USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 441 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: B 3 THR OG1 : rot -53:sc= -1.53 USER MOD Set 1.2: B 6 GLN : amide:sc= -2.25 K(o=-3.8,f=-1.6!) USER MOD Single : A 3 THR OG1 : rot -51:sc= 0.153 USER MOD Single : A 4 LYS NZ :NH3+ -156:sc= 0.0382 (180deg=-0.604) USER MOD Single : A 6 GLN : amide:sc= -0.0675 K(o=-0.068,f=-1.5) USER MOD Single : A 14 MET CE :methyl 178:sc= 0 (180deg=-0.00478) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0718 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 89:sc= 0.0262 USER MOD Single : A 26 MET CE :methyl 175:sc= -1.67 (180deg=-1.74) USER MOD Single : A 29 LYS NZ :NH3+ -118:sc= 0.284 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ -178:sc= 1.01 (180deg=1.01) USER MOD Single : B 14 MET CE :methyl 177:sc= 0 (180deg=-0.0107) USER MOD Single : B 15 SER OG : rot 180:sc= 0.0669 USER MOD Single : B 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 26 MET CE :methyl 166:sc= -0.963 (180deg=-2.09) USER MOD Single : B 29 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0602) USER MOD ----------------------------------------------------------------- ATOM 31 N THR A 3 -0.468 -0.583 -12.433 1.00 0.00 N ATOM 32 CA THR A 3 -1.867 -0.270 -12.669 1.00 0.00 C ATOM 33 C THR A 3 -2.645 -0.274 -11.352 1.00 0.00 C ATOM 34 O THR A 3 -2.204 -0.867 -10.368 1.00 0.00 O ATOM 35 CB THR A 3 -2.407 -1.268 -13.696 1.00 0.00 C ATOM 36 OG1 THR A 3 -2.019 -2.539 -13.183 1.00 0.00 O ATOM 37 CG2 THR A 3 -1.685 -1.173 -15.041 1.00 0.00 C ATOM 0 HA THR A 3 -1.984 0.734 -13.076 1.00 0.00 H new ATOM 0 HB THR A 3 -3.473 -1.095 -13.843 1.00 0.00 H new ATOM 0 HG1 THR A 3 -1.063 -2.527 -12.969 1.00 0.00 H new ATOM 0 HG21 THR A 3 -2.107 -1.902 -15.733 1.00 0.00 H new ATOM 0 HG22 THR A 3 -1.809 -0.170 -15.450 1.00 0.00 H new ATOM 0 HG23 THR A 3 -0.624 -1.379 -14.900 1.00 0.00 H new ATOM 45 N LYS A 4 -3.788 0.395 -11.375 1.00 0.00 N ATOM 46 CA LYS A 4 -4.626 0.485 -10.191 1.00 0.00 C ATOM 47 C LYS A 4 -4.990 -0.924 -9.720 1.00 0.00 C ATOM 48 O LYS A 4 -4.908 -1.225 -8.530 1.00 0.00 O ATOM 49 CB LYS A 4 -5.841 1.376 -10.461 1.00 0.00 C ATOM 50 CG LYS A 4 -5.494 2.852 -10.259 1.00 0.00 C ATOM 51 CD LYS A 4 -6.613 3.755 -10.781 1.00 0.00 C ATOM 52 CE LYS A 4 -6.593 3.824 -12.310 1.00 0.00 C ATOM 53 NZ LYS A 4 -5.307 4.380 -12.786 1.00 0.00 N ATOM 0 H LYS A 4 -4.154 0.880 -12.194 1.00 0.00 H new ATOM 0 HA LYS A 4 -4.083 0.963 -9.376 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -6.193 1.218 -11.480 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.657 1.096 -9.795 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -5.328 3.048 -9.200 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -4.563 3.084 -10.776 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -7.578 3.377 -10.443 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -6.500 4.757 -10.367 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -6.742 2.828 -12.727 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -7.417 4.444 -12.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -5.437 4.796 -13.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -4.981 5.115 -12.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -4.598 3.621 -12.837 1.00 0.00 H new ATOM 67 N ASP A 5 -5.383 -1.751 -10.678 1.00 0.00 N ATOM 68 CA ASP A 5 -5.791 -3.111 -10.372 1.00 0.00 C ATOM 69 C ASP A 5 -4.630 -3.849 -9.701 1.00 0.00 C ATOM 70 O ASP A 5 -4.828 -4.564 -8.720 1.00 0.00 O ATOM 71 CB ASP A 5 -6.163 -3.875 -11.645 1.00 0.00 C ATOM 72 CG ASP A 5 -7.562 -3.581 -12.189 1.00 0.00 C ATOM 73 OD1 ASP A 5 -8.412 -3.161 -11.373 1.00 0.00 O ATOM 74 OD2 ASP A 5 -7.751 -3.782 -13.408 1.00 0.00 O ATOM 0 H ASP A 5 -5.427 -1.505 -11.667 1.00 0.00 H new ATOM 0 HA ASP A 5 -6.659 -3.062 -9.714 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -5.432 -3.640 -12.419 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -6.084 -4.944 -11.446 1.00 0.00 H new ATOM 79 N GLN A 6 -3.444 -3.649 -10.257 1.00 0.00 N ATOM 80 CA GLN A 6 -2.258 -4.317 -9.749 1.00 0.00 C ATOM 81 C GLN A 6 -2.095 -4.046 -8.252 1.00 0.00 C ATOM 82 O GLN A 6 -1.557 -4.876 -7.522 1.00 0.00 O ATOM 83 CB GLN A 6 -1.011 -3.885 -10.524 1.00 0.00 C ATOM 84 CG GLN A 6 -0.761 -4.808 -11.719 1.00 0.00 C ATOM 85 CD GLN A 6 -0.132 -6.128 -11.269 1.00 0.00 C ATOM 86 OE1 GLN A 6 0.050 -6.390 -10.092 1.00 0.00 O ATOM 87 NE2 GLN A 6 0.187 -6.944 -12.270 1.00 0.00 N ATOM 0 H GLN A 6 -3.279 -3.034 -11.054 1.00 0.00 H new ATOM 0 HA GLN A 6 -2.381 -5.391 -9.892 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -1.132 -2.859 -10.871 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -0.145 -3.898 -9.863 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -1.701 -5.006 -12.233 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -0.104 -4.313 -12.434 1.00 0.00 H new ATOM 0 HE21 GLN A 6 0.008 -6.663 -13.234 1.00 0.00 H new ATOM 0 HE22 GLN A 6 0.611 -7.851 -12.074 1.00 0.00 H new ATOM 96 N ILE A 7 -2.569 -2.879 -7.840 1.00 0.00 N ATOM 97 CA ILE A 7 -2.451 -2.473 -6.450 1.00 0.00 C ATOM 98 C ILE A 7 -3.493 -3.220 -5.615 1.00 0.00 C ATOM 99 O ILE A 7 -3.243 -3.552 -4.457 1.00 0.00 O ATOM 100 CB ILE A 7 -2.543 -0.950 -6.328 1.00 0.00 C ATOM 101 CG1 ILE A 7 -1.431 -0.268 -7.128 1.00 0.00 C ATOM 102 CG2 ILE A 7 -2.541 -0.517 -4.860 1.00 0.00 C ATOM 103 CD1 ILE A 7 -0.052 -0.732 -6.656 1.00 0.00 C ATOM 0 H ILE A 7 -3.035 -2.202 -8.444 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.472 -2.744 -6.055 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.492 -0.629 -6.757 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.551 -0.492 -8.188 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.511 0.814 -7.020 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.607 0.569 -4.801 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.395 -0.961 -4.349 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.619 -0.851 -4.383 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.720 -0.232 -7.241 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.074 -0.485 -5.602 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.034 -1.811 -6.788 1.00 0.00 H new ATOM 115 N ILE A 8 -4.638 -3.463 -6.234 1.00 0.00 N ATOM 116 CA ILE A 8 -5.708 -4.189 -5.572 1.00 0.00 C ATOM 117 C ILE A 8 -5.200 -5.573 -5.160 1.00 0.00 C ATOM 118 O ILE A 8 -5.392 -5.994 -4.021 1.00 0.00 O ATOM 119 CB ILE A 8 -6.956 -4.230 -6.456 1.00 0.00 C ATOM 120 CG1 ILE A 8 -7.411 -2.818 -6.829 1.00 0.00 C ATOM 121 CG2 ILE A 8 -8.074 -5.035 -5.791 1.00 0.00 C ATOM 122 CD1 ILE A 8 -8.741 -2.851 -7.584 1.00 0.00 C ATOM 0 H ILE A 8 -4.849 -3.170 -7.188 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.010 -3.674 -4.660 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.699 -4.741 -7.384 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.516 -2.216 -5.927 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.651 -2.338 -7.445 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.949 -5.048 -6.441 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.734 -6.056 -5.619 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.336 -4.575 -4.838 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -9.041 -1.834 -7.837 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.626 -3.433 -8.498 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -9.505 -3.309 -6.956 1.00 0.00 H new ATOM 134 N GLU A 9 -4.563 -6.241 -6.111 1.00 0.00 N ATOM 135 CA GLU A 9 -4.066 -7.586 -5.875 1.00 0.00 C ATOM 136 C GLU A 9 -2.860 -7.549 -4.935 1.00 0.00 C ATOM 137 O GLU A 9 -2.462 -8.577 -4.389 1.00 0.00 O ATOM 138 CB GLU A 9 -3.714 -8.278 -7.193 1.00 0.00 C ATOM 139 CG GLU A 9 -4.962 -8.492 -8.051 1.00 0.00 C ATOM 140 CD GLU A 9 -4.616 -9.225 -9.349 1.00 0.00 C ATOM 141 OE1 GLU A 9 -4.048 -8.560 -10.242 1.00 0.00 O ATOM 142 OE2 GLU A 9 -4.927 -10.434 -9.419 1.00 0.00 O ATOM 0 H GLU A 9 -4.380 -5.876 -7.046 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.855 -8.166 -5.397 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.990 -7.676 -7.742 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.240 -9.238 -6.988 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.699 -9.067 -7.490 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.418 -7.529 -8.283 1.00 0.00 H new ATOM 149 N ALA A 10 -2.311 -6.354 -4.775 1.00 0.00 N ATOM 150 CA ALA A 10 -1.149 -6.172 -3.923 1.00 0.00 C ATOM 151 C ALA A 10 -1.591 -6.170 -2.458 1.00 0.00 C ATOM 152 O ALA A 10 -0.903 -6.714 -1.597 1.00 0.00 O ATOM 153 CB ALA A 10 -0.424 -4.882 -4.315 1.00 0.00 C ATOM 0 H ALA A 10 -2.650 -5.502 -5.221 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.445 -6.994 -4.054 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.448 -4.746 -3.675 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.105 -4.946 -5.355 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.099 -4.034 -4.194 1.00 0.00 H new ATOM 159 N VAL A 11 -2.739 -5.550 -2.221 1.00 0.00 N ATOM 160 CA VAL A 11 -3.274 -5.458 -0.874 1.00 0.00 C ATOM 161 C VAL A 11 -3.983 -6.767 -0.520 1.00 0.00 C ATOM 162 O VAL A 11 -4.208 -7.057 0.654 1.00 0.00 O ATOM 163 CB VAL A 11 -4.185 -4.234 -0.755 1.00 0.00 C ATOM 164 CG1 VAL A 11 -5.016 -4.291 0.528 1.00 0.00 C ATOM 165 CG2 VAL A 11 -3.373 -2.938 -0.826 1.00 0.00 C ATOM 0 H VAL A 11 -3.312 -5.107 -2.939 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.469 -5.319 -0.153 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.874 -4.245 -1.600 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -5.654 -3.409 0.588 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.636 -5.188 0.521 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.351 -4.316 1.391 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.044 -2.083 -0.739 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.650 -2.916 -0.010 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.846 -2.890 -1.779 1.00 0.00 H new ATOM 175 N ALA A 12 -4.316 -7.521 -1.557 1.00 0.00 N ATOM 176 CA ALA A 12 -5.015 -8.781 -1.372 1.00 0.00 C ATOM 177 C ALA A 12 -3.994 -9.896 -1.137 1.00 0.00 C ATOM 178 O ALA A 12 -4.339 -11.076 -1.173 1.00 0.00 O ATOM 179 CB ALA A 12 -5.906 -9.053 -2.586 1.00 0.00 C ATOM 0 H ALA A 12 -4.115 -7.284 -2.528 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.662 -8.736 -0.496 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.431 -9.998 -2.448 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.632 -8.247 -2.692 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.291 -9.108 -3.484 1.00 0.00 H new ATOM 185 N ALA A 13 -2.758 -9.483 -0.900 1.00 0.00 N ATOM 186 CA ALA A 13 -1.680 -10.432 -0.683 1.00 0.00 C ATOM 187 C ALA A 13 -1.384 -10.527 0.815 1.00 0.00 C ATOM 188 O ALA A 13 -0.870 -11.540 1.287 1.00 0.00 O ATOM 189 CB ALA A 13 -0.454 -10.007 -1.494 1.00 0.00 C ATOM 0 H ALA A 13 -2.479 -8.503 -0.853 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.969 -11.426 -1.026 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.355 -10.719 -1.331 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.709 -9.984 -2.554 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.133 -9.015 -1.176 1.00 0.00 H new ATOM 195 N MET A 14 -1.721 -9.458 1.522 1.00 0.00 N ATOM 196 CA MET A 14 -1.486 -9.403 2.954 1.00 0.00 C ATOM 197 C MET A 14 -2.715 -9.881 3.730 1.00 0.00 C ATOM 198 O MET A 14 -3.777 -10.097 3.147 1.00 0.00 O ATOM 199 CB MET A 14 -1.151 -7.967 3.362 1.00 0.00 C ATOM 200 CG MET A 14 0.128 -7.487 2.675 1.00 0.00 C ATOM 201 SD MET A 14 -0.274 -6.327 1.379 1.00 0.00 S ATOM 202 CE MET A 14 0.480 -4.850 2.040 1.00 0.00 C ATOM 0 H MET A 14 -2.155 -8.623 1.129 1.00 0.00 H new ATOM 0 HA MET A 14 -0.651 -10.062 3.192 1.00 0.00 H new ATOM 0 HB2 MET A 14 -1.979 -7.308 3.099 1.00 0.00 H new ATOM 0 HB3 MET A 14 -1.030 -7.911 4.444 1.00 0.00 H new ATOM 0 HG2 MET A 14 0.788 -7.016 3.404 1.00 0.00 H new ATOM 0 HG3 MET A 14 0.668 -8.337 2.259 1.00 0.00 H new ATOM 0 HE1 MET A 14 0.353 -4.029 1.334 1.00 0.00 H new ATOM 0 HE2 MET A 14 0.005 -4.591 2.986 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.543 -5.026 2.204 1.00 0.00 H new ATOM 212 N SER A 15 -2.531 -10.033 5.033 1.00 0.00 N ATOM 213 CA SER A 15 -3.606 -10.501 5.892 1.00 0.00 C ATOM 214 C SER A 15 -4.664 -9.407 6.050 1.00 0.00 C ATOM 215 O SER A 15 -4.384 -8.231 5.823 1.00 0.00 O ATOM 216 CB SER A 15 -3.072 -10.924 7.262 1.00 0.00 C ATOM 217 OG SER A 15 -1.847 -10.270 7.583 1.00 0.00 O ATOM 0 H SER A 15 -1.653 -9.840 5.515 1.00 0.00 H new ATOM 0 HA SER A 15 -4.062 -11.374 5.424 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.815 -10.697 8.026 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.921 -12.003 7.275 1.00 0.00 H new ATOM 0 HG SER A 15 -1.540 -10.565 8.466 1.00 0.00 H new ATOM 223 N VAL A 16 -5.857 -9.833 6.437 1.00 0.00 N ATOM 224 CA VAL A 16 -6.965 -8.908 6.603 1.00 0.00 C ATOM 225 C VAL A 16 -6.567 -7.816 7.598 1.00 0.00 C ATOM 226 O VAL A 16 -6.801 -6.633 7.353 1.00 0.00 O ATOM 227 CB VAL A 16 -8.224 -9.669 7.023 1.00 0.00 C ATOM 228 CG1 VAL A 16 -9.361 -8.703 7.361 1.00 0.00 C ATOM 229 CG2 VAL A 16 -8.651 -10.662 5.941 1.00 0.00 C ATOM 0 H VAL A 16 -6.081 -10.807 6.641 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.198 -8.418 5.658 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.988 -10.236 7.923 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -10.244 -9.270 7.656 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.055 -8.054 8.181 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.595 -8.096 6.486 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.548 -11.190 6.265 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.860 -10.125 5.016 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.849 -11.381 5.770 1.00 0.00 H new ATOM 239 N MET A 17 -5.972 -8.251 8.699 1.00 0.00 N ATOM 240 CA MET A 17 -5.524 -7.323 9.724 1.00 0.00 C ATOM 241 C MET A 17 -4.525 -6.315 9.152 1.00 0.00 C ATOM 242 O MET A 17 -4.634 -5.116 9.405 1.00 0.00 O ATOM 243 CB MET A 17 -4.866 -8.102 10.865 1.00 0.00 C ATOM 244 CG MET A 17 -5.892 -8.476 11.937 1.00 0.00 C ATOM 245 SD MET A 17 -6.342 -7.030 12.881 1.00 0.00 S ATOM 246 CE MET A 17 -7.289 -7.795 14.187 1.00 0.00 C ATOM 0 H MET A 17 -5.790 -9.233 8.904 1.00 0.00 H new ATOM 0 HA MET A 17 -6.390 -6.776 10.097 1.00 0.00 H new ATOM 0 HB2 MET A 17 -4.400 -9.005 10.472 1.00 0.00 H new ATOM 0 HB3 MET A 17 -4.072 -7.502 11.310 1.00 0.00 H new ATOM 0 HG2 MET A 17 -6.778 -8.906 11.470 1.00 0.00 H new ATOM 0 HG3 MET A 17 -5.479 -9.238 12.598 1.00 0.00 H new ATOM 0 HE1 MET A 17 -7.649 -7.028 14.873 1.00 0.00 H new ATOM 0 HE2 MET A 17 -8.139 -8.326 13.757 1.00 0.00 H new ATOM 0 HE3 MET A 17 -6.658 -8.499 14.729 1.00 0.00 H new ATOM 256 N ASP A 18 -3.575 -6.838 8.391 1.00 0.00 N ATOM 257 CA ASP A 18 -2.545 -6.001 7.800 1.00 0.00 C ATOM 258 C ASP A 18 -3.195 -4.991 6.852 1.00 0.00 C ATOM 259 O ASP A 18 -2.647 -3.917 6.613 1.00 0.00 O ATOM 260 CB ASP A 18 -1.553 -6.839 6.990 1.00 0.00 C ATOM 261 CG ASP A 18 -0.387 -6.054 6.385 1.00 0.00 C ATOM 262 OD1 ASP A 18 -0.613 -5.427 5.328 1.00 0.00 O ATOM 263 OD2 ASP A 18 0.704 -6.099 6.994 1.00 0.00 O ATOM 0 H ASP A 18 -3.497 -7.831 8.170 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.016 -5.496 8.608 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.150 -7.621 7.634 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.093 -7.337 6.185 1.00 0.00 H new ATOM 268 N VAL A 19 -4.356 -5.372 6.339 1.00 0.00 N ATOM 269 CA VAL A 19 -5.075 -4.524 5.404 1.00 0.00 C ATOM 270 C VAL A 19 -5.854 -3.462 6.181 1.00 0.00 C ATOM 271 O VAL A 19 -5.988 -2.327 5.726 1.00 0.00 O ATOM 272 CB VAL A 19 -5.967 -5.379 4.501 1.00 0.00 C ATOM 273 CG1 VAL A 19 -7.004 -4.516 3.779 1.00 0.00 C ATOM 274 CG2 VAL A 19 -5.129 -6.180 3.503 1.00 0.00 C ATOM 0 H VAL A 19 -4.816 -6.257 6.553 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.378 -4.001 4.749 1.00 0.00 H new ATOM 0 HB VAL A 19 -6.503 -6.087 5.133 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.625 -5.148 3.144 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.632 -4.011 4.513 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.495 -3.773 3.165 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.787 -6.779 2.873 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.554 -5.496 2.879 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.448 -6.837 4.044 1.00 0.00 H new ATOM 284 N VAL A 20 -6.348 -3.867 7.342 1.00 0.00 N ATOM 285 CA VAL A 20 -7.102 -2.961 8.192 1.00 0.00 C ATOM 286 C VAL A 20 -6.188 -1.825 8.656 1.00 0.00 C ATOM 287 O VAL A 20 -6.582 -0.660 8.639 1.00 0.00 O ATOM 288 CB VAL A 20 -7.731 -3.735 9.353 1.00 0.00 C ATOM 289 CG1 VAL A 20 -8.160 -2.786 10.474 1.00 0.00 C ATOM 290 CG2 VAL A 20 -8.909 -4.584 8.871 1.00 0.00 C ATOM 0 H VAL A 20 -6.241 -4.811 7.714 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.924 -2.510 7.636 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.976 -4.410 9.756 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.604 -3.360 11.287 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.290 -2.244 10.845 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.892 -2.076 10.089 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.338 -5.124 9.715 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.668 -3.937 8.431 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.562 -5.297 8.123 1.00 0.00 H new ATOM 300 N GLU A 21 -4.984 -2.204 9.060 1.00 0.00 N ATOM 301 CA GLU A 21 -4.001 -1.229 9.498 1.00 0.00 C ATOM 302 C GLU A 21 -3.657 -0.270 8.356 1.00 0.00 C ATOM 303 O GLU A 21 -3.606 0.943 8.553 1.00 0.00 O ATOM 304 CB GLU A 21 -2.744 -1.919 10.031 1.00 0.00 C ATOM 305 CG GLU A 21 -2.992 -2.516 11.418 1.00 0.00 C ATOM 306 CD GLU A 21 -1.724 -3.174 11.967 1.00 0.00 C ATOM 307 OE1 GLU A 21 -0.757 -2.423 12.216 1.00 0.00 O ATOM 308 OE2 GLU A 21 -1.752 -4.414 12.124 1.00 0.00 O ATOM 0 H GLU A 21 -4.668 -3.173 9.093 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.432 -0.650 10.315 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.437 -2.706 9.342 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.925 -1.202 10.081 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.325 -1.734 12.100 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.793 -3.253 11.363 1.00 0.00 H new ATOM 315 N LEU A 22 -3.432 -0.851 7.187 1.00 0.00 N ATOM 316 CA LEU A 22 -3.124 -0.061 6.006 1.00 0.00 C ATOM 317 C LEU A 22 -4.220 0.987 5.800 1.00 0.00 C ATOM 318 O LEU A 22 -3.966 2.185 5.913 1.00 0.00 O ATOM 319 CB LEU A 22 -2.907 -0.971 4.795 1.00 0.00 C ATOM 320 CG LEU A 22 -2.447 -0.279 3.511 1.00 0.00 C ATOM 321 CD1 LEU A 22 -1.407 -1.125 2.774 1.00 0.00 C ATOM 322 CD2 LEU A 22 -3.640 0.069 2.618 1.00 0.00 C ATOM 0 H LEU A 22 -3.457 -1.859 7.032 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.187 0.479 6.141 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.169 -1.727 5.061 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.840 -1.495 4.588 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.964 0.659 3.783 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.097 -0.610 1.865 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.541 -1.279 3.417 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.841 -2.090 2.514 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.285 0.560 1.712 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.173 -0.843 2.351 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.313 0.739 3.154 1.00 0.00 H new ATOM 334 N ILE A 23 -5.414 0.497 5.500 1.00 0.00 N ATOM 335 CA ILE A 23 -6.538 1.378 5.233 1.00 0.00 C ATOM 336 C ILE A 23 -6.630 2.431 6.338 1.00 0.00 C ATOM 337 O ILE A 23 -6.883 3.603 6.065 1.00 0.00 O ATOM 338 CB ILE A 23 -7.822 0.567 5.048 1.00 0.00 C ATOM 339 CG1 ILE A 23 -7.824 -0.157 3.700 1.00 0.00 C ATOM 340 CG2 ILE A 23 -9.059 1.450 5.226 1.00 0.00 C ATOM 341 CD1 ILE A 23 -8.958 -1.182 3.630 1.00 0.00 C ATOM 0 H ILE A 23 -5.627 -0.498 5.436 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.388 1.913 4.295 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.858 -0.197 5.824 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -7.934 0.568 2.894 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.867 -0.657 3.550 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.958 0.849 5.089 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.058 1.879 6.228 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -9.043 2.252 4.488 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.937 -1.682 2.662 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.831 -1.920 4.422 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.915 -0.675 3.756 1.00 0.00 H new ATOM 353 N SER A 24 -6.418 1.976 7.565 1.00 0.00 N ATOM 354 CA SER A 24 -6.539 2.850 8.719 1.00 0.00 C ATOM 355 C SER A 24 -5.476 3.948 8.657 1.00 0.00 C ATOM 356 O SER A 24 -5.741 5.095 9.016 1.00 0.00 O ATOM 357 CB SER A 24 -6.412 2.061 10.023 1.00 0.00 C ATOM 358 OG SER A 24 -7.668 1.554 10.465 1.00 0.00 O ATOM 0 H SER A 24 -6.163 1.013 7.784 1.00 0.00 H new ATOM 0 HA SER A 24 -7.528 3.309 8.699 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.717 1.233 9.880 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.988 2.703 10.795 1.00 0.00 H new ATOM 0 HG SER A 24 -7.822 0.671 10.070 1.00 0.00 H new ATOM 364 N ALA A 25 -4.295 3.560 8.199 1.00 0.00 N ATOM 365 CA ALA A 25 -3.188 4.495 8.095 1.00 0.00 C ATOM 366 C ALA A 25 -3.564 5.618 7.127 1.00 0.00 C ATOM 367 O ALA A 25 -3.714 6.769 7.533 1.00 0.00 O ATOM 368 CB ALA A 25 -1.927 3.746 7.658 1.00 0.00 C ATOM 0 H ALA A 25 -4.081 2.610 7.896 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.978 4.951 9.063 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.096 4.447 7.580 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.686 2.979 8.394 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.099 3.278 6.689 1.00 0.00 H new ATOM 374 N MET A 26 -3.706 5.244 5.863 1.00 0.00 N ATOM 375 CA MET A 26 -4.023 6.212 4.827 1.00 0.00 C ATOM 376 C MET A 26 -5.200 7.096 5.244 1.00 0.00 C ATOM 377 O MET A 26 -5.215 8.292 4.959 1.00 0.00 O ATOM 378 CB MET A 26 -4.369 5.478 3.531 1.00 0.00 C ATOM 379 CG MET A 26 -3.131 4.803 2.935 1.00 0.00 C ATOM 380 SD MET A 26 -3.598 3.792 1.541 1.00 0.00 S ATOM 381 CE MET A 26 -2.027 3.032 1.169 1.00 0.00 C ATOM 0 H MET A 26 -3.607 4.284 5.534 1.00 0.00 H new ATOM 0 HA MET A 26 -3.152 6.849 4.672 1.00 0.00 H new ATOM 0 HB2 MET A 26 -5.137 4.730 3.727 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.786 6.182 2.811 1.00 0.00 H new ATOM 0 HG2 MET A 26 -2.410 5.558 2.622 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.641 4.190 3.692 1.00 0.00 H new ATOM 0 HE1 MET A 26 -2.157 2.298 0.374 1.00 0.00 H new ATOM 0 HE2 MET A 26 -1.321 3.796 0.845 1.00 0.00 H new ATOM 0 HE3 MET A 26 -1.642 2.537 2.061 1.00 0.00 H new ATOM 391 N GLU A 27 -6.160 6.472 5.912 1.00 0.00 N ATOM 392 CA GLU A 27 -7.339 7.186 6.369 1.00 0.00 C ATOM 393 C GLU A 27 -6.933 8.434 7.155 1.00 0.00 C ATOM 394 O GLU A 27 -7.490 9.511 6.948 1.00 0.00 O ATOM 395 CB GLU A 27 -8.239 6.277 7.210 1.00 0.00 C ATOM 396 CG GLU A 27 -9.344 5.655 6.354 1.00 0.00 C ATOM 397 CD GLU A 27 -10.327 4.864 7.219 1.00 0.00 C ATOM 398 OE1 GLU A 27 -9.927 3.772 7.679 1.00 0.00 O ATOM 399 OE2 GLU A 27 -11.456 5.368 7.400 1.00 0.00 O ATOM 0 H GLU A 27 -6.145 5.480 6.147 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.910 7.501 5.496 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.641 5.489 7.667 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.684 6.851 8.023 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.877 6.439 5.816 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.902 4.998 5.605 1.00 0.00 H new ATOM 406 N GLU A 28 -5.965 8.248 8.040 1.00 0.00 N ATOM 407 CA GLU A 28 -5.510 9.334 8.891 1.00 0.00 C ATOM 408 C GLU A 28 -4.539 10.237 8.127 1.00 0.00 C ATOM 409 O GLU A 28 -4.686 11.458 8.133 1.00 0.00 O ATOM 410 CB GLU A 28 -4.867 8.796 10.171 1.00 0.00 C ATOM 411 CG GLU A 28 -4.376 9.939 11.061 1.00 0.00 C ATOM 412 CD GLU A 28 -4.049 9.436 12.469 1.00 0.00 C ATOM 413 OE1 GLU A 28 -5.003 9.326 13.268 1.00 0.00 O ATOM 414 OE2 GLU A 28 -2.851 9.174 12.713 1.00 0.00 O ATOM 0 H GLU A 28 -5.483 7.361 8.186 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.376 9.929 9.181 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.589 8.189 10.718 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.031 8.144 9.916 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.490 10.394 10.619 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.139 10.715 11.116 1.00 0.00 H new ATOM 421 N LYS A 29 -3.568 9.601 7.488 1.00 0.00 N ATOM 422 CA LYS A 29 -2.554 10.332 6.748 1.00 0.00 C ATOM 423 C LYS A 29 -3.236 11.317 5.796 1.00 0.00 C ATOM 424 O LYS A 29 -3.130 12.530 5.972 1.00 0.00 O ATOM 425 CB LYS A 29 -1.597 9.364 6.050 1.00 0.00 C ATOM 426 CG LYS A 29 -0.590 10.120 5.182 1.00 0.00 C ATOM 427 CD LYS A 29 0.779 10.189 5.863 1.00 0.00 C ATOM 428 CE LYS A 29 1.825 10.805 4.931 1.00 0.00 C ATOM 429 NZ LYS A 29 3.167 10.754 5.553 1.00 0.00 N ATOM 0 H LYS A 29 -3.462 8.587 7.468 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.936 10.919 7.427 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.067 8.770 6.795 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.164 8.668 5.432 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.495 9.626 4.215 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.956 11.129 4.990 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.706 10.781 6.775 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.094 9.188 6.157 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.837 10.268 3.982 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.559 11.839 4.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.525 11.721 5.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.104 10.278 6.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.816 10.227 4.935 1.00 0.00 H new ATOM 443 N PHE A 30 -3.919 10.759 4.808 1.00 0.00 N ATOM 444 CA PHE A 30 -4.584 11.573 3.805 1.00 0.00 C ATOM 445 C PHE A 30 -5.845 12.225 4.375 1.00 0.00 C ATOM 446 O PHE A 30 -6.494 13.024 3.702 1.00 0.00 O ATOM 447 CB PHE A 30 -4.981 10.637 2.661 1.00 0.00 C ATOM 448 CG PHE A 30 -3.797 10.113 1.846 1.00 0.00 C ATOM 449 CD1 PHE A 30 -3.225 10.900 0.895 1.00 0.00 C ATOM 450 CD2 PHE A 30 -3.317 8.861 2.072 1.00 0.00 C ATOM 451 CE1 PHE A 30 -2.126 10.414 0.139 1.00 0.00 C ATOM 452 CE2 PHE A 30 -2.217 8.375 1.316 1.00 0.00 C ATOM 453 CZ PHE A 30 -1.645 9.162 0.365 1.00 0.00 C ATOM 0 H PHE A 30 -4.026 9.753 4.680 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.917 12.367 3.469 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.529 9.789 3.072 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.663 11.164 1.994 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.607 11.894 0.715 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.772 8.236 2.826 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.672 11.039 -0.616 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.835 7.381 1.496 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.809 8.793 -0.210 1.00 0.00 H new ATOM 463 N GLY A 31 -6.155 11.859 5.611 1.00 0.00 N ATOM 464 CA GLY A 31 -7.313 12.417 6.288 1.00 0.00 C ATOM 465 C GLY A 31 -8.530 12.443 5.362 1.00 0.00 C ATOM 466 O GLY A 31 -9.186 13.474 5.221 1.00 0.00 O ATOM 0 H GLY A 31 -5.624 11.183 6.160 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.540 11.826 7.175 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.088 13.428 6.627 1.00 0.00 H new ATOM 568 N THR B 3 6.392 -2.362 4.073 1.00 0.00 N ATOM 569 CA THR B 3 5.656 -1.850 5.217 1.00 0.00 C ATOM 570 C THR B 3 4.423 -1.072 4.753 1.00 0.00 C ATOM 571 O THR B 3 4.365 -0.615 3.613 1.00 0.00 O ATOM 572 CB THR B 3 6.619 -1.014 6.062 1.00 0.00 C ATOM 573 OG1 THR B 3 7.078 -0.003 5.168 1.00 0.00 O ATOM 574 CG2 THR B 3 7.888 -1.783 6.437 1.00 0.00 C ATOM 0 HA THR B 3 5.275 -2.661 5.838 1.00 0.00 H new ATOM 0 HB THR B 3 6.113 -0.684 6.969 1.00 0.00 H new ATOM 0 HG1 THR B 3 7.432 -0.421 4.355 1.00 0.00 H new ATOM 0 HG21 THR B 3 8.537 -1.144 7.036 1.00 0.00 H new ATOM 0 HG22 THR B 3 7.620 -2.669 7.012 1.00 0.00 H new ATOM 0 HG23 THR B 3 8.412 -2.084 5.530 1.00 0.00 H new ATOM 582 N LYS B 4 3.467 -0.946 5.662 1.00 0.00 N ATOM 583 CA LYS B 4 2.226 -0.257 5.351 1.00 0.00 C ATOM 584 C LYS B 4 2.534 1.193 4.972 1.00 0.00 C ATOM 585 O LYS B 4 1.977 1.718 4.010 1.00 0.00 O ATOM 586 CB LYS B 4 1.234 -0.393 6.508 1.00 0.00 C ATOM 587 CG LYS B 4 0.366 -1.642 6.343 1.00 0.00 C ATOM 588 CD LYS B 4 1.048 -2.868 6.954 1.00 0.00 C ATOM 589 CE LYS B 4 0.551 -3.118 8.379 1.00 0.00 C ATOM 590 NZ LYS B 4 1.314 -4.219 9.009 1.00 0.00 N ATOM 0 H LYS B 4 3.527 -1.309 6.613 1.00 0.00 H new ATOM 0 HA LYS B 4 1.741 -0.716 4.490 1.00 0.00 H new ATOM 0 HB2 LYS B 4 1.776 -0.445 7.452 1.00 0.00 H new ATOM 0 HB3 LYS B 4 0.599 0.492 6.553 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -0.601 -1.483 6.821 1.00 0.00 H new ATOM 0 HG3 LYS B 4 0.173 -1.818 5.285 1.00 0.00 H new ATOM 0 HD2 LYS B 4 0.850 -3.744 6.337 1.00 0.00 H new ATOM 0 HD3 LYS B 4 2.128 -2.722 6.962 1.00 0.00 H new ATOM 0 HE2 LYS B 4 0.656 -2.209 8.972 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -0.510 -3.366 8.362 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 0.941 -4.398 9.963 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 1.220 -5.080 8.433 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 2.317 -3.953 9.074 1.00 0.00 H new ATOM 604 N ASP B 5 3.420 1.798 5.749 1.00 0.00 N ATOM 605 CA ASP B 5 3.769 3.193 5.539 1.00 0.00 C ATOM 606 C ASP B 5 4.281 3.377 4.109 1.00 0.00 C ATOM 607 O ASP B 5 3.881 4.314 3.419 1.00 0.00 O ATOM 608 CB ASP B 5 4.877 3.633 6.498 1.00 0.00 C ATOM 609 CG ASP B 5 4.402 4.029 7.897 1.00 0.00 C ATOM 610 OD1 ASP B 5 3.628 5.008 7.978 1.00 0.00 O ATOM 611 OD2 ASP B 5 4.824 3.345 8.855 1.00 0.00 O ATOM 0 H ASP B 5 3.907 1.348 6.525 1.00 0.00 H new ATOM 0 HA ASP B 5 2.877 3.794 5.717 1.00 0.00 H new ATOM 0 HB2 ASP B 5 5.599 2.822 6.592 1.00 0.00 H new ATOM 0 HB3 ASP B 5 5.404 4.479 6.057 1.00 0.00 H new ATOM 616 N GLN B 6 5.157 2.469 3.706 1.00 0.00 N ATOM 617 CA GLN B 6 5.764 2.547 2.388 1.00 0.00 C ATOM 618 C GLN B 6 4.683 2.673 1.313 1.00 0.00 C ATOM 619 O GLN B 6 4.920 3.252 0.254 1.00 0.00 O ATOM 620 CB GLN B 6 6.661 1.336 2.125 1.00 0.00 C ATOM 621 CG GLN B 6 8.136 1.697 2.306 1.00 0.00 C ATOM 622 CD GLN B 6 8.397 2.256 3.706 1.00 0.00 C ATOM 623 OE1 GLN B 6 8.007 3.362 4.044 1.00 0.00 O ATOM 624 NE2 GLN B 6 9.075 1.432 4.500 1.00 0.00 N ATOM 0 H GLN B 6 5.461 1.675 4.269 1.00 0.00 H new ATOM 0 HA GLN B 6 6.392 3.437 2.350 1.00 0.00 H new ATOM 0 HB2 GLN B 6 6.395 0.527 2.805 1.00 0.00 H new ATOM 0 HB3 GLN B 6 6.494 0.969 1.112 1.00 0.00 H new ATOM 0 HG2 GLN B 6 8.753 0.813 2.143 1.00 0.00 H new ATOM 0 HG3 GLN B 6 8.428 2.433 1.557 1.00 0.00 H new ATOM 0 HE21 GLN B 6 9.372 0.520 4.154 1.00 0.00 H new ATOM 0 HE22 GLN B 6 9.298 1.713 5.455 1.00 0.00 H new ATOM 633 N ILE B 7 3.519 2.121 1.622 1.00 0.00 N ATOM 634 CA ILE B 7 2.406 2.148 0.688 1.00 0.00 C ATOM 635 C ILE B 7 1.753 3.532 0.720 1.00 0.00 C ATOM 636 O ILE B 7 1.304 4.034 -0.310 1.00 0.00 O ATOM 637 CB ILE B 7 1.434 1.003 0.978 1.00 0.00 C ATOM 638 CG1 ILE B 7 2.184 -0.318 1.163 1.00 0.00 C ATOM 639 CG2 ILE B 7 0.361 0.906 -0.108 1.00 0.00 C ATOM 640 CD1 ILE B 7 3.223 -0.518 0.058 1.00 0.00 C ATOM 0 H ILE B 7 3.322 1.652 2.506 1.00 0.00 H new ATOM 0 HA ILE B 7 2.759 1.984 -0.330 1.00 0.00 H new ATOM 0 HB ILE B 7 0.923 1.218 1.916 1.00 0.00 H new ATOM 0 HG12 ILE B 7 2.676 -0.328 2.136 1.00 0.00 H new ATOM 0 HG13 ILE B 7 1.476 -1.147 1.155 1.00 0.00 H new ATOM 0 HG21 ILE B 7 -0.317 0.084 0.123 1.00 0.00 H new ATOM 0 HG22 ILE B 7 -0.201 1.839 -0.149 1.00 0.00 H new ATOM 0 HG23 ILE B 7 0.835 0.726 -1.073 1.00 0.00 H new ATOM 0 HD11 ILE B 7 3.742 -1.464 0.213 1.00 0.00 H new ATOM 0 HD12 ILE B 7 2.725 -0.532 -0.911 1.00 0.00 H new ATOM 0 HD13 ILE B 7 3.944 0.299 0.084 1.00 0.00 H new ATOM 652 N ILE B 8 1.720 4.108 1.912 1.00 0.00 N ATOM 653 CA ILE B 8 1.126 5.422 2.092 1.00 0.00 C ATOM 654 C ILE B 8 1.825 6.423 1.171 1.00 0.00 C ATOM 655 O ILE B 8 1.172 7.258 0.547 1.00 0.00 O ATOM 656 CB ILE B 8 1.150 5.823 3.568 1.00 0.00 C ATOM 657 CG1 ILE B 8 0.401 4.802 4.427 1.00 0.00 C ATOM 658 CG2 ILE B 8 0.608 7.241 3.760 1.00 0.00 C ATOM 659 CD1 ILE B 8 0.457 5.184 5.907 1.00 0.00 C ATOM 0 H ILE B 8 2.095 3.689 2.763 1.00 0.00 H new ATOM 0 HA ILE B 8 0.074 5.407 1.807 1.00 0.00 H new ATOM 0 HB ILE B 8 2.187 5.826 3.904 1.00 0.00 H new ATOM 0 HG12 ILE B 8 -0.638 4.741 4.103 1.00 0.00 H new ATOM 0 HG13 ILE B 8 0.837 3.813 4.286 1.00 0.00 H new ATOM 0 HG21 ILE B 8 0.636 7.501 4.818 1.00 0.00 H new ATOM 0 HG22 ILE B 8 1.222 7.944 3.197 1.00 0.00 H new ATOM 0 HG23 ILE B 8 -0.420 7.289 3.402 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -0.083 4.442 6.495 1.00 0.00 H new ATOM 0 HD12 ILE B 8 1.496 5.220 6.234 1.00 0.00 H new ATOM 0 HD13 ILE B 8 -0.002 6.162 6.048 1.00 0.00 H new ATOM 671 N GLU B 9 3.144 6.307 1.115 1.00 0.00 N ATOM 672 CA GLU B 9 3.939 7.197 0.287 1.00 0.00 C ATOM 673 C GLU B 9 3.727 6.875 -1.194 1.00 0.00 C ATOM 674 O GLU B 9 3.966 7.719 -2.056 1.00 0.00 O ATOM 675 CB GLU B 9 5.421 7.114 0.659 1.00 0.00 C ATOM 676 CG GLU B 9 5.645 7.531 2.114 1.00 0.00 C ATOM 677 CD GLU B 9 5.210 8.980 2.342 1.00 0.00 C ATOM 678 OE1 GLU B 9 5.801 9.861 1.681 1.00 0.00 O ATOM 679 OE2 GLU B 9 4.297 9.175 3.174 1.00 0.00 O ATOM 0 H GLU B 9 3.682 5.610 1.630 1.00 0.00 H new ATOM 0 HA GLU B 9 3.609 8.220 0.467 1.00 0.00 H new ATOM 0 HB2 GLU B 9 5.781 6.096 0.509 1.00 0.00 H new ATOM 0 HB3 GLU B 9 6.002 7.758 -0.001 1.00 0.00 H new ATOM 0 HG2 GLU B 9 5.084 6.871 2.776 1.00 0.00 H new ATOM 0 HG3 GLU B 9 6.699 7.419 2.370 1.00 0.00 H new ATOM 686 N ALA B 10 3.281 5.653 -1.443 1.00 0.00 N ATOM 687 CA ALA B 10 3.042 5.207 -2.805 1.00 0.00 C ATOM 688 C ALA B 10 1.742 5.828 -3.319 1.00 0.00 C ATOM 689 O ALA B 10 1.660 6.237 -4.477 1.00 0.00 O ATOM 690 CB ALA B 10 3.013 3.678 -2.844 1.00 0.00 C ATOM 0 H ALA B 10 3.079 4.958 -0.725 1.00 0.00 H new ATOM 0 HA ALA B 10 3.847 5.534 -3.463 1.00 0.00 H new ATOM 0 HB1 ALA B 10 2.834 3.343 -3.866 1.00 0.00 H new ATOM 0 HB2 ALA B 10 3.969 3.287 -2.497 1.00 0.00 H new ATOM 0 HB3 ALA B 10 2.215 3.313 -2.197 1.00 0.00 H new ATOM 696 N VAL B 11 0.757 5.880 -2.434 1.00 0.00 N ATOM 697 CA VAL B 11 -0.534 6.448 -2.783 1.00 0.00 C ATOM 698 C VAL B 11 -0.388 7.959 -2.971 1.00 0.00 C ATOM 699 O VAL B 11 -1.201 8.585 -3.649 1.00 0.00 O ATOM 700 CB VAL B 11 -1.573 6.075 -1.724 1.00 0.00 C ATOM 701 CG1 VAL B 11 -2.826 6.943 -1.855 1.00 0.00 C ATOM 702 CG2 VAL B 11 -1.926 4.588 -1.801 1.00 0.00 C ATOM 0 H VAL B 11 0.827 5.538 -1.476 1.00 0.00 H new ATOM 0 HA VAL B 11 -0.890 6.036 -3.727 1.00 0.00 H new ATOM 0 HB VAL B 11 -1.135 6.265 -0.744 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -3.548 6.657 -1.090 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -2.557 7.992 -1.726 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -3.266 6.800 -2.842 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -2.666 4.350 -1.037 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -2.335 4.362 -2.786 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -1.029 3.992 -1.635 1.00 0.00 H new ATOM 712 N ALA B 12 0.655 8.501 -2.359 1.00 0.00 N ATOM 713 CA ALA B 12 0.921 9.926 -2.455 1.00 0.00 C ATOM 714 C ALA B 12 1.833 10.190 -3.655 1.00 0.00 C ATOM 715 O ALA B 12 2.356 11.292 -3.810 1.00 0.00 O ATOM 716 CB ALA B 12 1.529 10.422 -1.141 1.00 0.00 C ATOM 0 H ALA B 12 1.326 7.979 -1.795 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.004 10.479 -2.615 1.00 0.00 H new ATOM 0 HB1 ALA B 12 1.729 11.491 -1.213 1.00 0.00 H new ATOM 0 HB2 ALA B 12 0.831 10.237 -0.325 1.00 0.00 H new ATOM 0 HB3 ALA B 12 2.461 9.891 -0.948 1.00 0.00 H new ATOM 722 N ALA B 13 1.995 9.161 -4.472 1.00 0.00 N ATOM 723 CA ALA B 13 2.847 9.263 -5.645 1.00 0.00 C ATOM 724 C ALA B 13 1.975 9.431 -6.891 1.00 0.00 C ATOM 725 O ALA B 13 2.422 9.981 -7.896 1.00 0.00 O ATOM 726 CB ALA B 13 3.750 8.031 -5.728 1.00 0.00 C ATOM 0 H ALA B 13 1.551 8.252 -4.345 1.00 0.00 H new ATOM 0 HA ALA B 13 3.493 10.138 -5.575 1.00 0.00 H new ATOM 0 HB1 ALA B 13 4.389 8.107 -6.608 1.00 0.00 H new ATOM 0 HB2 ALA B 13 4.370 7.973 -4.833 1.00 0.00 H new ATOM 0 HB3 ALA B 13 3.135 7.134 -5.803 1.00 0.00 H new ATOM 732 N MET B 14 0.746 8.948 -6.783 1.00 0.00 N ATOM 733 CA MET B 14 -0.186 9.019 -7.896 1.00 0.00 C ATOM 734 C MET B 14 -1.103 10.237 -7.767 1.00 0.00 C ATOM 735 O MET B 14 -1.109 10.907 -6.736 1.00 0.00 O ATOM 736 CB MET B 14 -1.032 7.745 -7.936 1.00 0.00 C ATOM 737 CG MET B 14 -0.152 6.508 -8.127 1.00 0.00 C ATOM 738 SD MET B 14 -0.266 5.450 -6.694 1.00 0.00 S ATOM 739 CE MET B 14 -1.488 4.282 -7.268 1.00 0.00 C ATOM 0 H MET B 14 0.374 8.506 -5.942 1.00 0.00 H new ATOM 0 HA MET B 14 0.386 9.115 -8.819 1.00 0.00 H new ATOM 0 HB2 MET B 14 -1.600 7.652 -7.010 1.00 0.00 H new ATOM 0 HB3 MET B 14 -1.755 7.810 -8.749 1.00 0.00 H new ATOM 0 HG2 MET B 14 -0.465 5.963 -9.017 1.00 0.00 H new ATOM 0 HG3 MET B 14 0.884 6.809 -8.285 1.00 0.00 H new ATOM 0 HE1 MET B 14 -1.641 3.513 -6.510 1.00 0.00 H new ATOM 0 HE2 MET B 14 -2.428 4.801 -7.453 1.00 0.00 H new ATOM 0 HE3 MET B 14 -1.142 3.817 -8.191 1.00 0.00 H new ATOM 749 N SER B 15 -1.856 10.486 -8.829 1.00 0.00 N ATOM 750 CA SER B 15 -2.745 11.634 -8.862 1.00 0.00 C ATOM 751 C SER B 15 -3.946 11.393 -7.945 1.00 0.00 C ATOM 752 O SER B 15 -4.247 10.252 -7.598 1.00 0.00 O ATOM 753 CB SER B 15 -3.217 11.924 -10.289 1.00 0.00 C ATOM 754 OG SER B 15 -3.172 10.762 -11.112 1.00 0.00 O ATOM 0 H SER B 15 -1.868 9.912 -9.672 1.00 0.00 H new ATOM 0 HA SER B 15 -2.193 12.504 -8.506 1.00 0.00 H new ATOM 0 HB2 SER B 15 -4.236 12.310 -10.262 1.00 0.00 H new ATOM 0 HB3 SER B 15 -2.592 12.703 -10.726 1.00 0.00 H new ATOM 0 HG SER B 15 -3.482 10.988 -12.014 1.00 0.00 H new ATOM 760 N VAL B 16 -4.599 12.486 -7.579 1.00 0.00 N ATOM 761 CA VAL B 16 -5.746 12.410 -6.689 1.00 0.00 C ATOM 762 C VAL B 16 -6.810 11.504 -7.312 1.00 0.00 C ATOM 763 O VAL B 16 -7.366 10.639 -6.637 1.00 0.00 O ATOM 764 CB VAL B 16 -6.264 13.817 -6.382 1.00 0.00 C ATOM 765 CG1 VAL B 16 -7.603 13.759 -5.645 1.00 0.00 C ATOM 766 CG2 VAL B 16 -5.233 14.618 -5.585 1.00 0.00 C ATOM 0 H VAL B 16 -4.356 13.429 -7.882 1.00 0.00 H new ATOM 0 HA VAL B 16 -5.461 11.968 -5.735 1.00 0.00 H new ATOM 0 HB VAL B 16 -6.426 14.330 -7.330 1.00 0.00 H new ATOM 0 HG11 VAL B 16 -7.949 14.772 -5.439 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -8.337 13.244 -6.264 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -7.478 13.220 -4.706 1.00 0.00 H new ATOM 0 HG21 VAL B 16 -5.626 15.614 -5.380 1.00 0.00 H new ATOM 0 HG22 VAL B 16 -5.025 14.109 -4.644 1.00 0.00 H new ATOM 0 HG23 VAL B 16 -4.313 14.703 -6.163 1.00 0.00 H new ATOM 776 N MET B 17 -7.060 11.733 -8.593 1.00 0.00 N ATOM 777 CA MET B 17 -8.049 10.950 -9.314 1.00 0.00 C ATOM 778 C MET B 17 -7.676 9.466 -9.318 1.00 0.00 C ATOM 779 O MET B 17 -8.521 8.609 -9.064 1.00 0.00 O ATOM 780 CB MET B 17 -8.149 11.455 -10.755 1.00 0.00 C ATOM 781 CG MET B 17 -9.221 12.540 -10.882 1.00 0.00 C ATOM 782 SD MET B 17 -10.846 11.806 -10.787 1.00 0.00 S ATOM 783 CE MET B 17 -11.850 13.282 -10.742 1.00 0.00 C ATOM 0 H MET B 17 -6.595 12.450 -9.150 1.00 0.00 H new ATOM 0 HA MET B 17 -9.010 11.063 -8.813 1.00 0.00 H new ATOM 0 HB2 MET B 17 -7.185 11.852 -11.073 1.00 0.00 H new ATOM 0 HB3 MET B 17 -8.386 10.624 -11.420 1.00 0.00 H new ATOM 0 HG2 MET B 17 -9.099 13.278 -10.089 1.00 0.00 H new ATOM 0 HG3 MET B 17 -9.106 13.068 -11.829 1.00 0.00 H new ATOM 0 HE1 MET B 17 -12.902 13.005 -10.682 1.00 0.00 H new ATOM 0 HE2 MET B 17 -11.582 13.878 -9.870 1.00 0.00 H new ATOM 0 HE3 MET B 17 -11.680 13.866 -11.647 1.00 0.00 H new ATOM 793 N ASP B 18 -6.410 9.208 -9.609 1.00 0.00 N ATOM 794 CA ASP B 18 -5.921 7.841 -9.675 1.00 0.00 C ATOM 795 C ASP B 18 -6.114 7.169 -8.315 1.00 0.00 C ATOM 796 O ASP B 18 -6.311 5.957 -8.240 1.00 0.00 O ATOM 797 CB ASP B 18 -4.429 7.805 -10.013 1.00 0.00 C ATOM 798 CG ASP B 18 -3.873 6.419 -10.342 1.00 0.00 C ATOM 799 OD1 ASP B 18 -3.884 5.570 -9.424 1.00 0.00 O ATOM 800 OD2 ASP B 18 -3.451 6.238 -11.504 1.00 0.00 O ATOM 0 H ASP B 18 -5.708 9.922 -9.802 1.00 0.00 H new ATOM 0 HA ASP B 18 -6.479 7.320 -10.453 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -4.249 8.463 -10.863 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -3.871 8.213 -9.170 1.00 0.00 H new ATOM 805 N VAL B 19 -6.051 7.985 -7.273 1.00 0.00 N ATOM 806 CA VAL B 19 -6.180 7.478 -5.917 1.00 0.00 C ATOM 807 C VAL B 19 -7.658 7.230 -5.608 1.00 0.00 C ATOM 808 O VAL B 19 -8.002 6.245 -4.956 1.00 0.00 O ATOM 809 CB VAL B 19 -5.518 8.445 -4.933 1.00 0.00 C ATOM 810 CG1 VAL B 19 -5.954 8.149 -3.496 1.00 0.00 C ATOM 811 CG2 VAL B 19 -3.994 8.401 -5.063 1.00 0.00 C ATOM 0 H VAL B 19 -5.912 8.993 -7.340 1.00 0.00 H new ATOM 0 HA VAL B 19 -5.662 6.524 -5.814 1.00 0.00 H new ATOM 0 HB VAL B 19 -5.847 9.454 -5.182 1.00 0.00 H new ATOM 0 HG11 VAL B 19 -5.469 8.850 -2.817 1.00 0.00 H new ATOM 0 HG12 VAL B 19 -7.036 8.254 -3.415 1.00 0.00 H new ATOM 0 HG13 VAL B 19 -5.668 7.131 -3.231 1.00 0.00 H new ATOM 0 HG21 VAL B 19 -3.548 9.097 -4.353 1.00 0.00 H new ATOM 0 HG22 VAL B 19 -3.640 7.392 -4.853 1.00 0.00 H new ATOM 0 HG23 VAL B 19 -3.707 8.683 -6.076 1.00 0.00 H new ATOM 821 N VAL B 20 -8.491 8.139 -6.091 1.00 0.00 N ATOM 822 CA VAL B 20 -9.927 8.014 -5.902 1.00 0.00 C ATOM 823 C VAL B 20 -10.406 6.700 -6.524 1.00 0.00 C ATOM 824 O VAL B 20 -11.103 5.921 -5.876 1.00 0.00 O ATOM 825 CB VAL B 20 -10.639 9.241 -6.474 1.00 0.00 C ATOM 826 CG1 VAL B 20 -12.145 8.997 -6.590 1.00 0.00 C ATOM 827 CG2 VAL B 20 -10.348 10.485 -5.633 1.00 0.00 C ATOM 0 H VAL B 20 -8.200 8.965 -6.613 1.00 0.00 H new ATOM 0 HA VAL B 20 -10.171 7.979 -4.840 1.00 0.00 H new ATOM 0 HB VAL B 20 -10.250 9.416 -7.477 1.00 0.00 H new ATOM 0 HG11 VAL B 20 -12.627 9.885 -6.999 1.00 0.00 H new ATOM 0 HG12 VAL B 20 -12.326 8.149 -7.250 1.00 0.00 H new ATOM 0 HG13 VAL B 20 -12.556 8.783 -5.603 1.00 0.00 H new ATOM 0 HG21 VAL B 20 -10.866 11.343 -6.061 1.00 0.00 H new ATOM 0 HG22 VAL B 20 -10.695 10.324 -4.612 1.00 0.00 H new ATOM 0 HG23 VAL B 20 -9.275 10.676 -5.625 1.00 0.00 H new ATOM 837 N GLU B 21 -10.014 6.496 -7.773 1.00 0.00 N ATOM 838 CA GLU B 21 -10.379 5.282 -8.483 1.00 0.00 C ATOM 839 C GLU B 21 -9.877 4.052 -7.725 1.00 0.00 C ATOM 840 O GLU B 21 -10.616 3.086 -7.541 1.00 0.00 O ATOM 841 CB GLU B 21 -9.840 5.301 -9.915 1.00 0.00 C ATOM 842 CG GLU B 21 -10.652 6.256 -10.793 1.00 0.00 C ATOM 843 CD GLU B 21 -9.988 6.443 -12.159 1.00 0.00 C ATOM 844 OE1 GLU B 21 -9.483 5.428 -12.688 1.00 0.00 O ATOM 845 OE2 GLU B 21 -10.000 7.595 -12.643 1.00 0.00 O ATOM 0 H GLU B 21 -9.447 7.151 -8.312 1.00 0.00 H new ATOM 0 HA GLU B 21 -11.466 5.231 -8.539 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -8.794 5.607 -9.910 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -9.876 4.296 -10.335 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -11.661 5.865 -10.925 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -10.747 7.221 -10.296 1.00 0.00 H new ATOM 852 N LEU B 22 -8.622 4.127 -7.304 1.00 0.00 N ATOM 853 CA LEU B 22 -8.009 3.027 -6.579 1.00 0.00 C ATOM 854 C LEU B 22 -8.867 2.685 -5.360 1.00 0.00 C ATOM 855 O LEU B 22 -9.473 1.616 -5.302 1.00 0.00 O ATOM 856 CB LEU B 22 -6.555 3.357 -6.235 1.00 0.00 C ATOM 857 CG LEU B 22 -5.779 2.268 -5.491 1.00 0.00 C ATOM 858 CD1 LEU B 22 -6.095 2.294 -3.994 1.00 0.00 C ATOM 859 CD2 LEU B 22 -6.037 0.892 -6.108 1.00 0.00 C ATOM 0 H LEU B 22 -8.014 4.932 -7.451 1.00 0.00 H new ATOM 0 HA LEU B 22 -7.970 2.134 -7.203 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -6.026 3.585 -7.160 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -6.542 4.263 -5.629 1.00 0.00 H new ATOM 0 HG LEU B 22 -4.714 2.474 -5.598 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -5.530 1.510 -3.489 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -5.818 3.264 -3.581 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -7.162 2.127 -3.844 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -5.474 0.136 -5.561 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -7.101 0.662 -6.053 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -5.720 0.896 -7.151 1.00 0.00 H new ATOM 871 N ILE B 23 -8.892 3.613 -4.414 1.00 0.00 N ATOM 872 CA ILE B 23 -9.646 3.412 -3.188 1.00 0.00 C ATOM 873 C ILE B 23 -11.026 2.845 -3.530 1.00 0.00 C ATOM 874 O ILE B 23 -11.454 1.851 -2.946 1.00 0.00 O ATOM 875 CB ILE B 23 -9.699 4.706 -2.374 1.00 0.00 C ATOM 876 CG1 ILE B 23 -8.321 5.053 -1.806 1.00 0.00 C ATOM 877 CG2 ILE B 23 -10.765 4.622 -1.279 1.00 0.00 C ATOM 878 CD1 ILE B 23 -7.849 3.982 -0.819 1.00 0.00 C ATOM 0 H ILE B 23 -8.402 4.506 -4.472 1.00 0.00 H new ATOM 0 HA ILE B 23 -9.149 2.681 -2.551 1.00 0.00 H new ATOM 0 HB ILE B 23 -9.986 5.518 -3.042 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -7.601 5.146 -2.619 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -8.363 6.021 -1.306 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -10.782 5.555 -0.715 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -11.741 4.455 -1.734 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -10.532 3.796 -0.607 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -6.867 4.253 -0.430 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -8.558 3.909 0.005 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -7.785 3.021 -1.329 1.00 0.00 H new ATOM 890 N SER B 24 -11.683 3.501 -4.475 1.00 0.00 N ATOM 891 CA SER B 24 -13.024 3.104 -4.868 1.00 0.00 C ATOM 892 C SER B 24 -13.030 1.636 -5.299 1.00 0.00 C ATOM 893 O SER B 24 -13.968 0.900 -4.998 1.00 0.00 O ATOM 894 CB SER B 24 -13.553 3.991 -5.997 1.00 0.00 C ATOM 895 OG SER B 24 -14.184 5.168 -5.500 1.00 0.00 O ATOM 0 H SER B 24 -11.311 4.305 -4.980 1.00 0.00 H new ATOM 0 HA SER B 24 -13.682 3.226 -4.008 1.00 0.00 H new ATOM 0 HB2 SER B 24 -12.730 4.271 -6.654 1.00 0.00 H new ATOM 0 HB3 SER B 24 -14.264 3.426 -6.600 1.00 0.00 H new ATOM 0 HG SER B 24 -14.507 5.708 -6.251 1.00 0.00 H new ATOM 901 N ALA B 25 -11.971 1.253 -5.999 1.00 0.00 N ATOM 902 CA ALA B 25 -11.851 -0.109 -6.489 1.00 0.00 C ATOM 903 C ALA B 25 -11.823 -1.073 -5.301 1.00 0.00 C ATOM 904 O ALA B 25 -12.732 -1.884 -5.135 1.00 0.00 O ATOM 905 CB ALA B 25 -10.602 -0.228 -7.366 1.00 0.00 C ATOM 0 H ALA B 25 -11.189 1.863 -6.238 1.00 0.00 H new ATOM 0 HA ALA B 25 -12.710 -0.372 -7.107 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -10.512 -1.250 -7.734 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -10.684 0.456 -8.211 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -9.719 0.025 -6.779 1.00 0.00 H new ATOM 911 N MET B 26 -10.769 -0.953 -4.507 1.00 0.00 N ATOM 912 CA MET B 26 -10.603 -1.814 -3.349 1.00 0.00 C ATOM 913 C MET B 26 -11.874 -1.840 -2.497 1.00 0.00 C ATOM 914 O MET B 26 -12.281 -2.895 -2.014 1.00 0.00 O ATOM 915 CB MET B 26 -9.432 -1.312 -2.503 1.00 0.00 C ATOM 916 CG MET B 26 -8.099 -1.547 -3.217 1.00 0.00 C ATOM 917 SD MET B 26 -6.783 -0.719 -2.341 1.00 0.00 S ATOM 918 CE MET B 26 -6.915 -1.520 -0.752 1.00 0.00 C ATOM 0 H MET B 26 -10.022 -0.272 -4.643 1.00 0.00 H new ATOM 0 HA MET B 26 -10.402 -2.827 -3.699 1.00 0.00 H new ATOM 0 HB2 MET B 26 -9.556 -0.249 -2.298 1.00 0.00 H new ATOM 0 HB3 MET B 26 -9.428 -1.824 -1.541 1.00 0.00 H new ATOM 0 HG2 MET B 26 -7.892 -2.616 -3.276 1.00 0.00 H new ATOM 0 HG3 MET B 26 -8.155 -1.177 -4.241 1.00 0.00 H new ATOM 0 HE1 MET B 26 -6.022 -1.309 -0.163 1.00 0.00 H new ATOM 0 HE2 MET B 26 -7.793 -1.144 -0.227 1.00 0.00 H new ATOM 0 HE3 MET B 26 -7.010 -2.597 -0.894 1.00 0.00 H new ATOM 928 N GLU B 27 -12.466 -0.665 -2.340 1.00 0.00 N ATOM 929 CA GLU B 27 -13.669 -0.535 -1.535 1.00 0.00 C ATOM 930 C GLU B 27 -14.696 -1.594 -1.940 1.00 0.00 C ATOM 931 O GLU B 27 -15.302 -2.235 -1.084 1.00 0.00 O ATOM 932 CB GLU B 27 -14.257 0.872 -1.652 1.00 0.00 C ATOM 933 CG GLU B 27 -13.640 1.813 -0.614 1.00 0.00 C ATOM 934 CD GLU B 27 -14.313 1.643 0.749 1.00 0.00 C ATOM 935 OE1 GLU B 27 -15.556 1.771 0.789 1.00 0.00 O ATOM 936 OE2 GLU B 27 -13.569 1.388 1.721 1.00 0.00 O ATOM 0 H GLU B 27 -12.135 0.205 -2.756 1.00 0.00 H new ATOM 0 HA GLU B 27 -13.403 -0.696 -0.490 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -14.078 1.263 -2.654 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -15.337 0.831 -1.514 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -12.573 1.611 -0.524 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -13.742 2.846 -0.948 1.00 0.00 H new ATOM 943 N GLU B 28 -14.859 -1.745 -3.246 1.00 0.00 N ATOM 944 CA GLU B 28 -15.821 -2.697 -3.775 1.00 0.00 C ATOM 945 C GLU B 28 -15.243 -4.113 -3.735 1.00 0.00 C ATOM 946 O GLU B 28 -15.915 -5.050 -3.308 1.00 0.00 O ATOM 947 CB GLU B 28 -16.244 -2.318 -5.196 1.00 0.00 C ATOM 948 CG GLU B 28 -17.548 -3.016 -5.585 1.00 0.00 C ATOM 949 CD GLU B 28 -17.600 -3.282 -7.090 1.00 0.00 C ATOM 950 OE1 GLU B 28 -16.707 -4.014 -7.569 1.00 0.00 O ATOM 951 OE2 GLU B 28 -18.532 -2.748 -7.729 1.00 0.00 O ATOM 0 H GLU B 28 -14.341 -1.224 -3.954 1.00 0.00 H new ATOM 0 HA GLU B 28 -16.711 -2.670 -3.147 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -16.371 -1.238 -5.265 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -15.457 -2.592 -5.899 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -17.637 -3.957 -5.043 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -18.397 -2.398 -5.292 1.00 0.00 H new ATOM 958 N LYS B 29 -14.001 -4.224 -4.185 1.00 0.00 N ATOM 959 CA LYS B 29 -13.342 -5.517 -4.249 1.00 0.00 C ATOM 960 C LYS B 29 -13.398 -6.182 -2.872 1.00 0.00 C ATOM 961 O LYS B 29 -14.036 -7.220 -2.706 1.00 0.00 O ATOM 962 CB LYS B 29 -11.923 -5.368 -4.802 1.00 0.00 C ATOM 963 CG LYS B 29 -11.182 -6.706 -4.779 1.00 0.00 C ATOM 964 CD LYS B 29 -11.566 -7.567 -5.984 1.00 0.00 C ATOM 965 CE LYS B 29 -10.847 -8.916 -5.946 1.00 0.00 C ATOM 966 NZ LYS B 29 -11.421 -9.780 -4.890 1.00 0.00 N ATOM 0 H LYS B 29 -13.435 -3.440 -4.508 1.00 0.00 H new ATOM 0 HA LYS B 29 -13.863 -6.176 -4.943 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -11.965 -4.989 -5.823 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -11.374 -4.634 -4.212 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -10.106 -6.530 -4.782 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -11.416 -7.239 -3.857 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -12.644 -7.726 -5.993 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -11.314 -7.042 -6.905 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -10.934 -9.409 -6.914 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -9.784 -8.763 -5.761 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -11.030 -10.740 -4.976 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -11.182 -9.391 -3.955 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -12.455 -9.817 -4.996 1.00 0.00 H new ATOM 980 N PHE B 30 -12.720 -5.557 -1.920 1.00 0.00 N ATOM 981 CA PHE B 30 -12.657 -6.094 -0.571 1.00 0.00 C ATOM 982 C PHE B 30 -13.988 -5.902 0.158 1.00 0.00 C ATOM 983 O PHE B 30 -14.167 -6.396 1.271 1.00 0.00 O ATOM 984 CB PHE B 30 -11.567 -5.316 0.169 1.00 0.00 C ATOM 985 CG PHE B 30 -10.146 -5.646 -0.291 1.00 0.00 C ATOM 986 CD1 PHE B 30 -9.585 -4.953 -1.319 1.00 0.00 C ATOM 987 CD2 PHE B 30 -9.443 -6.632 0.327 1.00 0.00 C ATOM 988 CE1 PHE B 30 -8.266 -5.259 -1.745 1.00 0.00 C ATOM 989 CE2 PHE B 30 -8.123 -6.938 -0.099 1.00 0.00 C ATOM 990 CZ PHE B 30 -7.563 -6.245 -1.127 1.00 0.00 C ATOM 0 H PHE B 30 -12.210 -4.684 -2.056 1.00 0.00 H new ATOM 0 HA PHE B 30 -12.443 -7.162 -0.605 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -11.742 -4.249 0.035 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -11.649 -5.521 1.236 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -10.143 -4.170 -1.811 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -9.888 -7.183 1.142 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -7.821 -4.708 -2.560 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -7.564 -7.720 0.393 1.00 0.00 H new ATOM 0 HZ PHE B 30 -6.560 -6.478 -1.452 1.00 0.00 H new