O ATOM 1163 CB ASP A 75 -7.515 -5.832 -8.174 1.00 0.00 C ATOM 1164 CG ASP A 75 -7.871 -5.582 -9.624 1.00 0.00 C ATOM 1165 OD1 ASP A 75 -7.517 -6.395 -10.491 1.00 0.00 O ATOM 1166 OD2 ASP A 75 -8.536 -4.569 -9.913 1.00 0.00 O ATOM 0 H ASP A 75 -6.562 -3.523 -8.755 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.083 -5.428 -6.677 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -7.558 -6.904 -7.982 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -8.270 -5.364 -7.542 1.00 0.00 H new ATOM 1171 N GLY A 76 -4.663 -7.143 -7.714 1.00 0.00 N ATOM 1172 CA GLY A 76 -3.568 -7.966 -8.186 1.00 0.00 C ATOM 1173 C GLY A 76 -2.231 -7.481 -7.651 1.00 0.00 C ATOM 1174 O GLY A 76 -1.164 -7.926 -8.085 1.00 0.00 O ATOM 0 H GLY A 76 -5.080 -7.446 -6.834 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.730 -8.999 -7.879 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.549 -7.957 -9.276 1.00 0.00 H new ATOM 1178 N TYR A 77 -2.298 -6.574 -6.711 1.00 0.00 N ATOM 1179 CA TYR A 77 -1.127 -6.004 -6.082 1.00 0.00 C ATOM 1180 C TYR A 77 -0.914 -6.577 -4.714 1.00 0.00 C ATOM 1181 O TYR A 77 -1.851 -7.104 -4.085 1.00 0.00 O ATOM 1182 CB TYR A 77 -1.223 -4.479 -6.005 1.00 0.00 C ATOM 1183 CG TYR A 77 -0.997 -3.774 -7.320 1.00 0.00 C ATOM 1184 CD1 TYR A 77 -1.835 -3.965 -8.409 1.00 0.00 C ATOM 1185 CD2 TYR A 77 0.066 -2.911 -7.463 1.00 0.00 C ATOM 1186 CE1 TYR A 77 -1.610 -3.315 -9.599 1.00 0.00 C ATOM 1187 CE2 TYR A 77 0.291 -2.260 -8.642 1.00 0.00 C ATOM 1188 CZ TYR A 77 -0.544 -2.463 -9.705 1.00 0.00 C ATOM 1189 OH TYR A 77 -0.296 -1.815 -10.887 1.00 0.00 O ATOM 0 H TYR A 77 -3.178 -6.203 -6.353 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.269 -6.263 -6.703 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.208 -4.208 -5.626 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.492 -4.117 -5.282 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.677 -4.635 -8.320 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.733 -2.746 -6.629 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -2.267 -3.475 -10.441 1.00 0.00 H new ATOM 0 HE2 TYR A 77 1.129 -1.585 -8.735 1.00 0.00 H new ATOM 0 HH TYR A 77 0.577 -2.092 -11.235 1.00 0.00 H new ATOM 1199 N ARG A 78 0.301 -6.508 -4.253 1.00 0.00 N ATOM 1200 CA ARG A 78 0.617 -6.987 -2.949 1.00 0.00 C ATOM 1201 C ARG A 78 1.238 -5.850 -2.147 1.00 0.00 C ATOM 1202 O ARG A 78 2.110 -5.120 -2.643 1.00 0.00 O ATOM 1203 CB ARG A 78 1.522 -8.246 -3.018 1.00 0.00 C ATOM 1204 CG ARG A 78 2.935 -8.018 -3.535 1.00 0.00 C ATOM 1205 CD ARG A 78 3.669 -9.338 -3.784 1.00 0.00 C ATOM 1206 NE ARG A 78 3.591 -10.272 -2.644 1.00 0.00 N ATOM 1207 CZ ARG A 78 4.621 -10.913 -2.071 1.00 0.00 C ATOM 1208 NH1 ARG A 78 5.875 -10.611 -2.379 1.00 0.00 N ATOM 1209 NH2 ARG A 78 4.369 -11.843 -1.172 1.00 0.00 N ATOM 0 H ARG A 78 1.091 -6.121 -4.769 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.291 -7.307 -2.437 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.586 -8.679 -2.020 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.037 -8.985 -3.656 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.895 -7.444 -4.461 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.494 -7.422 -2.814 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.249 -9.818 -4.668 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.716 -9.128 -4.002 1.00 0.00 H new ATOM 0 HE ARG A 78 2.665 -10.447 -2.254 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.070 -9.880 -3.063 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.644 -11.110 -1.932 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.405 -12.064 -0.923 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.138 -12.342 -0.725 1.00 0.00 H new ATOM 1223 N ILE A 79 0.782 -5.686 -0.939 1.00 0.00 N ATOM 1224 CA ILE A 79 1.224 -4.609 -0.091 1.00 0.00 C ATOM 1225 C ILE A 79 2.230 -5.194 0.875 1.00 0.00 C ATOM 1226 O ILE A 79 1.965 -6.229 1.493 1.00 0.00 O ATOM 1227 CB ILE A 79 0.051 -4.052 0.775 1.00 0.00 C ATOM 1228 CG1 ILE A 79 -1.193 -3.707 -0.070 1.00 0.00 C ATOM 1229 CG2 ILE A 79 0.515 -2.825 1.559 1.00 0.00 C ATOM 1230 CD1 ILE A 79 -0.989 -2.615 -1.082 1.00 0.00 C ATOM 0 H ILE A 79 0.089 -6.298 -0.509 1.00 0.00 H new ATOM 0 HA ILE A 79 1.628 -3.810 -0.712 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.242 -4.840 1.469 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.522 -4.607 -0.590 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -2.000 -3.414 0.601 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.310 -2.444 2.160 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.342 -3.102 2.213 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.845 -2.053 0.864 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.918 -2.445 -1.626 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.693 -1.698 -0.573 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.208 -2.909 -1.782 1.00 0.00 H new ATOM 1242 N HIS A 80 3.356 -4.578 1.009 1.00 0.00 N ATOM 1243 CA HIS A 80 4.354 -5.074 1.906 1.00 0.00 C ATOM 1244 C HIS A 80 4.656 -4.084 3.011 1.00 0.00 C ATOM 1245 O HIS A 80 5.084 -2.979 2.755 1.00 0.00 O ATOM 1246 CB HIS A 80 5.631 -5.450 1.142 1.00 0.00 C ATOM 1247 CG HIS A 80 6.756 -5.868 2.031 1.00 0.00 C ATOM 1248 ND1 HIS A 80 6.819 -7.099 2.630 1.00 0.00 N ATOM 1249 CD2 HIS A 80 7.837 -5.176 2.463 1.00 0.00 C ATOM 1250 CE1 HIS A 80 7.876 -7.155 3.404 1.00 0.00 C ATOM 1251 NE2 HIS A 80 8.520 -6.001 3.323 1.00 0.00 N ATOM 0 H HIS A 80 3.612 -3.727 0.509 1.00 0.00 H new ATOM 0 HA HIS A 80 3.957 -5.974 2.376 1.00 0.00 H new ATOM 0 HB2 HIS A 80 5.405 -6.261 0.450 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.950 -4.598 0.542 1.00 0.00 H new ATOM 0 HD1 HIS A 80 6.148 -7.855 2.495 1.00 0.00 H new ATOM 0 HD2 HIS A 80 8.110 -4.169 2.185 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.172 -8.001 4.007 1.00 0.00 H new ATOM 1260 N ALA A 81 4.442 -4.498 4.219 1.00 0.00 N ATOM 1261 CA ALA A 81 4.761 -3.694 5.364 1.00 0.00 C ATOM 1262 C ALA A 81 6.114 -4.133 5.914 1.00 0.00 C ATOM 1263 O ALA A 81 6.434 -5.328 5.899 1.00 0.00 O ATOM 1264 CB ALA A 81 3.675 -3.844 6.409 1.00 0.00 C ATOM 0 H ALA A 81 4.039 -5.408 4.444 1.00 0.00 H new ATOM 0 HA ALA A 81 4.819 -2.642 5.083 1.00 0.00 H new ATOM 0 HB1 ALA A 81 3.919 -3.233 7.278 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.722 -3.518 5.992 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.601 -4.889 6.710 1.00 0.00 H new ATOM 1270 N VAL A 82 6.907 -3.195 6.348 1.00 0.00 N ATOM 1271 CA VAL A 82 8.200 -3.488 6.897 1.00 0.00 C ATOM 1272 C VAL A 82 8.489 -2.524 8.055 1.00 0.00 C ATOM 1273 O VAL A 82 8.271 -1.312 7.939 1.00 0.00 O ATOM 1274 CB VAL A 82 9.299 -3.398 5.782 1.00 0.00 C ATOM 1275 CG1 VAL A 82 9.439 -2.003 5.189 1.00 0.00 C ATOM 1276 CG2 VAL A 82 10.627 -3.929 6.251 1.00 0.00 C ATOM 0 H VAL A 82 6.674 -2.202 6.331 1.00 0.00 H new ATOM 0 HA VAL A 82 8.214 -4.507 7.285 1.00 0.00 H new ATOM 0 HB VAL A 82 8.951 -4.043 4.975 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.215 -2.009 4.424 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.492 -1.701 4.742 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.710 -1.299 5.976 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.357 -3.846 5.446 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.967 -3.351 7.110 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.520 -4.975 6.538 1.00 0.00 H new ATOM 1286 N ASP A 83 8.946 -3.054 9.167 1.00 0.00 N ATOM 1287 CA ASP A 83 9.196 -2.262 10.317 1.00 0.00 C ATOM 1288 C ASP A 83 10.570 -1.631 10.238 1.00 0.00 C ATOM 1289 O ASP A 83 11.541 -2.245 9.767 1.00 0.00 O ATOM 1290 CB ASP A 83 9.089 -3.099 11.582 1.00 0.00 C ATOM 1291 CG ASP A 83 10.316 -3.935 11.882 1.00 0.00 C ATOM 1292 OD1 ASP A 83 10.466 -5.020 11.313 1.00 0.00 O ATOM 1293 OD2 ASP A 83 11.138 -3.517 12.729 1.00 0.00 O ATOM 0 H ASP A 83 9.150 -4.046 9.285 1.00 0.00 H new ATOM 0 HA ASP A 83 8.444 -1.474 10.352 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.899 -2.437 12.427 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.226 -3.759 11.495 1.00 0.00 H new ATOM 1298 N VAL A 84 10.645 -0.415 10.664 1.00 0.00 N ATOM 1299 CA VAL A 84 11.881 0.314 10.682 1.00 0.00 C ATOM 1300 C VAL A 84 12.520 0.237 12.078 1.00 0.00 C ATOM 1301 O VAL A 84 13.736 0.348 12.222 1.00 0.00 O ATOM 1302 CB VAL A 84 11.643 1.799 10.289 1.00 0.00 C ATOM 1303 CG1 VAL A 84 12.942 2.588 10.251 1.00 0.00 C ATOM 1304 CG2 VAL A 84 10.923 1.900 8.947 1.00 0.00 C ATOM 0 H VAL A 84 9.845 0.112 11.014 1.00 0.00 H new ATOM 0 HA VAL A 84 12.558 -0.135 9.955 1.00 0.00 H new ATOM 0 HB VAL A 84 11.009 2.237 11.060 1.00 0.00 H new ATOM 0 HG11 VAL A 84 12.732 3.621 9.972 1.00 0.00 H new ATOM 0 HG12 VAL A 84 13.410 2.566 11.235 1.00 0.00 H new ATOM 0 HG13 VAL A 84 13.616 2.144 9.518 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.769 2.949 8.695 1.00 0.00 H new ATOM 0 HG22 VAL A 84 11.527 1.426 8.173 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.958 1.397 9.013 1.00 0.00 H new ATOM 1314 N THR A 85 11.700 -0.022 13.092 1.00 0.00 N ATOM 1315 CA THR A 85 12.155 0.011 14.489 1.00 0.00 C ATOM 1316 C THR A 85 13.172 -1.096 14.810 1.00 0.00 C ATOM 1317 O THR A 85 14.077 -0.906 15.633 1.00 0.00 O ATOM 1318 CB THR A 85 10.951 -0.044 15.472 1.00 0.00 C ATOM 1319 OG1 THR A 85 11.374 0.143 16.832 1.00 0.00 O ATOM 1320 CG2 THR A 85 10.193 -1.364 15.354 1.00 0.00 C ATOM 0 H THR A 85 10.714 -0.258 12.978 1.00 0.00 H new ATOM 0 HA THR A 85 12.671 0.962 14.623 1.00 0.00 H new ATOM 0 HB THR A 85 10.283 0.772 15.195 1.00 0.00 H new ATOM 0 HG1 THR A 85 10.595 0.105 17.425 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.358 -1.368 16.055 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.814 -1.477 14.338 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.865 -2.191 15.585 1.00 0.00 H new ATOM 1328 N GLY A 86 13.033 -2.216 14.168 1.00 0.00 N ATOM 1329 CA GLY A 86 13.980 -3.285 14.347 1.00 0.00 C ATOM 1330 C GLY A 86 14.871 -3.392 13.154 1.00 0.00 C ATOM 1331 O GLY A 86 15.797 -4.204 13.120 1.00 0.00 O ATOM 0 H GLY A 86 12.276 -2.418 13.515 1.00 0.00 H new ATOM 0 HA2 GLY A 86 14.577 -3.105 15.241 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.452 -4.226 14.501 1.00 0.00 H new ATOM 1335 N GLY A 87 14.585 -2.543 12.166 1.00 0.00 N ATOM 1336 CA GLY A 87 15.316 -2.537 10.911 1.00 0.00 C ATOM 1337 C GLY A 87 15.334 -3.898 10.257 1.00 0.00 C ATOM 1338 O GLY A 87 16.352 -4.321 9.712 1.00 0.00 O ATOM 0 H GLY A 87 13.843 -1.846 12.218 1.00 0.00 H new ATOM 0 HA2 GLY A 87 14.863 -1.815 10.232 1.00 0.00 H new ATOM 0 HA3 GLY A 87 16.340 -2.208 11.090 1.00 0.00 H new ATOM 1342 N ASN A 88 14.220 -4.602 10.315 1.00 0.00 N ATOM 1343 CA ASN A 88 14.192 -5.929 9.761 1.00 0.00 C ATOM 1344 C ASN A 88 13.863 -5.858 8.298 1.00 0.00 C ATOM 1345 O ASN A 88 12.838 -5.333 7.918 1.00 0.00 O ATOM 1346 CB ASN A 88 13.158 -6.832 10.469 1.00 0.00 C ATOM 1347 CG ASN A 88 13.365 -6.978 11.965 1.00 0.00 C ATOM 1348 OD1 ASN A 88 14.106 -7.847 12.422 1.00 0.00 O ATOM 1349 ND2 ASN A 88 12.670 -6.173 12.737 1.00 0.00 N ATOM 0 H ASN A 88 13.345 -4.282 10.731 1.00 0.00 H new ATOM 0 HA ASN A 88 15.179 -6.367 9.910 1.00 0.00 H new ATOM 0 HB2 ASN A 88 12.161 -6.429 10.291 1.00 0.00 H new ATOM 0 HB3 ASN A 88 13.187 -7.822 10.013 1.00 0.00 H new ATOM 0 HD21 ASN A 88 12.735 -6.257 13.751 1.00 0.00 H new ATOM 0 HD22 ASN A 88 12.066 -5.464 12.322 1.00 0.00 H new ATOM 1356 N GLU A 89 14.740 -6.371 7.501 1.00 0.00 N ATOM 1357 CA GLU A 89 14.565 -6.482 6.057 1.00 0.00 C ATOM 1358 C GLU A 89 15.571 -7.473 5.537 1.00 0.00 C ATOM 1359 O GLU A 89 15.861 -7.566 4.343 1.00 0.00 O ATOM 1360 CB GLU A 89 14.615 -5.082 5.346 1.00 0.00 C ATOM 1361 CG GLU A 89 15.802 -4.157 5.684 1.00 0.00 C ATOM 1362 CD GLU A 89 17.139 -4.639 5.194 1.00 0.00 C ATOM 1363 OE1 GLU A 89 17.472 -4.405 4.009 1.00 0.00 O ATOM 1364 OE2 GLU A 89 17.887 -5.239 5.986 1.00 0.00 O ATOM 0 H GLU A 89 15.632 -6.741 7.828 1.00 0.00 H new ATOM 0 HA GLU A 89 13.568 -6.857 5.824 1.00 0.00 H new ATOM 0 HB2 GLU A 89 14.615 -5.251 4.269 1.00 0.00 H new ATOM 0 HB3 GLU A 89 13.694 -4.550 5.585 1.00 0.00 H new ATOM 0 HG2 GLU A 89 15.609 -3.172 5.259 1.00 0.00 H new ATOM 0 HG3 GLU A 89 15.851 -4.033 6.766 1.00 0.00 H new ATOM 1371 N ASP A 90 16.013 -8.282 6.465 1.00 0.00 N ATOM 1372 CA ASP A 90 17.035 -9.261 6.276 1.00 0.00 C ATOM 1373 C ASP A 90 16.731 -10.435 7.157 1.00 0.00 C ATOM 1374 O ASP A 90 16.367 -11.498 6.631 1.00 0.00 O ATOM 1375 CB ASP A 90 18.397 -8.680 6.611 1.00 0.00 C ATOM 1376 CG ASP A 90 19.499 -9.706 6.589 1.00 0.00 C ATOM 1377 OD1 ASP A 90 19.855 -10.186 5.502 1.00 0.00 O ATOM 1378 OD2 ASP A 90 20.048 -10.016 7.665 1.00 0.00 O ATOM 0 H ASP A 90 15.648 -8.270 7.417 1.00 0.00 H new ATOM 0 HA ASP A 90 17.059 -9.577 5.233 1.00 0.00 H new ATOM 0 HB2 ASP A 90 18.632 -7.888 5.900 1.00 0.00 H new ATOM 0 HB3 ASP A 90 18.356 -8.220 7.599 1.00 0.00 H new TER 1383 ASP A 90