USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=11 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 Single : A 3 THR OG1 : rot 180:sc= 0.158 USER MOD Single : A 4 LYS NZ :NH3+ -144:sc= -0.126 (180deg=-0.831) USER MOD Single : A 6 GLN : amide:sc= -0.0891 K(o=-0.089,f=-0.96) USER MOD Single : A 14 MET CE :methyl -111:sc= 0 (180deg=-1.07) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0729 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 87:sc= 0.222 USER MOD Single : A 26 MET CE :methyl 157:sc= -3.06! (180deg=-5.7!) USER MOD Single : A 29 LYS NZ :NH3+ -161:sc= 0.0657 (180deg=0.0144) USER MOD Single : B 3 THR OG1 : rot -48:sc= 0.419 USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 GLN : amide:sc= -0.229 K(o=-0.23,f=-0.97) USER MOD Single : B 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 15 SER OG : rot 180:sc= 0.0892 USER MOD Single : B 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 24 SER OG : rot 90:sc= 0.173 USER MOD Single : B 26 MET CE :methyl 168:sc= -2.26! (180deg=-2.47!) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 31 N THR A 3 0.584 -0.169 -11.951 1.00 0.00 N ATOM 32 CA THR A 3 -0.802 0.123 -12.277 1.00 0.00 C ATOM 33 C THR A 3 -1.667 0.080 -11.016 1.00 0.00 C ATOM 34 O THR A 3 -1.269 -0.498 -10.006 1.00 0.00 O ATOM 35 CB THR A 3 -1.252 -0.864 -13.357 1.00 0.00 C ATOM 36 OG1 THR A 3 -1.364 -2.106 -12.667 1.00 0.00 O ATOM 37 CG2 THR A 3 -0.168 -1.117 -14.407 1.00 0.00 C ATOM 0 HA THR A 3 -0.911 1.133 -12.673 1.00 0.00 H new ATOM 0 HB THR A 3 -2.149 -0.483 -13.846 1.00 0.00 H new ATOM 0 HG1 THR A 3 -1.653 -2.803 -13.293 1.00 0.00 H new ATOM 0 HG21 THR A 3 -0.538 -1.824 -15.149 1.00 0.00 H new ATOM 0 HG22 THR A 3 0.090 -0.178 -14.897 1.00 0.00 H new ATOM 0 HG23 THR A 3 0.718 -1.529 -13.924 1.00 0.00 H new ATOM 45 N LYS A 4 -2.833 0.700 -11.116 1.00 0.00 N ATOM 46 CA LYS A 4 -3.775 0.706 -10.010 1.00 0.00 C ATOM 47 C LYS A 4 -4.143 -0.735 -9.651 1.00 0.00 C ATOM 48 O LYS A 4 -4.277 -1.071 -8.475 1.00 0.00 O ATOM 49 CB LYS A 4 -4.983 1.585 -10.339 1.00 0.00 C ATOM 50 CG LYS A 4 -4.810 2.992 -9.764 1.00 0.00 C ATOM 51 CD LYS A 4 -5.931 3.920 -10.239 1.00 0.00 C ATOM 52 CE LYS A 4 -5.853 4.144 -11.751 1.00 0.00 C ATOM 53 NZ LYS A 4 -6.829 3.281 -12.453 1.00 0.00 N ATOM 0 H LYS A 4 -3.147 1.202 -11.946 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.319 1.149 -9.125 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -5.111 1.643 -11.420 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -5.888 1.132 -9.935 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -4.808 2.946 -8.675 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -3.845 3.397 -10.068 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -6.898 3.489 -9.981 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -5.860 4.877 -9.722 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -6.053 5.191 -11.980 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -4.845 3.927 -12.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -6.423 2.959 -13.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -7.052 2.456 -11.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -7.699 3.820 -12.638 1.00 0.00 H new ATOM 67 N ASP A 5 -4.295 -1.548 -10.686 1.00 0.00 N ATOM 68 CA ASP A 5 -4.713 -2.927 -10.499 1.00 0.00 C ATOM 69 C ASP A 5 -3.679 -3.657 -9.639 1.00 0.00 C ATOM 70 O ASP A 5 -4.036 -4.346 -8.684 1.00 0.00 O ATOM 71 CB ASP A 5 -4.814 -3.659 -11.839 1.00 0.00 C ATOM 72 CG ASP A 5 -6.140 -3.472 -12.579 1.00 0.00 C ATOM 73 OD1 ASP A 5 -6.969 -2.687 -12.070 1.00 0.00 O ATOM 74 OD2 ASP A 5 -6.295 -4.118 -13.638 1.00 0.00 O ATOM 0 H ASP A 5 -4.136 -1.278 -11.657 1.00 0.00 H new ATOM 0 HA ASP A 5 -5.691 -2.920 -10.017 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -4.004 -3.318 -12.484 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -4.658 -4.724 -11.667 1.00 0.00 H new ATOM 79 N GLN A 6 -2.419 -3.481 -10.008 1.00 0.00 N ATOM 80 CA GLN A 6 -1.334 -4.143 -9.304 1.00 0.00 C ATOM 81 C GLN A 6 -1.474 -3.932 -7.795 1.00 0.00 C ATOM 82 O GLN A 6 -1.060 -4.780 -7.005 1.00 0.00 O ATOM 83 CB GLN A 6 0.025 -3.647 -9.802 1.00 0.00 C ATOM 84 CG GLN A 6 0.462 -4.411 -11.054 1.00 0.00 C ATOM 85 CD GLN A 6 1.304 -5.634 -10.685 1.00 0.00 C ATOM 86 OE1 GLN A 6 2.119 -5.607 -9.777 1.00 0.00 O ATOM 87 NE2 GLN A 6 1.062 -6.704 -11.436 1.00 0.00 N ATOM 0 H GLN A 6 -2.125 -2.890 -10.785 1.00 0.00 H new ATOM 0 HA GLN A 6 -1.392 -5.212 -9.509 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -0.032 -2.581 -10.023 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.771 -3.771 -9.017 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -0.417 -4.726 -11.617 1.00 0.00 H new ATOM 0 HG3 GLN A 6 1.037 -3.752 -11.704 1.00 0.00 H new ATOM 0 HE21 GLN A 6 0.366 -6.658 -12.180 1.00 0.00 H new ATOM 0 HE22 GLN A 6 1.572 -7.571 -11.268 1.00 0.00 H new ATOM 96 N ILE A 7 -2.060 -2.798 -7.440 1.00 0.00 N ATOM 97 CA ILE A 7 -2.223 -2.447 -6.039 1.00 0.00 C ATOM 98 C ILE A 7 -3.432 -3.191 -5.469 1.00 0.00 C ATOM 99 O ILE A 7 -3.428 -3.590 -4.306 1.00 0.00 O ATOM 100 CB ILE A 7 -2.301 -0.928 -5.873 1.00 0.00 C ATOM 101 CG1 ILE A 7 -0.986 -0.263 -6.285 1.00 0.00 C ATOM 102 CG2 ILE A 7 -2.712 -0.552 -4.448 1.00 0.00 C ATOM 103 CD1 ILE A 7 0.040 -0.327 -5.151 1.00 0.00 C ATOM 0 H ILE A 7 -2.428 -2.111 -8.098 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.353 -2.763 -5.463 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.075 -0.551 -6.541 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.586 -0.757 -7.170 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.169 0.777 -6.556 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.760 0.533 -4.357 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.691 -0.978 -4.227 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.979 -0.943 -3.743 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.965 0.153 -5.470 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.353 0.189 -4.275 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.239 -1.369 -4.899 1.00 0.00 H new ATOM 115 N ILE A 8 -4.439 -3.355 -6.315 1.00 0.00 N ATOM 116 CA ILE A 8 -5.655 -4.037 -5.908 1.00 0.00 C ATOM 117 C ILE A 8 -5.317 -5.472 -5.497 1.00 0.00 C ATOM 118 O ILE A 8 -5.751 -5.939 -4.445 1.00 0.00 O ATOM 119 CB ILE A 8 -6.715 -3.946 -7.008 1.00 0.00 C ATOM 120 CG1 ILE A 8 -7.025 -2.487 -7.351 1.00 0.00 C ATOM 121 CG2 ILE A 8 -7.974 -4.724 -6.622 1.00 0.00 C ATOM 122 CD1 ILE A 8 -7.630 -1.758 -6.150 1.00 0.00 C ATOM 0 H ILE A 8 -4.437 -3.027 -7.281 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.091 -3.549 -5.036 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.313 -4.410 -7.909 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.112 -1.982 -7.665 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -7.717 -2.447 -8.192 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.711 -4.643 -7.421 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.720 -5.773 -6.467 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.389 -4.312 -5.702 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.841 -0.723 -6.421 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.556 -2.251 -5.853 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.925 -1.779 -5.319 1.00 0.00 H new ATOM 134 N GLU A 9 -4.545 -6.131 -6.349 1.00 0.00 N ATOM 135 CA GLU A 9 -4.167 -7.511 -6.102 1.00 0.00 C ATOM 136 C GLU A 9 -3.231 -7.597 -4.894 1.00 0.00 C ATOM 137 O GLU A 9 -3.019 -8.677 -4.344 1.00 0.00 O ATOM 138 CB GLU A 9 -3.520 -8.133 -7.341 1.00 0.00 C ATOM 139 CG GLU A 9 -4.583 -8.659 -8.308 1.00 0.00 C ATOM 140 CD GLU A 9 -5.123 -10.014 -7.845 1.00 0.00 C ATOM 141 OE1 GLU A 9 -4.334 -10.982 -7.883 1.00 0.00 O ATOM 142 OE2 GLU A 9 -6.313 -10.050 -7.464 1.00 0.00 O ATOM 0 H GLU A 9 -4.171 -5.734 -7.211 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.070 -8.080 -5.880 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.901 -7.390 -7.844 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.861 -8.948 -7.041 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.401 -7.942 -8.379 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.156 -8.756 -9.306 1.00 0.00 H new ATOM 149 N ALA A 10 -2.697 -6.445 -4.516 1.00 0.00 N ATOM 150 CA ALA A 10 -1.775 -6.379 -3.395 1.00 0.00 C ATOM 151 C ALA A 10 -2.562 -6.485 -2.087 1.00 0.00 C ATOM 152 O ALA A 10 -2.112 -7.126 -1.138 1.00 0.00 O ATOM 153 CB ALA A 10 -0.958 -5.089 -3.481 1.00 0.00 C ATOM 0 H ALA A 10 -2.885 -5.549 -4.966 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.073 -7.212 -3.426 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.266 -5.040 -2.640 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.396 -5.076 -4.415 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.629 -4.231 -3.450 1.00 0.00 H new ATOM 159 N VAL A 11 -3.723 -5.847 -2.079 1.00 0.00 N ATOM 160 CA VAL A 11 -4.566 -5.843 -0.895 1.00 0.00 C ATOM 161 C VAL A 11 -5.269 -7.196 -0.770 1.00 0.00 C ATOM 162 O VAL A 11 -5.661 -7.598 0.325 1.00 0.00 O ATOM 163 CB VAL A 11 -5.541 -4.665 -0.951 1.00 0.00 C ATOM 164 CG1 VAL A 11 -6.691 -4.858 0.039 1.00 0.00 C ATOM 165 CG2 VAL A 11 -4.817 -3.342 -0.700 1.00 0.00 C ATOM 0 H VAL A 11 -4.100 -5.329 -2.873 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.963 -5.706 0.003 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.966 -4.629 -1.954 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.369 -4.007 -0.021 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.233 -5.772 -0.206 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.292 -4.933 1.050 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.533 -2.521 -0.745 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.351 -3.363 0.285 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.050 -3.197 -1.461 1.00 0.00 H new ATOM 175 N ALA A 12 -5.408 -7.862 -1.907 1.00 0.00 N ATOM 176 CA ALA A 12 -6.041 -9.170 -1.936 1.00 0.00 C ATOM 177 C ALA A 12 -5.001 -10.242 -1.605 1.00 0.00 C ATOM 178 O ALA A 12 -5.314 -11.432 -1.592 1.00 0.00 O ATOM 179 CB ALA A 12 -6.693 -9.392 -3.303 1.00 0.00 C ATOM 0 H ALA A 12 -5.093 -7.520 -2.815 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.829 -9.232 -1.185 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.168 -10.373 -3.325 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.444 -8.622 -3.477 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.932 -9.340 -4.082 1.00 0.00 H new ATOM 185 N ALA A 13 -3.786 -9.782 -1.345 1.00 0.00 N ATOM 186 CA ALA A 13 -2.697 -10.688 -1.022 1.00 0.00 C ATOM 187 C ALA A 13 -2.403 -10.611 0.477 1.00 0.00 C ATOM 188 O ALA A 13 -1.891 -11.564 1.063 1.00 0.00 O ATOM 189 CB ALA A 13 -1.474 -10.341 -1.874 1.00 0.00 C ATOM 0 H ALA A 13 -3.532 -8.794 -1.351 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.973 -11.717 -1.252 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.657 -11.021 -1.632 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.726 -10.439 -2.930 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.166 -9.316 -1.668 1.00 0.00 H new ATOM 195 N MET A 14 -2.740 -9.468 1.056 1.00 0.00 N ATOM 196 CA MET A 14 -2.482 -9.239 2.467 1.00 0.00 C ATOM 197 C MET A 14 -3.704 -9.603 3.314 1.00 0.00 C ATOM 198 O MET A 14 -4.787 -9.837 2.779 1.00 0.00 O ATOM 199 CB MET A 14 -2.127 -7.768 2.690 1.00 0.00 C ATOM 200 CG MET A 14 -0.872 -7.382 1.905 1.00 0.00 C ATOM 201 SD MET A 14 -0.952 -5.663 1.432 1.00 0.00 S ATOM 202 CE MET A 14 0.780 -5.337 1.151 1.00 0.00 C ATOM 0 H MET A 14 -3.190 -8.690 0.573 1.00 0.00 H new ATOM 0 HA MET A 14 -1.649 -9.873 2.772 1.00 0.00 H new ATOM 0 HB2 MET A 14 -2.961 -7.138 2.382 1.00 0.00 H new ATOM 0 HB3 MET A 14 -1.966 -7.586 3.753 1.00 0.00 H new ATOM 0 HG2 MET A 14 0.016 -7.560 2.512 1.00 0.00 H new ATOM 0 HG3 MET A 14 -0.781 -8.008 1.017 1.00 0.00 H new ATOM 0 HE1 MET A 14 1.154 -4.665 1.923 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.337 -6.274 1.185 1.00 0.00 H new ATOM 0 HE3 MET A 14 0.909 -4.873 0.173 1.00 0.00 H new ATOM 212 N SER A 15 -3.489 -9.640 4.620 1.00 0.00 N ATOM 213 CA SER A 15 -4.556 -9.984 5.545 1.00 0.00 C ATOM 214 C SER A 15 -5.419 -8.753 5.831 1.00 0.00 C ATOM 215 O SER A 15 -5.010 -7.627 5.553 1.00 0.00 O ATOM 216 CB SER A 15 -3.993 -10.552 6.849 1.00 0.00 C ATOM 217 OG SER A 15 -2.664 -10.102 7.098 1.00 0.00 O ATOM 0 H SER A 15 -2.592 -9.437 5.060 1.00 0.00 H new ATOM 0 HA SER A 15 -5.174 -10.753 5.082 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.636 -10.260 7.679 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.005 -11.641 6.805 1.00 0.00 H new ATOM 0 HG SER A 15 -2.341 -10.485 7.940 1.00 0.00 H new ATOM 223 N VAL A 16 -6.596 -9.010 6.382 1.00 0.00 N ATOM 224 CA VAL A 16 -7.515 -7.936 6.719 1.00 0.00 C ATOM 225 C VAL A 16 -6.821 -6.955 7.666 1.00 0.00 C ATOM 226 O VAL A 16 -6.924 -5.742 7.493 1.00 0.00 O ATOM 227 CB VAL A 16 -8.807 -8.515 7.299 1.00 0.00 C ATOM 228 CG1 VAL A 16 -9.680 -7.413 7.900 1.00 0.00 C ATOM 229 CG2 VAL A 16 -9.576 -9.308 6.240 1.00 0.00 C ATOM 0 H VAL A 16 -6.935 -9.946 6.604 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.797 -7.380 5.825 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.536 -9.202 8.101 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -10.592 -7.852 8.305 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.133 -6.910 8.698 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.938 -6.690 7.126 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -10.490 -9.709 6.678 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.830 -8.652 5.407 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.956 -10.129 5.879 1.00 0.00 H new ATOM 239 N MET A 17 -6.130 -7.517 8.646 1.00 0.00 N ATOM 240 CA MET A 17 -5.427 -6.707 9.627 1.00 0.00 C ATOM 241 C MET A 17 -4.452 -5.745 8.946 1.00 0.00 C ATOM 242 O MET A 17 -4.390 -4.568 9.295 1.00 0.00 O ATOM 243 CB MET A 17 -4.659 -7.619 10.586 1.00 0.00 C ATOM 244 CG MET A 17 -5.504 -7.955 11.817 1.00 0.00 C ATOM 245 SD MET A 17 -4.809 -7.176 13.265 1.00 0.00 S ATOM 246 CE MET A 17 -6.223 -7.227 14.353 1.00 0.00 C ATOM 0 H MET A 17 -6.042 -8.524 8.782 1.00 0.00 H new ATOM 0 HA MET A 17 -6.161 -6.120 10.179 1.00 0.00 H new ATOM 0 HB2 MET A 17 -4.377 -8.538 10.072 1.00 0.00 H new ATOM 0 HB3 MET A 17 -3.735 -7.131 10.897 1.00 0.00 H new ATOM 0 HG2 MET A 17 -6.529 -7.616 11.668 1.00 0.00 H new ATOM 0 HG3 MET A 17 -5.543 -9.035 11.958 1.00 0.00 H new ATOM 0 HE1 MET A 17 -5.962 -6.777 15.311 1.00 0.00 H new ATOM 0 HE2 MET A 17 -7.047 -6.673 13.904 1.00 0.00 H new ATOM 0 HE3 MET A 17 -6.525 -8.263 14.509 1.00 0.00 H new ATOM 256 N ASP A 18 -3.714 -6.283 7.985 1.00 0.00 N ATOM 257 CA ASP A 18 -2.722 -5.495 7.273 1.00 0.00 C ATOM 258 C ASP A 18 -3.420 -4.347 6.541 1.00 0.00 C ATOM 259 O ASP A 18 -2.815 -3.304 6.294 1.00 0.00 O ATOM 260 CB ASP A 18 -1.988 -6.343 6.233 1.00 0.00 C ATOM 261 CG ASP A 18 -0.787 -5.662 5.574 1.00 0.00 C ATOM 262 OD1 ASP A 18 -0.993 -4.562 5.017 1.00 0.00 O ATOM 263 OD2 ASP A 18 0.310 -6.256 5.642 1.00 0.00 O ATOM 0 H ASP A 18 -3.783 -7.255 7.683 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.004 -5.118 8.001 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.649 -7.262 6.710 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.696 -6.630 5.455 1.00 0.00 H new ATOM 268 N VAL A 19 -4.683 -4.577 6.213 1.00 0.00 N ATOM 269 CA VAL A 19 -5.460 -3.586 5.488 1.00 0.00 C ATOM 270 C VAL A 19 -6.035 -2.572 6.479 1.00 0.00 C ATOM 271 O VAL A 19 -6.250 -1.412 6.130 1.00 0.00 O ATOM 272 CB VAL A 19 -6.536 -4.277 4.648 1.00 0.00 C ATOM 273 CG1 VAL A 19 -7.443 -3.251 3.967 1.00 0.00 C ATOM 274 CG2 VAL A 19 -5.907 -5.221 3.621 1.00 0.00 C ATOM 0 H VAL A 19 -5.187 -5.435 6.436 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.826 -3.037 4.792 1.00 0.00 H new ATOM 0 HB VAL A 19 -7.153 -4.875 5.319 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.199 -3.769 3.376 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.931 -2.638 4.724 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.846 -2.614 3.314 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -6.693 -5.699 3.037 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.256 -4.654 2.956 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -5.323 -5.983 4.137 1.00 0.00 H new ATOM 284 N VAL A 20 -6.268 -3.046 7.694 1.00 0.00 N ATOM 285 CA VAL A 20 -6.792 -2.189 8.744 1.00 0.00 C ATOM 286 C VAL A 20 -5.717 -1.183 9.159 1.00 0.00 C ATOM 287 O VAL A 20 -6.005 -0.001 9.345 1.00 0.00 O ATOM 288 CB VAL A 20 -7.298 -3.039 9.911 1.00 0.00 C ATOM 289 CG1 VAL A 20 -7.538 -2.179 11.153 1.00 0.00 C ATOM 290 CG2 VAL A 20 -8.563 -3.807 9.522 1.00 0.00 C ATOM 0 H VAL A 20 -6.104 -4.013 7.975 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.647 -1.620 8.380 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.525 -3.768 10.154 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.897 -2.808 11.967 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.605 -1.699 11.449 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.283 -1.416 10.929 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.902 -4.403 10.369 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.344 -3.102 9.239 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.345 -4.464 8.680 1.00 0.00 H new ATOM 300 N GLU A 21 -4.499 -1.688 9.293 1.00 0.00 N ATOM 301 CA GLU A 21 -3.377 -0.847 9.671 1.00 0.00 C ATOM 302 C GLU A 21 -3.109 0.200 8.588 1.00 0.00 C ATOM 303 O GLU A 21 -2.980 1.387 8.884 1.00 0.00 O ATOM 304 CB GLU A 21 -2.128 -1.688 9.943 1.00 0.00 C ATOM 305 CG GLU A 21 -2.119 -2.208 11.382 1.00 0.00 C ATOM 306 CD GLU A 21 -1.296 -1.292 12.290 1.00 0.00 C ATOM 307 OE1 GLU A 21 -0.200 -0.888 11.846 1.00 0.00 O ATOM 308 OE2 GLU A 21 -1.781 -1.018 13.409 1.00 0.00 O ATOM 0 H GLU A 21 -4.265 -2.670 9.146 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.633 -0.328 10.595 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.093 -2.528 9.249 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.236 -1.088 9.764 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.141 -2.273 11.755 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.706 -3.216 11.406 1.00 0.00 H new ATOM 315 N LEU A 22 -3.032 -0.278 7.354 1.00 0.00 N ATOM 316 CA LEU A 22 -2.805 0.604 6.223 1.00 0.00 C ATOM 317 C LEU A 22 -3.881 1.692 6.206 1.00 0.00 C ATOM 318 O LEU A 22 -3.569 2.879 6.281 1.00 0.00 O ATOM 319 CB LEU A 22 -2.724 -0.201 4.924 1.00 0.00 C ATOM 320 CG LEU A 22 -2.215 0.557 3.696 1.00 0.00 C ATOM 321 CD1 LEU A 22 -0.692 0.467 3.589 1.00 0.00 C ATOM 322 CD2 LEU A 22 -2.909 0.068 2.423 1.00 0.00 C ATOM 0 H LEU A 22 -3.123 -1.265 7.114 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.843 1.108 6.320 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.074 -1.060 5.092 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.716 -0.592 4.700 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.468 1.610 3.816 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.356 1.014 2.708 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.238 0.901 4.480 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.394 -0.578 3.503 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.529 0.623 1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.709 -0.995 2.285 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.984 0.227 2.511 1.00 0.00 H new ATOM 334 N ILE A 23 -5.125 1.248 6.106 1.00 0.00 N ATOM 335 CA ILE A 23 -6.246 2.170 6.040 1.00 0.00 C ATOM 336 C ILE A 23 -6.153 3.163 7.199 1.00 0.00 C ATOM 337 O ILE A 23 -6.454 4.345 7.035 1.00 0.00 O ATOM 338 CB ILE A 23 -7.569 1.402 5.992 1.00 0.00 C ATOM 339 CG1 ILE A 23 -7.762 0.725 4.634 1.00 0.00 C ATOM 340 CG2 ILE A 23 -8.745 2.314 6.350 1.00 0.00 C ATOM 341 CD1 ILE A 23 -8.281 1.720 3.594 1.00 0.00 C ATOM 0 H ILE A 23 -5.382 0.261 6.069 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.208 2.751 5.119 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.533 0.612 6.742 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.816 0.302 4.297 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.464 -0.103 4.733 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.673 1.744 6.308 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.606 2.709 7.357 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.794 3.140 5.640 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.409 1.213 2.638 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -9.239 2.123 3.923 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.565 2.534 3.480 1.00 0.00 H new ATOM 353 N SER A 24 -5.735 2.648 8.346 1.00 0.00 N ATOM 354 CA SER A 24 -5.643 3.465 9.544 1.00 0.00 C ATOM 355 C SER A 24 -4.544 4.517 9.377 1.00 0.00 C ATOM 356 O SER A 24 -4.696 5.654 9.819 1.00 0.00 O ATOM 357 CB SER A 24 -5.369 2.603 10.779 1.00 0.00 C ATOM 358 OG SER A 24 -6.570 2.082 11.342 1.00 0.00 O ATOM 0 H SER A 24 -5.456 1.675 8.471 1.00 0.00 H new ATOM 0 HA SER A 24 -6.599 3.967 9.690 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.709 1.779 10.507 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.846 3.198 11.528 1.00 0.00 H new ATOM 0 HG SER A 24 -6.802 1.240 10.897 1.00 0.00 H new ATOM 364 N ALA A 25 -3.461 4.099 8.738 1.00 0.00 N ATOM 365 CA ALA A 25 -2.346 4.997 8.488 1.00 0.00 C ATOM 366 C ALA A 25 -2.819 6.158 7.612 1.00 0.00 C ATOM 367 O ALA A 25 -2.788 7.313 8.036 1.00 0.00 O ATOM 368 CB ALA A 25 -1.195 4.216 7.850 1.00 0.00 C ATOM 0 H ALA A 25 -3.332 3.150 8.386 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.975 5.419 9.422 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.359 4.889 7.662 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.877 3.421 8.524 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.529 3.781 6.908 1.00 0.00 H new ATOM 374 N MET A 26 -3.247 5.813 6.407 1.00 0.00 N ATOM 375 CA MET A 26 -3.711 6.815 5.462 1.00 0.00 C ATOM 376 C MET A 26 -4.727 7.755 6.113 1.00 0.00 C ATOM 377 O MET A 26 -4.698 8.962 5.881 1.00 0.00 O ATOM 378 CB MET A 26 -4.354 6.122 4.258 1.00 0.00 C ATOM 379 CG MET A 26 -3.301 5.406 3.411 1.00 0.00 C ATOM 380 SD MET A 26 -4.087 4.548 2.057 1.00 0.00 S ATOM 381 CE MET A 26 -4.816 5.931 1.195 1.00 0.00 C ATOM 0 H MET A 26 -3.282 4.853 6.063 1.00 0.00 H new ATOM 0 HA MET A 26 -2.854 7.406 5.138 1.00 0.00 H new ATOM 0 HB2 MET A 26 -5.099 5.404 4.602 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.878 6.857 3.648 1.00 0.00 H new ATOM 0 HG2 MET A 26 -2.580 6.127 3.026 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.746 4.699 4.027 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.985 5.662 0.152 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.766 6.191 1.662 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.142 6.786 1.244 1.00 0.00 H new ATOM 391 N GLU A 27 -5.600 7.165 6.916 1.00 0.00 N ATOM 392 CA GLU A 27 -6.638 7.932 7.585 1.00 0.00 C ATOM 393 C GLU A 27 -6.027 9.137 8.303 1.00 0.00 C ATOM 394 O GLU A 27 -6.469 10.269 8.110 1.00 0.00 O ATOM 395 CB GLU A 27 -7.426 7.055 8.559 1.00 0.00 C ATOM 396 CG GLU A 27 -8.691 6.502 7.898 1.00 0.00 C ATOM 397 CD GLU A 27 -9.591 5.814 8.927 1.00 0.00 C ATOM 398 OE1 GLU A 27 -9.244 4.677 9.315 1.00 0.00 O ATOM 399 OE2 GLU A 27 -10.605 6.441 9.302 1.00 0.00 O ATOM 0 H GLU A 27 -5.610 6.165 7.119 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.336 8.298 6.832 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.800 6.231 8.900 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.696 7.636 9.441 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.238 7.312 7.415 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.417 5.793 7.117 1.00 0.00 H new ATOM 406 N GLU A 28 -5.021 8.853 9.117 1.00 0.00 N ATOM 407 CA GLU A 28 -4.381 9.892 9.907 1.00 0.00 C ATOM 408 C GLU A 28 -3.460 10.737 9.025 1.00 0.00 C ATOM 409 O GLU A 28 -3.499 11.966 9.079 1.00 0.00 O ATOM 410 CB GLU A 28 -3.612 9.289 11.084 1.00 0.00 C ATOM 411 CG GLU A 28 -3.350 10.342 12.164 1.00 0.00 C ATOM 412 CD GLU A 28 -1.957 10.169 12.772 1.00 0.00 C ATOM 413 OE1 GLU A 28 -0.997 10.656 12.138 1.00 0.00 O ATOM 414 OE2 GLU A 28 -1.884 9.553 13.857 1.00 0.00 O ATOM 0 H GLU A 28 -4.633 7.919 9.247 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.156 10.541 10.316 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.180 8.461 11.508 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.665 8.879 10.733 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.442 11.339 11.734 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.105 10.261 12.946 1.00 0.00 H new ATOM 421 N LYS A 29 -2.653 10.046 8.234 1.00 0.00 N ATOM 422 CA LYS A 29 -1.706 10.718 7.360 1.00 0.00 C ATOM 423 C LYS A 29 -2.440 11.785 6.545 1.00 0.00 C ATOM 424 O LYS A 29 -2.232 12.980 6.750 1.00 0.00 O ATOM 425 CB LYS A 29 -0.953 9.700 6.502 1.00 0.00 C ATOM 426 CG LYS A 29 -0.037 10.400 5.496 1.00 0.00 C ATOM 427 CD LYS A 29 1.239 10.903 6.173 1.00 0.00 C ATOM 428 CE LYS A 29 1.707 12.221 5.552 1.00 0.00 C ATOM 429 NZ LYS A 29 0.978 13.363 6.149 1.00 0.00 N ATOM 0 H LYS A 29 -2.635 9.028 8.180 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.944 11.231 7.947 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.362 9.046 7.143 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.666 9.068 5.972 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.221 9.710 4.693 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.565 11.237 5.040 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.058 11.043 7.239 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.025 10.153 6.079 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.779 12.344 5.709 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.543 12.201 4.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.055 14.190 5.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.024 13.111 6.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.390 13.591 7.076 1.00 0.00 H new ATOM 443 N PHE A 30 -3.283 11.315 5.637 1.00 0.00 N ATOM 444 CA PHE A 30 -4.023 12.214 4.767 1.00 0.00 C ATOM 445 C PHE A 30 -5.165 12.893 5.526 1.00 0.00 C ATOM 446 O PHE A 30 -5.906 13.692 4.954 1.00 0.00 O ATOM 447 CB PHE A 30 -4.611 11.362 3.640 1.00 0.00 C ATOM 448 CG PHE A 30 -3.565 10.793 2.679 1.00 0.00 C ATOM 449 CD1 PHE A 30 -3.147 11.531 1.615 1.00 0.00 C ATOM 450 CD2 PHE A 30 -3.053 9.551 2.889 1.00 0.00 C ATOM 451 CE1 PHE A 30 -2.177 11.003 0.723 1.00 0.00 C ATOM 452 CE2 PHE A 30 -2.082 9.023 1.997 1.00 0.00 C ATOM 453 CZ PHE A 30 -1.665 9.761 0.933 1.00 0.00 C ATOM 0 H PHE A 30 -3.470 10.324 5.485 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.362 12.992 4.386 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.174 10.538 4.078 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.319 11.966 3.073 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.553 12.518 1.449 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.385 8.966 3.734 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.846 11.588 -0.122 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.675 8.037 2.163 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.927 9.360 0.254 1.00 0.00 H new ATOM 463 N GLY A 31 -5.271 12.552 6.801 1.00 0.00 N ATOM 464 CA GLY A 31 -6.305 13.126 7.646 1.00 0.00 C ATOM 465 C GLY A 31 -7.654 13.145 6.925 1.00 0.00 C ATOM 466 O GLY A 31 -8.309 14.184 6.854 1.00 0.00 O ATOM 0 H GLY A 31 -4.658 11.885 7.270 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.389 12.549 8.567 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.026 14.141 7.930 1.00 0.00 H new ATOM 568 N THR B 3 6.557 -2.681 2.409 1.00 0.00 N ATOM 569 CA THR B 3 6.044 -2.428 3.744 1.00 0.00 C ATOM 570 C THR B 3 4.774 -1.577 3.675 1.00 0.00 C ATOM 571 O THR B 3 4.528 -0.903 2.676 1.00 0.00 O ATOM 572 CB THR B 3 7.162 -1.785 4.566 1.00 0.00 C ATOM 573 OG1 THR B 3 7.669 -0.757 3.719 1.00 0.00 O ATOM 574 CG2 THR B 3 8.354 -2.723 4.768 1.00 0.00 C ATOM 0 HA THR B 3 5.750 -3.355 4.237 1.00 0.00 H new ATOM 0 HB THR B 3 6.770 -1.482 5.537 1.00 0.00 H new ATOM 0 HG1 THR B 3 7.834 -1.122 2.824 1.00 0.00 H new ATOM 0 HG21 THR B 3 9.119 -2.218 5.358 1.00 0.00 H new ATOM 0 HG22 THR B 3 8.026 -3.621 5.292 1.00 0.00 H new ATOM 0 HG23 THR B 3 8.767 -3.000 3.798 1.00 0.00 H new ATOM 582 N LYS B 4 4.002 -1.635 4.750 1.00 0.00 N ATOM 583 CA LYS B 4 2.768 -0.872 4.827 1.00 0.00 C ATOM 584 C LYS B 4 3.075 0.610 4.599 1.00 0.00 C ATOM 585 O LYS B 4 2.379 1.281 3.839 1.00 0.00 O ATOM 586 CB LYS B 4 2.045 -1.154 6.146 1.00 0.00 C ATOM 587 CG LYS B 4 1.167 -2.402 6.034 1.00 0.00 C ATOM 588 CD LYS B 4 0.448 -2.687 7.354 1.00 0.00 C ATOM 589 CE LYS B 4 1.041 -3.915 8.048 1.00 0.00 C ATOM 590 NZ LYS B 4 2.222 -3.535 8.855 1.00 0.00 N ATOM 0 H LYS B 4 4.207 -2.199 5.575 1.00 0.00 H new ATOM 0 HA LYS B 4 2.080 -1.181 4.040 1.00 0.00 H new ATOM 0 HB2 LYS B 4 2.776 -1.289 6.944 1.00 0.00 H new ATOM 0 HB3 LYS B 4 1.431 -0.296 6.419 1.00 0.00 H new ATOM 0 HG2 LYS B 4 0.434 -2.265 5.239 1.00 0.00 H new ATOM 0 HG3 LYS B 4 1.781 -3.259 5.758 1.00 0.00 H new ATOM 0 HD2 LYS B 4 0.528 -1.820 8.010 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -0.614 -2.848 7.166 1.00 0.00 H new ATOM 0 HE2 LYS B 4 0.289 -4.377 8.688 1.00 0.00 H new ATOM 0 HE3 LYS B 4 1.326 -4.659 7.304 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 2.612 -4.380 9.319 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 2.945 -3.115 8.236 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 1.940 -2.842 9.578 1.00 0.00 H new ATOM 604 N ASP B 5 4.117 1.076 5.271 1.00 0.00 N ATOM 605 CA ASP B 5 4.496 2.476 5.188 1.00 0.00 C ATOM 606 C ASP B 5 4.819 2.826 3.734 1.00 0.00 C ATOM 607 O ASP B 5 4.338 3.830 3.212 1.00 0.00 O ATOM 608 CB ASP B 5 5.741 2.760 6.031 1.00 0.00 C ATOM 609 CG ASP B 5 5.469 3.054 7.507 1.00 0.00 C ATOM 610 OD1 ASP B 5 4.317 3.435 7.807 1.00 0.00 O ATOM 611 OD2 ASP B 5 6.419 2.891 8.303 1.00 0.00 O ATOM 0 H ASP B 5 4.711 0.509 5.876 1.00 0.00 H new ATOM 0 HA ASP B 5 3.664 3.074 5.561 1.00 0.00 H new ATOM 0 HB2 ASP B 5 6.410 1.902 5.964 1.00 0.00 H new ATOM 0 HB3 ASP B 5 6.268 3.610 5.598 1.00 0.00 H new ATOM 616 N GLN B 6 5.633 1.979 3.121 1.00 0.00 N ATOM 617 CA GLN B 6 6.048 2.202 1.747 1.00 0.00 C ATOM 618 C GLN B 6 4.830 2.469 0.861 1.00 0.00 C ATOM 619 O GLN B 6 4.919 3.211 -0.117 1.00 0.00 O ATOM 620 CB GLN B 6 6.859 1.016 1.220 1.00 0.00 C ATOM 621 CG GLN B 6 8.355 1.219 1.474 1.00 0.00 C ATOM 622 CD GLN B 6 8.915 2.333 0.588 1.00 0.00 C ATOM 623 OE1 GLN B 6 8.483 2.547 -0.533 1.00 0.00 O ATOM 624 NE2 GLN B 6 9.899 3.028 1.151 1.00 0.00 N ATOM 0 H GLN B 6 6.016 1.137 3.551 1.00 0.00 H new ATOM 0 HA GLN B 6 6.692 3.081 1.721 1.00 0.00 H new ATOM 0 HB2 GLN B 6 6.525 0.098 1.705 1.00 0.00 H new ATOM 0 HB3 GLN B 6 6.681 0.895 0.151 1.00 0.00 H new ATOM 0 HG2 GLN B 6 8.519 1.466 2.523 1.00 0.00 H new ATOM 0 HG3 GLN B 6 8.890 0.290 1.278 1.00 0.00 H new ATOM 0 HE21 GLN B 6 10.213 2.796 2.094 1.00 0.00 H new ATOM 0 HE22 GLN B 6 10.340 3.793 0.640 1.00 0.00 H new ATOM 633 N ILE B 7 3.719 1.851 1.235 1.00 0.00 N ATOM 634 CA ILE B 7 2.501 1.962 0.451 1.00 0.00 C ATOM 635 C ILE B 7 1.844 3.316 0.725 1.00 0.00 C ATOM 636 O ILE B 7 1.209 3.892 -0.157 1.00 0.00 O ATOM 637 CB ILE B 7 1.582 0.768 0.717 1.00 0.00 C ATOM 638 CG1 ILE B 7 2.206 -0.530 0.199 1.00 0.00 C ATOM 639 CG2 ILE B 7 0.189 1.007 0.132 1.00 0.00 C ATOM 640 CD1 ILE B 7 1.591 -1.748 0.891 1.00 0.00 C ATOM 0 H ILE B 7 3.637 1.272 2.071 1.00 0.00 H new ATOM 0 HA ILE B 7 2.730 1.928 -0.614 1.00 0.00 H new ATOM 0 HB ILE B 7 1.464 0.661 1.795 1.00 0.00 H new ATOM 0 HG12 ILE B 7 2.056 -0.605 -0.878 1.00 0.00 H new ATOM 0 HG13 ILE B 7 3.282 -0.514 0.371 1.00 0.00 H new ATOM 0 HG21 ILE B 7 -0.444 0.143 0.335 1.00 0.00 H new ATOM 0 HG22 ILE B 7 -0.250 1.894 0.589 1.00 0.00 H new ATOM 0 HG23 ILE B 7 0.267 1.154 -0.945 1.00 0.00 H new ATOM 0 HD11 ILE B 7 2.052 -2.657 0.505 1.00 0.00 H new ATOM 0 HD12 ILE B 7 1.764 -1.682 1.965 1.00 0.00 H new ATOM 0 HD13 ILE B 7 0.519 -1.774 0.697 1.00 0.00 H new ATOM 652 N ILE B 8 2.021 3.786 1.951 1.00 0.00 N ATOM 653 CA ILE B 8 1.460 5.065 2.350 1.00 0.00 C ATOM 654 C ILE B 8 1.974 6.158 1.411 1.00 0.00 C ATOM 655 O ILE B 8 1.203 7.000 0.952 1.00 0.00 O ATOM 656 CB ILE B 8 1.748 5.339 3.828 1.00 0.00 C ATOM 657 CG1 ILE B 8 1.189 4.222 4.712 1.00 0.00 C ATOM 658 CG2 ILE B 8 1.223 6.715 4.243 1.00 0.00 C ATOM 659 CD1 ILE B 8 -0.319 4.061 4.503 1.00 0.00 C ATOM 0 H ILE B 8 2.545 3.304 2.681 1.00 0.00 H new ATOM 0 HA ILE B 8 0.374 5.050 2.258 1.00 0.00 H new ATOM 0 HB ILE B 8 2.829 5.351 3.969 1.00 0.00 H new ATOM 0 HG12 ILE B 8 1.694 3.284 4.482 1.00 0.00 H new ATOM 0 HG13 ILE B 8 1.393 4.445 5.759 1.00 0.00 H new ATOM 0 HG21 ILE B 8 1.441 6.885 5.298 1.00 0.00 H new ATOM 0 HG22 ILE B 8 1.708 7.485 3.644 1.00 0.00 H new ATOM 0 HG23 ILE B 8 0.146 6.757 4.084 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -0.692 3.261 5.143 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -0.823 4.993 4.757 1.00 0.00 H new ATOM 0 HD13 ILE B 8 -0.517 3.814 3.460 1.00 0.00 H new ATOM 671 N GLU B 9 3.272 6.109 1.153 1.00 0.00 N ATOM 672 CA GLU B 9 3.904 7.103 0.302 1.00 0.00 C ATOM 673 C GLU B 9 3.510 6.879 -1.160 1.00 0.00 C ATOM 674 O GLU B 9 3.758 7.731 -2.011 1.00 0.00 O ATOM 675 CB GLU B 9 5.425 7.081 0.469 1.00 0.00 C ATOM 676 CG GLU B 9 5.845 7.789 1.759 1.00 0.00 C ATOM 677 CD GLU B 9 7.336 8.129 1.737 1.00 0.00 C ATOM 678 OE1 GLU B 9 7.699 9.042 0.964 1.00 0.00 O ATOM 679 OE2 GLU B 9 8.080 7.468 2.493 1.00 0.00 O ATOM 0 H GLU B 9 3.904 5.396 1.518 1.00 0.00 H new ATOM 0 HA GLU B 9 3.552 8.089 0.606 1.00 0.00 H new ATOM 0 HB2 GLU B 9 5.778 6.050 0.484 1.00 0.00 H new ATOM 0 HB3 GLU B 9 5.895 7.566 -0.386 1.00 0.00 H new ATOM 0 HG2 GLU B 9 5.262 8.702 1.884 1.00 0.00 H new ATOM 0 HG3 GLU B 9 5.626 7.152 2.616 1.00 0.00 H new ATOM 686 N ALA B 10 2.902 5.727 -1.405 1.00 0.00 N ATOM 687 CA ALA B 10 2.506 5.363 -2.755 1.00 0.00 C ATOM 688 C ALA B 10 1.243 6.138 -3.138 1.00 0.00 C ATOM 689 O ALA B 10 1.131 6.634 -4.258 1.00 0.00 O ATOM 690 CB ALA B 10 2.307 3.848 -2.837 1.00 0.00 C ATOM 0 H ALA B 10 2.674 5.034 -0.692 1.00 0.00 H new ATOM 0 HA ALA B 10 3.286 5.629 -3.469 1.00 0.00 H new ATOM 0 HB1 ALA B 10 2.010 3.574 -3.849 1.00 0.00 H new ATOM 0 HB2 ALA B 10 3.240 3.344 -2.584 1.00 0.00 H new ATOM 0 HB3 ALA B 10 1.529 3.545 -2.136 1.00 0.00 H new ATOM 696 N VAL B 11 0.325 6.217 -2.187 1.00 0.00 N ATOM 697 CA VAL B 11 -0.925 6.924 -2.410 1.00 0.00 C ATOM 698 C VAL B 11 -0.652 8.428 -2.468 1.00 0.00 C ATOM 699 O VAL B 11 -1.362 9.165 -3.150 1.00 0.00 O ATOM 700 CB VAL B 11 -1.943 6.542 -1.333 1.00 0.00 C ATOM 701 CG1 VAL B 11 -3.127 7.510 -1.330 1.00 0.00 C ATOM 702 CG2 VAL B 11 -2.415 5.098 -1.513 1.00 0.00 C ATOM 0 H VAL B 11 0.421 5.803 -1.260 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.361 6.635 -3.366 1.00 0.00 H new ATOM 0 HB VAL B 11 -1.449 6.615 -0.364 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -3.835 7.216 -0.556 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -2.770 8.521 -1.131 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -3.620 7.484 -2.302 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -3.138 4.852 -0.735 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -2.883 4.987 -2.491 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -1.561 4.424 -1.441 1.00 0.00 H new ATOM 712 N ALA B 12 0.378 8.839 -1.743 1.00 0.00 N ATOM 713 CA ALA B 12 0.749 10.243 -1.698 1.00 0.00 C ATOM 714 C ALA B 12 1.627 10.572 -2.908 1.00 0.00 C ATOM 715 O ALA B 12 2.106 11.697 -3.043 1.00 0.00 O ATOM 716 CB ALA B 12 1.449 10.544 -0.371 1.00 0.00 C ATOM 0 H ALA B 12 0.967 8.224 -1.182 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.137 10.876 -1.750 1.00 0.00 H new ATOM 0 HB1 ALA B 12 1.727 11.597 -0.337 1.00 0.00 H new ATOM 0 HB2 ALA B 12 0.774 10.320 0.455 1.00 0.00 H new ATOM 0 HB3 ALA B 12 2.345 9.929 -0.284 1.00 0.00 H new ATOM 722 N ALA B 13 1.810 9.572 -3.756 1.00 0.00 N ATOM 723 CA ALA B 13 2.619 9.742 -4.951 1.00 0.00 C ATOM 724 C ALA B 13 1.702 9.910 -6.164 1.00 0.00 C ATOM 725 O ALA B 13 2.085 10.526 -7.156 1.00 0.00 O ATOM 726 CB ALA B 13 3.569 8.552 -5.098 1.00 0.00 C ATOM 0 H ALA B 13 1.412 8.640 -3.640 1.00 0.00 H new ATOM 0 HA ALA B 13 3.231 10.640 -4.875 1.00 0.00 H new ATOM 0 HB1 ALA B 13 4.176 8.679 -5.994 1.00 0.00 H new ATOM 0 HB2 ALA B 13 4.219 8.495 -4.225 1.00 0.00 H new ATOM 0 HB3 ALA B 13 2.990 7.632 -5.180 1.00 0.00 H new ATOM 732 N MET B 14 0.507 9.350 -6.044 1.00 0.00 N ATOM 733 CA MET B 14 -0.459 9.407 -7.128 1.00 0.00 C ATOM 734 C MET B 14 -1.463 10.540 -6.909 1.00 0.00 C ATOM 735 O MET B 14 -1.520 11.123 -5.827 1.00 0.00 O ATOM 736 CB MET B 14 -1.205 8.074 -7.218 1.00 0.00 C ATOM 737 CG MET B 14 -0.231 6.915 -7.441 1.00 0.00 C ATOM 738 SD MET B 14 -1.132 5.431 -7.856 1.00 0.00 S ATOM 739 CE MET B 14 0.162 4.217 -7.660 1.00 0.00 C ATOM 0 H MET B 14 0.186 8.854 -5.212 1.00 0.00 H new ATOM 0 HA MET B 14 0.077 9.597 -8.058 1.00 0.00 H new ATOM 0 HB2 MET B 14 -1.771 7.907 -6.301 1.00 0.00 H new ATOM 0 HB3 MET B 14 -1.925 8.111 -8.035 1.00 0.00 H new ATOM 0 HG2 MET B 14 0.465 7.163 -8.242 1.00 0.00 H new ATOM 0 HG3 MET B 14 0.363 6.750 -6.542 1.00 0.00 H new ATOM 0 HE1 MET B 14 -0.232 3.226 -7.883 1.00 0.00 H new ATOM 0 HE2 MET B 14 0.980 4.444 -8.343 1.00 0.00 H new ATOM 0 HE3 MET B 14 0.529 4.239 -6.634 1.00 0.00 H new ATOM 749 N SER B 15 -2.230 10.818 -7.953 1.00 0.00 N ATOM 750 CA SER B 15 -3.211 11.889 -7.897 1.00 0.00 C ATOM 751 C SER B 15 -4.415 11.451 -7.060 1.00 0.00 C ATOM 752 O SER B 15 -4.646 10.258 -6.875 1.00 0.00 O ATOM 753 CB SER B 15 -3.660 12.298 -9.300 1.00 0.00 C ATOM 754 OG SER B 15 -3.493 11.243 -10.244 1.00 0.00 O ATOM 0 H SER B 15 -2.192 10.320 -8.843 1.00 0.00 H new ATOM 0 HA SER B 15 -2.746 12.756 -7.427 1.00 0.00 H new ATOM 0 HB2 SER B 15 -4.708 12.597 -9.272 1.00 0.00 H new ATOM 0 HB3 SER B 15 -3.089 13.168 -9.624 1.00 0.00 H new ATOM 0 HG SER B 15 -3.793 11.544 -11.127 1.00 0.00 H new ATOM 760 N VAL B 16 -5.151 12.442 -6.577 1.00 0.00 N ATOM 761 CA VAL B 16 -6.324 12.175 -5.763 1.00 0.00 C ATOM 762 C VAL B 16 -7.288 11.279 -6.543 1.00 0.00 C ATOM 763 O VAL B 16 -7.812 10.305 -6.003 1.00 0.00 O ATOM 764 CB VAL B 16 -6.962 13.491 -5.315 1.00 0.00 C ATOM 765 CG1 VAL B 16 -8.263 13.239 -4.552 1.00 0.00 C ATOM 766 CG2 VAL B 16 -5.984 14.316 -4.475 1.00 0.00 C ATOM 0 H VAL B 16 -4.957 13.431 -6.734 1.00 0.00 H new ATOM 0 HA VAL B 16 -6.044 11.640 -4.856 1.00 0.00 H new ATOM 0 HB VAL B 16 -7.205 14.066 -6.208 1.00 0.00 H new ATOM 0 HG11 VAL B 16 -8.695 14.191 -4.245 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -8.967 12.712 -5.196 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -8.056 12.634 -3.670 1.00 0.00 H new ATOM 0 HG21 VAL B 16 -6.462 15.247 -4.169 1.00 0.00 H new ATOM 0 HG22 VAL B 16 -5.696 13.748 -3.590 1.00 0.00 H new ATOM 0 HG23 VAL B 16 -5.097 14.541 -5.067 1.00 0.00 H new ATOM 776 N MET B 17 -7.494 11.639 -7.802 1.00 0.00 N ATOM 777 CA MET B 17 -8.403 10.894 -8.655 1.00 0.00 C ATOM 778 C MET B 17 -7.985 9.425 -8.751 1.00 0.00 C ATOM 779 O MET B 17 -8.820 8.529 -8.639 1.00 0.00 O ATOM 780 CB MET B 17 -8.416 11.514 -10.053 1.00 0.00 C ATOM 781 CG MET B 17 -9.509 12.579 -10.171 1.00 0.00 C ATOM 782 SD MET B 17 -10.579 12.204 -11.549 1.00 0.00 S ATOM 783 CE MET B 17 -10.862 13.850 -12.179 1.00 0.00 C ATOM 0 H MET B 17 -7.046 12.438 -8.251 1.00 0.00 H new ATOM 0 HA MET B 17 -9.401 10.941 -8.219 1.00 0.00 H new ATOM 0 HB2 MET B 17 -7.444 11.960 -10.266 1.00 0.00 H new ATOM 0 HB3 MET B 17 -8.580 10.736 -10.798 1.00 0.00 H new ATOM 0 HG2 MET B 17 -10.090 12.620 -9.249 1.00 0.00 H new ATOM 0 HG3 MET B 17 -9.058 13.562 -10.307 1.00 0.00 H new ATOM 0 HE1 MET B 17 -11.517 13.799 -13.049 1.00 0.00 H new ATOM 0 HE2 MET B 17 -11.332 14.459 -11.407 1.00 0.00 H new ATOM 0 HE3 MET B 17 -9.911 14.298 -12.466 1.00 0.00 H new ATOM 793 N ASP B 18 -6.692 9.224 -8.959 1.00 0.00 N ATOM 794 CA ASP B 18 -6.155 7.881 -9.094 1.00 0.00 C ATOM 795 C ASP B 18 -6.470 7.081 -7.828 1.00 0.00 C ATOM 796 O ASP B 18 -6.592 5.858 -7.876 1.00 0.00 O ATOM 797 CB ASP B 18 -4.636 7.909 -9.270 1.00 0.00 C ATOM 798 CG ASP B 18 -3.962 6.535 -9.297 1.00 0.00 C ATOM 799 OD1 ASP B 18 -4.031 5.849 -8.255 1.00 0.00 O ATOM 800 OD2 ASP B 18 -3.394 6.203 -10.360 1.00 0.00 O ATOM 0 H ASP B 18 -6.000 9.970 -9.037 1.00 0.00 H new ATOM 0 HA ASP B 18 -6.610 7.423 -9.972 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -4.403 8.430 -10.199 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -4.202 8.494 -8.459 1.00 0.00 H new ATOM 805 N VAL B 19 -6.592 7.804 -6.725 1.00 0.00 N ATOM 806 CA VAL B 19 -6.839 7.173 -5.439 1.00 0.00 C ATOM 807 C VAL B 19 -8.329 6.848 -5.313 1.00 0.00 C ATOM 808 O VAL B 19 -8.704 5.895 -4.631 1.00 0.00 O ATOM 809 CB VAL B 19 -6.325 8.068 -4.310 1.00 0.00 C ATOM 810 CG1 VAL B 19 -6.703 7.496 -2.942 1.00 0.00 C ATOM 811 CG2 VAL B 19 -4.813 8.274 -4.419 1.00 0.00 C ATOM 0 H VAL B 19 -6.524 8.821 -6.695 1.00 0.00 H new ATOM 0 HA VAL B 19 -6.294 6.232 -5.364 1.00 0.00 H new ATOM 0 HB VAL B 19 -6.804 9.042 -4.410 1.00 0.00 H new ATOM 0 HG11 VAL B 19 -6.326 8.151 -2.157 1.00 0.00 H new ATOM 0 HG12 VAL B 19 -7.788 7.424 -2.865 1.00 0.00 H new ATOM 0 HG13 VAL B 19 -6.265 6.504 -2.829 1.00 0.00 H new ATOM 0 HG21 VAL B 19 -4.473 8.914 -3.605 1.00 0.00 H new ATOM 0 HG22 VAL B 19 -4.309 7.310 -4.357 1.00 0.00 H new ATOM 0 HG23 VAL B 19 -4.578 8.746 -5.373 1.00 0.00 H new ATOM 821 N VAL B 20 -9.137 7.657 -5.982 1.00 0.00 N ATOM 822 CA VAL B 20 -10.573 7.437 -5.993 1.00 0.00 C ATOM 823 C VAL B 20 -10.885 6.176 -6.802 1.00 0.00 C ATOM 824 O VAL B 20 -11.824 5.448 -6.484 1.00 0.00 O ATOM 825 CB VAL B 20 -11.288 8.681 -6.526 1.00 0.00 C ATOM 826 CG1 VAL B 20 -12.782 8.412 -6.722 1.00 0.00 C ATOM 827 CG2 VAL B 20 -11.064 9.880 -5.602 1.00 0.00 C ATOM 0 H VAL B 20 -8.825 8.465 -6.520 1.00 0.00 H new ATOM 0 HA VAL B 20 -10.943 7.274 -4.981 1.00 0.00 H new ATOM 0 HB VAL B 20 -10.860 8.923 -7.499 1.00 0.00 H new ATOM 0 HG11 VAL B 20 -13.267 9.311 -7.101 1.00 0.00 H new ATOM 0 HG12 VAL B 20 -12.915 7.599 -7.436 1.00 0.00 H new ATOM 0 HG13 VAL B 20 -13.230 8.133 -5.768 1.00 0.00 H new ATOM 0 HG21 VAL B 20 -11.582 10.751 -6.004 1.00 0.00 H new ATOM 0 HG22 VAL B 20 -11.453 9.652 -4.609 1.00 0.00 H new ATOM 0 HG23 VAL B 20 -9.997 10.093 -5.534 1.00 0.00 H new ATOM 837 N GLU B 21 -10.080 5.958 -7.831 1.00 0.00 N ATOM 838 CA GLU B 21 -10.248 4.788 -8.677 1.00 0.00 C ATOM 839 C GLU B 21 -9.818 3.525 -7.928 1.00 0.00 C ATOM 840 O GLU B 21 -10.536 2.527 -7.924 1.00 0.00 O ATOM 841 CB GLU B 21 -9.470 4.942 -9.985 1.00 0.00 C ATOM 842 CG GLU B 21 -10.286 5.716 -11.021 1.00 0.00 C ATOM 843 CD GLU B 21 -10.855 4.776 -12.086 1.00 0.00 C ATOM 844 OE1 GLU B 21 -11.801 4.035 -11.742 1.00 0.00 O ATOM 845 OE2 GLU B 21 -10.330 4.819 -13.220 1.00 0.00 O ATOM 0 H GLU B 21 -9.310 6.571 -8.098 1.00 0.00 H new ATOM 0 HA GLU B 21 -11.304 4.694 -8.930 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -8.531 5.462 -9.795 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -9.216 3.958 -10.379 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -11.100 6.245 -10.526 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -9.657 6.470 -11.495 1.00 0.00 H new ATOM 852 N LEU B 22 -8.648 3.611 -7.312 1.00 0.00 N ATOM 853 CA LEU B 22 -8.139 2.506 -6.517 1.00 0.00 C ATOM 854 C LEU B 22 -9.199 2.086 -5.497 1.00 0.00 C ATOM 855 O LEU B 22 -9.653 0.944 -5.503 1.00 0.00 O ATOM 856 CB LEU B 22 -6.793 2.874 -5.889 1.00 0.00 C ATOM 857 CG LEU B 22 -6.010 1.721 -5.256 1.00 0.00 C ATOM 858 CD1 LEU B 22 -5.202 0.963 -6.310 1.00 0.00 C ATOM 859 CD2 LEU B 22 -5.130 2.221 -4.109 1.00 0.00 C ATOM 0 H LEU B 22 -8.038 4.428 -7.347 1.00 0.00 H new ATOM 0 HA LEU B 22 -7.944 1.640 -7.149 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -6.169 3.332 -6.657 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -6.966 3.632 -5.125 1.00 0.00 H new ATOM 0 HG LEU B 22 -6.724 1.016 -4.830 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -4.655 0.149 -5.834 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -5.877 0.555 -7.062 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -4.497 1.644 -6.787 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -4.585 1.382 -3.677 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -4.422 2.958 -4.488 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -5.756 2.680 -3.344 1.00 0.00 H new ATOM 871 N ILE B 23 -9.561 3.034 -4.644 1.00 0.00 N ATOM 872 CA ILE B 23 -10.538 2.768 -3.602 1.00 0.00 C ATOM 873 C ILE B 23 -11.781 2.128 -4.224 1.00 0.00 C ATOM 874 O ILE B 23 -12.303 1.144 -3.704 1.00 0.00 O ATOM 875 CB ILE B 23 -10.835 4.043 -2.808 1.00 0.00 C ATOM 876 CG1 ILE B 23 -9.639 4.439 -1.940 1.00 0.00 C ATOM 877 CG2 ILE B 23 -12.115 3.890 -1.985 1.00 0.00 C ATOM 878 CD1 ILE B 23 -9.753 5.894 -1.481 1.00 0.00 C ATOM 0 H ILE B 23 -9.195 3.986 -4.654 1.00 0.00 H new ATOM 0 HA ILE B 23 -10.140 2.055 -2.880 1.00 0.00 H new ATOM 0 HB ILE B 23 -11.002 4.855 -3.515 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -9.583 3.783 -1.071 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -8.716 4.303 -2.503 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -12.303 4.809 -1.431 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -12.954 3.690 -2.651 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -12.001 3.062 -1.286 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -8.890 6.150 -0.866 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -9.785 6.549 -2.352 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -10.665 6.021 -0.898 1.00 0.00 H new ATOM 890 N SER B 24 -12.218 2.713 -5.330 1.00 0.00 N ATOM 891 CA SER B 24 -13.428 2.256 -5.990 1.00 0.00 C ATOM 892 C SER B 24 -13.280 0.788 -6.396 1.00 0.00 C ATOM 893 O SER B 24 -14.232 0.015 -6.302 1.00 0.00 O ATOM 894 CB SER B 24 -13.746 3.116 -7.215 1.00 0.00 C ATOM 895 OG SER B 24 -14.535 4.253 -6.879 1.00 0.00 O ATOM 0 H SER B 24 -11.755 3.500 -5.785 1.00 0.00 H new ATOM 0 HA SER B 24 -14.257 2.351 -5.288 1.00 0.00 H new ATOM 0 HB2 SER B 24 -12.816 3.445 -7.679 1.00 0.00 H new ATOM 0 HB3 SER B 24 -14.275 2.513 -7.954 1.00 0.00 H new ATOM 0 HG SER B 24 -13.947 5.006 -6.659 1.00 0.00 H new ATOM 901 N ALA B 25 -12.078 0.448 -6.839 1.00 0.00 N ATOM 902 CA ALA B 25 -11.799 -0.908 -7.279 1.00 0.00 C ATOM 903 C ALA B 25 -12.031 -1.875 -6.116 1.00 0.00 C ATOM 904 O ALA B 25 -12.881 -2.760 -6.200 1.00 0.00 O ATOM 905 CB ALA B 25 -10.372 -0.984 -7.825 1.00 0.00 C ATOM 0 H ALA B 25 -11.287 1.088 -6.902 1.00 0.00 H new ATOM 0 HA ALA B 25 -12.473 -1.196 -8.086 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -10.162 -2.001 -8.155 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -10.268 -0.300 -8.668 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -9.667 -0.704 -7.042 1.00 0.00 H new ATOM 911 N MET B 26 -11.259 -1.674 -5.058 1.00 0.00 N ATOM 912 CA MET B 26 -11.376 -2.511 -3.876 1.00 0.00 C ATOM 913 C MET B 26 -12.827 -2.583 -3.396 1.00 0.00 C ATOM 914 O MET B 26 -13.319 -3.658 -3.057 1.00 0.00 O ATOM 915 CB MET B 26 -10.496 -1.945 -2.760 1.00 0.00 C ATOM 916 CG MET B 26 -9.013 -2.153 -3.073 1.00 0.00 C ATOM 917 SD MET B 26 -8.028 -1.783 -1.631 1.00 0.00 S ATOM 918 CE MET B 26 -6.555 -1.150 -2.415 1.00 0.00 C ATOM 0 H MET B 26 -10.550 -0.944 -4.995 1.00 0.00 H new ATOM 0 HA MET B 26 -11.048 -3.518 -4.133 1.00 0.00 H new ATOM 0 HB2 MET B 26 -10.699 -0.881 -2.636 1.00 0.00 H new ATOM 0 HB3 MET B 26 -10.744 -2.430 -1.816 1.00 0.00 H new ATOM 0 HG2 MET B 26 -8.840 -3.182 -3.388 1.00 0.00 H new ATOM 0 HG3 MET B 26 -8.714 -1.512 -3.902 1.00 0.00 H new ATOM 0 HE1 MET B 26 -5.920 -0.675 -1.667 1.00 0.00 H new ATOM 0 HE2 MET B 26 -6.012 -1.970 -2.884 1.00 0.00 H new ATOM 0 HE3 MET B 26 -6.832 -0.418 -3.173 1.00 0.00 H new ATOM 928 N GLU B 27 -13.470 -1.425 -3.383 1.00 0.00 N ATOM 929 CA GLU B 27 -14.853 -1.343 -2.945 1.00 0.00 C ATOM 930 C GLU B 27 -15.701 -2.394 -3.664 1.00 0.00 C ATOM 931 O GLU B 27 -16.525 -3.063 -3.042 1.00 0.00 O ATOM 932 CB GLU B 27 -15.416 0.062 -3.169 1.00 0.00 C ATOM 933 CG GLU B 27 -15.241 0.929 -1.921 1.00 0.00 C ATOM 934 CD GLU B 27 -16.111 2.185 -1.998 1.00 0.00 C ATOM 935 OE1 GLU B 27 -17.253 2.055 -2.490 1.00 0.00 O ATOM 936 OE2 GLU B 27 -15.615 3.247 -1.564 1.00 0.00 O ATOM 0 H GLU B 27 -13.059 -0.536 -3.669 1.00 0.00 H new ATOM 0 HA GLU B 27 -14.887 -1.547 -1.875 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -14.911 0.529 -4.014 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -16.473 -0.003 -3.426 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -15.506 0.353 -1.034 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -14.194 1.214 -1.816 1.00 0.00 H new ATOM 943 N GLU B 28 -15.470 -2.507 -4.963 1.00 0.00 N ATOM 944 CA GLU B 28 -16.246 -3.421 -5.785 1.00 0.00 C ATOM 945 C GLU B 28 -15.745 -4.855 -5.601 1.00 0.00 C ATOM 946 O GLU B 28 -16.536 -5.766 -5.358 1.00 0.00 O ATOM 947 CB GLU B 28 -16.199 -3.009 -7.257 1.00 0.00 C ATOM 948 CG GLU B 28 -17.403 -3.566 -8.021 1.00 0.00 C ATOM 949 CD GLU B 28 -17.029 -3.895 -9.468 1.00 0.00 C ATOM 950 OE1 GLU B 28 -16.072 -4.680 -9.643 1.00 0.00 O ATOM 951 OE2 GLU B 28 -17.709 -3.353 -10.366 1.00 0.00 O ATOM 0 H GLU B 28 -14.756 -1.981 -5.467 1.00 0.00 H new ATOM 0 HA GLU B 28 -17.286 -3.375 -5.462 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -16.186 -1.922 -7.334 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -15.277 -3.371 -7.711 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -17.771 -4.463 -7.523 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -18.215 -2.839 -8.008 1.00 0.00 H new ATOM 958 N LYS B 29 -14.435 -5.011 -5.723 1.00 0.00 N ATOM 959 CA LYS B 29 -13.826 -6.326 -5.622 1.00 0.00 C ATOM 960 C LYS B 29 -14.227 -6.969 -4.293 1.00 0.00 C ATOM 961 O LYS B 29 -14.935 -7.974 -4.274 1.00 0.00 O ATOM 962 CB LYS B 29 -12.312 -6.232 -5.828 1.00 0.00 C ATOM 963 CG LYS B 29 -11.644 -7.591 -5.608 1.00 0.00 C ATOM 964 CD LYS B 29 -11.824 -8.494 -6.830 1.00 0.00 C ATOM 965 CE LYS B 29 -11.763 -9.971 -6.434 1.00 0.00 C ATOM 966 NZ LYS B 29 -11.811 -10.832 -7.636 1.00 0.00 N ATOM 0 H LYS B 29 -13.779 -4.249 -5.891 1.00 0.00 H new ATOM 0 HA LYS B 29 -14.193 -6.978 -6.415 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -12.100 -5.877 -6.837 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -11.892 -5.500 -5.138 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -10.582 -7.450 -5.409 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -12.072 -8.073 -4.729 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -12.781 -8.281 -7.306 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -11.047 -8.278 -7.564 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -10.847 -10.166 -5.876 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -12.596 -10.211 -5.774 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -11.769 -11.831 -7.349 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -12.696 -10.657 -8.153 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -11.002 -10.614 -8.252 1.00 0.00 H new ATOM 980 N PHE B 30 -13.757 -6.362 -3.213 1.00 0.00 N ATOM 981 CA PHE B 30 -14.017 -6.890 -1.885 1.00 0.00 C ATOM 982 C PHE B 30 -15.450 -6.583 -1.444 1.00 0.00 C ATOM 983 O PHE B 30 -15.855 -6.947 -0.341 1.00 0.00 O ATOM 984 CB PHE B 30 -13.043 -6.197 -0.929 1.00 0.00 C ATOM 985 CG PHE B 30 -11.571 -6.513 -1.204 1.00 0.00 C ATOM 986 CD1 PHE B 30 -11.017 -7.653 -0.711 1.00 0.00 C ATOM 987 CD2 PHE B 30 -10.818 -5.654 -1.942 1.00 0.00 C ATOM 988 CE1 PHE B 30 -9.651 -7.946 -0.966 1.00 0.00 C ATOM 989 CE2 PHE B 30 -9.452 -5.947 -2.197 1.00 0.00 C ATOM 990 CZ PHE B 30 -8.897 -7.087 -1.703 1.00 0.00 C ATOM 0 H PHE B 30 -13.198 -5.509 -3.231 1.00 0.00 H new ATOM 0 HA PHE B 30 -13.888 -7.972 -1.883 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -13.191 -5.119 -0.994 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -13.282 -6.490 0.093 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -11.616 -8.335 -0.126 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -11.259 -4.749 -2.334 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -9.211 -8.851 -0.575 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -8.854 -5.265 -2.783 1.00 0.00 H new ATOM 0 HZ PHE B 30 -7.858 -7.310 -1.896 1.00 0.00 H new