USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 748 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 8 ASN : amide:sc= -3.09! K(o=-8.3!,f=-2) USER MOD Set 1.2: B 16 GLN : amide:sc= -5.22! K(o=-8.3!,f=-2) USER MOD Set 2.1: A 20 SER OG : rot 180:sc= 0.572 USER MOD Set 2.2: A 21 THR OG1 : rot 180:sc= -0.866 USER MOD Set 3.1: A 8 ASN : amide:sc= -3.21! K(o=-7.3!,f=-2) USER MOD Set 3.2: A 16 GLN : amide:sc= -4.04! K(o=-7.3!,f=-2) USER MOD Single : A 5 LYS NZ :NH3+ 167:sc= -0.0296 (180deg=-0.239) USER MOD Single : A 9 ASN : amide:sc= -3.33! K(o=-3.3!,f=-0.33) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0268 USER MOD Single : A 24 THR OG1 : rot 140:sc= -0.287 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0292) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 ASN : amide:sc= -4.85! K(o=-4.9!,f=-0.35) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot -9:sc= 0.316 USER MOD Single : B 21 THR OG1 : rot 180:sc= 0 USER MOD Single : B 24 THR OG1 : rot -120:sc= -0.577 USER MOD Single : B 28 MET CE :methyl 146:sc= -3.07! (180deg=-5.4!) USER MOD Single : B 31 LYS NZ :NH3+ 170:sc=-0.00563 (180deg=-0.127) USER MOD Single : B 37 ASN : amide:sc= -1.3 K(o=-1.3,f=-2.4!) USER MOD Single : B 44 SER OG : rot 98:sc= 0.722 USER MOD ----------------------------------------------------------------- ATOM 12 N GLU A 2 4.156 4.020 2.054 1.00 0.00 N ATOM 13 CA GLU A 2 4.534 2.931 2.945 1.00 0.00 C ATOM 14 C GLU A 2 4.237 1.583 2.301 1.00 0.00 C ATOM 15 O GLU A 2 4.719 0.554 2.756 1.00 0.00 O ATOM 16 CB GLU A 2 3.805 3.043 4.285 1.00 0.00 C ATOM 17 CG GLU A 2 2.296 2.900 4.176 1.00 0.00 C ATOM 18 CD GLU A 2 1.605 2.973 5.524 1.00 0.00 C ATOM 19 OE1 GLU A 2 1.743 4.010 6.205 1.00 0.00 O ATOM 20 OE2 GLU A 2 0.928 1.993 5.897 1.00 0.00 O ATOM 0 HA GLU A 2 5.606 3.005 3.127 1.00 0.00 H new ATOM 0 HB2 GLU A 2 4.185 2.276 4.960 1.00 0.00 H new ATOM 0 HB3 GLU A 2 4.038 4.008 4.735 1.00 0.00 H new ATOM 0 HG2 GLU A 2 1.906 3.686 3.529 1.00 0.00 H new ATOM 0 HG3 GLU A 2 2.058 1.948 3.701 1.00 0.00 H new ATOM 27 N ALA A 3 3.443 1.604 1.236 1.00 0.00 N ATOM 28 CA ALA A 3 3.079 0.387 0.514 1.00 0.00 C ATOM 29 C ALA A 3 4.265 -0.121 -0.285 1.00 0.00 C ATOM 30 O ALA A 3 4.366 -1.300 -0.620 1.00 0.00 O ATOM 31 CB ALA A 3 1.902 0.655 -0.409 1.00 0.00 C ATOM 0 H ALA A 3 3.036 2.456 0.850 1.00 0.00 H new ATOM 0 HA ALA A 3 2.790 -0.375 1.237 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.641 -0.260 -0.941 1.00 0.00 H new ATOM 0 HB2 ALA A 3 1.047 0.989 0.179 1.00 0.00 H new ATOM 0 HB3 ALA A 3 2.172 1.428 -1.128 1.00 0.00 H new ATOM 37 N LEU A 4 5.145 0.802 -0.592 1.00 0.00 N ATOM 38 CA LEU A 4 6.340 0.529 -1.358 1.00 0.00 C ATOM 39 C LEU A 4 7.440 -0.009 -0.447 1.00 0.00 C ATOM 40 O LEU A 4 8.147 -0.958 -0.789 1.00 0.00 O ATOM 41 CB LEU A 4 6.782 1.834 -2.018 1.00 0.00 C ATOM 42 CG LEU A 4 5.847 2.395 -3.102 1.00 0.00 C ATOM 43 CD1 LEU A 4 4.376 2.140 -2.785 1.00 0.00 C ATOM 44 CD2 LEU A 4 6.090 3.884 -3.268 1.00 0.00 C ATOM 0 H LEU A 4 5.051 1.779 -0.313 1.00 0.00 H new ATOM 0 HA LEU A 4 6.140 -0.226 -2.118 1.00 0.00 H new ATOM 0 HB2 LEU A 4 6.898 2.589 -1.241 1.00 0.00 H new ATOM 0 HB3 LEU A 4 7.766 1.678 -2.461 1.00 0.00 H new ATOM 0 HG LEU A 4 6.074 1.875 -4.033 1.00 0.00 H new ATOM 0 HD11 LEU A 4 3.755 2.555 -3.579 1.00 0.00 H new ATOM 0 HD12 LEU A 4 4.201 1.067 -2.710 1.00 0.00 H new ATOM 0 HD13 LEU A 4 4.120 2.616 -1.839 1.00 0.00 H new ATOM 0 HD21 LEU A 4 5.425 4.278 -4.037 1.00 0.00 H new ATOM 0 HD22 LEU A 4 5.894 4.392 -2.324 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.126 4.053 -3.562 1.00 0.00 H new ATOM 56 N LYS A 5 7.569 0.620 0.713 1.00 0.00 N ATOM 57 CA LYS A 5 8.568 0.247 1.706 1.00 0.00 C ATOM 58 C LYS A 5 8.077 -0.902 2.588 1.00 0.00 C ATOM 59 O LYS A 5 8.882 -1.643 3.154 1.00 0.00 O ATOM 60 CB LYS A 5 8.930 1.474 2.558 1.00 0.00 C ATOM 61 CG LYS A 5 9.981 1.217 3.629 1.00 0.00 C ATOM 62 CD LYS A 5 9.379 0.568 4.866 1.00 0.00 C ATOM 63 CE LYS A 5 10.430 0.321 5.935 1.00 0.00 C ATOM 64 NZ LYS A 5 11.069 1.586 6.390 1.00 0.00 N ATOM 0 H LYS A 5 6.982 1.406 0.993 1.00 0.00 H new ATOM 0 HA LYS A 5 9.460 -0.103 1.186 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.289 2.264 1.899 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.025 1.846 3.038 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.762 0.574 3.225 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.455 2.158 3.907 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.594 1.208 5.268 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.910 -0.377 4.590 1.00 0.00 H new ATOM 0 HE2 LYS A 5 9.970 -0.180 6.787 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.194 -0.351 5.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.611 1.408 7.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.708 1.938 5.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.334 2.297 6.580 1.00 0.00 H new ATOM 78 N ILE A 6 6.756 -1.055 2.697 1.00 0.00 N ATOM 79 CA ILE A 6 6.181 -2.114 3.511 1.00 0.00 C ATOM 80 C ILE A 6 6.777 -3.437 3.086 1.00 0.00 C ATOM 81 O ILE A 6 7.321 -4.188 3.897 1.00 0.00 O ATOM 82 CB ILE A 6 4.637 -2.164 3.374 1.00 0.00 C ATOM 83 CG1 ILE A 6 4.054 -3.271 4.253 1.00 0.00 C ATOM 84 CG2 ILE A 6 4.234 -2.367 1.927 1.00 0.00 C ATOM 85 CD1 ILE A 6 4.137 -4.661 3.654 1.00 0.00 C ATOM 0 H ILE A 6 6.071 -0.459 2.232 1.00 0.00 H new ATOM 0 HA ILE A 6 6.413 -1.913 4.557 1.00 0.00 H new ATOM 0 HB ILE A 6 4.234 -1.209 3.711 1.00 0.00 H new ATOM 0 HG12 ILE A 6 4.576 -3.270 5.210 1.00 0.00 H new ATOM 0 HG13 ILE A 6 3.009 -3.040 4.460 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.147 -2.399 1.853 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.614 -1.542 1.324 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.650 -3.306 1.562 1.00 0.00 H new ATOM 0 HD11 ILE A 6 3.700 -5.382 4.345 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.590 -4.684 2.712 1.00 0.00 H new ATOM 0 HD13 ILE A 6 5.181 -4.918 3.474 1.00 0.00 H new ATOM 97 N LEU A 7 6.691 -3.691 1.798 1.00 0.00 N ATOM 98 CA LEU A 7 7.239 -4.891 1.219 1.00 0.00 C ATOM 99 C LEU A 7 8.667 -4.607 0.771 1.00 0.00 C ATOM 100 O LEU A 7 9.429 -5.516 0.445 1.00 0.00 O ATOM 101 CB LEU A 7 6.351 -5.366 0.056 1.00 0.00 C ATOM 102 CG LEU A 7 6.904 -5.160 -1.360 1.00 0.00 C ATOM 103 CD1 LEU A 7 7.843 -6.294 -1.749 1.00 0.00 C ATOM 104 CD2 LEU A 7 5.765 -5.051 -2.356 1.00 0.00 C ATOM 0 H LEU A 7 6.239 -3.070 1.126 1.00 0.00 H new ATOM 0 HA LEU A 7 7.262 -5.696 1.953 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.151 -6.429 0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.393 -4.850 0.126 1.00 0.00 H new ATOM 0 HG LEU A 7 7.474 -4.231 -1.373 1.00 0.00 H new ATOM 0 HD11 LEU A 7 8.221 -6.124 -2.757 1.00 0.00 H new ATOM 0 HD12 LEU A 7 8.678 -6.331 -1.050 1.00 0.00 H new ATOM 0 HD13 LEU A 7 7.303 -7.240 -1.719 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.170 -4.905 -3.357 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.173 -5.966 -2.334 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.132 -4.203 -2.094 1.00 0.00 H new ATOM 116 N ASN A 8 9.018 -3.316 0.772 1.00 0.00 N ATOM 117 CA ASN A 8 10.353 -2.877 0.376 1.00 0.00 C ATOM 118 C ASN A 8 10.637 -3.261 -1.075 1.00 0.00 C ATOM 119 O ASN A 8 11.767 -3.593 -1.432 1.00 0.00 O ATOM 120 CB ASN A 8 11.411 -3.489 1.304 1.00 0.00 C ATOM 121 CG ASN A 8 12.798 -2.901 1.098 1.00 0.00 C ATOM 122 OD1 ASN A 8 13.764 -3.340 1.722 1.00 0.00 O ATOM 123 ND2 ASN A 8 12.907 -1.900 0.229 1.00 0.00 N ATOM 0 H ASN A 8 8.392 -2.558 1.044 1.00 0.00 H new ATOM 0 HA ASN A 8 10.398 -1.791 0.460 1.00 0.00 H new ATOM 0 HB2 ASN A 8 11.109 -3.337 2.340 1.00 0.00 H new ATOM 0 HB3 ASN A 8 11.451 -4.566 1.139 1.00 0.00 H new ATOM 0 HD21 ASN A 8 13.815 -1.468 0.060 1.00 0.00 H new ATOM 0 HD22 ASN A 8 12.082 -1.565 -0.269 1.00 0.00 H new ATOM 130 N ASN A 9 9.598 -3.199 -1.906 1.00 0.00 N ATOM 131 CA ASN A 9 9.709 -3.524 -3.326 1.00 0.00 C ATOM 132 C ASN A 9 10.177 -4.963 -3.540 1.00 0.00 C ATOM 133 O ASN A 9 11.198 -5.387 -3.001 1.00 0.00 O ATOM 134 CB ASN A 9 10.663 -2.548 -4.019 1.00 0.00 C ATOM 135 CG ASN A 9 10.199 -1.104 -3.927 1.00 0.00 C ATOM 136 OD1 ASN A 9 10.875 -0.196 -4.410 1.00 0.00 O ATOM 137 ND2 ASN A 9 9.040 -0.882 -3.313 1.00 0.00 N ATOM 0 H ASN A 9 8.660 -2.923 -1.615 1.00 0.00 H new ATOM 0 HA ASN A 9 8.717 -3.429 -3.767 1.00 0.00 H new ATOM 0 HB2 ASN A 9 11.653 -2.636 -3.572 1.00 0.00 H new ATOM 0 HB3 ASN A 9 10.762 -2.827 -5.068 1.00 0.00 H new ATOM 0 HD21 ASN A 9 8.681 0.069 -3.229 1.00 0.00 H new ATOM 0 HD22 ASN A 9 8.510 -1.663 -2.926 1.00 0.00 H new ATOM 144 N ILE A 10 9.418 -5.706 -4.341 1.00 0.00 N ATOM 145 CA ILE A 10 9.740 -7.098 -4.645 1.00 0.00 C ATOM 146 C ILE A 10 11.151 -7.233 -5.209 1.00 0.00 C ATOM 147 O ILE A 10 11.800 -8.260 -5.029 1.00 0.00 O ATOM 148 CB ILE A 10 8.734 -7.717 -5.635 1.00 0.00 C ATOM 149 CG1 ILE A 10 8.721 -6.952 -6.967 1.00 0.00 C ATOM 150 CG2 ILE A 10 7.346 -7.753 -5.013 1.00 0.00 C ATOM 151 CD1 ILE A 10 8.124 -5.563 -6.888 1.00 0.00 C ATOM 0 H ILE A 10 8.570 -5.365 -4.794 1.00 0.00 H new ATOM 0 HA ILE A 10 9.679 -7.641 -3.702 1.00 0.00 H new ATOM 0 HB ILE A 10 9.047 -8.739 -5.850 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.744 -6.874 -7.336 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.161 -7.533 -7.700 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.642 -8.192 -5.720 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.370 -8.354 -4.104 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.030 -6.739 -4.769 1.00 0.00 H new ATOM 0 HD11 ILE A 10 8.156 -5.097 -7.873 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.089 -5.630 -6.552 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.696 -4.961 -6.183 1.00 0.00 H new ATOM 163 N ARG A 11 11.619 -6.194 -5.890 1.00 0.00 N ATOM 164 CA ARG A 11 12.958 -6.206 -6.472 1.00 0.00 C ATOM 165 C ARG A 11 14.023 -6.377 -5.388 1.00 0.00 C ATOM 166 O ARG A 11 14.910 -7.224 -5.499 1.00 0.00 O ATOM 167 CB ARG A 11 13.200 -4.914 -7.255 1.00 0.00 C ATOM 168 CG ARG A 11 12.981 -3.652 -6.434 1.00 0.00 C ATOM 169 CD ARG A 11 13.155 -2.399 -7.279 1.00 0.00 C ATOM 170 NE ARG A 11 14.493 -2.306 -7.859 1.00 0.00 N ATOM 171 CZ ARG A 11 15.605 -2.175 -7.141 1.00 0.00 C ATOM 172 NH1 ARG A 11 15.542 -2.105 -5.818 1.00 0.00 N ATOM 173 NH2 ARG A 11 16.783 -2.111 -7.746 1.00 0.00 N ATOM 0 H ARG A 11 11.094 -5.335 -6.053 1.00 0.00 H new ATOM 0 HA ARG A 11 13.029 -7.054 -7.154 1.00 0.00 H new ATOM 0 HB2 ARG A 11 14.221 -4.916 -7.636 1.00 0.00 H new ATOM 0 HB3 ARG A 11 12.537 -4.894 -8.120 1.00 0.00 H new ATOM 0 HG2 ARG A 11 11.979 -3.666 -6.004 1.00 0.00 H new ATOM 0 HG3 ARG A 11 13.685 -3.631 -5.602 1.00 0.00 H new ATOM 0 HD2 ARG A 11 12.413 -2.396 -8.078 1.00 0.00 H new ATOM 0 HD3 ARG A 11 12.965 -1.519 -6.664 1.00 0.00 H new ATOM 0 HE ARG A 11 14.579 -2.344 -8.875 1.00 0.00 H new ATOM 0 HH11 ARG A 11 14.638 -2.152 -5.347 1.00 0.00 H new ATOM 0 HH12 ARG A 11 16.397 -2.005 -5.271 1.00 0.00 H new ATOM 0 HH21 ARG A 11 16.837 -2.162 -8.763 1.00 0.00 H new ATOM 0 HH22 ARG A 11 17.635 -2.011 -7.194 1.00 0.00 H new ATOM 187 N THR A 12 13.923 -5.569 -4.339 1.00 0.00 N ATOM 188 CA THR A 12 14.870 -5.628 -3.231 1.00 0.00 C ATOM 189 C THR A 12 14.602 -6.841 -2.344 1.00 0.00 C ATOM 190 O THR A 12 15.533 -7.482 -1.852 1.00 0.00 O ATOM 191 CB THR A 12 14.806 -4.352 -2.371 1.00 0.00 C ATOM 192 OG1 THR A 12 15.111 -3.205 -3.173 1.00 0.00 O ATOM 193 CG2 THR A 12 15.781 -4.434 -1.205 1.00 0.00 C ATOM 0 H THR A 12 13.194 -4.864 -4.232 1.00 0.00 H new ATOM 0 HA THR A 12 15.865 -5.713 -3.667 1.00 0.00 H new ATOM 0 HB THR A 12 13.795 -4.260 -1.973 1.00 0.00 H new ATOM 0 HG1 THR A 12 15.067 -2.398 -2.619 1.00 0.00 H new ATOM 0 HG21 THR A 12 15.717 -3.521 -0.613 1.00 0.00 H new ATOM 0 HG22 THR A 12 15.529 -5.291 -0.580 1.00 0.00 H new ATOM 0 HG23 THR A 12 16.796 -4.549 -1.586 1.00 0.00 H new ATOM 201 N LEU A 13 13.324 -7.140 -2.137 1.00 0.00 N ATOM 202 CA LEU A 13 12.928 -8.266 -1.300 1.00 0.00 C ATOM 203 C LEU A 13 13.418 -9.586 -1.884 1.00 0.00 C ATOM 204 O LEU A 13 14.073 -10.366 -1.201 1.00 0.00 O ATOM 205 CB LEU A 13 11.406 -8.298 -1.132 1.00 0.00 C ATOM 206 CG LEU A 13 10.878 -9.351 -0.151 1.00 0.00 C ATOM 207 CD1 LEU A 13 9.409 -9.106 0.146 1.00 0.00 C ATOM 208 CD2 LEU A 13 11.074 -10.756 -0.702 1.00 0.00 C ATOM 0 H LEU A 13 12.545 -6.618 -2.538 1.00 0.00 H new ATOM 0 HA LEU A 13 13.390 -8.134 -0.322 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.073 -7.315 -0.799 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.953 -8.474 -2.108 1.00 0.00 H new ATOM 0 HG LEU A 13 11.446 -9.265 0.776 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.048 -9.861 0.844 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.287 -8.117 0.587 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.836 -9.164 -0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.691 -11.484 0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.536 -10.856 -1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 13 12.136 -10.936 -0.870 1.00 0.00 H new ATOM 220 N ARG A 14 13.083 -9.831 -3.145 1.00 0.00 N ATOM 221 CA ARG A 14 13.473 -11.056 -3.827 1.00 0.00 C ATOM 222 C ARG A 14 14.945 -11.374 -3.597 1.00 0.00 C ATOM 223 O ARG A 14 15.341 -12.538 -3.560 1.00 0.00 O ATOM 224 CB ARG A 14 13.193 -10.906 -5.318 1.00 0.00 C ATOM 225 CG ARG A 14 13.669 -12.072 -6.160 1.00 0.00 C ATOM 226 CD ARG A 14 13.391 -11.813 -7.627 1.00 0.00 C ATOM 227 NE ARG A 14 13.899 -12.881 -8.486 1.00 0.00 N ATOM 228 CZ ARG A 14 13.472 -14.141 -8.434 1.00 0.00 C ATOM 229 NH1 ARG A 14 12.523 -14.490 -7.576 1.00 0.00 N ATOM 230 NH2 ARG A 14 13.994 -15.050 -9.244 1.00 0.00 N ATOM 0 H ARG A 14 12.537 -9.189 -3.720 1.00 0.00 H new ATOM 0 HA ARG A 14 12.891 -11.883 -3.421 1.00 0.00 H new ATOM 0 HB2 ARG A 14 12.120 -10.781 -5.464 1.00 0.00 H new ATOM 0 HB3 ARG A 14 13.672 -9.995 -5.676 1.00 0.00 H new ATOM 0 HG2 ARG A 14 14.737 -12.227 -6.008 1.00 0.00 H new ATOM 0 HG3 ARG A 14 13.166 -12.986 -5.844 1.00 0.00 H new ATOM 0 HD2 ARG A 14 12.317 -11.709 -7.778 1.00 0.00 H new ATOM 0 HD3 ARG A 14 13.847 -10.867 -7.919 1.00 0.00 H new ATOM 0 HE ARG A 14 14.623 -12.647 -9.165 1.00 0.00 H new ATOM 0 HH11 ARG A 14 12.117 -13.792 -6.953 1.00 0.00 H new ATOM 0 HH12 ARG A 14 12.199 -15.456 -7.539 1.00 0.00 H new ATOM 0 HH21 ARG A 14 14.722 -14.784 -9.907 1.00 0.00 H new ATOM 0 HH22 ARG A 14 13.668 -16.016 -9.205 1.00 0.00 H new ATOM 244 N ALA A 15 15.750 -10.330 -3.456 1.00 0.00 N ATOM 245 CA ALA A 15 17.183 -10.487 -3.243 1.00 0.00 C ATOM 246 C ALA A 15 17.527 -10.733 -1.779 1.00 0.00 C ATOM 247 O ALA A 15 18.266 -11.661 -1.455 1.00 0.00 O ATOM 248 CB ALA A 15 17.916 -9.258 -3.734 1.00 0.00 C ATOM 0 H ALA A 15 15.434 -9.361 -3.485 1.00 0.00 H new ATOM 0 HA ALA A 15 17.499 -11.363 -3.809 1.00 0.00 H new ATOM 0 HB1 ALA A 15 18.986 -9.383 -3.571 1.00 0.00 H new ATOM 0 HB2 ALA A 15 17.724 -9.121 -4.798 1.00 0.00 H new ATOM 0 HB3 ALA A 15 17.566 -8.383 -3.187 1.00 0.00 H new ATOM 254 N GLN A 16 16.995 -9.891 -0.898 1.00 0.00 N ATOM 255 CA GLN A 16 17.267 -10.029 0.532 1.00 0.00 C ATOM 256 C GLN A 16 16.694 -11.337 1.046 1.00 0.00 C ATOM 257 O GLN A 16 17.238 -11.966 1.954 1.00 0.00 O ATOM 258 CB GLN A 16 16.678 -8.851 1.311 1.00 0.00 C ATOM 259 CG GLN A 16 15.170 -8.741 1.184 1.00 0.00 C ATOM 260 CD GLN A 16 14.593 -7.553 1.933 1.00 0.00 C ATOM 261 OE1 GLN A 16 14.755 -7.431 3.146 1.00 0.00 O ATOM 262 NE2 GLN A 16 13.911 -6.671 1.208 1.00 0.00 N ATOM 0 H GLN A 16 16.380 -9.115 -1.143 1.00 0.00 H new ATOM 0 HA GLN A 16 18.347 -10.032 0.680 1.00 0.00 H new ATOM 0 HB2 GLN A 16 16.940 -8.953 2.364 1.00 0.00 H new ATOM 0 HB3 GLN A 16 17.134 -7.926 0.957 1.00 0.00 H new ATOM 0 HG2 GLN A 16 14.905 -8.661 0.130 1.00 0.00 H new ATOM 0 HG3 GLN A 16 14.712 -9.656 1.559 1.00 0.00 H new ATOM 0 HE21 GLN A 16 13.802 -6.812 0.204 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.497 -5.853 1.656 1.00 0.00 H new ATOM 271 N ALA A 17 15.594 -11.737 0.435 1.00 0.00 N ATOM 272 CA ALA A 17 14.915 -12.971 0.781 1.00 0.00 C ATOM 273 C ALA A 17 15.522 -14.131 0.026 1.00 0.00 C ATOM 274 O ALA A 17 15.420 -15.278 0.454 1.00 0.00 O ATOM 275 CB ALA A 17 13.437 -12.871 0.471 1.00 0.00 C ATOM 0 H ALA A 17 15.146 -11.214 -0.317 1.00 0.00 H new ATOM 0 HA ALA A 17 15.036 -13.140 1.851 1.00 0.00 H new ATOM 0 HB1 ALA A 17 12.945 -13.807 0.738 1.00 0.00 H new ATOM 0 HB2 ALA A 17 12.999 -12.054 1.045 1.00 0.00 H new ATOM 0 HB3 ALA A 17 13.301 -12.680 -0.593 1.00 0.00 H new ATOM 281 N ARG A 18 16.143 -13.821 -1.111 1.00 0.00 N ATOM 282 CA ARG A 18 16.769 -14.843 -1.941 1.00 0.00 C ATOM 283 C ARG A 18 17.526 -15.834 -1.070 1.00 0.00 C ATOM 284 O ARG A 18 17.631 -17.017 -1.397 1.00 0.00 O ATOM 285 CB ARG A 18 17.724 -14.199 -2.948 1.00 0.00 C ATOM 286 CG ARG A 18 18.182 -15.137 -4.053 1.00 0.00 C ATOM 287 CD ARG A 18 17.030 -15.526 -4.968 1.00 0.00 C ATOM 288 NE ARG A 18 16.082 -16.430 -4.322 1.00 0.00 N ATOM 289 CZ ARG A 18 16.389 -17.660 -3.917 1.00 0.00 C ATOM 290 NH1 ARG A 18 17.613 -18.138 -4.101 1.00 0.00 N ATOM 291 NH2 ARG A 18 15.470 -18.416 -3.332 1.00 0.00 N ATOM 0 H ARG A 18 16.225 -12.872 -1.476 1.00 0.00 H new ATOM 0 HA ARG A 18 15.988 -15.373 -2.486 1.00 0.00 H new ATOM 0 HB2 ARG A 18 17.233 -13.336 -3.398 1.00 0.00 H new ATOM 0 HB3 ARG A 18 18.599 -13.826 -2.416 1.00 0.00 H new ATOM 0 HG2 ARG A 18 18.966 -14.656 -4.638 1.00 0.00 H new ATOM 0 HG3 ARG A 18 18.617 -16.034 -3.613 1.00 0.00 H new ATOM 0 HD2 ARG A 18 16.507 -14.626 -5.290 1.00 0.00 H new ATOM 0 HD3 ARG A 18 17.427 -16.002 -5.865 1.00 0.00 H new ATOM 0 HE ARG A 18 15.129 -16.099 -4.172 1.00 0.00 H new ATOM 0 HH11 ARG A 18 18.323 -17.562 -4.554 1.00 0.00 H new ATOM 0 HH12 ARG A 18 17.844 -19.081 -3.789 1.00 0.00 H new ATOM 0 HH21 ARG A 18 14.526 -18.055 -3.192 1.00 0.00 H new ATOM 0 HH22 ARG A 18 15.707 -19.359 -3.022 1.00 0.00 H new ATOM 305 N GLU A 19 18.050 -15.339 0.047 1.00 0.00 N ATOM 306 CA GLU A 19 18.795 -16.176 0.978 1.00 0.00 C ATOM 307 C GLU A 19 17.859 -16.931 1.922 1.00 0.00 C ATOM 308 O GLU A 19 18.233 -17.246 3.053 1.00 0.00 O ATOM 309 CB GLU A 19 19.774 -15.325 1.789 1.00 0.00 C ATOM 310 CG GLU A 19 20.819 -14.615 0.942 1.00 0.00 C ATOM 311 CD GLU A 19 21.757 -15.576 0.232 1.00 0.00 C ATOM 312 OE1 GLU A 19 21.619 -16.801 0.430 1.00 0.00 O ATOM 313 OE2 GLU A 19 22.632 -15.100 -0.520 1.00 0.00 O ATOM 0 H GLU A 19 17.972 -14.362 0.329 1.00 0.00 H new ATOM 0 HA GLU A 19 19.351 -16.909 0.393 1.00 0.00 H new ATOM 0 HB2 GLU A 19 19.212 -14.582 2.355 1.00 0.00 H new ATOM 0 HB3 GLU A 19 20.280 -15.962 2.515 1.00 0.00 H new ATOM 0 HG2 GLU A 19 20.317 -13.992 0.202 1.00 0.00 H new ATOM 0 HG3 GLU A 19 21.402 -13.948 1.577 1.00 0.00 H new ATOM 320 N SER A 20 16.645 -17.224 1.458 1.00 0.00 N ATOM 321 CA SER A 20 15.673 -17.946 2.276 1.00 0.00 C ATOM 322 C SER A 20 14.491 -18.424 1.428 1.00 0.00 C ATOM 323 O SER A 20 14.612 -18.568 0.210 1.00 0.00 O ATOM 324 CB SER A 20 15.182 -17.046 3.415 1.00 0.00 C ATOM 325 OG SER A 20 14.377 -17.765 4.332 1.00 0.00 O ATOM 0 H SER A 20 16.313 -16.974 0.526 1.00 0.00 H new ATOM 0 HA SER A 20 16.161 -18.824 2.699 1.00 0.00 H new ATOM 0 HB2 SER A 20 16.038 -16.618 3.937 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.612 -16.214 3.003 1.00 0.00 H new ATOM 0 HG SER A 20 14.081 -17.165 5.048 1.00 0.00 H new ATOM 331 N THR A 21 13.356 -18.670 2.076 1.00 0.00 N ATOM 332 CA THR A 21 12.157 -19.135 1.384 1.00 0.00 C ATOM 333 C THR A 21 11.199 -17.987 1.103 1.00 0.00 C ATOM 334 O THR A 21 11.487 -16.832 1.420 1.00 0.00 O ATOM 335 CB THR A 21 11.419 -20.214 2.196 1.00 0.00 C ATOM 336 OG1 THR A 21 11.164 -19.741 3.525 1.00 0.00 O ATOM 337 CG2 THR A 21 12.229 -21.500 2.256 1.00 0.00 C ATOM 0 H THR A 21 13.241 -18.555 3.083 1.00 0.00 H new ATOM 0 HA THR A 21 12.490 -19.565 0.439 1.00 0.00 H new ATOM 0 HB THR A 21 10.473 -20.425 1.698 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.693 -20.433 4.034 1.00 0.00 H new ATOM 0 HG21 THR A 21 11.685 -22.246 2.836 1.00 0.00 H new ATOM 0 HG22 THR A 21 12.393 -21.874 1.245 1.00 0.00 H new ATOM 0 HG23 THR A 21 13.190 -21.303 2.730 1.00 0.00 H new ATOM 345 N LEU A 22 10.050 -18.311 0.516 1.00 0.00 N ATOM 346 CA LEU A 22 9.048 -17.312 0.206 1.00 0.00 C ATOM 347 C LEU A 22 8.431 -16.778 1.489 1.00 0.00 C ATOM 348 O LEU A 22 7.754 -15.767 1.477 1.00 0.00 O ATOM 349 CB LEU A 22 7.963 -17.877 -0.718 1.00 0.00 C ATOM 350 CG LEU A 22 6.629 -18.210 -0.044 1.00 0.00 C ATOM 351 CD1 LEU A 22 5.558 -18.441 -1.095 1.00 0.00 C ATOM 352 CD2 LEU A 22 6.758 -19.420 0.868 1.00 0.00 C ATOM 0 H LEU A 22 9.795 -19.261 0.247 1.00 0.00 H new ATOM 0 HA LEU A 22 9.537 -16.493 -0.321 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.777 -17.156 -1.514 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.347 -18.781 -1.190 1.00 0.00 H new ATOM 0 HG LEU A 22 6.338 -17.361 0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.613 -18.677 -0.606 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.439 -17.541 -1.698 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.852 -19.271 -1.737 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.794 -19.631 1.331 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.076 -20.284 0.284 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.496 -19.214 1.643 1.00 0.00 H new ATOM 364 N GLU A 23 8.656 -17.477 2.594 1.00 0.00 N ATOM 365 CA GLU A 23 8.103 -17.068 3.883 1.00 0.00 C ATOM 366 C GLU A 23 8.188 -15.552 4.045 1.00 0.00 C ATOM 367 O GLU A 23 7.371 -14.943 4.739 1.00 0.00 O ATOM 368 CB GLU A 23 8.845 -17.757 5.028 1.00 0.00 C ATOM 369 CG GLU A 23 10.309 -17.363 5.133 1.00 0.00 C ATOM 370 CD GLU A 23 11.018 -18.053 6.282 1.00 0.00 C ATOM 371 OE1 GLU A 23 11.063 -19.301 6.287 1.00 0.00 O ATOM 372 OE2 GLU A 23 11.529 -17.345 7.176 1.00 0.00 O ATOM 0 H GLU A 23 9.216 -18.329 2.626 1.00 0.00 H new ATOM 0 HA GLU A 23 7.055 -17.367 3.914 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.346 -17.519 5.967 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.777 -18.837 4.895 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.815 -17.608 4.199 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.382 -16.283 5.262 1.00 0.00 H new ATOM 379 N THR A 24 9.166 -14.947 3.370 1.00 0.00 N ATOM 380 CA THR A 24 9.339 -13.503 3.404 1.00 0.00 C ATOM 381 C THR A 24 8.027 -12.810 3.053 1.00 0.00 C ATOM 382 O THR A 24 7.629 -11.849 3.711 1.00 0.00 O ATOM 383 CB THR A 24 10.441 -13.044 2.433 1.00 0.00 C ATOM 384 OG1 THR A 24 10.504 -11.614 2.399 1.00 0.00 O ATOM 385 CG2 THR A 24 10.184 -13.584 1.036 1.00 0.00 C ATOM 0 H THR A 24 9.849 -15.439 2.794 1.00 0.00 H new ATOM 0 HA THR A 24 9.640 -13.229 4.415 1.00 0.00 H new ATOM 0 HB THR A 24 11.395 -13.435 2.787 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.441 -11.328 2.367 1.00 0.00 H new ATOM 0 HG21 THR A 24 10.974 -13.248 0.365 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.170 -14.674 1.064 1.00 0.00 H new ATOM 0 HG23 THR A 24 9.222 -13.218 0.676 1.00 0.00 H new ATOM 393 N LEU A 25 7.340 -13.320 2.030 1.00 0.00 N ATOM 394 CA LEU A 25 6.060 -12.758 1.638 1.00 0.00 C ATOM 395 C LEU A 25 5.037 -13.002 2.736 1.00 0.00 C ATOM 396 O LEU A 25 4.321 -12.099 3.140 1.00 0.00 O ATOM 397 CB LEU A 25 5.567 -13.304 0.283 1.00 0.00 C ATOM 398 CG LEU A 25 5.734 -14.809 0.016 1.00 0.00 C ATOM 399 CD1 LEU A 25 4.853 -15.647 0.929 1.00 0.00 C ATOM 400 CD2 LEU A 25 5.410 -15.119 -1.437 1.00 0.00 C ATOM 0 H LEU A 25 7.649 -14.112 1.467 1.00 0.00 H new ATOM 0 HA LEU A 25 6.192 -11.684 1.503 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.508 -13.062 0.189 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.089 -12.763 -0.507 1.00 0.00 H new ATOM 0 HG LEU A 25 6.772 -15.067 0.225 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.001 -16.704 0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.118 -15.453 1.968 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.807 -15.385 0.766 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.531 -16.187 -1.617 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.381 -14.829 -1.650 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.085 -14.563 -2.087 1.00 0.00 H new ATOM 412 N GLU A 26 4.996 -14.213 3.257 1.00 0.00 N ATOM 413 CA GLU A 26 4.074 -14.512 4.334 1.00 0.00 C ATOM 414 C GLU A 26 4.258 -13.475 5.434 1.00 0.00 C ATOM 415 O GLU A 26 3.333 -13.162 6.180 1.00 0.00 O ATOM 416 CB GLU A 26 4.304 -15.932 4.856 1.00 0.00 C ATOM 417 CG GLU A 26 3.704 -16.194 6.228 1.00 0.00 C ATOM 418 CD GLU A 26 4.036 -17.575 6.758 1.00 0.00 C ATOM 419 OE1 GLU A 26 3.661 -18.568 6.102 1.00 0.00 O ATOM 420 OE2 GLU A 26 4.674 -17.662 7.828 1.00 0.00 O ATOM 0 H GLU A 26 5.580 -14.994 2.958 1.00 0.00 H new ATOM 0 HA GLU A 26 3.047 -14.466 3.972 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.881 -16.642 4.145 1.00 0.00 H new ATOM 0 HB3 GLU A 26 5.376 -16.123 4.898 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.069 -15.443 6.929 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.621 -16.081 6.174 1.00 0.00 H new ATOM 427 N GLU A 27 5.469 -12.924 5.499 1.00 0.00 N ATOM 428 CA GLU A 27 5.796 -11.900 6.482 1.00 0.00 C ATOM 429 C GLU A 27 5.359 -10.512 6.009 1.00 0.00 C ATOM 430 O GLU A 27 4.653 -9.803 6.719 1.00 0.00 O ATOM 431 CB GLU A 27 7.300 -11.906 6.762 1.00 0.00 C ATOM 432 CG GLU A 27 7.754 -10.784 7.682 1.00 0.00 C ATOM 433 CD GLU A 27 9.240 -10.835 7.977 1.00 0.00 C ATOM 434 OE1 GLU A 27 9.919 -11.746 7.460 1.00 0.00 O ATOM 435 OE2 GLU A 27 9.727 -9.961 8.727 1.00 0.00 O ATOM 0 H GLU A 27 6.240 -13.173 4.879 1.00 0.00 H new ATOM 0 HA GLU A 27 5.254 -12.129 7.400 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.574 -12.862 7.207 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.837 -11.829 5.817 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.511 -9.824 7.225 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.200 -10.841 8.619 1.00 0.00 H new ATOM 442 N MET A 28 5.799 -10.125 4.811 1.00 0.00 N ATOM 443 CA MET A 28 5.466 -8.813 4.255 1.00 0.00 C ATOM 444 C MET A 28 4.159 -8.839 3.463 1.00 0.00 C ATOM 445 O MET A 28 3.324 -7.949 3.604 1.00 0.00 O ATOM 446 CB MET A 28 6.606 -8.306 3.373 1.00 0.00 C ATOM 447 CG MET A 28 7.906 -8.094 4.130 1.00 0.00 C ATOM 448 SD MET A 28 9.221 -7.429 3.092 1.00 0.00 S ATOM 449 CE MET A 28 10.551 -7.288 4.283 1.00 0.00 C ATOM 0 H MET A 28 6.386 -10.701 4.208 1.00 0.00 H new ATOM 0 HA MET A 28 5.327 -8.131 5.094 1.00 0.00 H new ATOM 0 HB2 MET A 28 6.776 -9.019 2.566 1.00 0.00 H new ATOM 0 HB3 MET A 28 6.307 -7.366 2.910 1.00 0.00 H new ATOM 0 HG2 MET A 28 7.729 -7.414 4.963 1.00 0.00 H new ATOM 0 HG3 MET A 28 8.231 -9.043 4.556 1.00 0.00 H new ATOM 0 HE1 MET A 28 11.438 -6.889 3.792 1.00 0.00 H new ATOM 0 HE2 MET A 28 10.249 -6.618 5.088 1.00 0.00 H new ATOM 0 HE3 MET A 28 10.776 -8.272 4.695 1.00 0.00 H new ATOM 459 N LEU A 29 3.994 -9.864 2.638 1.00 0.00 N ATOM 460 CA LEU A 29 2.787 -10.030 1.818 1.00 0.00 C ATOM 461 C LEU A 29 1.544 -9.991 2.707 1.00 0.00 C ATOM 462 O LEU A 29 0.506 -9.454 2.328 1.00 0.00 O ATOM 463 CB LEU A 29 2.883 -11.361 1.053 1.00 0.00 C ATOM 464 CG LEU A 29 1.847 -11.607 -0.039 1.00 0.00 C ATOM 465 CD1 LEU A 29 1.768 -10.432 -0.993 1.00 0.00 C ATOM 466 CD2 LEU A 29 2.194 -12.875 -0.807 1.00 0.00 C ATOM 0 H LEU A 29 4.685 -10.604 2.514 1.00 0.00 H new ATOM 0 HA LEU A 29 2.707 -9.216 1.098 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.873 -11.421 0.601 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.813 -12.173 1.776 1.00 0.00 H new ATOM 0 HG LEU A 29 0.873 -11.725 0.437 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.021 -10.636 -1.760 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.486 -9.534 -0.442 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.739 -10.279 -1.463 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.450 -13.044 -1.585 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.178 -12.766 -1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.203 -13.724 -0.123 1.00 0.00 H new ATOM 478 N GLU A 30 1.673 -10.554 3.903 1.00 0.00 N ATOM 479 CA GLU A 30 0.577 -10.580 4.870 1.00 0.00 C ATOM 480 C GLU A 30 0.264 -9.184 5.402 1.00 0.00 C ATOM 481 O GLU A 30 -0.877 -8.883 5.746 1.00 0.00 O ATOM 482 CB GLU A 30 0.929 -11.488 6.047 1.00 0.00 C ATOM 483 CG GLU A 30 -0.176 -11.589 7.088 1.00 0.00 C ATOM 484 CD GLU A 30 0.229 -12.415 8.295 1.00 0.00 C ATOM 485 OE1 GLU A 30 1.387 -12.881 8.337 1.00 0.00 O ATOM 486 OE2 GLU A 30 -0.612 -12.591 9.202 1.00 0.00 O ATOM 0 H GLU A 30 2.530 -11.001 4.229 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.302 -10.963 4.351 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.155 -12.486 5.671 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.835 -11.115 6.525 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.454 -10.587 7.415 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.061 -12.032 6.631 1.00 0.00 H new ATOM 493 N LYS A 31 1.285 -8.341 5.489 1.00 0.00 N ATOM 494 CA LYS A 31 1.109 -6.985 6.001 1.00 0.00 C ATOM 495 C LYS A 31 0.686 -6.061 4.881 1.00 0.00 C ATOM 496 O LYS A 31 -0.127 -5.155 5.063 1.00 0.00 O ATOM 497 CB LYS A 31 2.400 -6.493 6.643 1.00 0.00 C ATOM 498 CG LYS A 31 3.079 -7.563 7.473 1.00 0.00 C ATOM 499 CD LYS A 31 2.167 -8.094 8.567 1.00 0.00 C ATOM 500 CE LYS A 31 2.718 -9.370 9.181 1.00 0.00 C ATOM 501 NZ LYS A 31 4.055 -9.158 9.801 1.00 0.00 N ATOM 0 H LYS A 31 2.240 -8.569 5.213 1.00 0.00 H new ATOM 0 HA LYS A 31 0.328 -6.991 6.761 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.083 -6.154 5.864 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.183 -5.631 7.274 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.386 -8.384 6.826 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.985 -7.155 7.921 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.049 -7.337 9.343 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.176 -8.286 8.155 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.023 -9.739 9.935 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.793 -10.139 8.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.342 -10.018 10.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.752 -8.946 9.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.006 -8.362 10.468 1.00 0.00 H new ATOM 515 N LEU A 32 1.243 -6.316 3.713 1.00 0.00 N ATOM 516 CA LEU A 32 0.935 -5.542 2.534 1.00 0.00 C ATOM 517 C LEU A 32 -0.503 -5.797 2.111 1.00 0.00 C ATOM 518 O LEU A 32 -1.114 -4.984 1.423 1.00 0.00 O ATOM 519 CB LEU A 32 1.894 -5.896 1.413 1.00 0.00 C ATOM 520 CG LEU A 32 1.686 -5.090 0.131 1.00 0.00 C ATOM 521 CD1 LEU A 32 1.656 -3.603 0.439 1.00 0.00 C ATOM 522 CD2 LEU A 32 2.773 -5.407 -0.873 1.00 0.00 C ATOM 0 H LEU A 32 1.919 -7.064 3.558 1.00 0.00 H new ATOM 0 HA LEU A 32 1.048 -4.482 2.761 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.915 -5.744 1.762 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.790 -6.956 1.183 1.00 0.00 H new ATOM 0 HG LEU A 32 0.726 -5.369 -0.304 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.507 -3.043 -0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.839 -3.391 1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.601 -3.307 0.895 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.611 -4.825 -1.780 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.745 -5.155 -0.449 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.747 -6.470 -1.114 1.00 0.00 H new ATOM 534 N GLU A 33 -1.048 -6.932 2.538 1.00 0.00 N ATOM 535 CA GLU A 33 -2.428 -7.266 2.214 1.00 0.00 C ATOM 536 C GLU A 33 -3.365 -6.644 3.241 1.00 0.00 C ATOM 537 O GLU A 33 -4.362 -6.022 2.885 1.00 0.00 O ATOM 538 CB GLU A 33 -2.640 -8.779 2.141 1.00 0.00 C ATOM 539 CG GLU A 33 -2.454 -9.494 3.469 1.00 0.00 C ATOM 540 CD GLU A 33 -2.944 -10.928 3.444 1.00 0.00 C ATOM 541 OE1 GLU A 33 -4.137 -11.140 3.141 1.00 0.00 O ATOM 542 OE2 GLU A 33 -2.139 -11.837 3.734 1.00 0.00 O ATOM 0 H GLU A 33 -0.561 -7.628 3.103 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.653 -6.858 1.229 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.646 -8.977 1.771 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.945 -9.198 1.414 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.398 -9.482 3.737 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.987 -8.947 4.247 1.00 0.00 H new ATOM 549 N VAL A 34 -3.032 -6.804 4.522 1.00 0.00 N ATOM 550 CA VAL A 34 -3.847 -6.240 5.587 1.00 0.00 C ATOM 551 C VAL A 34 -3.899 -4.725 5.461 1.00 0.00 C ATOM 552 O VAL A 34 -4.927 -4.104 5.741 1.00 0.00 O ATOM 553 CB VAL A 34 -3.335 -6.622 6.993 1.00 0.00 C ATOM 554 CG1 VAL A 34 -3.378 -8.130 7.185 1.00 0.00 C ATOM 555 CG2 VAL A 34 -1.932 -6.084 7.223 1.00 0.00 C ATOM 0 H VAL A 34 -2.210 -7.316 4.841 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.846 -6.661 5.476 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.993 -6.166 7.733 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.014 -8.380 8.181 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.404 -8.482 7.075 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.747 -8.610 6.437 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.593 -6.366 8.220 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.255 -6.502 6.478 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.940 -4.997 7.136 1.00 0.00 H new ATOM 565 N VAL A 35 -2.790 -4.132 5.012 1.00 0.00 N ATOM 566 CA VAL A 35 -2.742 -2.690 4.825 1.00 0.00 C ATOM 567 C VAL A 35 -3.864 -2.286 3.883 1.00 0.00 C ATOM 568 O VAL A 35 -4.581 -1.319 4.134 1.00 0.00 O ATOM 569 CB VAL A 35 -1.381 -2.205 4.274 1.00 0.00 C ATOM 570 CG1 VAL A 35 -1.106 -2.777 2.900 1.00 0.00 C ATOM 571 CG2 VAL A 35 -1.331 -0.688 4.224 1.00 0.00 C ATOM 0 H VAL A 35 -1.928 -4.624 4.776 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.867 -2.217 5.799 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.607 -2.562 4.953 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.142 -2.416 2.542 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.088 -3.865 2.956 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.890 -2.462 2.211 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.365 -0.368 3.833 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.125 -0.319 3.575 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.467 -0.286 5.228 1.00 0.00 H new ATOM 581 N VAL A 36 -4.055 -3.067 2.817 1.00 0.00 N ATOM 582 CA VAL A 36 -5.140 -2.785 1.896 1.00 0.00 C ATOM 583 C VAL A 36 -6.446 -3.236 2.520 1.00 0.00 C ATOM 584 O VAL A 36 -7.456 -2.589 2.370 1.00 0.00 O ATOM 585 CB VAL A 36 -5.008 -3.452 0.511 1.00 0.00 C ATOM 586 CG1 VAL A 36 -5.329 -2.430 -0.574 1.00 0.00 C ATOM 587 CG2 VAL A 36 -3.637 -4.075 0.289 1.00 0.00 C ATOM 0 H VAL A 36 -3.484 -3.878 2.580 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.107 -1.709 1.723 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.724 -4.273 0.463 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -5.237 -2.898 -1.554 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -6.348 -2.066 -0.441 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.633 -1.594 -0.504 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.600 -4.530 -0.701 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.871 -3.304 0.363 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.457 -4.838 1.046 1.00 0.00 H new ATOM 597 N ASN A 37 -6.414 -4.350 3.243 1.00 0.00 N ATOM 598 CA ASN A 37 -7.617 -4.852 3.896 1.00 0.00 C ATOM 599 C ASN A 37 -8.372 -3.694 4.530 1.00 0.00 C ATOM 600 O ASN A 37 -9.601 -3.629 4.475 1.00 0.00 O ATOM 601 CB ASN A 37 -7.250 -5.897 4.952 1.00 0.00 C ATOM 602 CG ASN A 37 -8.449 -6.375 5.745 1.00 0.00 C ATOM 603 OD1 ASN A 37 -9.415 -6.893 5.183 1.00 0.00 O ATOM 604 ND2 ASN A 37 -8.390 -6.205 7.060 1.00 0.00 N ATOM 0 H ASN A 37 -5.579 -4.917 3.391 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.257 -5.328 3.154 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.779 -6.750 4.464 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -6.513 -5.474 5.635 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.166 -6.509 7.649 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.569 -5.771 7.482 1.00 0.00 H new ATOM 611 N GLU A 38 -7.614 -2.760 5.093 1.00 0.00 N ATOM 612 CA GLU A 38 -8.194 -1.571 5.706 1.00 0.00 C ATOM 613 C GLU A 38 -8.660 -0.602 4.625 1.00 0.00 C ATOM 614 O GLU A 38 -9.733 -0.009 4.725 1.00 0.00 O ATOM 615 CB GLU A 38 -7.174 -0.886 6.617 1.00 0.00 C ATOM 616 CG GLU A 38 -6.688 -1.768 7.757 1.00 0.00 C ATOM 617 CD GLU A 38 -5.682 -1.066 8.647 1.00 0.00 C ATOM 618 OE1 GLU A 38 -6.034 -0.020 9.233 1.00 0.00 O ATOM 619 OE2 GLU A 38 -4.540 -1.561 8.760 1.00 0.00 O ATOM 0 H GLU A 38 -6.596 -2.803 5.138 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.051 -1.873 6.308 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.317 -0.574 6.020 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.619 0.018 7.032 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.541 -2.083 8.357 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.237 -2.671 7.346 1.00 0.00 H new ATOM 626 N ARG A 39 -7.839 -0.459 3.589 1.00 0.00 N ATOM 627 CA ARG A 39 -8.146 0.424 2.468 1.00 0.00 C ATOM 628 C ARG A 39 -9.245 -0.167 1.581 1.00 0.00 C ATOM 629 O ARG A 39 -10.240 0.484 1.290 1.00 0.00 O ATOM 630 CB ARG A 39 -6.882 0.680 1.643 1.00 0.00 C ATOM 631 CG ARG A 39 -5.963 1.734 2.243 1.00 0.00 C ATOM 632 CD ARG A 39 -5.390 1.292 3.576 1.00 0.00 C ATOM 633 NE ARG A 39 -5.055 2.423 4.433 1.00 0.00 N ATOM 634 CZ ARG A 39 -5.964 3.253 4.934 1.00 0.00 C ATOM 635 NH1 ARG A 39 -7.249 3.072 4.657 1.00 0.00 N ATOM 636 NH2 ARG A 39 -5.592 4.262 5.708 1.00 0.00 N ATOM 0 H ARG A 39 -6.948 -0.948 3.502 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.511 1.369 2.870 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.330 -0.254 1.540 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.171 0.991 0.639 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.149 1.943 1.549 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.515 2.664 2.376 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.111 0.653 4.086 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.497 0.691 3.404 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.074 2.585 4.659 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.538 2.297 4.060 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.948 3.708 5.041 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.605 4.404 5.921 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.293 4.897 6.090 1.00 0.00 H new ATOM 650 N ARG A 40 -9.063 -1.406 1.159 1.00 0.00 N ATOM 651 CA ARG A 40 -10.045 -2.077 0.317 1.00 0.00 C ATOM 652 C ARG A 40 -11.450 -1.898 0.885 1.00 0.00 C ATOM 653 O ARG A 40 -12.415 -1.740 0.138 1.00 0.00 O ATOM 654 CB ARG A 40 -9.708 -3.572 0.178 1.00 0.00 C ATOM 655 CG ARG A 40 -8.482 -3.859 -0.686 1.00 0.00 C ATOM 656 CD ARG A 40 -8.728 -3.526 -2.152 1.00 0.00 C ATOM 657 NE ARG A 40 -8.935 -2.096 -2.371 1.00 0.00 N ATOM 658 CZ ARG A 40 -9.232 -1.568 -3.555 1.00 0.00 C ATOM 659 NH1 ARG A 40 -9.358 -2.345 -4.620 1.00 0.00 N ATOM 660 NH2 ARG A 40 -9.404 -0.259 -3.672 1.00 0.00 N ATOM 0 H ARG A 40 -8.244 -1.971 1.385 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.013 -1.623 -0.674 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.545 -3.990 1.171 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.568 -4.089 -0.248 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.636 -3.278 -0.319 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.211 -4.911 -0.593 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -7.878 -3.863 -2.746 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.601 -4.075 -2.505 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.847 -1.468 -1.572 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.227 -3.353 -4.534 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.586 -1.936 -5.526 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.309 0.343 -2.854 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.632 0.146 -4.580 1.00 0.00 H new ATOM 674 N GLU A 41 -11.557 -1.930 2.210 1.00 0.00 N ATOM 675 CA GLU A 41 -12.848 -1.779 2.878 1.00 0.00 C ATOM 676 C GLU A 41 -13.221 -0.311 3.127 1.00 0.00 C ATOM 677 O GLU A 41 -14.360 0.092 2.893 1.00 0.00 O ATOM 678 CB GLU A 41 -12.840 -2.537 4.207 1.00 0.00 C ATOM 679 CG GLU A 41 -12.610 -4.032 4.053 1.00 0.00 C ATOM 680 CD GLU A 41 -12.598 -4.763 5.382 1.00 0.00 C ATOM 681 OE1 GLU A 41 -12.772 -4.101 6.426 1.00 0.00 O ATOM 682 OE2 GLU A 41 -12.415 -5.999 5.377 1.00 0.00 O ATOM 0 H GLU A 41 -10.767 -2.059 2.843 1.00 0.00 H new ATOM 0 HA GLU A 41 -13.601 -2.196 2.209 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -12.062 -2.122 4.848 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -13.791 -2.374 4.714 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -13.391 -4.452 3.419 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.661 -4.199 3.543 1.00 0.00 H new ATOM 689 N GLU A 42 -12.271 0.479 3.630 1.00 0.00 N ATOM 690 CA GLU A 42 -12.527 1.887 3.942 1.00 0.00 C ATOM 691 C GLU A 42 -12.295 2.798 2.742 1.00 0.00 C ATOM 692 O GLU A 42 -13.088 3.698 2.470 1.00 0.00 O ATOM 693 CB GLU A 42 -11.645 2.338 5.108 1.00 0.00 C ATOM 694 CG GLU A 42 -11.886 1.559 6.390 1.00 0.00 C ATOM 695 CD GLU A 42 -11.005 2.029 7.532 1.00 0.00 C ATOM 696 OE1 GLU A 42 -9.766 1.963 7.392 1.00 0.00 O ATOM 697 OE2 GLU A 42 -11.554 2.463 8.566 1.00 0.00 O ATOM 0 H GLU A 42 -11.320 0.169 3.830 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.578 1.967 4.219 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.598 2.235 4.822 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.821 3.397 5.298 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.932 1.657 6.679 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.704 0.500 6.207 1.00 0.00 H new ATOM 704 N GLU A 43 -11.197 2.573 2.039 1.00 0.00 N ATOM 705 CA GLU A 43 -10.858 3.385 0.881 1.00 0.00 C ATOM 706 C GLU A 43 -11.931 3.270 -0.193 1.00 0.00 C ATOM 707 O GLU A 43 -12.391 4.280 -0.729 1.00 0.00 O ATOM 708 CB GLU A 43 -9.497 2.987 0.327 1.00 0.00 C ATOM 709 CG GLU A 43 -9.008 3.886 -0.794 1.00 0.00 C ATOM 710 CD GLU A 43 -9.079 5.364 -0.460 1.00 0.00 C ATOM 711 OE1 GLU A 43 -10.200 5.887 -0.286 1.00 0.00 O ATOM 712 OE2 GLU A 43 -8.010 6.000 -0.374 1.00 0.00 O ATOM 0 H GLU A 43 -10.525 1.835 2.250 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.807 4.426 1.199 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.767 3.001 1.136 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.549 1.961 -0.038 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.977 3.625 -1.035 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.602 3.695 -1.688 1.00 0.00 H new ATOM 719 N SER A 44 -12.351 2.042 -0.482 1.00 0.00 N ATOM 720 CA SER A 44 -13.401 1.824 -1.465 1.00 0.00 C ATOM 721 C SER A 44 -14.629 2.609 -1.032 1.00 0.00 C ATOM 722 O SER A 44 -15.370 3.152 -1.853 1.00 0.00 O ATOM 723 CB SER A 44 -13.736 0.337 -1.586 1.00 0.00 C ATOM 724 OG SER A 44 -14.753 0.118 -2.546 1.00 0.00 O ATOM 0 H SER A 44 -11.984 1.192 -0.053 1.00 0.00 H new ATOM 0 HA SER A 44 -13.062 2.164 -2.444 1.00 0.00 H new ATOM 0 HB2 SER A 44 -12.841 -0.218 -1.867 1.00 0.00 H new ATOM 0 HB3 SER A 44 -14.058 -0.046 -0.618 1.00 0.00 H new ATOM 0 HG SER A 44 -14.947 -0.841 -2.604 1.00 0.00 H new ATOM 730 N ALA A 45 -14.805 2.678 0.284 1.00 0.00 N ATOM 731 CA ALA A 45 -15.906 3.410 0.884 1.00 0.00 C ATOM 732 C ALA A 45 -15.773 4.898 0.579 1.00 0.00 C ATOM 733 O ALA A 45 -16.747 5.558 0.218 1.00 0.00 O ATOM 734 CB ALA A 45 -15.923 3.169 2.386 1.00 0.00 C ATOM 0 H ALA A 45 -14.188 2.228 0.960 1.00 0.00 H new ATOM 0 HA ALA A 45 -16.847 3.057 0.462 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -16.750 3.720 2.834 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -16.048 2.104 2.582 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -14.983 3.510 2.820 1.00 0.00 H new ATOM 740 N ALA A 46 -14.552 5.414 0.715 1.00 0.00 N ATOM 741 CA ALA A 46 -14.278 6.818 0.440 1.00 0.00 C ATOM 742 C ALA A 46 -14.615 7.150 -1.007 1.00 0.00 C ATOM 743 O ALA A 46 -15.156 8.217 -1.303 1.00 0.00 O ATOM 744 CB ALA A 46 -12.818 7.139 0.733 1.00 0.00 C ATOM 0 H ALA A 46 -13.738 4.877 1.015 1.00 0.00 H new ATOM 0 HA ALA A 46 -14.905 7.429 1.090 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.628 8.192 0.523 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -12.604 6.934 1.782 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.176 6.522 0.104 1.00 0.00 H new ATOM 947 N GLU B 2 -10.383 -7.795 -1.380 1.00 0.00 N ATOM 948 CA GLU B 2 -9.481 -7.857 -2.523 1.00 0.00 C ATOM 949 C GLU B 2 -8.027 -8.003 -2.081 1.00 0.00 C ATOM 950 O GLU B 2 -7.212 -8.563 -2.804 1.00 0.00 O ATOM 951 CB GLU B 2 -9.641 -6.609 -3.394 1.00 0.00 C ATOM 952 CG GLU B 2 -8.760 -6.614 -4.633 1.00 0.00 C ATOM 953 CD GLU B 2 -8.943 -5.373 -5.483 1.00 0.00 C ATOM 954 OE1 GLU B 2 -10.077 -5.132 -5.946 1.00 0.00 O ATOM 955 OE2 GLU B 2 -7.951 -4.641 -5.685 1.00 0.00 O ATOM 0 HA GLU B 2 -9.746 -8.739 -3.107 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -10.683 -6.521 -3.700 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -9.409 -5.727 -2.797 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -7.716 -6.692 -4.331 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -8.986 -7.496 -5.232 1.00 0.00 H new ATOM 962 N ALA B 3 -7.710 -7.492 -0.895 1.00 0.00 N ATOM 963 CA ALA B 3 -6.349 -7.561 -0.360 1.00 0.00 C ATOM 964 C ALA B 3 -6.039 -8.957 0.152 1.00 0.00 C ATOM 965 O ALA B 3 -4.885 -9.366 0.258 1.00 0.00 O ATOM 966 CB ALA B 3 -6.170 -6.540 0.750 1.00 0.00 C ATOM 0 H ALA B 3 -8.378 -7.024 -0.282 1.00 0.00 H new ATOM 0 HA ALA B 3 -5.652 -7.332 -1.166 1.00 0.00 H new ATOM 0 HB1 ALA B 3 -5.154 -6.601 1.140 1.00 0.00 H new ATOM 0 HB2 ALA B 3 -6.348 -5.539 0.356 1.00 0.00 H new ATOM 0 HB3 ALA B 3 -6.879 -6.746 1.552 1.00 0.00 H new ATOM 972 N LEU B 4 -7.090 -9.672 0.477 1.00 0.00 N ATOM 973 CA LEU B 4 -6.993 -11.022 0.981 1.00 0.00 C ATOM 974 C LEU B 4 -6.922 -12.008 -0.179 1.00 0.00 C ATOM 975 O LEU B 4 -6.122 -12.940 -0.182 1.00 0.00 O ATOM 976 CB LEU B 4 -8.216 -11.300 1.849 1.00 0.00 C ATOM 977 CG LEU B 4 -8.285 -10.535 3.181 1.00 0.00 C ATOM 978 CD1 LEU B 4 -7.821 -9.090 3.030 1.00 0.00 C ATOM 979 CD2 LEU B 4 -9.700 -10.574 3.721 1.00 0.00 C ATOM 0 H LEU B 4 -8.047 -9.329 0.398 1.00 0.00 H new ATOM 0 HA LEU B 4 -6.088 -11.138 1.577 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -9.109 -11.064 1.270 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -8.249 -12.368 2.064 1.00 0.00 H new ATOM 0 HG LEU B 4 -7.610 -11.024 3.883 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -7.885 -8.585 3.994 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -6.789 -9.074 2.680 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -8.457 -8.577 2.308 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -9.744 -10.031 4.665 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -10.376 -10.110 3.003 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -9.999 -11.609 3.884 1.00 0.00 H new ATOM 991 N LYS B 5 -7.786 -11.777 -1.160 1.00 0.00 N ATOM 992 CA LYS B 5 -7.872 -12.613 -2.347 1.00 0.00 C ATOM 993 C LYS B 5 -6.784 -12.258 -3.361 1.00 0.00 C ATOM 994 O LYS B 5 -6.396 -13.095 -4.177 1.00 0.00 O ATOM 995 CB LYS B 5 -9.265 -12.474 -2.973 1.00 0.00 C ATOM 996 CG LYS B 5 -9.497 -13.367 -4.181 1.00 0.00 C ATOM 997 CD LYS B 5 -8.926 -12.755 -5.447 1.00 0.00 C ATOM 998 CE LYS B 5 -9.176 -13.641 -6.657 1.00 0.00 C ATOM 999 NZ LYS B 5 -8.634 -13.041 -7.908 1.00 0.00 N ATOM 0 H LYS B 5 -8.448 -11.001 -1.153 1.00 0.00 H new ATOM 0 HA LYS B 5 -7.713 -13.650 -2.052 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -10.016 -12.703 -2.216 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -9.416 -11.436 -3.268 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -9.038 -14.340 -4.008 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -10.566 -13.537 -4.309 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -9.375 -11.776 -5.613 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -7.854 -12.598 -5.325 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -8.717 -14.616 -6.494 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -10.247 -13.808 -6.769 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -8.825 -13.676 -8.709 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -9.090 -12.122 -8.078 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -7.607 -12.905 -7.811 1.00 0.00 H new ATOM 1013 N ILE B 6 -6.285 -11.022 -3.303 1.00 0.00 N ATOM 1014 CA ILE B 6 -5.244 -10.588 -4.219 1.00 0.00 C ATOM 1015 C ILE B 6 -4.093 -11.563 -4.168 1.00 0.00 C ATOM 1016 O ILE B 6 -3.694 -12.148 -5.176 1.00 0.00 O ATOM 1017 CB ILE B 6 -4.709 -9.189 -3.847 1.00 0.00 C ATOM 1018 CG1 ILE B 6 -3.512 -8.847 -4.715 1.00 0.00 C ATOM 1019 CG2 ILE B 6 -4.321 -9.134 -2.384 1.00 0.00 C ATOM 1020 CD1 ILE B 6 -2.879 -7.526 -4.364 1.00 0.00 C ATOM 0 H ILE B 6 -6.586 -10.313 -2.634 1.00 0.00 H new ATOM 0 HA ILE B 6 -5.678 -10.546 -5.218 1.00 0.00 H new ATOM 0 HB ILE B 6 -5.500 -8.459 -4.020 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -2.766 -9.636 -4.620 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -3.823 -8.827 -5.759 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -3.947 -8.139 -2.144 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -5.193 -9.352 -1.768 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -3.543 -9.872 -2.186 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -2.030 -7.343 -5.022 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -3.611 -6.728 -4.486 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -2.537 -7.550 -3.329 1.00 0.00 H new ATOM 1032 N LEU B 7 -3.587 -11.737 -2.969 1.00 0.00 N ATOM 1033 CA LEU B 7 -2.501 -12.642 -2.718 1.00 0.00 C ATOM 1034 C LEU B 7 -3.079 -13.994 -2.328 1.00 0.00 C ATOM 1035 O LEU B 7 -2.357 -14.980 -2.175 1.00 0.00 O ATOM 1036 CB LEU B 7 -1.594 -12.058 -1.626 1.00 0.00 C ATOM 1037 CG LEU B 7 -1.730 -12.660 -0.225 1.00 0.00 C ATOM 1038 CD1 LEU B 7 -0.814 -13.863 -0.064 1.00 0.00 C ATOM 1039 CD2 LEU B 7 -1.420 -11.610 0.827 1.00 0.00 C ATOM 0 H LEU B 7 -3.923 -11.249 -2.138 1.00 0.00 H new ATOM 0 HA LEU B 7 -1.888 -12.779 -3.609 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -0.558 -12.172 -1.947 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -1.790 -10.988 -1.557 1.00 0.00 H new ATOM 0 HG LEU B 7 -2.758 -12.997 -0.091 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -0.927 -14.275 0.939 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -1.078 -14.622 -0.800 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.221 -13.555 -0.215 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -1.520 -12.049 1.820 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -0.401 -11.248 0.691 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -2.117 -10.778 0.727 1.00 0.00 H new ATOM 1051 N ASN B 8 -4.406 -14.022 -2.179 1.00 0.00 N ATOM 1052 CA ASN B 8 -5.115 -15.243 -1.811 1.00 0.00 C ATOM 1053 C ASN B 8 -4.611 -15.772 -0.470 1.00 0.00 C ATOM 1054 O ASN B 8 -4.528 -16.980 -0.255 1.00 0.00 O ATOM 1055 CB ASN B 8 -4.947 -16.305 -2.902 1.00 0.00 C ATOM 1056 CG ASN B 8 -5.790 -17.540 -2.649 1.00 0.00 C ATOM 1057 OD1 ASN B 8 -7.015 -17.460 -2.560 1.00 0.00 O ATOM 1058 ND2 ASN B 8 -5.137 -18.688 -2.529 1.00 0.00 N ATOM 0 H ASN B 8 -5.009 -13.210 -2.309 1.00 0.00 H new ATOM 0 HA ASN B 8 -6.175 -15.011 -1.712 1.00 0.00 H new ATOM 0 HB2 ASN B 8 -5.218 -15.876 -3.866 1.00 0.00 H new ATOM 0 HB3 ASN B 8 -3.898 -16.593 -2.965 1.00 0.00 H new ATOM 0 HD21 ASN B 8 -5.651 -19.552 -2.356 1.00 0.00 H new ATOM 0 HD22 ASN B 8 -4.120 -18.707 -2.610 1.00 0.00 H new ATOM 1065 N ASN B 9 -4.284 -14.844 0.428 1.00 0.00 N ATOM 1066 CA ASN B 9 -3.791 -15.185 1.758 1.00 0.00 C ATOM 1067 C ASN B 9 -2.476 -15.963 1.686 1.00 0.00 C ATOM 1068 O ASN B 9 -2.354 -16.943 0.953 1.00 0.00 O ATOM 1069 CB ASN B 9 -4.842 -15.990 2.525 1.00 0.00 C ATOM 1070 CG ASN B 9 -6.146 -15.231 2.739 1.00 0.00 C ATOM 1071 OD1 ASN B 9 -7.080 -15.755 3.346 1.00 0.00 O ATOM 1072 ND2 ASN B 9 -6.224 -13.994 2.248 1.00 0.00 N ATOM 0 H ASN B 9 -4.353 -13.841 0.254 1.00 0.00 H new ATOM 0 HA ASN B 9 -3.599 -14.253 2.290 1.00 0.00 H new ATOM 0 HB2 ASN B 9 -5.051 -16.912 1.982 1.00 0.00 H new ATOM 0 HB3 ASN B 9 -4.434 -16.277 3.494 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -7.078 -13.450 2.370 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -5.430 -13.592 1.750 1.00 0.00 H new ATOM 1079 N ILE B 10 -1.498 -15.509 2.462 1.00 0.00 N ATOM 1080 CA ILE B 10 -0.179 -16.138 2.516 1.00 0.00 C ATOM 1081 C ILE B 10 -0.274 -17.617 2.875 1.00 0.00 C ATOM 1082 O ILE B 10 0.564 -18.416 2.467 1.00 0.00 O ATOM 1083 CB ILE B 10 0.713 -15.430 3.542 1.00 0.00 C ATOM 1084 CG1 ILE B 10 0.027 -15.428 4.908 1.00 0.00 C ATOM 1085 CG2 ILE B 10 1.026 -14.011 3.082 1.00 0.00 C ATOM 1086 CD1 ILE B 10 0.801 -14.692 5.969 1.00 0.00 C ATOM 0 H ILE B 10 -1.595 -14.696 3.071 1.00 0.00 H new ATOM 0 HA ILE B 10 0.259 -16.049 1.522 1.00 0.00 H new ATOM 0 HB ILE B 10 1.657 -15.968 3.631 1.00 0.00 H new ATOM 0 HG12 ILE B 10 -0.959 -14.975 4.809 1.00 0.00 H new ATOM 0 HG13 ILE B 10 -0.126 -16.458 5.230 1.00 0.00 H new ATOM 0 HG21 ILE B 10 1.660 -13.521 3.821 1.00 0.00 H new ATOM 0 HG22 ILE B 10 1.545 -14.045 2.124 1.00 0.00 H new ATOM 0 HG23 ILE B 10 0.097 -13.451 2.972 1.00 0.00 H new ATOM 0 HD11 ILE B 10 0.255 -14.732 6.911 1.00 0.00 H new ATOM 0 HD12 ILE B 10 1.778 -15.158 6.096 1.00 0.00 H new ATOM 0 HD13 ILE B 10 0.932 -13.652 5.669 1.00 0.00 H new ATOM 1098 N ARG B 11 -1.292 -17.975 3.650 1.00 0.00 N ATOM 1099 CA ARG B 11 -1.483 -19.360 4.070 1.00 0.00 C ATOM 1100 C ARG B 11 -1.583 -20.298 2.866 1.00 0.00 C ATOM 1101 O ARG B 11 -0.886 -21.312 2.793 1.00 0.00 O ATOM 1102 CB ARG B 11 -2.740 -19.478 4.934 1.00 0.00 C ATOM 1103 CG ARG B 11 -3.995 -18.939 4.264 1.00 0.00 C ATOM 1104 CD ARG B 11 -5.214 -19.086 5.160 1.00 0.00 C ATOM 1105 NE ARG B 11 -5.479 -20.482 5.497 1.00 0.00 N ATOM 1106 CZ ARG B 11 -6.502 -20.878 6.248 1.00 0.00 C ATOM 1107 NH1 ARG B 11 -7.356 -19.988 6.734 1.00 0.00 N ATOM 1108 NH2 ARG B 11 -6.672 -22.167 6.510 1.00 0.00 N ATOM 0 H ARG B 11 -1.997 -17.327 4.000 1.00 0.00 H new ATOM 0 HA ARG B 11 -0.614 -19.657 4.657 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -2.897 -20.526 5.190 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -2.579 -18.942 5.869 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -3.852 -17.888 4.013 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -4.165 -19.470 3.327 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -5.062 -18.514 6.076 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -6.085 -18.662 4.660 1.00 0.00 H new ATOM 0 HE ARG B 11 -4.843 -21.193 5.136 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -7.229 -18.996 6.532 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -8.140 -20.295 7.310 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -6.018 -22.854 6.135 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -7.457 -22.471 7.086 1.00 0.00 H new ATOM 1122 N THR B 12 -2.453 -19.954 1.924 1.00 0.00 N ATOM 1123 CA THR B 12 -2.644 -20.761 0.727 1.00 0.00 C ATOM 1124 C THR B 12 -1.529 -20.521 -0.286 1.00 0.00 C ATOM 1125 O THR B 12 -1.085 -21.447 -0.968 1.00 0.00 O ATOM 1126 CB THR B 12 -4.001 -20.466 0.060 1.00 0.00 C ATOM 1127 OG1 THR B 12 -5.068 -20.754 0.974 1.00 0.00 O ATOM 1128 CG2 THR B 12 -4.176 -21.292 -1.205 1.00 0.00 C ATOM 0 H THR B 12 -3.038 -19.120 1.967 1.00 0.00 H new ATOM 0 HA THR B 12 -2.622 -21.804 1.045 1.00 0.00 H new ATOM 0 HB THR B 12 -4.026 -19.410 -0.209 1.00 0.00 H new ATOM 0 HG1 THR B 12 -5.928 -20.563 0.544 1.00 0.00 H new ATOM 0 HG21 THR B 12 -5.142 -21.065 -1.657 1.00 0.00 H new ATOM 0 HG22 THR B 12 -3.380 -21.051 -1.910 1.00 0.00 H new ATOM 0 HG23 THR B 12 -4.132 -22.352 -0.956 1.00 0.00 H new ATOM 1136 N LEU B 13 -1.096 -19.270 -0.388 1.00 0.00 N ATOM 1137 CA LEU B 13 -0.048 -18.902 -1.329 1.00 0.00 C ATOM 1138 C LEU B 13 1.268 -19.601 -1.009 1.00 0.00 C ATOM 1139 O LEU B 13 1.850 -20.252 -1.870 1.00 0.00 O ATOM 1140 CB LEU B 13 0.159 -17.385 -1.345 1.00 0.00 C ATOM 1141 CG LEU B 13 1.189 -16.881 -2.365 1.00 0.00 C ATOM 1142 CD1 LEU B 13 1.051 -15.380 -2.557 1.00 0.00 C ATOM 1143 CD2 LEU B 13 2.606 -17.229 -1.925 1.00 0.00 C ATOM 0 H LEU B 13 -1.455 -18.495 0.169 1.00 0.00 H new ATOM 0 HA LEU B 13 -0.374 -19.228 -2.317 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -0.798 -16.905 -1.550 1.00 0.00 H new ATOM 0 HB3 LEU B 13 0.469 -17.065 -0.350 1.00 0.00 H new ATOM 0 HG LEU B 13 0.996 -17.377 -3.316 1.00 0.00 H new ATOM 0 HD11 LEU B 13 1.788 -15.037 -3.283 1.00 0.00 H new ATOM 0 HD12 LEU B 13 0.049 -15.150 -2.920 1.00 0.00 H new ATOM 0 HD13 LEU B 13 1.217 -14.875 -1.605 1.00 0.00 H new ATOM 0 HD21 LEU B 13 3.317 -16.861 -2.664 1.00 0.00 H new ATOM 0 HD22 LEU B 13 2.812 -16.764 -0.961 1.00 0.00 H new ATOM 0 HD23 LEU B 13 2.704 -18.311 -1.835 1.00 0.00 H new ATOM 1155 N ARG B 14 1.742 -19.441 0.222 1.00 0.00 N ATOM 1156 CA ARG B 14 3.006 -20.041 0.639 1.00 0.00 C ATOM 1157 C ARG B 14 3.097 -21.497 0.203 1.00 0.00 C ATOM 1158 O ARG B 14 4.179 -21.999 -0.091 1.00 0.00 O ATOM 1159 CB ARG B 14 3.175 -19.945 2.156 1.00 0.00 C ATOM 1160 CG ARG B 14 2.234 -20.848 2.936 1.00 0.00 C ATOM 1161 CD ARG B 14 2.483 -20.752 4.433 1.00 0.00 C ATOM 1162 NE ARG B 14 3.882 -21.008 4.773 1.00 0.00 N ATOM 1163 CZ ARG B 14 4.508 -22.158 4.532 1.00 0.00 C ATOM 1164 NH1 ARG B 14 3.860 -23.166 3.963 1.00 0.00 N ATOM 1165 NH2 ARG B 14 5.785 -22.299 4.862 1.00 0.00 N ATOM 0 H ARG B 14 1.271 -18.902 0.948 1.00 0.00 H new ATOM 0 HA ARG B 14 3.808 -19.484 0.155 1.00 0.00 H new ATOM 0 HB2 ARG B 14 4.203 -20.198 2.414 1.00 0.00 H new ATOM 0 HB3 ARG B 14 3.013 -18.913 2.466 1.00 0.00 H new ATOM 0 HG2 ARG B 14 1.202 -20.573 2.719 1.00 0.00 H new ATOM 0 HG3 ARG B 14 2.364 -21.880 2.610 1.00 0.00 H new ATOM 0 HD2 ARG B 14 2.200 -19.760 4.785 1.00 0.00 H new ATOM 0 HD3 ARG B 14 1.847 -21.468 4.953 1.00 0.00 H new ATOM 0 HE ARG B 14 4.410 -20.260 5.222 1.00 0.00 H new ATOM 0 HH11 ARG B 14 2.878 -23.062 3.708 1.00 0.00 H new ATOM 0 HH12 ARG B 14 4.344 -24.045 3.780 1.00 0.00 H new ATOM 0 HH21 ARG B 14 6.287 -21.527 5.300 1.00 0.00 H new ATOM 0 HH22 ARG B 14 6.265 -23.180 4.678 1.00 0.00 H new ATOM 1179 N ALA B 15 1.955 -22.170 0.179 1.00 0.00 N ATOM 1180 CA ALA B 15 1.897 -23.576 -0.206 1.00 0.00 C ATOM 1181 C ALA B 15 1.875 -23.759 -1.718 1.00 0.00 C ATOM 1182 O ALA B 15 2.669 -24.522 -2.271 1.00 0.00 O ATOM 1183 CB ALA B 15 0.676 -24.231 0.401 1.00 0.00 C ATOM 0 H ALA B 15 1.052 -21.764 0.423 1.00 0.00 H new ATOM 0 HA ALA B 15 2.802 -24.051 0.173 1.00 0.00 H new ATOM 0 HB1 ALA B 15 0.642 -25.280 0.107 1.00 0.00 H new ATOM 0 HB2 ALA B 15 0.727 -24.160 1.487 1.00 0.00 H new ATOM 0 HB3 ALA B 15 -0.222 -23.726 0.046 1.00 0.00 H new ATOM 1189 N GLN B 16 0.960 -23.064 -2.385 1.00 0.00 N ATOM 1190 CA GLN B 16 0.843 -23.169 -3.839 1.00 0.00 C ATOM 1191 C GLN B 16 2.116 -22.669 -4.498 1.00 0.00 C ATOM 1192 O GLN B 16 2.527 -23.149 -5.554 1.00 0.00 O ATOM 1193 CB GLN B 16 -0.360 -22.366 -4.343 1.00 0.00 C ATOM 1194 CG GLN B 16 -0.254 -20.881 -4.043 1.00 0.00 C ATOM 1195 CD GLN B 16 -1.460 -20.088 -4.513 1.00 0.00 C ATOM 1196 OE1 GLN B 16 -1.794 -20.086 -5.698 1.00 0.00 O ATOM 1197 NE2 GLN B 16 -2.118 -19.404 -3.581 1.00 0.00 N ATOM 0 H GLN B 16 0.293 -22.427 -1.949 1.00 0.00 H new ATOM 0 HA GLN B 16 0.692 -24.216 -4.101 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -0.458 -22.507 -5.419 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -1.268 -22.759 -3.886 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -0.132 -20.742 -2.969 1.00 0.00 H new ATOM 0 HG3 GLN B 16 0.642 -20.484 -4.520 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -1.806 -19.434 -2.610 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -2.935 -18.849 -3.837 1.00 0.00 H new ATOM 1206 N ALA B 17 2.732 -21.704 -3.843 1.00 0.00 N ATOM 1207 CA ALA B 17 3.968 -21.105 -4.307 1.00 0.00 C ATOM 1208 C ALA B 17 5.156 -21.919 -3.831 1.00 0.00 C ATOM 1209 O ALA B 17 6.230 -21.879 -4.431 1.00 0.00 O ATOM 1210 CB ALA B 17 4.073 -19.673 -3.818 1.00 0.00 C ATOM 0 H ALA B 17 2.386 -21.311 -2.968 1.00 0.00 H new ATOM 0 HA ALA B 17 3.968 -21.098 -5.397 1.00 0.00 H new ATOM 0 HB1 ALA B 17 5.006 -19.235 -4.173 1.00 0.00 H new ATOM 0 HB2 ALA B 17 3.232 -19.095 -4.201 1.00 0.00 H new ATOM 0 HB3 ALA B 17 4.057 -19.659 -2.728 1.00 0.00 H new ATOM 1216 N ARG B 18 4.956 -22.652 -2.739 1.00 0.00 N ATOM 1217 CA ARG B 18 6.011 -23.480 -2.172 1.00 0.00 C ATOM 1218 C ARG B 18 6.665 -24.318 -3.261 1.00 0.00 C ATOM 1219 O ARG B 18 7.866 -24.583 -3.222 1.00 0.00 O ATOM 1220 CB ARG B 18 5.445 -24.398 -1.087 1.00 0.00 C ATOM 1221 CG ARG B 18 6.505 -25.068 -0.229 1.00 0.00 C ATOM 1222 CD ARG B 18 7.261 -24.052 0.615 1.00 0.00 C ATOM 1223 NE ARG B 18 8.176 -23.236 -0.181 1.00 0.00 N ATOM 1224 CZ ARG B 18 9.227 -23.725 -0.832 1.00 0.00 C ATOM 1225 NH1 ARG B 18 9.506 -25.021 -0.780 1.00 0.00 N ATOM 1226 NH2 ARG B 18 10.005 -22.914 -1.539 1.00 0.00 N ATOM 0 H ARG B 18 4.072 -22.688 -2.231 1.00 0.00 H new ATOM 0 HA ARG B 18 6.759 -22.825 -1.726 1.00 0.00 H new ATOM 0 HB2 ARG B 18 4.784 -23.818 -0.443 1.00 0.00 H new ATOM 0 HB3 ARG B 18 4.834 -25.168 -1.559 1.00 0.00 H new ATOM 0 HG2 ARG B 18 6.036 -25.806 0.421 1.00 0.00 H new ATOM 0 HG3 ARG B 18 7.206 -25.606 -0.868 1.00 0.00 H new ATOM 0 HD2 ARG B 18 6.548 -23.403 1.122 1.00 0.00 H new ATOM 0 HD3 ARG B 18 7.824 -24.574 1.389 1.00 0.00 H new ATOM 0 HE ARG B 18 7.998 -22.233 -0.240 1.00 0.00 H new ATOM 0 HH11 ARG B 18 8.913 -25.649 -0.238 1.00 0.00 H new ATOM 0 HH12 ARG B 18 10.314 -25.389 -1.282 1.00 0.00 H new ATOM 0 HH21 ARG B 18 9.796 -21.917 -1.582 1.00 0.00 H new ATOM 0 HH22 ARG B 18 10.812 -23.288 -2.039 1.00 0.00 H new ATOM 1240 N GLU B 19 5.862 -24.726 -4.233 1.00 0.00 N ATOM 1241 CA GLU B 19 6.335 -25.523 -5.335 1.00 0.00 C ATOM 1242 C GLU B 19 7.396 -24.774 -6.138 1.00 0.00 C ATOM 1243 O GLU B 19 8.351 -25.371 -6.632 1.00 0.00 O ATOM 1244 CB GLU B 19 5.151 -25.885 -6.224 1.00 0.00 C ATOM 1245 CG GLU B 19 5.538 -26.765 -7.378 1.00 0.00 C ATOM 1246 CD GLU B 19 4.359 -27.146 -8.252 1.00 0.00 C ATOM 1247 OE1 GLU B 19 3.712 -26.233 -8.808 1.00 0.00 O ATOM 1248 OE2 GLU B 19 4.084 -28.357 -8.384 1.00 0.00 O ATOM 0 H GLU B 19 4.866 -24.509 -4.272 1.00 0.00 H new ATOM 0 HA GLU B 19 6.797 -26.431 -4.948 1.00 0.00 H new ATOM 0 HB2 GLU B 19 4.394 -26.391 -5.625 1.00 0.00 H new ATOM 0 HB3 GLU B 19 4.697 -24.971 -6.606 1.00 0.00 H new ATOM 0 HG2 GLU B 19 6.283 -26.252 -7.986 1.00 0.00 H new ATOM 0 HG3 GLU B 19 6.008 -27.671 -6.996 1.00 0.00 H new ATOM 1255 N SER B 20 7.215 -23.461 -6.266 1.00 0.00 N ATOM 1256 CA SER B 20 8.153 -22.629 -7.014 1.00 0.00 C ATOM 1257 C SER B 20 9.040 -21.805 -6.075 1.00 0.00 C ATOM 1258 O SER B 20 9.433 -22.276 -5.007 1.00 0.00 O ATOM 1259 CB SER B 20 7.385 -21.707 -7.967 1.00 0.00 C ATOM 1260 OG SER B 20 6.546 -20.818 -7.251 1.00 0.00 O ATOM 0 H SER B 20 6.429 -22.952 -5.862 1.00 0.00 H new ATOM 0 HA SER B 20 8.803 -23.285 -7.593 1.00 0.00 H new ATOM 0 HB2 SER B 20 8.089 -21.138 -8.574 1.00 0.00 H new ATOM 0 HB3 SER B 20 6.785 -22.306 -8.652 1.00 0.00 H new ATOM 0 HG SER B 20 6.519 -21.082 -6.308 1.00 0.00 H new ATOM 1266 N THR B 21 9.353 -20.575 -6.485 1.00 0.00 N ATOM 1267 CA THR B 21 10.195 -19.684 -5.691 1.00 0.00 C ATOM 1268 C THR B 21 9.367 -18.529 -5.124 1.00 0.00 C ATOM 1269 O THR B 21 8.169 -18.432 -5.394 1.00 0.00 O ATOM 1270 CB THR B 21 11.353 -19.122 -6.546 1.00 0.00 C ATOM 1271 OG1 THR B 21 11.949 -20.178 -7.308 1.00 0.00 O ATOM 1272 CG2 THR B 21 12.420 -18.472 -5.677 1.00 0.00 C ATOM 0 H THR B 21 9.034 -20.173 -7.367 1.00 0.00 H new ATOM 0 HA THR B 21 10.613 -20.261 -4.866 1.00 0.00 H new ATOM 0 HB THR B 21 10.939 -18.364 -7.212 1.00 0.00 H new ATOM 0 HG1 THR B 21 12.681 -19.817 -7.850 1.00 0.00 H new ATOM 0 HG21 THR B 21 13.220 -18.087 -6.310 1.00 0.00 H new ATOM 0 HG22 THR B 21 11.978 -17.652 -5.111 1.00 0.00 H new ATOM 0 HG23 THR B 21 12.827 -19.211 -4.987 1.00 0.00 H new ATOM 1280 N LEU B 22 10.001 -17.653 -4.346 1.00 0.00 N ATOM 1281 CA LEU B 22 9.319 -16.517 -3.763 1.00 0.00 C ATOM 1282 C LEU B 22 8.776 -15.611 -4.858 1.00 0.00 C ATOM 1283 O LEU B 22 7.952 -14.751 -4.603 1.00 0.00 O ATOM 1284 CB LEU B 22 10.255 -15.745 -2.825 1.00 0.00 C ATOM 1285 CG LEU B 22 10.703 -14.369 -3.320 1.00 0.00 C ATOM 1286 CD1 LEU B 22 11.374 -13.601 -2.197 1.00 0.00 C ATOM 1287 CD2 LEU B 22 11.633 -14.481 -4.518 1.00 0.00 C ATOM 0 H LEU B 22 10.991 -17.716 -4.109 1.00 0.00 H new ATOM 0 HA LEU B 22 8.479 -16.881 -3.171 1.00 0.00 H new ATOM 0 HB2 LEU B 22 9.755 -15.620 -1.865 1.00 0.00 H new ATOM 0 HB3 LEU B 22 11.142 -16.353 -2.646 1.00 0.00 H new ATOM 0 HG LEU B 22 9.816 -13.824 -3.642 1.00 0.00 H new ATOM 0 HD11 LEU B 22 11.688 -12.623 -2.562 1.00 0.00 H new ATOM 0 HD12 LEU B 22 10.671 -13.472 -1.374 1.00 0.00 H new ATOM 0 HD13 LEU B 22 12.245 -14.155 -1.847 1.00 0.00 H new ATOM 0 HD21 LEU B 22 11.931 -13.484 -4.842 1.00 0.00 H new ATOM 0 HD22 LEU B 22 12.519 -15.051 -4.239 1.00 0.00 H new ATOM 0 HD23 LEU B 22 11.117 -14.988 -5.333 1.00 0.00 H new ATOM 1299 N GLU B 23 9.252 -15.810 -6.080 1.00 0.00 N ATOM 1300 CA GLU B 23 8.817 -15.003 -7.216 1.00 0.00 C ATOM 1301 C GLU B 23 7.316 -14.732 -7.137 1.00 0.00 C ATOM 1302 O GLU B 23 6.838 -13.697 -7.607 1.00 0.00 O ATOM 1303 CB GLU B 23 9.147 -15.728 -8.523 1.00 0.00 C ATOM 1304 CG GLU B 23 8.673 -15.004 -9.772 1.00 0.00 C ATOM 1305 CD GLU B 23 9.307 -13.638 -9.936 1.00 0.00 C ATOM 1306 OE1 GLU B 23 10.554 -13.566 -9.999 1.00 0.00 O ATOM 1307 OE2 GLU B 23 8.559 -12.642 -10.008 1.00 0.00 O ATOM 0 H GLU B 23 9.941 -16.525 -6.312 1.00 0.00 H new ATOM 0 HA GLU B 23 9.344 -14.049 -7.189 1.00 0.00 H new ATOM 0 HB2 GLU B 23 10.226 -15.869 -8.585 1.00 0.00 H new ATOM 0 HB3 GLU B 23 8.697 -16.721 -8.499 1.00 0.00 H new ATOM 0 HG2 GLU B 23 8.901 -15.612 -10.647 1.00 0.00 H new ATOM 0 HG3 GLU B 23 7.589 -14.894 -9.733 1.00 0.00 H new ATOM 1314 N THR B 24 6.587 -15.655 -6.514 1.00 0.00 N ATOM 1315 CA THR B 24 5.149 -15.509 -6.341 1.00 0.00 C ATOM 1316 C THR B 24 4.817 -14.153 -5.730 1.00 0.00 C ATOM 1317 O THR B 24 3.887 -13.478 -6.172 1.00 0.00 O ATOM 1318 CB THR B 24 4.570 -16.624 -5.452 1.00 0.00 C ATOM 1319 OG1 THR B 24 4.759 -17.896 -6.083 1.00 0.00 O ATOM 1320 CG2 THR B 24 3.090 -16.395 -5.188 1.00 0.00 C ATOM 0 H THR B 24 6.973 -16.513 -6.121 1.00 0.00 H new ATOM 0 HA THR B 24 4.696 -15.584 -7.330 1.00 0.00 H new ATOM 0 HB THR B 24 5.096 -16.609 -4.497 1.00 0.00 H new ATOM 0 HG1 THR B 24 3.888 -18.319 -6.234 1.00 0.00 H new ATOM 0 HG21 THR B 24 2.705 -17.196 -4.558 1.00 0.00 H new ATOM 0 HG22 THR B 24 2.954 -15.439 -4.683 1.00 0.00 H new ATOM 0 HG23 THR B 24 2.549 -16.385 -6.134 1.00 0.00 H new ATOM 1328 N LEU B 25 5.588 -13.745 -4.724 1.00 0.00 N ATOM 1329 CA LEU B 25 5.364 -12.456 -4.095 1.00 0.00 C ATOM 1330 C LEU B 25 5.633 -11.337 -5.088 1.00 0.00 C ATOM 1331 O LEU B 25 4.858 -10.400 -5.202 1.00 0.00 O ATOM 1332 CB LEU B 25 6.205 -12.273 -2.820 1.00 0.00 C ATOM 1333 CG LEU B 25 7.656 -12.774 -2.848 1.00 0.00 C ATOM 1334 CD1 LEU B 25 8.507 -11.995 -3.837 1.00 0.00 C ATOM 1335 CD2 LEU B 25 8.263 -12.678 -1.460 1.00 0.00 C ATOM 0 H LEU B 25 6.362 -14.284 -4.335 1.00 0.00 H new ATOM 0 HA LEU B 25 4.319 -12.417 -3.788 1.00 0.00 H new ATOM 0 HB2 LEU B 25 6.221 -11.210 -2.578 1.00 0.00 H new ATOM 0 HB3 LEU B 25 5.691 -12.779 -2.003 1.00 0.00 H new ATOM 0 HG LEU B 25 7.639 -13.814 -3.173 1.00 0.00 H new ATOM 0 HD11 LEU B 25 9.526 -12.382 -3.824 1.00 0.00 H new ATOM 0 HD12 LEU B 25 8.090 -12.102 -4.839 1.00 0.00 H new ATOM 0 HD13 LEU B 25 8.516 -10.941 -3.558 1.00 0.00 H new ATOM 0 HD21 LEU B 25 9.292 -13.035 -1.488 1.00 0.00 H new ATOM 0 HD22 LEU B 25 8.248 -11.640 -1.127 1.00 0.00 H new ATOM 0 HD23 LEU B 25 7.685 -13.290 -0.767 1.00 0.00 H new ATOM 1347 N GLU B 26 6.710 -11.446 -5.842 1.00 0.00 N ATOM 1348 CA GLU B 26 7.001 -10.430 -6.828 1.00 0.00 C ATOM 1349 C GLU B 26 5.812 -10.309 -7.767 1.00 0.00 C ATOM 1350 O GLU B 26 5.581 -9.265 -8.374 1.00 0.00 O ATOM 1351 CB GLU B 26 8.291 -10.751 -7.585 1.00 0.00 C ATOM 1352 CG GLU B 26 8.549 -9.837 -8.774 1.00 0.00 C ATOM 1353 CD GLU B 26 9.869 -10.128 -9.462 1.00 0.00 C ATOM 1354 OE1 GLU B 26 10.592 -11.037 -9.004 1.00 0.00 O ATOM 1355 OE2 GLU B 26 10.181 -9.442 -10.458 1.00 0.00 O ATOM 0 H GLU B 26 7.383 -12.211 -5.792 1.00 0.00 H new ATOM 0 HA GLU B 26 7.162 -9.472 -6.333 1.00 0.00 H new ATOM 0 HB2 GLU B 26 9.133 -10.681 -6.896 1.00 0.00 H new ATOM 0 HB3 GLU B 26 8.249 -11.783 -7.934 1.00 0.00 H new ATOM 0 HG2 GLU B 26 7.737 -9.946 -9.493 1.00 0.00 H new ATOM 0 HG3 GLU B 26 8.540 -8.800 -8.438 1.00 0.00 H new ATOM 1362 N GLU B 27 5.037 -11.391 -7.853 1.00 0.00 N ATOM 1363 CA GLU B 27 3.846 -11.410 -8.693 1.00 0.00 C ATOM 1364 C GLU B 27 2.656 -10.793 -7.963 1.00 0.00 C ATOM 1365 O GLU B 27 2.002 -9.892 -8.479 1.00 0.00 O ATOM 1366 CB GLU B 27 3.495 -12.844 -9.099 1.00 0.00 C ATOM 1367 CG GLU B 27 4.679 -13.641 -9.612 1.00 0.00 C ATOM 1368 CD GLU B 27 4.281 -15.009 -10.128 1.00 0.00 C ATOM 1369 OE1 GLU B 27 3.470 -15.072 -11.076 1.00 0.00 O ATOM 1370 OE2 GLU B 27 4.782 -16.017 -9.587 1.00 0.00 O ATOM 0 H GLU B 27 5.215 -12.261 -7.352 1.00 0.00 H new ATOM 0 HA GLU B 27 4.063 -10.823 -9.585 1.00 0.00 H new ATOM 0 HB2 GLU B 27 3.066 -13.360 -8.240 1.00 0.00 H new ATOM 0 HB3 GLU B 27 2.726 -12.815 -9.871 1.00 0.00 H new ATOM 0 HG2 GLU B 27 5.169 -13.084 -10.411 1.00 0.00 H new ATOM 0 HG3 GLU B 27 5.409 -13.757 -8.811 1.00 0.00 H new ATOM 1377 N MET B 28 2.373 -11.309 -6.769 1.00 0.00 N ATOM 1378 CA MET B 28 1.247 -10.834 -5.964 1.00 0.00 C ATOM 1379 C MET B 28 1.636 -9.678 -5.041 1.00 0.00 C ATOM 1380 O MET B 28 0.910 -8.693 -4.927 1.00 0.00 O ATOM 1381 CB MET B 28 0.675 -11.983 -5.131 1.00 0.00 C ATOM 1382 CG MET B 28 0.212 -13.184 -5.949 1.00 0.00 C ATOM 1383 SD MET B 28 -1.258 -12.855 -6.947 1.00 0.00 S ATOM 1384 CE MET B 28 -0.569 -11.922 -8.312 1.00 0.00 C ATOM 0 H MET B 28 2.910 -12.060 -6.335 1.00 0.00 H new ATOM 0 HA MET B 28 0.493 -10.463 -6.658 1.00 0.00 H new ATOM 0 HB2 MET B 28 1.433 -12.313 -4.421 1.00 0.00 H new ATOM 0 HB3 MET B 28 -0.167 -11.609 -4.548 1.00 0.00 H new ATOM 0 HG2 MET B 28 1.023 -13.501 -6.605 1.00 0.00 H new ATOM 0 HG3 MET B 28 0.005 -14.015 -5.274 1.00 0.00 H new ATOM 0 HE1 MET B 28 -1.117 -12.154 -9.225 1.00 0.00 H new ATOM 0 HE2 MET B 28 -0.650 -10.856 -8.101 1.00 0.00 H new ATOM 0 HE3 MET B 28 0.480 -12.187 -8.441 1.00 0.00 H new ATOM 1394 N LEU B 29 2.774 -9.822 -4.371 1.00 0.00 N ATOM 1395 CA LEU B 29 3.266 -8.807 -3.432 1.00 0.00 C ATOM 1396 C LEU B 29 3.460 -7.461 -4.131 1.00 0.00 C ATOM 1397 O LEU B 29 3.105 -6.414 -3.590 1.00 0.00 O ATOM 1398 CB LEU B 29 4.583 -9.288 -2.797 1.00 0.00 C ATOM 1399 CG LEU B 29 5.150 -8.431 -1.667 1.00 0.00 C ATOM 1400 CD1 LEU B 29 4.127 -8.230 -0.568 1.00 0.00 C ATOM 1401 CD2 LEU B 29 6.398 -9.089 -1.101 1.00 0.00 C ATOM 0 H LEU B 29 3.381 -10.637 -4.459 1.00 0.00 H new ATOM 0 HA LEU B 29 2.523 -8.665 -2.647 1.00 0.00 H new ATOM 0 HB2 LEU B 29 4.428 -10.297 -2.415 1.00 0.00 H new ATOM 0 HB3 LEU B 29 5.335 -9.357 -3.583 1.00 0.00 H new ATOM 0 HG LEU B 29 5.406 -7.453 -2.074 1.00 0.00 H new ATOM 0 HD11 LEU B 29 4.558 -7.616 0.223 1.00 0.00 H new ATOM 0 HD12 LEU B 29 3.248 -7.731 -0.976 1.00 0.00 H new ATOM 0 HD13 LEU B 29 3.837 -9.198 -0.159 1.00 0.00 H new ATOM 0 HD21 LEU B 29 6.800 -8.475 -0.295 1.00 0.00 H new ATOM 0 HD22 LEU B 29 6.145 -10.076 -0.713 1.00 0.00 H new ATOM 0 HD23 LEU B 29 7.145 -9.189 -1.888 1.00 0.00 H new ATOM 1413 N GLU B 30 4.011 -7.496 -5.339 1.00 0.00 N ATOM 1414 CA GLU B 30 4.238 -6.278 -6.115 1.00 0.00 C ATOM 1415 C GLU B 30 2.921 -5.572 -6.423 1.00 0.00 C ATOM 1416 O GLU B 30 2.867 -4.347 -6.531 1.00 0.00 O ATOM 1417 CB GLU B 30 4.963 -6.601 -7.423 1.00 0.00 C ATOM 1418 CG GLU B 30 5.137 -5.398 -8.339 1.00 0.00 C ATOM 1419 CD GLU B 30 5.860 -5.743 -9.627 1.00 0.00 C ATOM 1420 OE1 GLU B 30 6.227 -6.924 -9.805 1.00 0.00 O ATOM 1421 OE2 GLU B 30 6.060 -4.830 -10.456 1.00 0.00 O ATOM 0 H GLU B 30 4.309 -8.353 -5.804 1.00 0.00 H new ATOM 0 HA GLU B 30 4.860 -5.614 -5.514 1.00 0.00 H new ATOM 0 HB2 GLU B 30 5.944 -7.015 -7.192 1.00 0.00 H new ATOM 0 HB3 GLU B 30 4.408 -7.374 -7.954 1.00 0.00 H new ATOM 0 HG2 GLU B 30 4.158 -4.983 -8.577 1.00 0.00 H new ATOM 0 HG3 GLU B 30 5.692 -4.622 -7.812 1.00 0.00 H new ATOM 1428 N LYS B 31 1.864 -6.356 -6.570 1.00 0.00 N ATOM 1429 CA LYS B 31 0.547 -5.810 -6.868 1.00 0.00 C ATOM 1430 C LYS B 31 -0.160 -5.457 -5.579 1.00 0.00 C ATOM 1431 O LYS B 31 -0.988 -4.550 -5.528 1.00 0.00 O ATOM 1432 CB LYS B 31 -0.268 -6.814 -7.669 1.00 0.00 C ATOM 1433 CG LYS B 31 0.558 -7.512 -8.729 1.00 0.00 C ATOM 1434 CD LYS B 31 1.185 -6.524 -9.702 1.00 0.00 C ATOM 1435 CE LYS B 31 2.114 -7.223 -10.681 1.00 0.00 C ATOM 1436 NZ LYS B 31 1.400 -8.248 -11.491 1.00 0.00 N ATOM 0 H LYS B 31 1.891 -7.372 -6.488 1.00 0.00 H new ATOM 0 HA LYS B 31 0.659 -4.906 -7.467 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -0.690 -7.558 -6.993 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -1.106 -6.302 -8.143 1.00 0.00 H new ATOM 0 HG2 LYS B 31 1.343 -8.098 -8.250 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -0.072 -8.212 -9.278 1.00 0.00 H new ATOM 0 HD2 LYS B 31 0.400 -6.004 -10.251 1.00 0.00 H new ATOM 0 HD3 LYS B 31 1.741 -5.768 -9.147 1.00 0.00 H new ATOM 0 HE2 LYS B 31 2.563 -6.485 -11.345 1.00 0.00 H new ATOM 0 HE3 LYS B 31 2.929 -7.697 -10.133 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 2.021 -8.580 -12.256 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 1.140 -9.051 -10.883 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 0.540 -7.830 -11.900 1.00 0.00 H new ATOM 1450 N LEU B 32 0.191 -6.191 -4.539 1.00 0.00 N ATOM 1451 CA LEU B 32 -0.377 -5.980 -3.229 1.00 0.00 C ATOM 1452 C LEU B 32 0.069 -4.635 -2.682 1.00 0.00 C ATOM 1453 O LEU B 32 -0.608 -4.030 -1.851 1.00 0.00 O ATOM 1454 CB LEU B 32 0.025 -7.107 -2.298 1.00 0.00 C ATOM 1455 CG LEU B 32 -0.628 -7.043 -0.919 1.00 0.00 C ATOM 1456 CD1 LEU B 32 -2.142 -7.040 -1.049 1.00 0.00 C ATOM 1457 CD2 LEU B 32 -0.171 -8.205 -0.066 1.00 0.00 C ATOM 0 H LEU B 32 0.875 -6.946 -4.583 1.00 0.00 H new ATOM 0 HA LEU B 32 -1.464 -5.975 -3.305 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -0.231 -8.058 -2.765 1.00 0.00 H new ATOM 0 HB3 LEU B 32 1.108 -7.093 -2.176 1.00 0.00 H new ATOM 0 HG LEU B 32 -0.323 -6.117 -0.433 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -2.592 -6.994 -0.057 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -2.456 -6.173 -1.630 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -2.466 -7.951 -1.553 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -0.645 -8.146 0.914 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -0.450 -9.142 -0.548 1.00 0.00 H new ATOM 0 HD23 LEU B 32 0.912 -8.166 0.052 1.00 0.00 H new ATOM 1469 N GLU B 33 1.206 -4.154 -3.172 1.00 0.00 N ATOM 1470 CA GLU B 33 1.711 -2.858 -2.741 1.00 0.00 C ATOM 1471 C GLU B 33 1.073 -1.757 -3.568 1.00 0.00 C ATOM 1472 O GLU B 33 0.700 -0.713 -3.038 1.00 0.00 O ATOM 1473 CB GLU B 33 3.233 -2.774 -2.836 1.00 0.00 C ATOM 1474 CG GLU B 33 3.778 -2.954 -4.243 1.00 0.00 C ATOM 1475 CD GLU B 33 5.114 -2.264 -4.450 1.00 0.00 C ATOM 1476 OE1 GLU B 33 6.067 -2.570 -3.704 1.00 0.00 O ATOM 1477 OE2 GLU B 33 5.206 -1.415 -5.361 1.00 0.00 O ATOM 0 H GLU B 33 1.788 -4.635 -3.858 1.00 0.00 H new ATOM 0 HA GLU B 33 1.445 -2.731 -1.692 1.00 0.00 H new ATOM 0 HB2 GLU B 33 3.557 -1.806 -2.453 1.00 0.00 H new ATOM 0 HB3 GLU B 33 3.669 -3.535 -2.189 1.00 0.00 H new ATOM 0 HG2 GLU B 33 3.888 -4.018 -4.452 1.00 0.00 H new ATOM 0 HG3 GLU B 33 3.057 -2.562 -4.960 1.00 0.00 H new ATOM 1484 N VAL B 34 0.938 -1.999 -4.873 1.00 0.00 N ATOM 1485 CA VAL B 34 0.329 -1.022 -5.761 1.00 0.00 C ATOM 1486 C VAL B 34 -1.158 -0.889 -5.461 1.00 0.00 C ATOM 1487 O VAL B 34 -1.724 0.204 -5.543 1.00 0.00 O ATOM 1488 CB VAL B 34 0.526 -1.369 -7.251 1.00 0.00 C ATOM 1489 CG1 VAL B 34 2.006 -1.504 -7.578 1.00 0.00 C ATOM 1490 CG2 VAL B 34 -0.230 -2.634 -7.624 1.00 0.00 C ATOM 0 H VAL B 34 1.241 -2.858 -5.331 1.00 0.00 H new ATOM 0 HA VAL B 34 0.833 -0.073 -5.576 1.00 0.00 H new ATOM 0 HB VAL B 34 0.118 -0.551 -7.845 1.00 0.00 H new ATOM 0 HG11 VAL B 34 2.125 -1.749 -8.633 1.00 0.00 H new ATOM 0 HG12 VAL B 34 2.513 -0.563 -7.365 1.00 0.00 H new ATOM 0 HG13 VAL B 34 2.442 -2.297 -6.970 1.00 0.00 H new ATOM 0 HG21 VAL B 34 -0.073 -2.854 -8.680 1.00 0.00 H new ATOM 0 HG22 VAL B 34 0.134 -3.466 -7.022 1.00 0.00 H new ATOM 0 HG23 VAL B 34 -1.294 -2.490 -7.438 1.00 0.00 H new ATOM 1500 N VAL B 35 -1.788 -2.007 -5.093 1.00 0.00 N ATOM 1501 CA VAL B 35 -3.205 -1.995 -4.759 1.00 0.00 C ATOM 1502 C VAL B 35 -3.436 -1.050 -3.595 1.00 0.00 C ATOM 1503 O VAL B 35 -4.283 -0.161 -3.664 1.00 0.00 O ATOM 1504 CB VAL B 35 -3.746 -3.401 -4.403 1.00 0.00 C ATOM 1505 CG1 VAL B 35 -2.969 -4.014 -3.255 1.00 0.00 C ATOM 1506 CG2 VAL B 35 -5.221 -3.337 -4.051 1.00 0.00 C ATOM 0 H VAL B 35 -1.341 -2.921 -5.021 1.00 0.00 H new ATOM 0 HA VAL B 35 -3.747 -1.657 -5.642 1.00 0.00 H new ATOM 0 HB VAL B 35 -3.619 -4.033 -5.282 1.00 0.00 H new ATOM 0 HG11 VAL B 35 -3.373 -5.001 -3.028 1.00 0.00 H new ATOM 0 HG12 VAL B 35 -1.919 -4.107 -3.534 1.00 0.00 H new ATOM 0 HG13 VAL B 35 -3.055 -3.376 -2.375 1.00 0.00 H new ATOM 0 HG21 VAL B 35 -5.580 -4.336 -3.804 1.00 0.00 H new ATOM 0 HG22 VAL B 35 -5.362 -2.679 -3.194 1.00 0.00 H new ATOM 0 HG23 VAL B 35 -5.782 -2.950 -4.902 1.00 0.00 H new ATOM 1516 N VAL B 36 -2.649 -1.220 -2.537 1.00 0.00 N ATOM 1517 CA VAL B 36 -2.752 -0.351 -1.382 1.00 0.00 C ATOM 1518 C VAL B 36 -2.051 0.959 -1.658 1.00 0.00 C ATOM 1519 O VAL B 36 -2.309 1.937 -0.993 1.00 0.00 O ATOM 1520 CB VAL B 36 -2.184 -0.968 -0.092 1.00 0.00 C ATOM 1521 CG1 VAL B 36 -0.689 -1.220 -0.203 1.00 0.00 C ATOM 1522 CG2 VAL B 36 -2.516 -0.083 1.102 1.00 0.00 C ATOM 0 H VAL B 36 -1.939 -1.948 -2.461 1.00 0.00 H new ATOM 0 HA VAL B 36 -3.818 -0.193 -1.215 1.00 0.00 H new ATOM 0 HB VAL B 36 -2.655 -1.939 0.060 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -0.323 -1.656 0.727 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -0.496 -1.907 -1.027 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -0.174 -0.278 -0.389 1.00 0.00 H new ATOM 0 HG21 VAL B 36 -2.109 -0.529 2.010 1.00 0.00 H new ATOM 0 HG22 VAL B 36 -2.079 0.905 0.956 1.00 0.00 H new ATOM 0 HG23 VAL B 36 -3.598 0.010 1.197 1.00 0.00 H new ATOM 1532 N ASN B 37 -1.161 0.965 -2.646 1.00 0.00 N ATOM 1533 CA ASN B 37 -0.432 2.177 -3.010 1.00 0.00 C ATOM 1534 C ASN B 37 -1.412 3.268 -3.388 1.00 0.00 C ATOM 1535 O ASN B 37 -1.367 4.378 -2.857 1.00 0.00 O ATOM 1536 CB ASN B 37 0.502 1.898 -4.186 1.00 0.00 C ATOM 1537 CG ASN B 37 1.259 3.127 -4.645 1.00 0.00 C ATOM 1538 OD1 ASN B 37 1.961 3.767 -3.864 1.00 0.00 O ATOM 1539 ND2 ASN B 37 1.121 3.454 -5.924 1.00 0.00 N ATOM 0 H ASN B 37 -0.927 0.147 -3.208 1.00 0.00 H new ATOM 0 HA ASN B 37 0.162 2.501 -2.155 1.00 0.00 H new ATOM 0 HB2 ASN B 37 1.215 1.124 -3.901 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -0.080 1.504 -5.019 1.00 0.00 H new ATOM 0 HD21 ASN B 37 1.609 4.268 -6.298 1.00 0.00 H new ATOM 0 HD22 ASN B 37 0.527 2.891 -6.533 1.00 0.00 H new ATOM 1546 N GLU B 38 -2.315 2.928 -4.296 1.00 0.00 N ATOM 1547 CA GLU B 38 -3.337 3.867 -4.735 1.00 0.00 C ATOM 1548 C GLU B 38 -4.180 4.283 -3.538 1.00 0.00 C ATOM 1549 O GLU B 38 -4.501 5.457 -3.359 1.00 0.00 O ATOM 1550 CB GLU B 38 -4.222 3.237 -5.810 1.00 0.00 C ATOM 1551 CG GLU B 38 -3.460 2.809 -7.053 1.00 0.00 C ATOM 1552 CD GLU B 38 -4.356 2.179 -8.099 1.00 0.00 C ATOM 1553 OE1 GLU B 38 -5.292 2.861 -8.569 1.00 0.00 O ATOM 1554 OE2 GLU B 38 -4.123 1.003 -8.451 1.00 0.00 O ATOM 0 H GLU B 38 -2.361 2.012 -4.742 1.00 0.00 H new ATOM 0 HA GLU B 38 -2.855 4.745 -5.166 1.00 0.00 H new ATOM 0 HB2 GLU B 38 -4.729 2.369 -5.388 1.00 0.00 H new ATOM 0 HB3 GLU B 38 -4.995 3.950 -6.096 1.00 0.00 H new ATOM 0 HG2 GLU B 38 -2.959 3.676 -7.484 1.00 0.00 H new ATOM 0 HG3 GLU B 38 -2.682 2.099 -6.771 1.00 0.00 H new ATOM 1561 N ARG B 39 -4.510 3.298 -2.709 1.00 0.00 N ATOM 1562 CA ARG B 39 -5.293 3.528 -1.502 1.00 0.00 C ATOM 1563 C ARG B 39 -4.452 4.232 -0.444 1.00 0.00 C ATOM 1564 O ARG B 39 -4.968 4.947 0.400 1.00 0.00 O ATOM 1565 CB ARG B 39 -5.777 2.202 -0.911 1.00 0.00 C ATOM 1566 CG ARG B 39 -6.915 1.513 -1.644 1.00 0.00 C ATOM 1567 CD ARG B 39 -6.639 1.354 -3.124 1.00 0.00 C ATOM 1568 NE ARG B 39 -6.960 2.562 -3.879 1.00 0.00 N ATOM 1569 CZ ARG B 39 -8.179 3.094 -3.933 1.00 0.00 C ATOM 1570 NH1 ARG B 39 -9.180 2.535 -3.265 1.00 0.00 N ATOM 1571 NH2 ARG B 39 -8.395 4.191 -4.643 1.00 0.00 N ATOM 0 H ARG B 39 -4.244 2.324 -2.854 1.00 0.00 H new ATOM 0 HA ARG B 39 -6.145 4.148 -1.780 1.00 0.00 H new ATOM 0 HB2 ARG B 39 -4.931 1.516 -0.872 1.00 0.00 H new ATOM 0 HB3 ARG B 39 -6.091 2.380 0.117 1.00 0.00 H new ATOM 0 HG2 ARG B 39 -7.086 0.531 -1.202 1.00 0.00 H new ATOM 0 HG3 ARG B 39 -7.831 2.088 -1.508 1.00 0.00 H new ATOM 0 HD2 ARG B 39 -5.588 1.105 -3.271 1.00 0.00 H new ATOM 0 HD3 ARG B 39 -7.222 0.519 -3.513 1.00 0.00 H new ATOM 0 HE ARG B 39 -6.209 3.023 -4.393 1.00 0.00 H new ATOM 0 HH11 ARG B 39 -9.016 1.696 -2.709 1.00 0.00 H new ATOM 0 HH12 ARG B 39 -10.113 2.944 -3.308 1.00 0.00 H new ATOM 0 HH21 ARG B 39 -7.626 4.630 -5.150 1.00 0.00 H new ATOM 0 HH22 ARG B 39 -9.330 4.597 -4.683 1.00 0.00 H new ATOM 1585 N ARG B 40 -3.154 3.985 -0.488 1.00 0.00 N ATOM 1586 CA ARG B 40 -2.212 4.550 0.475 1.00 0.00 C ATOM 1587 C ARG B 40 -2.103 6.060 0.317 1.00 0.00 C ATOM 1588 O ARG B 40 -2.046 6.795 1.303 1.00 0.00 O ATOM 1589 CB ARG B 40 -0.833 3.877 0.322 1.00 0.00 C ATOM 1590 CG ARG B 40 -0.530 2.814 1.375 1.00 0.00 C ATOM 1591 CD ARG B 40 -0.773 3.337 2.783 1.00 0.00 C ATOM 1592 NE ARG B 40 -0.045 4.575 3.044 1.00 0.00 N ATOM 1593 CZ ARG B 40 -0.119 5.247 4.189 1.00 0.00 C ATOM 1594 NH1 ARG B 40 -0.887 4.802 5.175 1.00 0.00 N ATOM 1595 NH2 ARG B 40 0.574 6.365 4.349 1.00 0.00 N ATOM 0 H ARG B 40 -2.719 3.387 -1.191 1.00 0.00 H new ATOM 0 HA ARG B 40 -2.586 4.353 1.480 1.00 0.00 H new ATOM 0 HB2 ARG B 40 -0.773 3.420 -0.666 1.00 0.00 H new ATOM 0 HB3 ARG B 40 -0.061 4.645 0.366 1.00 0.00 H new ATOM 0 HG2 ARG B 40 -1.154 1.938 1.199 1.00 0.00 H new ATOM 0 HG3 ARG B 40 0.507 2.491 1.280 1.00 0.00 H new ATOM 0 HD2 ARG B 40 -1.840 3.508 2.926 1.00 0.00 H new ATOM 0 HD3 ARG B 40 -0.471 2.580 3.507 1.00 0.00 H new ATOM 0 HE ARG B 40 0.554 4.945 2.306 1.00 0.00 H new ATOM 0 HH11 ARG B 40 -1.423 3.942 5.056 1.00 0.00 H new ATOM 0 HH12 ARG B 40 -0.942 5.320 6.052 1.00 0.00 H new ATOM 0 HH21 ARG B 40 1.165 6.711 3.593 1.00 0.00 H new ATOM 0 HH22 ARG B 40 0.516 6.879 5.228 1.00 0.00 H new ATOM 1609 N GLU B 41 -2.076 6.517 -0.928 1.00 0.00 N ATOM 1610 CA GLU B 41 -1.975 7.943 -1.217 1.00 0.00 C ATOM 1611 C GLU B 41 -3.324 8.651 -1.066 1.00 0.00 C ATOM 1612 O GLU B 41 -3.375 9.834 -0.732 1.00 0.00 O ATOM 1613 CB GLU B 41 -1.434 8.156 -2.632 1.00 0.00 C ATOM 1614 CG GLU B 41 -0.051 7.563 -2.852 1.00 0.00 C ATOM 1615 CD GLU B 41 0.464 7.787 -4.259 1.00 0.00 C ATOM 1616 OE1 GLU B 41 -0.192 7.319 -5.213 1.00 0.00 O ATOM 1617 OE2 GLU B 41 1.522 8.433 -4.408 1.00 0.00 O ATOM 0 H GLU B 41 -2.123 5.921 -1.755 1.00 0.00 H new ATOM 0 HA GLU B 41 -1.286 8.377 -0.492 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -2.127 7.714 -3.347 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -1.399 9.225 -2.841 1.00 0.00 H new ATOM 0 HG2 GLU B 41 0.646 8.004 -2.140 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -0.082 6.493 -2.647 1.00 0.00 H new ATOM 1624 N GLU B 42 -4.411 7.929 -1.333 1.00 0.00 N ATOM 1625 CA GLU B 42 -5.753 8.505 -1.246 1.00 0.00 C ATOM 1626 C GLU B 42 -6.333 8.408 0.162 1.00 0.00 C ATOM 1627 O GLU B 42 -6.994 9.332 0.632 1.00 0.00 O ATOM 1628 CB GLU B 42 -6.686 7.820 -2.246 1.00 0.00 C ATOM 1629 CG GLU B 42 -6.260 7.999 -3.695 1.00 0.00 C ATOM 1630 CD GLU B 42 -7.197 7.312 -4.669 1.00 0.00 C ATOM 1631 OE1 GLU B 42 -8.399 7.655 -4.676 1.00 0.00 O ATOM 1632 OE2 GLU B 42 -6.729 6.437 -5.426 1.00 0.00 O ATOM 0 H GLU B 42 -4.390 6.948 -1.610 1.00 0.00 H new ATOM 0 HA GLU B 42 -5.668 9.564 -1.491 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -6.731 6.755 -2.018 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -7.694 8.216 -2.120 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -6.217 9.063 -3.928 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -5.253 7.603 -3.825 1.00 0.00 H new ATOM 1639 N GLU B 43 -6.092 7.285 0.829 1.00 0.00 N ATOM 1640 CA GLU B 43 -6.602 7.079 2.182 1.00 0.00 C ATOM 1641 C GLU B 43 -5.954 8.036 3.157 1.00 0.00 C ATOM 1642 O GLU B 43 -6.641 8.695 3.935 1.00 0.00 O ATOM 1643 CB GLU B 43 -6.386 5.642 2.636 1.00 0.00 C ATOM 1644 CG GLU B 43 -7.570 4.752 2.323 1.00 0.00 C ATOM 1645 CD GLU B 43 -8.829 5.208 3.036 1.00 0.00 C ATOM 1646 OE1 GLU B 43 -8.853 5.170 4.285 1.00 0.00 O ATOM 1647 OE2 GLU B 43 -9.785 5.620 2.351 1.00 0.00 O ATOM 0 H GLU B 43 -5.549 6.505 0.458 1.00 0.00 H new ATOM 0 HA GLU B 43 -7.674 7.277 2.163 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -5.496 5.241 2.151 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -6.198 5.628 3.710 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -7.745 4.746 1.247 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -7.340 3.727 2.614 1.00 0.00 H new ATOM 1654 N SER B 44 -4.635 8.136 3.092 1.00 0.00 N ATOM 1655 CA SER B 44 -3.914 9.051 3.956 1.00 0.00 C ATOM 1656 C SER B 44 -4.516 10.439 3.786 1.00 0.00 C ATOM 1657 O SER B 44 -4.550 11.249 4.713 1.00 0.00 O ATOM 1658 CB SER B 44 -2.427 9.052 3.602 1.00 0.00 C ATOM 1659 OG SER B 44 -1.829 7.807 3.919 1.00 0.00 O ATOM 0 H SER B 44 -4.048 7.598 2.454 1.00 0.00 H new ATOM 0 HA SER B 44 -4.003 8.739 4.997 1.00 0.00 H new ATOM 0 HB2 SER B 44 -2.303 9.259 2.539 1.00 0.00 H new ATOM 0 HB3 SER B 44 -1.921 9.851 4.144 1.00 0.00 H new ATOM 0 HG SER B 44 -1.779 7.253 3.112 1.00 0.00 H new ATOM 1665 N ALA B 45 -5.019 10.676 2.577 1.00 0.00 N ATOM 1666 CA ALA B 45 -5.665 11.929 2.226 1.00 0.00 C ATOM 1667 C ALA B 45 -7.056 12.007 2.854 1.00 0.00 C ATOM 1668 O ALA B 45 -7.436 13.032 3.424 1.00 0.00 O ATOM 1669 CB ALA B 45 -5.759 12.044 0.713 1.00 0.00 C ATOM 0 H ALA B 45 -4.988 10.000 1.814 1.00 0.00 H new ATOM 0 HA ALA B 45 -5.071 12.758 2.612 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -6.244 12.984 0.449 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -4.758 12.019 0.283 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -6.343 11.212 0.320 1.00 0.00 H new ATOM 1675 N ALA B 46 -7.807 10.910 2.745 1.00 0.00 N ATOM 1676 CA ALA B 46 -9.154 10.836 3.300 1.00 0.00 C ATOM 1677 C ALA B 46 -9.125 11.015 4.813 1.00 0.00 C ATOM 1678 O ALA B 46 -9.990 11.676 5.387 1.00 0.00 O ATOM 1679 CB ALA B 46 -9.803 9.506 2.935 1.00 0.00 C ATOM 0 H ALA B 46 -7.501 10.058 2.275 1.00 0.00 H new ATOM 0 HA ALA B 46 -9.747 11.644 2.872 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -10.808 9.464 3.355 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -9.859 9.414 1.850 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -9.207 8.687 3.338 1.00 0.00 H new