USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=18 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 5 LYS NZ :NH3+ 173:sc= 0.256 (180deg=-0.261) USER MOD Set 1.2: B 8 ASN : amide:sc= -1.97! C(o=-2!,f=-9.8!) USER MOD Set 1.3: B 24 THR OG1 : rot 140:sc= 0 USER MOD Set 1.4: B 28 MET CE :methyl 142:sc= -0.258 (180deg=-0.951) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.429 K(o=-0.43,f=-1.2) USER MOD Single : A 9 ASN :FLIP amide:sc= -1.82 F(o=-4.4!,f=-1.8) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN :FLIP amide:sc= -1.3 F(o=-4.1!,f=-1.3) USER MOD Single : A 20 SER OG : rot 180:sc= -0.354 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 169:sc= -0.021 (180deg=-0.183) USER MOD Single : A 37 ASN : amide:sc= -0.847 K(o=-0.85,f=-3.4!) USER MOD Single : A 44 SER OG : rot -111:sc= 1.26 USER MOD Single : B 9 ASN :FLIP amide:sc= -5.08! C(o=-6!,f=-5.1!) USER MOD Single : B 12 THR OG1 : rot 180:sc= -0.436 USER MOD Single : B 16 GLN :FLIP amide:sc= -0.743 F(o=-4.5!,f=-0.74) USER MOD Single : B 20 SER OG : rot -16:sc= -0.873 USER MOD Single : B 21 THR OG1 : rot 180:sc= 0 USER MOD Single : B 31 LYS NZ :NH3+ 169:sc= -0.0318 (180deg=-0.196) USER MOD Single : B 37 ASN : amide:sc= -2.6! C(o=-2.6!,f=-3.3!) USER MOD Single : B 44 SER OG : rot 100:sc= 0.631 USER MOD ----------------------------------------------------------------- ATOM 12 N GLU A 2 4.460 3.627 2.276 1.00 0.00 N ATOM 13 CA GLU A 2 4.364 2.571 3.276 1.00 0.00 C ATOM 14 C GLU A 2 4.154 1.218 2.612 1.00 0.00 C ATOM 15 O GLU A 2 4.672 0.204 3.070 1.00 0.00 O ATOM 16 CB GLU A 2 3.221 2.861 4.250 1.00 0.00 C ATOM 17 CG GLU A 2 3.065 1.814 5.343 1.00 0.00 C ATOM 18 CD GLU A 2 4.264 1.743 6.270 1.00 0.00 C ATOM 19 OE1 GLU A 2 5.209 2.542 6.089 1.00 0.00 O ATOM 20 OE2 GLU A 2 4.257 0.891 7.183 1.00 0.00 O ATOM 0 HA GLU A 2 5.301 2.542 3.832 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.388 3.834 4.713 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.288 2.930 3.691 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.173 2.037 5.928 1.00 0.00 H new ATOM 0 HG3 GLU A 2 2.909 0.838 4.884 1.00 0.00 H new ATOM 27 N ALA A 3 3.396 1.218 1.520 1.00 0.00 N ATOM 28 CA ALA A 3 3.113 -0.003 0.771 1.00 0.00 C ATOM 29 C ALA A 3 4.319 -0.391 -0.064 1.00 0.00 C ATOM 30 O ALA A 3 4.475 -1.532 -0.490 1.00 0.00 O ATOM 31 CB ALA A 3 1.900 0.196 -0.120 1.00 0.00 C ATOM 0 H ALA A 3 2.964 2.056 1.131 1.00 0.00 H new ATOM 0 HA ALA A 3 2.899 -0.806 1.476 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.700 -0.722 -0.673 1.00 0.00 H new ATOM 0 HB2 ALA A 3 1.035 0.446 0.494 1.00 0.00 H new ATOM 0 HB3 ALA A 3 2.093 1.007 -0.822 1.00 0.00 H new ATOM 37 N LEU A 4 5.151 0.593 -0.297 1.00 0.00 N ATOM 38 CA LEU A 4 6.353 0.440 -1.078 1.00 0.00 C ATOM 39 C LEU A 4 7.494 -0.054 -0.195 1.00 0.00 C ATOM 40 O LEU A 4 8.251 -0.950 -0.567 1.00 0.00 O ATOM 41 CB LEU A 4 6.690 1.797 -1.689 1.00 0.00 C ATOM 42 CG LEU A 4 5.652 2.366 -2.676 1.00 0.00 C ATOM 43 CD1 LEU A 4 4.222 2.166 -2.186 1.00 0.00 C ATOM 44 CD2 LEU A 4 5.913 3.839 -2.903 1.00 0.00 C ATOM 0 H LEU A 4 5.010 1.539 0.057 1.00 0.00 H new ATOM 0 HA LEU A 4 6.205 -0.296 -1.868 1.00 0.00 H new ATOM 0 HB2 LEU A 4 6.825 2.515 -0.880 1.00 0.00 H new ATOM 0 HB3 LEU A 4 7.647 1.714 -2.205 1.00 0.00 H new ATOM 0 HG LEU A 4 5.758 1.820 -3.613 1.00 0.00 H new ATOM 0 HD11 LEU A 4 3.526 2.583 -2.914 1.00 0.00 H new ATOM 0 HD12 LEU A 4 4.025 1.101 -2.064 1.00 0.00 H new ATOM 0 HD13 LEU A 4 4.091 2.671 -1.229 1.00 0.00 H new ATOM 0 HD21 LEU A 4 5.176 4.236 -3.602 1.00 0.00 H new ATOM 0 HD22 LEU A 4 5.838 4.372 -1.955 1.00 0.00 H new ATOM 0 HD23 LEU A 4 6.913 3.972 -3.316 1.00 0.00 H new ATOM 56 N LYS A 5 7.600 0.553 0.979 1.00 0.00 N ATOM 57 CA LYS A 5 8.631 0.219 1.951 1.00 0.00 C ATOM 58 C LYS A 5 8.235 -1.004 2.780 1.00 0.00 C ATOM 59 O LYS A 5 9.099 -1.702 3.310 1.00 0.00 O ATOM 60 CB LYS A 5 8.898 1.433 2.854 1.00 0.00 C ATOM 61 CG LYS A 5 10.031 1.243 3.854 1.00 0.00 C ATOM 62 CD LYS A 5 9.580 0.454 5.072 1.00 0.00 C ATOM 63 CE LYS A 5 10.718 0.256 6.060 1.00 0.00 C ATOM 64 NZ LYS A 5 10.287 -0.525 7.253 1.00 0.00 N ATOM 0 H LYS A 5 6.970 1.295 1.285 1.00 0.00 H new ATOM 0 HA LYS A 5 9.547 -0.035 1.418 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.127 2.294 2.225 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.985 1.671 3.400 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.859 0.725 3.371 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.405 2.217 4.169 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.758 0.977 5.562 1.00 0.00 H new ATOM 0 HD3 LYS A 5 9.197 -0.517 4.757 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.542 -0.260 5.567 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.095 1.228 6.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.091 -0.638 7.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.518 -0.021 7.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.951 -1.462 6.952 1.00 0.00 H new ATOM 78 N ILE A 6 6.934 -1.271 2.882 1.00 0.00 N ATOM 79 CA ILE A 6 6.455 -2.412 3.642 1.00 0.00 C ATOM 80 C ILE A 6 7.161 -3.661 3.166 1.00 0.00 C ATOM 81 O ILE A 6 7.814 -4.368 3.933 1.00 0.00 O ATOM 82 CB ILE A 6 4.937 -2.616 3.456 1.00 0.00 C ATOM 83 CG1 ILE A 6 4.506 -3.921 4.103 1.00 0.00 C ATOM 84 CG2 ILE A 6 4.574 -2.626 1.987 1.00 0.00 C ATOM 85 CD1 ILE A 6 3.052 -4.248 3.881 1.00 0.00 C ATOM 0 H ILE A 6 6.199 -0.712 2.448 1.00 0.00 H new ATOM 0 HA ILE A 6 6.660 -2.222 4.695 1.00 0.00 H new ATOM 0 HB ILE A 6 4.417 -1.787 3.936 1.00 0.00 H new ATOM 0 HG12 ILE A 6 5.117 -4.733 3.709 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.699 -3.868 5.174 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.499 -2.771 1.879 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.859 -1.676 1.535 1.00 0.00 H new ATOM 0 HG23 ILE A 6 5.102 -3.438 1.487 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.813 -5.192 4.370 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.433 -3.455 4.300 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.857 -4.333 2.812 1.00 0.00 H new ATOM 97 N LEU A 7 7.032 -3.895 1.879 1.00 0.00 N ATOM 98 CA LEU A 7 7.649 -5.020 1.237 1.00 0.00 C ATOM 99 C LEU A 7 9.006 -4.589 0.702 1.00 0.00 C ATOM 100 O LEU A 7 9.795 -5.407 0.226 1.00 0.00 O ATOM 101 CB LEU A 7 6.737 -5.527 0.111 1.00 0.00 C ATOM 102 CG LEU A 7 7.207 -5.240 -1.318 1.00 0.00 C ATOM 103 CD1 LEU A 7 8.085 -6.369 -1.830 1.00 0.00 C ATOM 104 CD2 LEU A 7 6.017 -5.030 -2.237 1.00 0.00 C ATOM 0 H LEU A 7 6.491 -3.302 1.249 1.00 0.00 H new ATOM 0 HA LEU A 7 7.795 -5.837 1.944 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.620 -6.605 0.224 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.750 -5.084 0.243 1.00 0.00 H new ATOM 0 HG LEU A 7 7.799 -4.325 -1.307 1.00 0.00 H new ATOM 0 HD11 LEU A 7 8.408 -6.146 -2.847 1.00 0.00 H new ATOM 0 HD12 LEU A 7 8.958 -6.472 -1.186 1.00 0.00 H new ATOM 0 HD13 LEU A 7 7.519 -7.301 -1.825 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.370 -4.827 -3.248 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.398 -5.927 -2.242 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.428 -4.185 -1.882 1.00 0.00 H new ATOM 116 N ASN A 8 9.264 -3.281 0.785 1.00 0.00 N ATOM 117 CA ASN A 8 10.516 -2.716 0.297 1.00 0.00 C ATOM 118 C ASN A 8 10.667 -2.992 -1.194 1.00 0.00 C ATOM 119 O ASN A 8 11.778 -3.147 -1.701 1.00 0.00 O ATOM 120 CB ASN A 8 11.706 -3.305 1.062 1.00 0.00 C ATOM 121 CG ASN A 8 11.661 -2.984 2.542 1.00 0.00 C ATOM 122 OD1 ASN A 8 11.700 -1.819 2.939 1.00 0.00 O ATOM 123 ND2 ASN A 8 11.577 -4.020 3.370 1.00 0.00 N ATOM 0 H ASN A 8 8.621 -2.598 1.186 1.00 0.00 H new ATOM 0 HA ASN A 8 10.497 -1.638 0.460 1.00 0.00 H new ATOM 0 HB2 ASN A 8 11.720 -4.387 0.928 1.00 0.00 H new ATOM 0 HB3 ASN A 8 12.633 -2.919 0.638 1.00 0.00 H new ATOM 0 HD21 ASN A 8 11.542 -3.866 4.378 1.00 0.00 H new ATOM 0 HD22 ASN A 8 11.547 -4.969 2.998 1.00 0.00 H new ATOM 130 N ASN A 9 9.530 -3.050 -1.888 1.00 0.00 N ATOM 131 CA ASN A 9 9.501 -3.308 -3.325 1.00 0.00 C ATOM 132 C ASN A 9 10.078 -4.688 -3.652 1.00 0.00 C ATOM 133 O ASN A 9 11.158 -5.050 -3.183 1.00 0.00 O ATOM 134 CB ASN A 9 10.271 -2.220 -4.080 1.00 0.00 C ATOM 135 CG ASN A 9 9.679 -0.828 -3.908 1.00 0.00 C ATOM 136 OD1 ASN A 9 8.606 -0.708 -3.127 1.00 0.00 O flip ATOM 137 ND2 ASN A 9 10.189 0.138 -4.473 1.00 0.00 N flip ATOM 0 H ASN A 9 8.608 -2.920 -1.471 1.00 0.00 H new ATOM 0 HA ASN A 9 8.460 -3.291 -3.646 1.00 0.00 H new ATOM 0 HB2 ASN A 9 11.305 -2.212 -3.735 1.00 0.00 H new ATOM 0 HB3 ASN A 9 10.291 -2.469 -5.141 1.00 0.00 H new ATOM 0 HD21 ASN A 9 11.010 0.008 -5.064 1.00 0.00 H new ATOM 0 HD22 ASN A 9 9.791 1.069 -4.351 1.00 0.00 H new ATOM 144 N ILE A 10 9.343 -5.454 -4.459 1.00 0.00 N ATOM 145 CA ILE A 10 9.769 -6.798 -4.854 1.00 0.00 C ATOM 146 C ILE A 10 11.190 -6.800 -5.405 1.00 0.00 C ATOM 147 O ILE A 10 11.882 -7.811 -5.340 1.00 0.00 O ATOM 148 CB ILE A 10 8.820 -7.418 -5.899 1.00 0.00 C ATOM 149 CG1 ILE A 10 8.803 -6.596 -7.196 1.00 0.00 C ATOM 150 CG2 ILE A 10 7.419 -7.546 -5.317 1.00 0.00 C ATOM 151 CD1 ILE A 10 8.158 -5.234 -7.064 1.00 0.00 C ATOM 0 H ILE A 10 8.447 -5.166 -4.853 1.00 0.00 H new ATOM 0 HA ILE A 10 9.739 -7.404 -3.948 1.00 0.00 H new ATOM 0 HB ILE A 10 9.188 -8.413 -6.150 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.828 -6.467 -7.544 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.275 -7.162 -7.964 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.754 -7.985 -6.061 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.448 -8.186 -4.435 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.050 -6.559 -5.038 1.00 0.00 H new ATOM 0 HD11 ILE A 10 8.189 -4.722 -8.026 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.121 -5.351 -6.749 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.698 -4.646 -6.322 1.00 0.00 H new ATOM 163 N ARG A 11 11.625 -5.667 -5.946 1.00 0.00 N ATOM 164 CA ARG A 11 12.969 -5.558 -6.501 1.00 0.00 C ATOM 165 C ARG A 11 14.028 -5.794 -5.422 1.00 0.00 C ATOM 166 O ARG A 11 14.948 -6.596 -5.601 1.00 0.00 O ATOM 167 CB ARG A 11 13.170 -4.181 -7.143 1.00 0.00 C ATOM 168 CG ARG A 11 12.929 -3.021 -6.189 1.00 0.00 C ATOM 169 CD ARG A 11 13.162 -1.681 -6.868 1.00 0.00 C ATOM 170 NE ARG A 11 12.940 -0.563 -5.956 1.00 0.00 N ATOM 171 CZ ARG A 11 13.102 0.712 -6.300 1.00 0.00 C ATOM 172 NH1 ARG A 11 13.488 1.028 -7.529 1.00 0.00 N ATOM 173 NH2 ARG A 11 12.877 1.672 -5.413 1.00 0.00 N ATOM 0 H ARG A 11 11.069 -4.814 -6.012 1.00 0.00 H new ATOM 0 HA ARG A 11 13.082 -6.326 -7.266 1.00 0.00 H new ATOM 0 HB2 ARG A 11 14.186 -4.116 -7.531 1.00 0.00 H new ATOM 0 HB3 ARG A 11 12.497 -4.085 -7.995 1.00 0.00 H new ATOM 0 HG2 ARG A 11 11.907 -3.066 -5.812 1.00 0.00 H new ATOM 0 HG3 ARG A 11 13.591 -3.113 -5.328 1.00 0.00 H new ATOM 0 HD2 ARG A 11 14.182 -1.640 -7.251 1.00 0.00 H new ATOM 0 HD3 ARG A 11 12.496 -1.588 -7.726 1.00 0.00 H new ATOM 0 HE ARG A 11 12.644 -0.771 -5.002 1.00 0.00 H new ATOM 0 HH11 ARG A 11 13.662 0.292 -8.214 1.00 0.00 H new ATOM 0 HH12 ARG A 11 13.611 2.007 -7.789 1.00 0.00 H new ATOM 0 HH21 ARG A 11 12.580 1.433 -4.467 1.00 0.00 H new ATOM 0 HH22 ARG A 11 13.001 2.649 -5.677 1.00 0.00 H new ATOM 187 N THR A 12 13.891 -5.094 -4.301 1.00 0.00 N ATOM 188 CA THR A 12 14.828 -5.225 -3.193 1.00 0.00 C ATOM 189 C THR A 12 14.608 -6.533 -2.439 1.00 0.00 C ATOM 190 O THR A 12 15.566 -7.198 -2.031 1.00 0.00 O ATOM 191 CB THR A 12 14.701 -4.049 -2.207 1.00 0.00 C ATOM 192 OG1 THR A 12 14.973 -2.814 -2.880 1.00 0.00 O ATOM 193 CG2 THR A 12 15.660 -4.214 -1.037 1.00 0.00 C ATOM 0 H THR A 12 13.137 -4.428 -4.136 1.00 0.00 H new ATOM 0 HA THR A 12 15.829 -5.221 -3.624 1.00 0.00 H new ATOM 0 HB THR A 12 13.682 -4.038 -1.822 1.00 0.00 H new ATOM 0 HG1 THR A 12 14.889 -2.071 -2.247 1.00 0.00 H new ATOM 0 HG21 THR A 12 15.551 -3.371 -0.355 1.00 0.00 H new ATOM 0 HG22 THR A 12 15.433 -5.140 -0.508 1.00 0.00 H new ATOM 0 HG23 THR A 12 16.684 -4.250 -1.408 1.00 0.00 H new ATOM 201 N LEU A 13 13.342 -6.892 -2.249 1.00 0.00 N ATOM 202 CA LEU A 13 12.996 -8.113 -1.537 1.00 0.00 C ATOM 203 C LEU A 13 13.514 -9.339 -2.280 1.00 0.00 C ATOM 204 O LEU A 13 14.200 -10.178 -1.703 1.00 0.00 O ATOM 205 CB LEU A 13 11.480 -8.207 -1.344 1.00 0.00 C ATOM 206 CG LEU A 13 11.008 -9.330 -0.414 1.00 0.00 C ATOM 207 CD1 LEU A 13 9.533 -9.165 -0.091 1.00 0.00 C ATOM 208 CD2 LEU A 13 11.261 -10.693 -1.037 1.00 0.00 C ATOM 0 H LEU A 13 12.541 -6.354 -2.579 1.00 0.00 H new ATOM 0 HA LEU A 13 13.471 -8.082 -0.557 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.120 -7.256 -0.950 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.014 -8.345 -2.320 1.00 0.00 H new ATOM 0 HG LEU A 13 11.580 -9.266 0.512 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.213 -9.970 0.570 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.373 -8.206 0.402 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.952 -9.200 -1.013 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.917 -11.473 -0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.719 -10.768 -1.980 1.00 0.00 H new ATOM 0 HD23 LEU A 13 12.328 -10.816 -1.221 1.00 0.00 H new ATOM 220 N ARG A 14 13.176 -9.438 -3.562 1.00 0.00 N ATOM 221 CA ARG A 14 13.600 -10.560 -4.392 1.00 0.00 C ATOM 222 C ARG A 14 15.081 -10.857 -4.202 1.00 0.00 C ATOM 223 O ARG A 14 15.512 -12.003 -4.310 1.00 0.00 O ATOM 224 CB ARG A 14 13.324 -10.250 -5.868 1.00 0.00 C ATOM 225 CG ARG A 14 13.833 -11.315 -6.824 1.00 0.00 C ATOM 226 CD ARG A 14 13.170 -12.654 -6.564 1.00 0.00 C ATOM 227 NE ARG A 14 13.676 -13.703 -7.446 1.00 0.00 N ATOM 228 CZ ARG A 14 13.540 -13.688 -8.769 1.00 0.00 C ATOM 229 NH1 ARG A 14 12.902 -12.689 -9.364 1.00 0.00 N ATOM 230 NH2 ARG A 14 14.037 -14.677 -9.499 1.00 0.00 N ATOM 0 H ARG A 14 12.605 -8.749 -4.051 1.00 0.00 H new ATOM 0 HA ARG A 14 13.032 -11.439 -4.088 1.00 0.00 H new ATOM 0 HB2 ARG A 14 12.250 -10.131 -6.010 1.00 0.00 H new ATOM 0 HB3 ARG A 14 13.786 -9.296 -6.122 1.00 0.00 H new ATOM 0 HG2 ARG A 14 13.641 -11.006 -7.851 1.00 0.00 H new ATOM 0 HG3 ARG A 14 14.913 -11.415 -6.718 1.00 0.00 H new ATOM 0 HD2 ARG A 14 13.335 -12.944 -5.526 1.00 0.00 H new ATOM 0 HD3 ARG A 14 12.093 -12.556 -6.700 1.00 0.00 H new ATOM 0 HE ARG A 14 14.162 -14.493 -7.022 1.00 0.00 H new ATOM 0 HH11 ARG A 14 12.513 -11.928 -8.807 1.00 0.00 H new ATOM 0 HH12 ARG A 14 12.800 -12.681 -10.379 1.00 0.00 H new ATOM 0 HH21 ARG A 14 14.524 -15.450 -9.046 1.00 0.00 H new ATOM 0 HH22 ARG A 14 13.932 -14.665 -10.514 1.00 0.00 H new ATOM 244 N ALA A 15 15.851 -9.813 -3.933 1.00 0.00 N ATOM 245 CA ALA A 15 17.291 -9.944 -3.744 1.00 0.00 C ATOM 246 C ALA A 15 17.655 -10.382 -2.332 1.00 0.00 C ATOM 247 O ALA A 15 18.435 -11.316 -2.145 1.00 0.00 O ATOM 248 CB ALA A 15 17.974 -8.631 -4.055 1.00 0.00 C ATOM 0 H ALA A 15 15.501 -8.859 -3.840 1.00 0.00 H new ATOM 0 HA ALA A 15 17.634 -10.719 -4.429 1.00 0.00 H new ATOM 0 HB1 ALA A 15 19.049 -8.737 -3.911 1.00 0.00 H new ATOM 0 HB2 ALA A 15 17.772 -8.352 -5.089 1.00 0.00 H new ATOM 0 HB3 ALA A 15 17.594 -7.856 -3.389 1.00 0.00 H new ATOM 254 N GLN A 16 17.099 -9.698 -1.339 1.00 0.00 N ATOM 255 CA GLN A 16 17.388 -10.026 0.055 1.00 0.00 C ATOM 256 C GLN A 16 16.857 -11.410 0.383 1.00 0.00 C ATOM 257 O GLN A 16 17.452 -12.162 1.155 1.00 0.00 O ATOM 258 CB GLN A 16 16.769 -8.987 0.994 1.00 0.00 C ATOM 259 CG GLN A 16 15.257 -8.907 0.889 1.00 0.00 C ATOM 260 CD GLN A 16 14.653 -7.852 1.797 1.00 0.00 C ATOM 261 OE1 GLN A 16 13.945 -6.895 1.203 1.00 0.00 O flip ATOM 262 NE2 GLN A 16 14.818 -7.896 3.016 1.00 0.00 N flip ATOM 0 H GLN A 16 16.452 -8.920 -1.469 1.00 0.00 H new ATOM 0 HA GLN A 16 18.469 -10.016 0.197 1.00 0.00 H new ATOM 0 HB2 GLN A 16 17.043 -9.228 2.021 1.00 0.00 H new ATOM 0 HB3 GLN A 16 17.194 -8.008 0.772 1.00 0.00 H new ATOM 0 HG2 GLN A 16 14.981 -8.691 -0.143 1.00 0.00 H new ATOM 0 HG3 GLN A 16 14.830 -9.879 1.136 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.369 -8.649 3.429 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.404 -7.180 3.613 1.00 0.00 H new ATOM 271 N ALA A 17 15.732 -11.729 -0.231 1.00 0.00 N ATOM 272 CA ALA A 17 15.081 -13.011 -0.054 1.00 0.00 C ATOM 273 C ALA A 17 15.644 -14.033 -1.020 1.00 0.00 C ATOM 274 O ALA A 17 15.491 -15.234 -0.817 1.00 0.00 O ATOM 275 CB ALA A 17 13.584 -12.879 -0.233 1.00 0.00 C ATOM 0 H ALA A 17 15.243 -11.102 -0.869 1.00 0.00 H new ATOM 0 HA ALA A 17 15.275 -13.355 0.962 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.114 -13.853 -0.096 1.00 0.00 H new ATOM 0 HB2 ALA A 17 13.190 -12.179 0.504 1.00 0.00 H new ATOM 0 HB3 ALA A 17 13.369 -12.510 -1.236 1.00 0.00 H new ATOM 281 N ARG A 18 16.289 -13.544 -2.081 1.00 0.00 N ATOM 282 CA ARG A 18 16.880 -14.417 -3.086 1.00 0.00 C ATOM 283 C ARG A 18 17.572 -15.595 -2.413 1.00 0.00 C ATOM 284 O ARG A 18 17.639 -16.694 -2.964 1.00 0.00 O ATOM 285 CB ARG A 18 17.879 -13.627 -3.926 1.00 0.00 C ATOM 286 CG ARG A 18 18.478 -14.407 -5.077 1.00 0.00 C ATOM 287 CD ARG A 18 19.357 -13.508 -5.924 1.00 0.00 C ATOM 288 NE ARG A 18 19.939 -14.211 -7.064 1.00 0.00 N ATOM 289 CZ ARG A 18 20.798 -15.222 -6.953 1.00 0.00 C ATOM 290 NH1 ARG A 18 21.187 -15.637 -5.755 1.00 0.00 N ATOM 291 NH2 ARG A 18 21.271 -15.813 -8.040 1.00 0.00 N ATOM 0 H ARG A 18 16.413 -12.548 -2.263 1.00 0.00 H new ATOM 0 HA ARG A 18 16.094 -14.801 -3.736 1.00 0.00 H new ATOM 0 HB2 ARG A 18 17.383 -12.741 -4.322 1.00 0.00 H new ATOM 0 HB3 ARG A 18 18.685 -13.279 -3.280 1.00 0.00 H new ATOM 0 HG2 ARG A 18 19.064 -15.242 -4.693 1.00 0.00 H new ATOM 0 HG3 ARG A 18 17.683 -14.831 -5.690 1.00 0.00 H new ATOM 0 HD2 ARG A 18 18.769 -12.664 -6.283 1.00 0.00 H new ATOM 0 HD3 ARG A 18 20.157 -13.100 -5.306 1.00 0.00 H new ATOM 0 HE ARG A 18 19.671 -13.910 -8.001 1.00 0.00 H new ATOM 0 HH11 ARG A 18 20.828 -15.181 -4.916 1.00 0.00 H new ATOM 0 HH12 ARG A 18 21.845 -16.412 -5.673 1.00 0.00 H new ATOM 0 HH21 ARG A 18 20.977 -15.494 -8.963 1.00 0.00 H new ATOM 0 HH22 ARG A 18 21.929 -16.588 -7.954 1.00 0.00 H new ATOM 305 N GLU A 19 18.069 -15.351 -1.205 1.00 0.00 N ATOM 306 CA GLU A 19 18.742 -16.383 -0.427 1.00 0.00 C ATOM 307 C GLU A 19 17.882 -16.804 0.765 1.00 0.00 C ATOM 308 O GLU A 19 18.371 -16.911 1.890 1.00 0.00 O ATOM 309 CB GLU A 19 20.105 -15.878 0.055 1.00 0.00 C ATOM 310 CG GLU A 19 20.025 -14.612 0.892 1.00 0.00 C ATOM 311 CD GLU A 19 21.387 -14.134 1.356 1.00 0.00 C ATOM 312 OE1 GLU A 19 22.073 -14.897 2.067 1.00 0.00 O ATOM 313 OE2 GLU A 19 21.767 -12.996 1.010 1.00 0.00 O ATOM 0 H GLU A 19 18.018 -14.443 -0.743 1.00 0.00 H new ATOM 0 HA GLU A 19 18.895 -17.253 -1.066 1.00 0.00 H new ATOM 0 HB2 GLU A 19 20.586 -16.661 0.641 1.00 0.00 H new ATOM 0 HB3 GLU A 19 20.741 -15.691 -0.811 1.00 0.00 H new ATOM 0 HG2 GLU A 19 19.547 -13.825 0.309 1.00 0.00 H new ATOM 0 HG3 GLU A 19 19.392 -14.794 1.761 1.00 0.00 H new ATOM 320 N SER A 20 16.594 -17.033 0.510 1.00 0.00 N ATOM 321 CA SER A 20 15.665 -17.430 1.564 1.00 0.00 C ATOM 322 C SER A 20 14.338 -17.919 0.983 1.00 0.00 C ATOM 323 O SER A 20 14.106 -17.842 -0.224 1.00 0.00 O ATOM 324 CB SER A 20 15.414 -16.257 2.515 1.00 0.00 C ATOM 325 OG SER A 20 14.530 -16.625 3.560 1.00 0.00 O ATOM 0 H SER A 20 16.172 -16.950 -0.415 1.00 0.00 H new ATOM 0 HA SER A 20 16.119 -18.254 2.115 1.00 0.00 H new ATOM 0 HB2 SER A 20 16.360 -15.919 2.938 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.995 -15.418 1.959 1.00 0.00 H new ATOM 0 HG SER A 20 14.388 -15.858 4.154 1.00 0.00 H new ATOM 331 N THR A 21 13.477 -18.426 1.861 1.00 0.00 N ATOM 332 CA THR A 21 12.166 -18.940 1.467 1.00 0.00 C ATOM 333 C THR A 21 11.176 -17.801 1.235 1.00 0.00 C ATOM 334 O THR A 21 11.378 -16.686 1.719 1.00 0.00 O ATOM 335 CB THR A 21 11.603 -19.894 2.542 1.00 0.00 C ATOM 336 OG1 THR A 21 12.549 -20.935 2.813 1.00 0.00 O ATOM 337 CG2 THR A 21 10.287 -20.512 2.094 1.00 0.00 C ATOM 0 H THR A 21 13.666 -18.493 2.861 1.00 0.00 H new ATOM 0 HA THR A 21 12.299 -19.489 0.535 1.00 0.00 H new ATOM 0 HB THR A 21 11.422 -19.313 3.446 1.00 0.00 H new ATOM 0 HG1 THR A 21 12.187 -21.536 3.497 1.00 0.00 H new ATOM 0 HG21 THR A 21 9.915 -21.179 2.872 1.00 0.00 H new ATOM 0 HG22 THR A 21 9.557 -19.723 1.913 1.00 0.00 H new ATOM 0 HG23 THR A 21 10.445 -21.078 1.176 1.00 0.00 H new ATOM 345 N LEU A 22 10.102 -18.084 0.497 1.00 0.00 N ATOM 346 CA LEU A 22 9.090 -17.084 0.212 1.00 0.00 C ATOM 347 C LEU A 22 8.447 -16.591 1.503 1.00 0.00 C ATOM 348 O LEU A 22 7.777 -15.576 1.508 1.00 0.00 O ATOM 349 CB LEU A 22 8.025 -17.635 -0.743 1.00 0.00 C ATOM 350 CG LEU A 22 6.652 -17.892 -0.120 1.00 0.00 C ATOM 351 CD1 LEU A 22 5.601 -18.051 -1.203 1.00 0.00 C ATOM 352 CD2 LEU A 22 6.676 -19.113 0.783 1.00 0.00 C ATOM 0 H LEU A 22 9.917 -19.000 0.089 1.00 0.00 H new ATOM 0 HA LEU A 22 9.577 -16.241 -0.277 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.905 -16.934 -1.569 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.392 -18.569 -1.169 1.00 0.00 H new ATOM 0 HG LEU A 22 6.395 -17.029 0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.630 -18.233 -0.743 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.554 -17.141 -1.801 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.863 -18.893 -1.844 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.686 -19.269 1.210 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.963 -19.990 0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.397 -18.958 1.585 1.00 0.00 H new ATOM 364 N GLU A 23 8.647 -17.321 2.593 1.00 0.00 N ATOM 365 CA GLU A 23 8.071 -16.942 3.881 1.00 0.00 C ATOM 366 C GLU A 23 8.167 -15.433 4.085 1.00 0.00 C ATOM 367 O GLU A 23 7.345 -14.836 4.784 1.00 0.00 O ATOM 368 CB GLU A 23 8.782 -17.671 5.020 1.00 0.00 C ATOM 369 CG GLU A 23 10.259 -17.331 5.135 1.00 0.00 C ATOM 370 CD GLU A 23 10.937 -18.060 6.278 1.00 0.00 C ATOM 371 OE1 GLU A 23 10.514 -17.872 7.438 1.00 0.00 O ATOM 372 OE2 GLU A 23 11.894 -18.820 6.012 1.00 0.00 O ATOM 0 H GLU A 23 9.202 -18.177 2.613 1.00 0.00 H new ATOM 0 HA GLU A 23 7.020 -17.230 3.884 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.288 -17.427 5.960 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.676 -18.746 4.874 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.760 -17.583 4.200 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.371 -16.256 5.277 1.00 0.00 H new ATOM 379 N THR A 24 9.160 -14.818 3.440 1.00 0.00 N ATOM 380 CA THR A 24 9.341 -13.376 3.517 1.00 0.00 C ATOM 381 C THR A 24 8.034 -12.673 3.172 1.00 0.00 C ATOM 382 O THR A 24 7.630 -11.728 3.850 1.00 0.00 O ATOM 383 CB THR A 24 10.456 -12.890 2.571 1.00 0.00 C ATOM 384 OG1 THR A 24 10.545 -11.461 2.611 1.00 0.00 O ATOM 385 CG2 THR A 24 10.200 -13.348 1.144 1.00 0.00 C ATOM 0 H THR A 24 9.848 -15.299 2.861 1.00 0.00 H new ATOM 0 HA THR A 24 9.636 -13.132 4.537 1.00 0.00 H new ATOM 0 HB THR A 24 11.398 -13.323 2.908 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.257 -11.161 2.008 1.00 0.00 H new ATOM 0 HG21 THR A 24 11.002 -12.991 0.498 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.166 -14.437 1.112 1.00 0.00 H new ATOM 0 HG23 THR A 24 9.248 -12.945 0.798 1.00 0.00 H new ATOM 393 N LEU A 25 7.357 -13.158 2.129 1.00 0.00 N ATOM 394 CA LEU A 25 6.083 -12.587 1.739 1.00 0.00 C ATOM 395 C LEU A 25 5.046 -12.856 2.818 1.00 0.00 C ATOM 396 O LEU A 25 4.306 -11.971 3.211 1.00 0.00 O ATOM 397 CB LEU A 25 5.599 -13.106 0.371 1.00 0.00 C ATOM 398 CG LEU A 25 5.740 -14.608 0.087 1.00 0.00 C ATOM 399 CD1 LEU A 25 4.856 -15.447 0.996 1.00 0.00 C ATOM 400 CD2 LEU A 25 5.398 -14.895 -1.363 1.00 0.00 C ATOM 0 H LEU A 25 7.672 -13.936 1.550 1.00 0.00 H new ATOM 0 HA LEU A 25 6.222 -11.511 1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.547 -12.842 0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.142 -12.566 -0.404 1.00 0.00 H new ATOM 0 HG LEU A 25 6.776 -14.882 0.286 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.989 -16.503 0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.132 -15.271 2.036 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.813 -15.170 0.846 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.500 -15.963 -1.557 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.372 -14.587 -1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.076 -14.342 -2.013 1.00 0.00 H new ATOM 412 N GLU A 26 5.007 -14.074 3.330 1.00 0.00 N ATOM 413 CA GLU A 26 4.060 -14.387 4.379 1.00 0.00 C ATOM 414 C GLU A 26 4.220 -13.375 5.502 1.00 0.00 C ATOM 415 O GLU A 26 3.274 -13.074 6.228 1.00 0.00 O ATOM 416 CB GLU A 26 4.254 -15.818 4.884 1.00 0.00 C ATOM 417 CG GLU A 26 3.415 -16.155 6.106 1.00 0.00 C ATOM 418 CD GLU A 26 3.630 -17.577 6.586 1.00 0.00 C ATOM 419 OE1 GLU A 26 3.368 -18.514 5.802 1.00 0.00 O ATOM 420 OE2 GLU A 26 4.058 -17.754 7.746 1.00 0.00 O ATOM 0 H GLU A 26 5.608 -14.846 3.042 1.00 0.00 H new ATOM 0 HA GLU A 26 3.046 -14.326 3.985 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.007 -16.513 4.082 1.00 0.00 H new ATOM 0 HB3 GLU A 26 5.306 -15.969 5.124 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.659 -15.463 6.912 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.361 -16.011 5.870 1.00 0.00 H new ATOM 427 N GLU A 27 5.430 -12.829 5.611 1.00 0.00 N ATOM 428 CA GLU A 27 5.726 -11.823 6.623 1.00 0.00 C ATOM 429 C GLU A 27 5.299 -10.431 6.154 1.00 0.00 C ATOM 430 O GLU A 27 4.616 -9.707 6.875 1.00 0.00 O ATOM 431 CB GLU A 27 7.221 -11.829 6.954 1.00 0.00 C ATOM 432 CG GLU A 27 7.612 -10.820 8.024 1.00 0.00 C ATOM 433 CD GLU A 27 9.096 -10.845 8.332 1.00 0.00 C ATOM 434 OE1 GLU A 27 9.899 -10.593 7.409 1.00 0.00 O ATOM 435 OE2 GLU A 27 9.456 -11.115 9.498 1.00 0.00 O ATOM 0 H GLU A 27 6.219 -13.068 5.010 1.00 0.00 H new ATOM 0 HA GLU A 27 5.160 -12.070 7.521 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.507 -12.827 7.286 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.787 -11.621 6.046 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.329 -9.820 7.696 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.052 -11.027 8.936 1.00 0.00 H new ATOM 442 N MET A 28 5.719 -10.061 4.944 1.00 0.00 N ATOM 443 CA MET A 28 5.393 -8.752 4.376 1.00 0.00 C ATOM 444 C MET A 28 4.071 -8.777 3.615 1.00 0.00 C ATOM 445 O MET A 28 3.213 -7.919 3.806 1.00 0.00 O ATOM 446 CB MET A 28 6.501 -8.298 3.425 1.00 0.00 C ATOM 447 CG MET A 28 7.870 -8.207 4.069 1.00 0.00 C ATOM 448 SD MET A 28 7.928 -7.007 5.410 1.00 0.00 S ATOM 449 CE MET A 28 9.677 -7.028 5.782 1.00 0.00 C ATOM 0 H MET A 28 6.287 -10.651 4.336 1.00 0.00 H new ATOM 0 HA MET A 28 5.301 -8.055 5.209 1.00 0.00 H new ATOM 0 HB2 MET A 28 6.551 -8.992 2.586 1.00 0.00 H new ATOM 0 HB3 MET A 28 6.238 -7.322 3.017 1.00 0.00 H new ATOM 0 HG2 MET A 28 8.153 -9.188 4.452 1.00 0.00 H new ATOM 0 HG3 MET A 28 8.606 -7.936 3.312 1.00 0.00 H new ATOM 0 HE1 MET A 28 9.884 -6.334 6.597 1.00 0.00 H new ATOM 0 HE2 MET A 28 9.974 -8.034 6.078 1.00 0.00 H new ATOM 0 HE3 MET A 28 10.241 -6.729 4.898 1.00 0.00 H new ATOM 459 N LEU A 29 3.935 -9.768 2.745 1.00 0.00 N ATOM 460 CA LEU A 29 2.739 -9.940 1.919 1.00 0.00 C ATOM 461 C LEU A 29 1.479 -9.979 2.781 1.00 0.00 C ATOM 462 O LEU A 29 0.452 -9.408 2.420 1.00 0.00 O ATOM 463 CB LEU A 29 2.882 -11.227 1.094 1.00 0.00 C ATOM 464 CG LEU A 29 1.791 -11.518 0.067 1.00 0.00 C ATOM 465 CD1 LEU A 29 1.694 -10.396 -0.944 1.00 0.00 C ATOM 466 CD2 LEU A 29 2.089 -12.830 -0.637 1.00 0.00 C ATOM 0 H LEU A 29 4.650 -10.479 2.589 1.00 0.00 H new ATOM 0 HA LEU A 29 2.642 -9.089 1.245 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.838 -11.189 0.571 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.930 -12.069 1.785 1.00 0.00 H new ATOM 0 HG LEU A 29 0.835 -11.595 0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.910 -10.624 -1.667 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.455 -9.464 -0.432 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.647 -10.291 -1.463 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.308 -13.035 -1.370 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.052 -12.761 -1.143 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.121 -13.637 0.095 1.00 0.00 H new ATOM 478 N GLU A 30 1.569 -10.644 3.927 1.00 0.00 N ATOM 479 CA GLU A 30 0.437 -10.743 4.845 1.00 0.00 C ATOM 480 C GLU A 30 0.035 -9.367 5.365 1.00 0.00 C ATOM 481 O GLU A 30 -1.139 -9.108 5.627 1.00 0.00 O ATOM 482 CB GLU A 30 0.777 -11.659 6.023 1.00 0.00 C ATOM 483 CG GLU A 30 -0.340 -11.773 7.049 1.00 0.00 C ATOM 484 CD GLU A 30 0.029 -12.676 8.212 1.00 0.00 C ATOM 485 OE1 GLU A 30 0.316 -13.867 7.972 1.00 0.00 O ATOM 486 OE2 GLU A 30 0.030 -12.189 9.363 1.00 0.00 O ATOM 0 H GLU A 30 2.412 -11.123 4.244 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.402 -11.168 4.294 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.013 -12.653 5.643 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.675 -11.285 6.516 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.584 -10.780 7.427 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.237 -12.159 6.564 1.00 0.00 H new ATOM 493 N LYS A 31 1.017 -8.488 5.519 1.00 0.00 N ATOM 494 CA LYS A 31 0.762 -7.140 6.012 1.00 0.00 C ATOM 495 C LYS A 31 0.392 -6.231 4.857 1.00 0.00 C ATOM 496 O LYS A 31 -0.359 -5.266 5.008 1.00 0.00 O ATOM 497 CB LYS A 31 1.992 -6.609 6.738 1.00 0.00 C ATOM 498 CG LYS A 31 2.693 -7.680 7.547 1.00 0.00 C ATOM 499 CD LYS A 31 1.761 -8.323 8.563 1.00 0.00 C ATOM 500 CE LYS A 31 2.453 -9.444 9.321 1.00 0.00 C ATOM 501 NZ LYS A 31 3.648 -8.958 10.066 1.00 0.00 N ATOM 0 H LYS A 31 1.996 -8.684 5.310 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.070 -7.167 6.715 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.689 -6.193 6.010 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.697 -5.794 7.398 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.083 -8.446 6.876 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.548 -7.244 8.063 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.412 -7.568 9.267 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.881 -8.716 8.054 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.750 -9.898 10.020 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.754 -10.223 8.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.980 -9.702 10.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.404 -8.721 9.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.395 -8.111 10.614 1.00 0.00 H new ATOM 515 N LEU A 32 0.932 -6.563 3.698 1.00 0.00 N ATOM 516 CA LEU A 32 0.678 -5.811 2.491 1.00 0.00 C ATOM 517 C LEU A 32 -0.775 -5.970 2.082 1.00 0.00 C ATOM 518 O LEU A 32 -1.349 -5.105 1.422 1.00 0.00 O ATOM 519 CB LEU A 32 1.606 -6.280 1.385 1.00 0.00 C ATOM 520 CG LEU A 32 1.671 -5.346 0.181 1.00 0.00 C ATOM 521 CD1 LEU A 32 1.896 -3.909 0.620 1.00 0.00 C ATOM 522 CD2 LEU A 32 2.759 -5.789 -0.774 1.00 0.00 C ATOM 0 H LEU A 32 1.556 -7.360 3.571 1.00 0.00 H new ATOM 0 HA LEU A 32 0.870 -4.754 2.675 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.610 -6.397 1.794 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.282 -7.265 1.049 1.00 0.00 H new ATOM 0 HG LEU A 32 0.714 -5.393 -0.339 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.939 -3.263 -0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.076 -3.593 1.264 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.836 -3.839 1.168 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.792 -5.112 -1.627 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.721 -5.774 -0.262 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.549 -6.801 -1.121 1.00 0.00 H new ATOM 534 N GLU A 33 -1.368 -7.078 2.492 1.00 0.00 N ATOM 535 CA GLU A 33 -2.768 -7.332 2.188 1.00 0.00 C ATOM 536 C GLU A 33 -3.655 -6.684 3.242 1.00 0.00 C ATOM 537 O GLU A 33 -4.703 -6.128 2.919 1.00 0.00 O ATOM 538 CB GLU A 33 -3.048 -8.831 2.064 1.00 0.00 C ATOM 539 CG GLU A 33 -2.721 -9.650 3.304 1.00 0.00 C ATOM 540 CD GLU A 33 -3.812 -9.612 4.356 1.00 0.00 C ATOM 541 OE1 GLU A 33 -4.831 -8.925 4.138 1.00 0.00 O ATOM 542 OE2 GLU A 33 -3.650 -10.280 5.400 1.00 0.00 O ATOM 0 H GLU A 33 -0.908 -7.811 3.032 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.000 -6.885 1.221 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.102 -8.970 1.822 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.474 -9.225 1.225 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.545 -10.685 3.011 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.793 -9.280 3.740 1.00 0.00 H new ATOM 549 N VAL A 34 -3.224 -6.746 4.505 1.00 0.00 N ATOM 550 CA VAL A 34 -3.991 -6.141 5.585 1.00 0.00 C ATOM 551 C VAL A 34 -4.025 -4.631 5.415 1.00 0.00 C ATOM 552 O VAL A 34 -5.043 -3.993 5.690 1.00 0.00 O ATOM 553 CB VAL A 34 -3.449 -6.483 6.991 1.00 0.00 C ATOM 554 CG1 VAL A 34 -3.364 -7.987 7.187 1.00 0.00 C ATOM 555 CG2 VAL A 34 -2.102 -5.825 7.236 1.00 0.00 C ATOM 0 H VAL A 34 -2.360 -7.203 4.797 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.995 -6.560 5.519 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.150 -6.086 7.725 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.980 -8.203 8.184 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.356 -8.425 7.078 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.695 -8.414 6.440 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.747 -6.084 8.233 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.385 -6.175 6.493 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.206 -4.743 7.158 1.00 0.00 H new ATOM 565 N VAL A 35 -2.916 -4.057 4.938 1.00 0.00 N ATOM 566 CA VAL A 35 -2.874 -2.618 4.715 1.00 0.00 C ATOM 567 C VAL A 35 -4.016 -2.238 3.788 1.00 0.00 C ATOM 568 O VAL A 35 -4.788 -1.331 4.081 1.00 0.00 O ATOM 569 CB VAL A 35 -1.538 -2.127 4.106 1.00 0.00 C ATOM 570 CG1 VAL A 35 -0.401 -2.207 5.107 1.00 0.00 C ATOM 571 CG2 VAL A 35 -1.193 -2.906 2.858 1.00 0.00 C ATOM 0 H VAL A 35 -2.058 -4.556 4.705 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.968 -2.137 5.688 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.674 -1.079 3.837 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.519 -1.854 4.641 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.633 -1.584 5.971 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.271 -3.240 5.429 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.250 -2.541 2.450 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.097 -3.963 3.104 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.983 -2.776 2.118 1.00 0.00 H new ATOM 581 N VAL A 36 -4.148 -2.968 2.684 1.00 0.00 N ATOM 582 CA VAL A 36 -5.237 -2.708 1.753 1.00 0.00 C ATOM 583 C VAL A 36 -6.533 -3.317 2.265 1.00 0.00 C ATOM 584 O VAL A 36 -7.612 -2.918 1.868 1.00 0.00 O ATOM 585 CB VAL A 36 -4.975 -3.209 0.322 1.00 0.00 C ATOM 586 CG1 VAL A 36 -4.743 -2.019 -0.597 1.00 0.00 C ATOM 587 CG2 VAL A 36 -3.831 -4.211 0.275 1.00 0.00 C ATOM 0 H VAL A 36 -3.526 -3.731 2.417 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.316 -1.622 1.698 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.854 -3.747 -0.032 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.557 -2.373 -1.611 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.625 -1.378 -0.592 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.880 -1.452 -0.247 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.678 -4.540 -0.753 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.920 -3.741 0.645 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -4.075 -5.071 0.899 1.00 0.00 H new ATOM 597 N ASN A 37 -6.432 -4.279 3.160 1.00 0.00 N ATOM 598 CA ASN A 37 -7.623 -4.894 3.722 1.00 0.00 C ATOM 599 C ASN A 37 -8.490 -3.806 4.317 1.00 0.00 C ATOM 600 O ASN A 37 -9.714 -3.803 4.180 1.00 0.00 O ATOM 601 CB ASN A 37 -7.229 -5.905 4.794 1.00 0.00 C ATOM 602 CG ASN A 37 -8.415 -6.602 5.424 1.00 0.00 C ATOM 603 OD1 ASN A 37 -9.239 -7.203 4.735 1.00 0.00 O ATOM 604 ND2 ASN A 37 -8.500 -6.529 6.748 1.00 0.00 N ATOM 0 H ASN A 37 -5.550 -4.650 3.512 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.177 -5.420 2.944 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.569 -6.652 4.354 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -6.660 -5.396 5.572 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.273 -6.983 7.235 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.793 -6.019 7.277 1.00 0.00 H new ATOM 611 N GLU A 38 -7.816 -2.864 4.953 1.00 0.00 N ATOM 612 CA GLU A 38 -8.474 -1.722 5.564 1.00 0.00 C ATOM 613 C GLU A 38 -8.824 -0.682 4.508 1.00 0.00 C ATOM 614 O GLU A 38 -9.909 -0.109 4.524 1.00 0.00 O ATOM 615 CB GLU A 38 -7.578 -1.096 6.631 1.00 0.00 C ATOM 616 CG GLU A 38 -7.215 -2.046 7.761 1.00 0.00 C ATOM 617 CD GLU A 38 -8.430 -2.539 8.521 1.00 0.00 C ATOM 618 OE1 GLU A 38 -9.159 -1.699 9.087 1.00 0.00 O ATOM 619 OE2 GLU A 38 -8.650 -3.769 8.551 1.00 0.00 O ATOM 0 H GLU A 38 -6.802 -2.868 5.060 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.393 -2.070 6.036 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.662 -0.740 6.160 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.081 -0.224 7.049 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.675 -2.900 7.353 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.539 -1.542 8.452 1.00 0.00 H new ATOM 626 N ARG A 39 -7.890 -0.440 3.590 1.00 0.00 N ATOM 627 CA ARG A 39 -8.095 0.536 2.524 1.00 0.00 C ATOM 628 C ARG A 39 -9.081 0.032 1.475 1.00 0.00 C ATOM 629 O ARG A 39 -10.055 0.700 1.158 1.00 0.00 O ATOM 630 CB ARG A 39 -6.771 0.886 1.849 1.00 0.00 C ATOM 631 CG ARG A 39 -5.924 1.878 2.624 1.00 0.00 C ATOM 632 CD ARG A 39 -5.395 1.284 3.915 1.00 0.00 C ATOM 633 NE ARG A 39 -5.157 2.300 4.933 1.00 0.00 N ATOM 634 CZ ARG A 39 -6.131 3.002 5.499 1.00 0.00 C ATOM 635 NH1 ARG A 39 -7.391 2.799 5.134 1.00 0.00 N ATOM 636 NH2 ARG A 39 -5.849 3.909 6.425 1.00 0.00 N ATOM 0 H ARG A 39 -6.984 -0.907 3.564 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.514 1.429 2.988 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.197 -0.029 1.703 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.977 1.295 0.860 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.088 2.203 2.005 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.518 2.764 2.849 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.108 0.552 4.295 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.466 0.750 3.713 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.196 2.480 5.224 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.609 2.104 4.420 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -8.141 3.338 5.568 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.881 4.069 6.704 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.600 4.447 6.858 1.00 0.00 H new ATOM 650 N ARG A 40 -8.828 -1.145 0.932 1.00 0.00 N ATOM 651 CA ARG A 40 -9.718 -1.707 -0.082 1.00 0.00 C ATOM 652 C ARG A 40 -11.170 -1.545 0.355 1.00 0.00 C ATOM 653 O ARG A 40 -12.044 -1.244 -0.457 1.00 0.00 O ATOM 654 CB ARG A 40 -9.413 -3.190 -0.349 1.00 0.00 C ATOM 655 CG ARG A 40 -8.103 -3.435 -1.088 1.00 0.00 C ATOM 656 CD ARG A 40 -8.121 -2.862 -2.503 1.00 0.00 C ATOM 657 NE ARG A 40 -9.075 -3.547 -3.377 1.00 0.00 N ATOM 658 CZ ARG A 40 -10.364 -3.227 -3.474 1.00 0.00 C ATOM 659 NH1 ARG A 40 -10.845 -2.176 -2.827 1.00 0.00 N ATOM 660 NH2 ARG A 40 -11.168 -3.942 -4.250 1.00 0.00 N ATOM 0 H ARG A 40 -8.025 -1.728 1.168 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.551 -1.161 -1.011 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.385 -3.721 0.603 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.230 -3.619 -0.929 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.283 -2.987 -0.527 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.909 -4.507 -1.135 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.371 -1.802 -2.458 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.122 -2.936 -2.933 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.730 -4.319 -3.948 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.227 -1.606 -2.250 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.833 -1.937 -2.906 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.799 -4.737 -4.772 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.155 -3.697 -4.324 1.00 0.00 H new ATOM 674 N GLU A 41 -11.414 -1.745 1.648 1.00 0.00 N ATOM 675 CA GLU A 41 -12.762 -1.623 2.200 1.00 0.00 C ATOM 676 C GLU A 41 -13.121 -0.174 2.569 1.00 0.00 C ATOM 677 O GLU A 41 -14.249 0.266 2.335 1.00 0.00 O ATOM 678 CB GLU A 41 -12.907 -2.518 3.431 1.00 0.00 C ATOM 679 CG GLU A 41 -12.689 -3.993 3.138 1.00 0.00 C ATOM 680 CD GLU A 41 -12.857 -4.864 4.368 1.00 0.00 C ATOM 681 OE1 GLU A 41 -13.958 -4.856 4.955 1.00 0.00 O ATOM 682 OE2 GLU A 41 -11.885 -5.554 4.742 1.00 0.00 O ATOM 0 H GLU A 41 -10.698 -1.992 2.332 1.00 0.00 H new ATOM 0 HA GLU A 41 -13.455 -1.942 1.421 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -12.193 -2.197 4.190 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -13.903 -2.383 3.853 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -13.393 -4.315 2.371 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.688 -4.135 2.731 1.00 0.00 H new ATOM 689 N GLU A 42 -12.177 0.557 3.164 1.00 0.00 N ATOM 690 CA GLU A 42 -12.427 1.941 3.582 1.00 0.00 C ATOM 691 C GLU A 42 -12.184 2.936 2.455 1.00 0.00 C ATOM 692 O GLU A 42 -12.989 3.838 2.231 1.00 0.00 O ATOM 693 CB GLU A 42 -11.556 2.302 4.788 1.00 0.00 C ATOM 694 CG GLU A 42 -11.885 1.508 6.042 1.00 0.00 C ATOM 695 CD GLU A 42 -13.279 1.790 6.572 1.00 0.00 C ATOM 696 OE1 GLU A 42 -13.979 2.642 5.985 1.00 0.00 O ATOM 697 OE2 GLU A 42 -13.669 1.162 7.579 1.00 0.00 O ATOM 0 H GLU A 42 -11.237 0.218 3.367 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.479 2.004 3.860 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.509 2.139 4.530 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.670 3.365 5.002 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.792 0.444 5.826 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.154 1.741 6.816 1.00 0.00 H new ATOM 704 N GLU A 43 -11.071 2.780 1.756 1.00 0.00 N ATOM 705 CA GLU A 43 -10.731 3.676 0.658 1.00 0.00 C ATOM 706 C GLU A 43 -11.874 3.720 -0.345 1.00 0.00 C ATOM 707 O GLU A 43 -12.338 4.797 -0.726 1.00 0.00 O ATOM 708 CB GLU A 43 -9.444 3.219 -0.029 1.00 0.00 C ATOM 709 CG GLU A 43 -8.522 4.363 -0.432 1.00 0.00 C ATOM 710 CD GLU A 43 -9.093 5.257 -1.519 1.00 0.00 C ATOM 711 OE1 GLU A 43 -10.184 4.951 -2.039 1.00 0.00 O ATOM 712 OE2 GLU A 43 -8.437 6.264 -1.859 1.00 0.00 O ATOM 0 H GLU A 43 -10.387 2.043 1.928 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.570 4.676 1.060 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.905 2.549 0.640 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.702 2.643 -0.917 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.305 4.969 0.447 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.574 3.949 -0.776 1.00 0.00 H new ATOM 719 N SER A 44 -12.345 2.542 -0.749 1.00 0.00 N ATOM 720 CA SER A 44 -13.458 2.456 -1.684 1.00 0.00 C ATOM 721 C SER A 44 -14.653 3.189 -1.097 1.00 0.00 C ATOM 722 O SER A 44 -15.418 3.844 -1.807 1.00 0.00 O ATOM 723 CB SER A 44 -13.818 0.995 -1.962 1.00 0.00 C ATOM 724 OG SER A 44 -14.220 0.334 -0.775 1.00 0.00 O ATOM 0 H SER A 44 -11.975 1.642 -0.445 1.00 0.00 H new ATOM 0 HA SER A 44 -13.171 2.917 -2.629 1.00 0.00 H new ATOM 0 HB2 SER A 44 -14.621 0.949 -2.698 1.00 0.00 H new ATOM 0 HB3 SER A 44 -12.959 0.482 -2.395 1.00 0.00 H new ATOM 0 HG SER A 44 -13.540 -0.324 -0.521 1.00 0.00 H new ATOM 730 N ALA A 45 -14.784 3.080 0.221 1.00 0.00 N ATOM 731 CA ALA A 45 -15.855 3.736 0.951 1.00 0.00 C ATOM 732 C ALA A 45 -15.741 5.251 0.811 1.00 0.00 C ATOM 733 O ALA A 45 -16.734 5.941 0.584 1.00 0.00 O ATOM 734 CB ALA A 45 -15.801 3.327 2.415 1.00 0.00 C ATOM 0 H ALA A 45 -14.152 2.536 0.808 1.00 0.00 H new ATOM 0 HA ALA A 45 -16.814 3.428 0.534 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -16.605 3.820 2.961 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -15.918 2.246 2.495 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -14.841 3.621 2.840 1.00 0.00 H new ATOM 740 N ALA A 46 -14.515 5.754 0.939 1.00 0.00 N ATOM 741 CA ALA A 46 -14.254 7.183 0.819 1.00 0.00 C ATOM 742 C ALA A 46 -14.541 7.662 -0.597 1.00 0.00 C ATOM 743 O ALA A 46 -15.121 8.729 -0.795 1.00 0.00 O ATOM 744 CB ALA A 46 -12.810 7.488 1.198 1.00 0.00 C ATOM 0 H ALA A 46 -13.686 5.190 1.126 1.00 0.00 H new ATOM 0 HA ALA A 46 -14.916 7.714 1.503 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.628 8.559 1.104 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -12.631 7.178 2.228 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.137 6.946 0.534 1.00 0.00 H new ATOM 947 N GLU B 2 -10.462 -8.126 -1.897 1.00 0.00 N ATOM 948 CA GLU B 2 -9.503 -7.966 -2.984 1.00 0.00 C ATOM 949 C GLU B 2 -8.062 -8.065 -2.492 1.00 0.00 C ATOM 950 O GLU B 2 -7.199 -8.578 -3.196 1.00 0.00 O ATOM 951 CB GLU B 2 -9.719 -6.627 -3.691 1.00 0.00 C ATOM 952 CG GLU B 2 -8.805 -6.415 -4.886 1.00 0.00 C ATOM 953 CD GLU B 2 -8.993 -7.469 -5.960 1.00 0.00 C ATOM 954 OE1 GLU B 2 -10.118 -7.582 -6.489 1.00 0.00 O ATOM 955 OE2 GLU B 2 -8.015 -8.181 -6.272 1.00 0.00 O ATOM 0 HA GLU B 2 -9.672 -8.781 -3.688 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -10.756 -6.563 -4.021 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -9.562 -5.819 -2.976 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -8.994 -5.430 -5.312 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -7.768 -6.424 -4.551 1.00 0.00 H new ATOM 962 N ALA B 3 -7.805 -7.569 -1.285 1.00 0.00 N ATOM 963 CA ALA B 3 -6.460 -7.603 -0.707 1.00 0.00 C ATOM 964 C ALA B 3 -6.144 -8.994 -0.192 1.00 0.00 C ATOM 965 O ALA B 3 -4.988 -9.384 -0.043 1.00 0.00 O ATOM 966 CB ALA B 3 -6.334 -6.578 0.409 1.00 0.00 C ATOM 0 H ALA B 3 -8.509 -7.138 -0.686 1.00 0.00 H new ATOM 0 HA ALA B 3 -5.740 -7.351 -1.486 1.00 0.00 H new ATOM 0 HB1 ALA B 3 -5.328 -6.617 0.827 1.00 0.00 H new ATOM 0 HB2 ALA B 3 -6.523 -5.581 0.010 1.00 0.00 H new ATOM 0 HB3 ALA B 3 -7.061 -6.800 1.191 1.00 0.00 H new ATOM 972 N LEU B 4 -7.197 -9.729 0.084 1.00 0.00 N ATOM 973 CA LEU B 4 -7.104 -11.079 0.584 1.00 0.00 C ATOM 974 C LEU B 4 -6.949 -12.060 -0.570 1.00 0.00 C ATOM 975 O LEU B 4 -6.197 -13.030 -0.494 1.00 0.00 O ATOM 976 CB LEU B 4 -8.368 -11.373 1.387 1.00 0.00 C ATOM 977 CG LEU B 4 -8.644 -10.382 2.526 1.00 0.00 C ATOM 978 CD1 LEU B 4 -7.371 -10.119 3.307 1.00 0.00 C ATOM 979 CD2 LEU B 4 -9.218 -9.076 1.991 1.00 0.00 C ATOM 0 H LEU B 4 -8.155 -9.400 -0.035 1.00 0.00 H new ATOM 0 HA LEU B 4 -6.229 -11.188 1.224 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -9.222 -11.375 0.709 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -8.292 -12.376 1.806 1.00 0.00 H new ATOM 0 HG LEU B 4 -9.384 -10.825 3.192 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -7.577 -9.415 4.113 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -7.003 -11.054 3.728 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -6.617 -9.699 2.642 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -9.404 -8.393 2.820 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -8.508 -8.623 1.300 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -10.154 -9.276 1.470 1.00 0.00 H new ATOM 991 N LYS B 5 -7.681 -11.782 -1.637 1.00 0.00 N ATOM 992 CA LYS B 5 -7.670 -12.605 -2.838 1.00 0.00 C ATOM 993 C LYS B 5 -6.525 -12.225 -3.771 1.00 0.00 C ATOM 994 O LYS B 5 -6.060 -13.048 -4.561 1.00 0.00 O ATOM 995 CB LYS B 5 -9.002 -12.473 -3.573 1.00 0.00 C ATOM 996 CG LYS B 5 -9.098 -13.359 -4.799 1.00 0.00 C ATOM 997 CD LYS B 5 -8.701 -14.786 -4.472 1.00 0.00 C ATOM 998 CE LYS B 5 -8.811 -15.689 -5.690 1.00 0.00 C ATOM 999 NZ LYS B 5 -7.940 -15.227 -6.805 1.00 0.00 N ATOM 0 H LYS B 5 -8.303 -10.976 -1.696 1.00 0.00 H new ATOM 0 HA LYS B 5 -7.522 -13.640 -2.530 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -9.813 -12.721 -2.889 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -9.144 -11.434 -3.871 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -10.117 -13.341 -5.186 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -8.451 -12.969 -5.585 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -7.678 -14.803 -4.097 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -9.339 -15.169 -3.675 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -8.537 -16.707 -5.413 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -9.847 -15.719 -6.027 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -7.953 -15.931 -7.570 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -8.291 -14.317 -7.166 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -6.966 -15.109 -6.459 1.00 0.00 H new ATOM 1013 N ILE B 6 -6.074 -10.979 -3.677 1.00 0.00 N ATOM 1014 CA ILE B 6 -4.989 -10.494 -4.513 1.00 0.00 C ATOM 1015 C ILE B 6 -3.782 -11.395 -4.359 1.00 0.00 C ATOM 1016 O ILE B 6 -3.176 -11.834 -5.337 1.00 0.00 O ATOM 1017 CB ILE B 6 -4.600 -9.049 -4.130 1.00 0.00 C ATOM 1018 CG1 ILE B 6 -3.465 -8.545 -5.017 1.00 0.00 C ATOM 1019 CG2 ILE B 6 -4.209 -8.976 -2.666 1.00 0.00 C ATOM 1020 CD1 ILE B 6 -2.077 -8.917 -4.535 1.00 0.00 C ATOM 0 H ILE B 6 -6.446 -10.287 -3.027 1.00 0.00 H new ATOM 0 HA ILE B 6 -5.328 -10.501 -5.549 1.00 0.00 H new ATOM 0 HB ILE B 6 -5.466 -8.406 -4.287 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -3.604 -8.940 -6.023 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -3.532 -7.459 -5.089 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -3.938 -7.951 -2.413 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -5.050 -9.292 -2.049 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -3.358 -9.632 -2.484 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -1.333 -8.518 -5.225 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -1.912 -8.498 -3.542 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -1.986 -10.002 -4.491 1.00 0.00 H new ATOM 1032 N LEU B 7 -3.456 -11.668 -3.112 1.00 0.00 N ATOM 1033 CA LEU B 7 -2.340 -12.523 -2.780 1.00 0.00 C ATOM 1034 C LEU B 7 -2.855 -13.912 -2.447 1.00 0.00 C ATOM 1035 O LEU B 7 -2.086 -14.869 -2.343 1.00 0.00 O ATOM 1036 CB LEU B 7 -1.547 -11.920 -1.606 1.00 0.00 C ATOM 1037 CG LEU B 7 -1.765 -12.566 -0.232 1.00 0.00 C ATOM 1038 CD1 LEU B 7 -0.851 -13.767 -0.041 1.00 0.00 C ATOM 1039 CD2 LEU B 7 -1.533 -11.552 0.869 1.00 0.00 C ATOM 0 H LEU B 7 -3.958 -11.303 -2.303 1.00 0.00 H new ATOM 0 HA LEU B 7 -1.664 -12.601 -3.632 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -0.485 -11.977 -1.846 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -1.800 -10.862 -1.530 1.00 0.00 H new ATOM 0 HG LEU B 7 -2.797 -12.913 -0.182 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -1.027 -14.205 0.941 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -1.059 -14.509 -0.812 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.189 -13.448 -0.115 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -1.691 -12.025 1.838 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -0.511 -11.178 0.810 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -2.230 -10.722 0.752 1.00 0.00 H new ATOM 1051 N ASN B 8 -4.173 -14.006 -2.281 1.00 0.00 N ATOM 1052 CA ASN B 8 -4.821 -15.275 -1.953 1.00 0.00 C ATOM 1053 C ASN B 8 -4.416 -15.739 -0.556 1.00 0.00 C ATOM 1054 O ASN B 8 -4.372 -16.940 -0.281 1.00 0.00 O ATOM 1055 CB ASN B 8 -4.451 -16.349 -2.979 1.00 0.00 C ATOM 1056 CG ASN B 8 -4.763 -15.933 -4.403 1.00 0.00 C ATOM 1057 OD1 ASN B 8 -5.917 -15.691 -4.751 1.00 0.00 O ATOM 1058 ND2 ASN B 8 -3.732 -15.849 -5.235 1.00 0.00 N ATOM 0 H ASN B 8 -4.814 -13.217 -2.368 1.00 0.00 H new ATOM 0 HA ASN B 8 -5.899 -15.119 -1.976 1.00 0.00 H new ATOM 0 HB2 ASN B 8 -3.388 -16.574 -2.896 1.00 0.00 H new ATOM 0 HB3 ASN B 8 -4.990 -17.268 -2.747 1.00 0.00 H new ATOM 0 HD21 ASN B 8 -3.881 -15.574 -6.206 1.00 0.00 H new ATOM 0 HD22 ASN B 8 -2.791 -16.059 -4.903 1.00 0.00 H new ATOM 1065 N ASN B 9 -4.127 -14.778 0.320 1.00 0.00 N ATOM 1066 CA ASN B 9 -3.726 -15.068 1.694 1.00 0.00 C ATOM 1067 C ASN B 9 -2.433 -15.891 1.738 1.00 0.00 C ATOM 1068 O ASN B 9 -2.306 -16.906 1.054 1.00 0.00 O ATOM 1069 CB ASN B 9 -4.844 -15.806 2.434 1.00 0.00 C ATOM 1070 CG ASN B 9 -6.129 -14.998 2.548 1.00 0.00 C ATOM 1071 OD1 ASN B 9 -6.139 -13.780 2.005 1.00 0.00 O flip ATOM 1072 ND2 ASN B 9 -7.111 -15.466 3.123 1.00 0.00 N flip ATOM 0 H ASN B 9 -4.164 -13.783 0.099 1.00 0.00 H new ATOM 0 HA ASN B 9 -3.538 -14.116 2.191 1.00 0.00 H new ATOM 0 HB2 ASN B 9 -5.056 -16.741 1.916 1.00 0.00 H new ATOM 0 HB3 ASN B 9 -4.497 -16.067 3.434 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -7.068 -16.402 3.527 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -7.968 -14.918 3.196 1.00 0.00 H new ATOM 1079 N ILE B 10 -1.480 -15.438 2.549 1.00 0.00 N ATOM 1080 CA ILE B 10 -0.192 -16.118 2.692 1.00 0.00 C ATOM 1081 C ILE B 10 -0.368 -17.586 3.072 1.00 0.00 C ATOM 1082 O ILE B 10 0.493 -18.413 2.783 1.00 0.00 O ATOM 1083 CB ILE B 10 0.708 -15.430 3.737 1.00 0.00 C ATOM 1084 CG1 ILE B 10 0.066 -15.454 5.132 1.00 0.00 C ATOM 1085 CG2 ILE B 10 1.012 -14.002 3.302 1.00 0.00 C ATOM 1086 CD1 ILE B 10 -1.152 -14.565 5.276 1.00 0.00 C ATOM 0 H ILE B 10 -1.575 -14.599 3.121 1.00 0.00 H new ATOM 0 HA ILE B 10 0.292 -16.059 1.717 1.00 0.00 H new ATOM 0 HB ILE B 10 1.644 -15.985 3.801 1.00 0.00 H new ATOM 0 HG12 ILE B 10 -0.217 -16.479 5.371 1.00 0.00 H new ATOM 0 HG13 ILE B 10 0.811 -15.150 5.867 1.00 0.00 H new ATOM 0 HG21 ILE B 10 1.648 -13.523 4.046 1.00 0.00 H new ATOM 0 HG22 ILE B 10 1.525 -14.016 2.340 1.00 0.00 H new ATOM 0 HG23 ILE B 10 0.080 -13.444 3.208 1.00 0.00 H new ATOM 0 HD11 ILE B 10 -1.541 -14.643 6.291 1.00 0.00 H new ATOM 0 HD12 ILE B 10 -0.874 -13.531 5.072 1.00 0.00 H new ATOM 0 HD13 ILE B 10 -1.919 -14.881 4.568 1.00 0.00 H new ATOM 1098 N ARG B 11 -1.482 -17.905 3.725 1.00 0.00 N ATOM 1099 CA ARG B 11 -1.754 -19.279 4.140 1.00 0.00 C ATOM 1100 C ARG B 11 -1.866 -20.207 2.929 1.00 0.00 C ATOM 1101 O ARG B 11 -1.201 -21.244 2.862 1.00 0.00 O ATOM 1102 CB ARG B 11 -3.036 -19.334 4.975 1.00 0.00 C ATOM 1103 CG ARG B 11 -4.248 -18.729 4.284 1.00 0.00 C ATOM 1104 CD ARG B 11 -5.461 -18.716 5.202 1.00 0.00 C ATOM 1105 NE ARG B 11 -6.635 -18.137 4.558 1.00 0.00 N ATOM 1106 CZ ARG B 11 -7.247 -18.680 3.509 1.00 0.00 C ATOM 1107 NH1 ARG B 11 -6.811 -19.824 2.999 1.00 0.00 N ATOM 1108 NH2 ARG B 11 -8.303 -18.081 2.973 1.00 0.00 N ATOM 0 H ARG B 11 -2.208 -17.235 3.978 1.00 0.00 H new ATOM 0 HA ARG B 11 -0.919 -19.622 4.751 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -3.252 -20.373 5.223 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -2.868 -18.811 5.916 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -4.018 -17.712 3.968 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -4.477 -19.299 3.383 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -5.687 -19.735 5.517 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -5.226 -18.149 6.103 1.00 0.00 H new ATOM 0 HE ARG B 11 -7.008 -17.265 4.934 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -6.003 -20.291 3.411 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -7.283 -20.237 2.195 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -8.646 -17.204 3.365 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -8.772 -18.498 2.169 1.00 0.00 H new ATOM 1122 N THR B 12 -2.703 -19.828 1.969 1.00 0.00 N ATOM 1123 CA THR B 12 -2.894 -20.622 0.760 1.00 0.00 C ATOM 1124 C THR B 12 -1.652 -20.567 -0.124 1.00 0.00 C ATOM 1125 O THR B 12 -1.283 -21.554 -0.767 1.00 0.00 O ATOM 1126 CB THR B 12 -4.111 -20.129 -0.049 1.00 0.00 C ATOM 1127 OG1 THR B 12 -5.300 -20.233 0.742 1.00 0.00 O ATOM 1128 CG2 THR B 12 -4.275 -20.937 -1.328 1.00 0.00 C ATOM 0 H THR B 12 -3.261 -18.975 2.005 1.00 0.00 H new ATOM 0 HA THR B 12 -3.072 -21.650 1.075 1.00 0.00 H new ATOM 0 HB THR B 12 -3.943 -19.086 -0.316 1.00 0.00 H new ATOM 0 HG1 THR B 12 -6.068 -19.916 0.222 1.00 0.00 H new ATOM 0 HG21 THR B 12 -5.140 -20.571 -1.881 1.00 0.00 H new ATOM 0 HG22 THR B 12 -3.380 -20.832 -1.942 1.00 0.00 H new ATOM 0 HG23 THR B 12 -4.423 -21.988 -1.078 1.00 0.00 H new ATOM 1136 N LEU B 13 -1.018 -19.400 -0.155 1.00 0.00 N ATOM 1137 CA LEU B 13 0.177 -19.198 -0.962 1.00 0.00 C ATOM 1138 C LEU B 13 1.340 -20.056 -0.481 1.00 0.00 C ATOM 1139 O LEU B 13 1.927 -20.806 -1.256 1.00 0.00 O ATOM 1140 CB LEU B 13 0.590 -17.729 -0.943 1.00 0.00 C ATOM 1141 CG LEU B 13 1.999 -17.463 -1.471 1.00 0.00 C ATOM 1142 CD1 LEU B 13 2.207 -18.165 -2.803 1.00 0.00 C ATOM 1143 CD2 LEU B 13 2.256 -15.973 -1.590 1.00 0.00 C ATOM 0 H LEU B 13 -1.314 -18.578 0.372 1.00 0.00 H new ATOM 0 HA LEU B 13 -0.069 -19.499 -1.980 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -0.122 -17.156 -1.537 1.00 0.00 H new ATOM 0 HB3 LEU B 13 0.522 -17.358 0.080 1.00 0.00 H new ATOM 0 HG LEU B 13 2.718 -17.868 -0.759 1.00 0.00 H new ATOM 0 HD11 LEU B 13 3.215 -17.966 -3.166 1.00 0.00 H new ATOM 0 HD12 LEU B 13 2.074 -19.239 -2.673 1.00 0.00 H new ATOM 0 HD13 LEU B 13 1.481 -17.794 -3.527 1.00 0.00 H new ATOM 0 HD21 LEU B 13 3.265 -15.807 -1.968 1.00 0.00 H new ATOM 0 HD22 LEU B 13 1.534 -15.533 -2.278 1.00 0.00 H new ATOM 0 HD23 LEU B 13 2.154 -15.507 -0.610 1.00 0.00 H new ATOM 1155 N ARG B 14 1.676 -19.926 0.795 1.00 0.00 N ATOM 1156 CA ARG B 14 2.778 -20.674 1.388 1.00 0.00 C ATOM 1157 C ARG B 14 2.736 -22.137 0.966 1.00 0.00 C ATOM 1158 O ARG B 14 3.765 -22.809 0.910 1.00 0.00 O ATOM 1159 CB ARG B 14 2.711 -20.573 2.915 1.00 0.00 C ATOM 1160 CG ARG B 14 3.858 -21.265 3.632 1.00 0.00 C ATOM 1161 CD ARG B 14 5.182 -20.575 3.358 1.00 0.00 C ATOM 1162 NE ARG B 14 6.295 -21.222 4.049 1.00 0.00 N ATOM 1163 CZ ARG B 14 6.698 -22.465 3.800 1.00 0.00 C ATOM 1164 NH1 ARG B 14 6.095 -23.187 2.866 1.00 0.00 N ATOM 1165 NH2 ARG B 14 7.708 -22.984 4.483 1.00 0.00 N ATOM 0 H ARG B 14 1.196 -19.304 1.445 1.00 0.00 H new ATOM 0 HA ARG B 14 3.714 -20.242 1.034 1.00 0.00 H new ATOM 0 HB2 ARG B 14 2.701 -19.521 3.199 1.00 0.00 H new ATOM 0 HB3 ARG B 14 1.770 -21.004 3.256 1.00 0.00 H new ATOM 0 HG2 ARG B 14 3.666 -21.273 4.705 1.00 0.00 H new ATOM 0 HG3 ARG B 14 3.915 -22.305 3.311 1.00 0.00 H new ATOM 0 HD2 ARG B 14 5.374 -20.574 2.285 1.00 0.00 H new ATOM 0 HD3 ARG B 14 5.118 -19.533 3.671 1.00 0.00 H new ATOM 0 HE ARG B 14 6.792 -20.690 4.764 1.00 0.00 H new ATOM 0 HH11 ARG B 14 5.320 -22.790 2.336 1.00 0.00 H new ATOM 0 HH12 ARG B 14 6.407 -24.140 2.678 1.00 0.00 H new ATOM 0 HH21 ARG B 14 8.177 -22.430 5.200 1.00 0.00 H new ATOM 0 HH22 ARG B 14 8.017 -23.937 4.292 1.00 0.00 H new ATOM 1179 N ALA B 15 1.535 -22.619 0.679 1.00 0.00 N ATOM 1180 CA ALA B 15 1.339 -24.005 0.271 1.00 0.00 C ATOM 1181 C ALA B 15 1.500 -24.194 -1.229 1.00 0.00 C ATOM 1182 O ALA B 15 2.231 -25.076 -1.679 1.00 0.00 O ATOM 1183 CB ALA B 15 -0.034 -24.476 0.694 1.00 0.00 C ATOM 0 H ALA B 15 0.677 -22.069 0.721 1.00 0.00 H new ATOM 0 HA ALA B 15 2.109 -24.599 0.763 1.00 0.00 H new ATOM 0 HB1 ALA B 15 -0.174 -25.512 0.386 1.00 0.00 H new ATOM 0 HB2 ALA B 15 -0.126 -24.404 1.778 1.00 0.00 H new ATOM 0 HB3 ALA B 15 -0.794 -23.852 0.223 1.00 0.00 H new ATOM 1189 N GLN B 16 0.802 -23.371 -2.005 1.00 0.00 N ATOM 1190 CA GLN B 16 0.869 -23.473 -3.460 1.00 0.00 C ATOM 1191 C GLN B 16 2.278 -23.167 -3.934 1.00 0.00 C ATOM 1192 O GLN B 16 2.773 -23.743 -4.903 1.00 0.00 O ATOM 1193 CB GLN B 16 -0.111 -22.497 -4.117 1.00 0.00 C ATOM 1194 CG GLN B 16 0.349 -21.048 -4.049 1.00 0.00 C ATOM 1195 CD GLN B 16 -0.602 -20.088 -4.730 1.00 0.00 C ATOM 1196 OE1 GLN B 16 -1.002 -19.046 -4.012 1.00 0.00 O flip ATOM 1197 NE2 GLN B 16 -0.962 -20.271 -5.893 1.00 0.00 N flip ATOM 0 H GLN B 16 0.190 -22.633 -1.657 1.00 0.00 H new ATOM 0 HA GLN B 16 0.598 -24.489 -3.745 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -0.249 -22.779 -5.161 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -1.083 -22.586 -3.631 1.00 0.00 H new ATOM 0 HG2 GLN B 16 0.462 -20.758 -3.004 1.00 0.00 H new ATOM 0 HG3 GLN B 16 1.333 -20.964 -4.511 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -0.629 -21.086 -6.408 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -1.593 -19.607 -6.342 1.00 0.00 H new ATOM 1206 N ALA B 17 2.905 -22.243 -3.230 1.00 0.00 N ATOM 1207 CA ALA B 17 4.254 -21.812 -3.529 1.00 0.00 C ATOM 1208 C ALA B 17 5.268 -22.708 -2.855 1.00 0.00 C ATOM 1209 O ALA B 17 6.434 -22.735 -3.240 1.00 0.00 O ATOM 1210 CB ALA B 17 4.449 -20.374 -3.103 1.00 0.00 C ATOM 0 H ALA B 17 2.488 -21.768 -2.429 1.00 0.00 H new ATOM 0 HA ALA B 17 4.407 -21.882 -4.606 1.00 0.00 H new ATOM 0 HB1 ALA B 17 5.468 -20.061 -3.333 1.00 0.00 H new ATOM 0 HB2 ALA B 17 3.744 -19.737 -3.638 1.00 0.00 H new ATOM 0 HB3 ALA B 17 4.276 -20.286 -2.030 1.00 0.00 H new ATOM 1216 N ARG B 18 4.815 -23.434 -1.836 1.00 0.00 N ATOM 1217 CA ARG B 18 5.683 -24.340 -1.101 1.00 0.00 C ATOM 1218 C ARG B 18 6.569 -25.120 -2.062 1.00 0.00 C ATOM 1219 O ARG B 18 7.672 -25.541 -1.713 1.00 0.00 O ATOM 1220 CB ARG B 18 4.839 -25.298 -0.269 1.00 0.00 C ATOM 1221 CG ARG B 18 5.646 -26.265 0.572 1.00 0.00 C ATOM 1222 CD ARG B 18 4.728 -27.178 1.358 1.00 0.00 C ATOM 1223 NE ARG B 18 5.471 -28.120 2.190 1.00 0.00 N ATOM 1224 CZ ARG B 18 4.894 -29.043 2.953 1.00 0.00 C ATOM 1225 NH1 ARG B 18 3.572 -29.150 2.986 1.00 0.00 N ATOM 1226 NH2 ARG B 18 5.640 -29.862 3.683 1.00 0.00 N ATOM 0 H ARG B 18 3.851 -23.410 -1.503 1.00 0.00 H new ATOM 0 HA ARG B 18 6.322 -23.758 -0.437 1.00 0.00 H new ATOM 0 HB2 ARG B 18 4.190 -24.717 0.387 1.00 0.00 H new ATOM 0 HB3 ARG B 18 4.191 -25.867 -0.936 1.00 0.00 H new ATOM 0 HG2 ARG B 18 6.297 -26.859 -0.070 1.00 0.00 H new ATOM 0 HG3 ARG B 18 6.291 -25.712 1.255 1.00 0.00 H new ATOM 0 HD2 ARG B 18 4.073 -26.577 1.988 1.00 0.00 H new ATOM 0 HD3 ARG B 18 4.089 -27.730 0.669 1.00 0.00 H new ATOM 0 HE ARG B 18 6.490 -28.067 2.186 1.00 0.00 H new ATOM 0 HH11 ARG B 18 2.995 -28.523 2.425 1.00 0.00 H new ATOM 0 HH12 ARG B 18 3.132 -29.859 3.572 1.00 0.00 H new ATOM 0 HH21 ARG B 18 6.657 -29.784 3.659 1.00 0.00 H new ATOM 0 HH22 ARG B 18 5.197 -30.570 4.268 1.00 0.00 H new ATOM 1240 N GLU B 19 6.074 -25.300 -3.283 1.00 0.00 N ATOM 1241 CA GLU B 19 6.811 -26.023 -4.311 1.00 0.00 C ATOM 1242 C GLU B 19 7.239 -25.094 -5.449 1.00 0.00 C ATOM 1243 O GLU B 19 7.109 -25.440 -6.623 1.00 0.00 O ATOM 1244 CB GLU B 19 5.963 -27.172 -4.862 1.00 0.00 C ATOM 1245 CG GLU B 19 4.634 -26.721 -5.447 1.00 0.00 C ATOM 1246 CD GLU B 19 3.813 -27.876 -5.987 1.00 0.00 C ATOM 1247 OE1 GLU B 19 3.480 -28.787 -5.199 1.00 0.00 O ATOM 1248 OE2 GLU B 19 3.504 -27.870 -7.197 1.00 0.00 O ATOM 0 H GLU B 19 5.163 -24.954 -3.584 1.00 0.00 H new ATOM 0 HA GLU B 19 7.712 -26.430 -3.851 1.00 0.00 H new ATOM 0 HB2 GLU B 19 6.531 -27.695 -5.632 1.00 0.00 H new ATOM 0 HB3 GLU B 19 5.774 -27.889 -4.063 1.00 0.00 H new ATOM 0 HG2 GLU B 19 4.061 -26.200 -4.679 1.00 0.00 H new ATOM 0 HG3 GLU B 19 4.818 -26.005 -6.248 1.00 0.00 H new ATOM 1255 N SER B 20 7.755 -23.914 -5.099 1.00 0.00 N ATOM 1256 CA SER B 20 8.197 -22.952 -6.104 1.00 0.00 C ATOM 1257 C SER B 20 9.041 -21.837 -5.487 1.00 0.00 C ATOM 1258 O SER B 20 9.431 -21.907 -4.322 1.00 0.00 O ATOM 1259 CB SER B 20 6.990 -22.349 -6.826 1.00 0.00 C ATOM 1260 OG SER B 20 6.144 -21.664 -5.920 1.00 0.00 O ATOM 0 H SER B 20 7.875 -23.605 -4.134 1.00 0.00 H new ATOM 0 HA SER B 20 8.820 -23.488 -6.820 1.00 0.00 H new ATOM 0 HB2 SER B 20 7.331 -21.662 -7.600 1.00 0.00 H new ATOM 0 HB3 SER B 20 6.429 -23.139 -7.326 1.00 0.00 H new ATOM 0 HG SER B 20 6.367 -21.926 -5.002 1.00 0.00 H new ATOM 1266 N THR B 21 9.322 -20.811 -6.288 1.00 0.00 N ATOM 1267 CA THR B 21 10.125 -19.671 -5.848 1.00 0.00 C ATOM 1268 C THR B 21 9.241 -18.555 -5.291 1.00 0.00 C ATOM 1269 O THR B 21 8.048 -18.492 -5.584 1.00 0.00 O ATOM 1270 CB THR B 21 10.975 -19.115 -7.009 1.00 0.00 C ATOM 1271 OG1 THR B 21 11.770 -20.163 -7.578 1.00 0.00 O ATOM 1272 CG2 THR B 21 11.888 -17.993 -6.534 1.00 0.00 C ATOM 0 H THR B 21 9.002 -20.746 -7.254 1.00 0.00 H new ATOM 0 HA THR B 21 10.786 -20.027 -5.058 1.00 0.00 H new ATOM 0 HB THR B 21 10.295 -18.715 -7.761 1.00 0.00 H new ATOM 0 HG1 THR B 21 12.306 -19.803 -8.316 1.00 0.00 H new ATOM 0 HG21 THR B 21 12.475 -17.621 -7.374 1.00 0.00 H new ATOM 0 HG22 THR B 21 11.285 -17.182 -6.125 1.00 0.00 H new ATOM 0 HG23 THR B 21 12.559 -18.372 -5.763 1.00 0.00 H new ATOM 1280 N LEU B 22 9.837 -17.671 -4.487 1.00 0.00 N ATOM 1281 CA LEU B 22 9.112 -16.562 -3.898 1.00 0.00 C ATOM 1282 C LEU B 22 8.574 -15.637 -4.982 1.00 0.00 C ATOM 1283 O LEU B 22 7.748 -14.785 -4.712 1.00 0.00 O ATOM 1284 CB LEU B 22 10.000 -15.781 -2.921 1.00 0.00 C ATOM 1285 CG LEU B 22 10.506 -14.430 -3.427 1.00 0.00 C ATOM 1286 CD1 LEU B 22 11.175 -13.664 -2.304 1.00 0.00 C ATOM 1287 CD2 LEU B 22 11.454 -14.593 -4.601 1.00 0.00 C ATOM 0 H LEU B 22 10.824 -17.709 -4.233 1.00 0.00 H new ATOM 0 HA LEU B 22 8.270 -16.970 -3.340 1.00 0.00 H new ATOM 0 HB2 LEU B 22 9.441 -15.618 -2.000 1.00 0.00 H new ATOM 0 HB3 LEU B 22 10.861 -16.399 -2.666 1.00 0.00 H new ATOM 0 HG LEU B 22 9.645 -13.861 -3.777 1.00 0.00 H new ATOM 0 HD11 LEU B 22 11.530 -12.704 -2.679 1.00 0.00 H new ATOM 0 HD12 LEU B 22 10.458 -13.496 -1.500 1.00 0.00 H new ATOM 0 HD13 LEU B 22 12.019 -14.239 -1.923 1.00 0.00 H new ATOM 0 HD21 LEU B 22 11.793 -13.612 -4.934 1.00 0.00 H new ATOM 0 HD22 LEU B 22 12.313 -15.189 -4.295 1.00 0.00 H new ATOM 0 HD23 LEU B 22 10.937 -15.095 -5.419 1.00 0.00 H new ATOM 1299 N GLU B 23 9.064 -15.801 -6.207 1.00 0.00 N ATOM 1300 CA GLU B 23 8.636 -14.964 -7.327 1.00 0.00 C ATOM 1301 C GLU B 23 7.135 -14.696 -7.258 1.00 0.00 C ATOM 1302 O GLU B 23 6.651 -13.672 -7.747 1.00 0.00 O ATOM 1303 CB GLU B 23 8.984 -15.641 -8.653 1.00 0.00 C ATOM 1304 CG GLU B 23 8.614 -14.816 -9.875 1.00 0.00 C ATOM 1305 CD GLU B 23 8.963 -15.513 -11.176 1.00 0.00 C ATOM 1306 OE1 GLU B 23 10.158 -15.808 -11.390 1.00 0.00 O ATOM 1307 OE2 GLU B 23 8.041 -15.766 -11.980 1.00 0.00 O ATOM 0 H GLU B 23 9.759 -16.507 -6.451 1.00 0.00 H new ATOM 0 HA GLU B 23 9.162 -14.011 -7.263 1.00 0.00 H new ATOM 0 HB2 GLU B 23 10.054 -15.848 -8.675 1.00 0.00 H new ATOM 0 HB3 GLU B 23 8.472 -16.602 -8.706 1.00 0.00 H new ATOM 0 HG2 GLU B 23 7.545 -14.604 -9.856 1.00 0.00 H new ATOM 0 HG3 GLU B 23 9.130 -13.857 -9.831 1.00 0.00 H new ATOM 1314 N THR B 24 6.407 -15.610 -6.617 1.00 0.00 N ATOM 1315 CA THR B 24 4.971 -15.456 -6.448 1.00 0.00 C ATOM 1316 C THR B 24 4.663 -14.098 -5.824 1.00 0.00 C ATOM 1317 O THR B 24 3.731 -13.414 -6.244 1.00 0.00 O ATOM 1318 CB THR B 24 4.377 -16.575 -5.575 1.00 0.00 C ATOM 1319 OG1 THR B 24 2.983 -16.335 -5.348 1.00 0.00 O ATOM 1320 CG2 THR B 24 5.105 -16.672 -4.244 1.00 0.00 C ATOM 0 H THR B 24 6.792 -16.462 -6.209 1.00 0.00 H new ATOM 0 HA THR B 24 4.513 -15.521 -7.435 1.00 0.00 H new ATOM 0 HB THR B 24 4.500 -17.519 -6.105 1.00 0.00 H new ATOM 0 HG1 THR B 24 2.493 -17.182 -5.399 1.00 0.00 H new ATOM 0 HG21 THR B 24 4.665 -17.470 -3.646 1.00 0.00 H new ATOM 0 HG22 THR B 24 6.159 -16.889 -4.420 1.00 0.00 H new ATOM 0 HG23 THR B 24 5.014 -15.726 -3.710 1.00 0.00 H new ATOM 1328 N LEU B 25 5.466 -13.700 -4.833 1.00 0.00 N ATOM 1329 CA LEU B 25 5.278 -12.409 -4.191 1.00 0.00 C ATOM 1330 C LEU B 25 5.577 -11.285 -5.170 1.00 0.00 C ATOM 1331 O LEU B 25 4.818 -10.330 -5.283 1.00 0.00 O ATOM 1332 CB LEU B 25 6.123 -12.255 -2.910 1.00 0.00 C ATOM 1333 CG LEU B 25 7.577 -12.754 -2.939 1.00 0.00 C ATOM 1334 CD1 LEU B 25 8.436 -11.958 -3.906 1.00 0.00 C ATOM 1335 CD2 LEU B 25 8.175 -12.677 -1.544 1.00 0.00 C ATOM 0 H LEU B 25 6.242 -14.250 -4.466 1.00 0.00 H new ATOM 0 HA LEU B 25 4.233 -12.351 -3.886 1.00 0.00 H new ATOM 0 HB2 LEU B 25 6.138 -11.198 -2.645 1.00 0.00 H new ATOM 0 HB3 LEU B 25 5.607 -12.778 -2.105 1.00 0.00 H new ATOM 0 HG LEU B 25 7.562 -13.788 -3.284 1.00 0.00 H new ATOM 0 HD11 LEU B 25 9.454 -12.346 -3.892 1.00 0.00 H new ATOM 0 HD12 LEU B 25 8.027 -12.046 -4.913 1.00 0.00 H new ATOM 0 HD13 LEU B 25 8.444 -10.910 -3.608 1.00 0.00 H new ATOM 0 HD21 LEU B 25 9.205 -13.032 -1.570 1.00 0.00 H new ATOM 0 HD22 LEU B 25 8.155 -11.644 -1.196 1.00 0.00 H new ATOM 0 HD23 LEU B 25 7.594 -13.300 -0.864 1.00 0.00 H new ATOM 1347 N GLU B 26 6.667 -11.403 -5.905 1.00 0.00 N ATOM 1348 CA GLU B 26 7.003 -10.384 -6.875 1.00 0.00 C ATOM 1349 C GLU B 26 5.837 -10.224 -7.833 1.00 0.00 C ATOM 1350 O GLU B 26 5.640 -9.167 -8.428 1.00 0.00 O ATOM 1351 CB GLU B 26 8.296 -10.730 -7.614 1.00 0.00 C ATOM 1352 CG GLU B 26 8.609 -9.795 -8.772 1.00 0.00 C ATOM 1353 CD GLU B 26 9.894 -10.162 -9.490 1.00 0.00 C ATOM 1354 OE1 GLU B 26 10.540 -11.151 -9.084 1.00 0.00 O ATOM 1355 OE2 GLU B 26 10.254 -9.459 -10.457 1.00 0.00 O ATOM 0 H GLU B 26 7.324 -12.181 -5.850 1.00 0.00 H new ATOM 0 HA GLU B 26 7.181 -9.437 -6.366 1.00 0.00 H new ATOM 0 HB2 GLU B 26 9.125 -10.708 -6.907 1.00 0.00 H new ATOM 0 HB3 GLU B 26 8.226 -11.750 -7.991 1.00 0.00 H new ATOM 0 HG2 GLU B 26 7.783 -9.814 -9.482 1.00 0.00 H new ATOM 0 HG3 GLU B 26 8.685 -8.774 -8.399 1.00 0.00 H new ATOM 1362 N GLU B 27 5.045 -11.287 -7.951 1.00 0.00 N ATOM 1363 CA GLU B 27 3.873 -11.269 -8.812 1.00 0.00 C ATOM 1364 C GLU B 27 2.677 -10.648 -8.093 1.00 0.00 C ATOM 1365 O GLU B 27 2.089 -9.680 -8.570 1.00 0.00 O ATOM 1366 CB GLU B 27 3.530 -12.688 -9.272 1.00 0.00 C ATOM 1367 CG GLU B 27 2.324 -12.755 -10.195 1.00 0.00 C ATOM 1368 CD GLU B 27 2.005 -14.170 -10.638 1.00 0.00 C ATOM 1369 OE1 GLU B 27 2.728 -15.101 -10.225 1.00 0.00 O ATOM 1370 OE2 GLU B 27 1.029 -14.348 -11.398 1.00 0.00 O ATOM 0 H GLU B 27 5.196 -12.169 -7.461 1.00 0.00 H new ATOM 0 HA GLU B 27 4.104 -10.659 -9.685 1.00 0.00 H new ATOM 0 HB2 GLU B 27 4.393 -13.113 -9.784 1.00 0.00 H new ATOM 0 HB3 GLU B 27 3.341 -13.309 -8.396 1.00 0.00 H new ATOM 0 HG2 GLU B 27 1.457 -12.334 -9.685 1.00 0.00 H new ATOM 0 HG3 GLU B 27 2.509 -12.136 -11.073 1.00 0.00 H new ATOM 1377 N MET B 28 2.311 -11.225 -6.946 1.00 0.00 N ATOM 1378 CA MET B 28 1.172 -10.742 -6.165 1.00 0.00 C ATOM 1379 C MET B 28 1.570 -9.675 -5.141 1.00 0.00 C ATOM 1380 O MET B 28 0.894 -8.658 -5.007 1.00 0.00 O ATOM 1381 CB MET B 28 0.472 -11.907 -5.465 1.00 0.00 C ATOM 1382 CG MET B 28 1.367 -12.683 -4.512 1.00 0.00 C ATOM 1383 SD MET B 28 0.522 -14.082 -3.751 1.00 0.00 S ATOM 1384 CE MET B 28 0.071 -15.035 -5.198 1.00 0.00 C ATOM 0 H MET B 28 2.788 -12.029 -6.538 1.00 0.00 H new ATOM 0 HA MET B 28 0.484 -10.273 -6.868 1.00 0.00 H new ATOM 0 HB2 MET B 28 -0.385 -11.523 -4.911 1.00 0.00 H new ATOM 0 HB3 MET B 28 0.083 -12.590 -6.220 1.00 0.00 H new ATOM 0 HG2 MET B 28 2.242 -13.043 -5.053 1.00 0.00 H new ATOM 0 HG3 MET B 28 1.728 -12.013 -3.732 1.00 0.00 H new ATOM 0 HE1 MET B 28 0.181 -16.098 -4.983 1.00 0.00 H new ATOM 0 HE2 MET B 28 -0.965 -14.824 -5.464 1.00 0.00 H new ATOM 0 HE3 MET B 28 0.722 -14.764 -6.029 1.00 0.00 H new ATOM 1394 N LEU B 29 2.665 -9.912 -4.422 1.00 0.00 N ATOM 1395 CA LEU B 29 3.150 -8.968 -3.407 1.00 0.00 C ATOM 1396 C LEU B 29 3.437 -7.611 -4.044 1.00 0.00 C ATOM 1397 O LEU B 29 3.284 -6.570 -3.409 1.00 0.00 O ATOM 1398 CB LEU B 29 4.395 -9.545 -2.711 1.00 0.00 C ATOM 1399 CG LEU B 29 5.172 -8.604 -1.787 1.00 0.00 C ATOM 1400 CD1 LEU B 29 4.464 -8.446 -0.452 1.00 0.00 C ATOM 1401 CD2 LEU B 29 6.578 -9.136 -1.576 1.00 0.00 C ATOM 0 H LEU B 29 3.237 -10.751 -4.521 1.00 0.00 H new ATOM 0 HA LEU B 29 2.380 -8.819 -2.650 1.00 0.00 H new ATOM 0 HB2 LEU B 29 4.086 -10.413 -2.129 1.00 0.00 H new ATOM 0 HB3 LEU B 29 5.078 -9.904 -3.481 1.00 0.00 H new ATOM 0 HG LEU B 29 5.226 -7.623 -2.259 1.00 0.00 H new ATOM 0 HD11 LEU B 29 5.036 -7.773 0.186 1.00 0.00 H new ATOM 0 HD12 LEU B 29 3.469 -8.033 -0.615 1.00 0.00 H new ATOM 0 HD13 LEU B 29 4.378 -9.419 0.032 1.00 0.00 H new ATOM 0 HD21 LEU B 29 7.127 -8.463 -0.918 1.00 0.00 H new ATOM 0 HD22 LEU B 29 6.528 -10.126 -1.123 1.00 0.00 H new ATOM 0 HD23 LEU B 29 7.090 -9.202 -2.536 1.00 0.00 H new ATOM 1413 N GLU B 30 3.825 -7.628 -5.313 1.00 0.00 N ATOM 1414 CA GLU B 30 4.099 -6.394 -6.042 1.00 0.00 C ATOM 1415 C GLU B 30 2.805 -5.628 -6.297 1.00 0.00 C ATOM 1416 O GLU B 30 2.793 -4.400 -6.320 1.00 0.00 O ATOM 1417 CB GLU B 30 4.786 -6.694 -7.375 1.00 0.00 C ATOM 1418 CG GLU B 30 5.004 -5.463 -8.239 1.00 0.00 C ATOM 1419 CD GLU B 30 5.661 -5.790 -9.565 1.00 0.00 C ATOM 1420 OE1 GLU B 30 5.081 -6.583 -10.336 1.00 0.00 O ATOM 1421 OE2 GLU B 30 6.754 -5.251 -9.836 1.00 0.00 O ATOM 0 H GLU B 30 3.957 -8.480 -5.858 1.00 0.00 H new ATOM 0 HA GLU B 30 4.764 -5.783 -5.431 1.00 0.00 H new ATOM 0 HB2 GLU B 30 5.749 -7.165 -7.180 1.00 0.00 H new ATOM 0 HB3 GLU B 30 4.185 -7.415 -7.930 1.00 0.00 H new ATOM 0 HG2 GLU B 30 4.045 -4.978 -8.423 1.00 0.00 H new ATOM 0 HG3 GLU B 30 5.624 -4.749 -7.697 1.00 0.00 H new ATOM 1428 N LYS B 31 1.717 -6.367 -6.495 1.00 0.00 N ATOM 1429 CA LYS B 31 0.417 -5.758 -6.754 1.00 0.00 C ATOM 1430 C LYS B 31 -0.265 -5.434 -5.443 1.00 0.00 C ATOM 1431 O LYS B 31 -1.061 -4.499 -5.343 1.00 0.00 O ATOM 1432 CB LYS B 31 -0.442 -6.700 -7.585 1.00 0.00 C ATOM 1433 CG LYS B 31 0.347 -7.404 -8.670 1.00 0.00 C ATOM 1434 CD LYS B 31 1.034 -6.419 -9.601 1.00 0.00 C ATOM 1435 CE LYS B 31 1.887 -7.135 -10.638 1.00 0.00 C ATOM 1436 NZ LYS B 31 1.078 -8.059 -11.480 1.00 0.00 N ATOM 0 H LYS B 31 1.710 -7.387 -6.481 1.00 0.00 H new ATOM 0 HA LYS B 31 0.557 -4.833 -7.314 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -0.896 -7.444 -6.931 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -1.256 -6.137 -8.041 1.00 0.00 H new ATOM 0 HG2 LYS B 31 1.094 -8.053 -8.213 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -0.321 -8.044 -9.247 1.00 0.00 H new ATOM 0 HD2 LYS B 31 0.284 -5.808 -10.104 1.00 0.00 H new ATOM 0 HD3 LYS B 31 1.659 -5.742 -9.019 1.00 0.00 H new ATOM 0 HE2 LYS B 31 2.378 -6.399 -11.275 1.00 0.00 H new ATOM 0 HE3 LYS B 31 2.674 -7.697 -10.135 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 1.649 -8.384 -12.286 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 0.784 -8.879 -10.912 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 0.235 -7.561 -11.831 1.00 0.00 H new ATOM 1450 N LEU B 32 0.074 -6.211 -4.434 1.00 0.00 N ATOM 1451 CA LEU B 32 -0.471 -6.017 -3.114 1.00 0.00 C ATOM 1452 C LEU B 32 0.055 -4.712 -2.547 1.00 0.00 C ATOM 1453 O LEU B 32 -0.575 -4.081 -1.701 1.00 0.00 O ATOM 1454 CB LEU B 32 -0.099 -7.179 -2.213 1.00 0.00 C ATOM 1455 CG LEU B 32 -0.835 -7.189 -0.874 1.00 0.00 C ATOM 1456 CD1 LEU B 32 -2.326 -6.972 -1.076 1.00 0.00 C ATOM 1457 CD2 LEU B 32 -0.577 -8.479 -0.129 1.00 0.00 C ATOM 0 H LEU B 32 0.730 -6.988 -4.509 1.00 0.00 H new ATOM 0 HA LEU B 32 -1.558 -5.972 -3.172 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -0.307 -8.112 -2.737 1.00 0.00 H new ATOM 0 HB3 LEU B 32 0.974 -7.151 -2.026 1.00 0.00 H new ATOM 0 HG LEU B 32 -0.451 -6.366 -0.271 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -2.830 -6.983 -0.109 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -2.491 -6.010 -1.560 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -2.728 -7.768 -1.703 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -1.111 -8.463 0.821 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -0.926 -9.321 -0.727 1.00 0.00 H new ATOM 0 HD23 LEU B 32 0.492 -8.584 0.057 1.00 0.00 H new ATOM 1469 N GLU B 33 1.220 -4.307 -3.035 1.00 0.00 N ATOM 1470 CA GLU B 33 1.820 -3.060 -2.595 1.00 0.00 C ATOM 1471 C GLU B 33 1.271 -1.909 -3.431 1.00 0.00 C ATOM 1472 O GLU B 33 1.083 -0.804 -2.924 1.00 0.00 O ATOM 1473 CB GLU B 33 3.352 -3.125 -2.663 1.00 0.00 C ATOM 1474 CG GLU B 33 3.956 -2.821 -4.027 1.00 0.00 C ATOM 1475 CD GLU B 33 4.022 -1.333 -4.321 1.00 0.00 C ATOM 1476 OE1 GLU B 33 4.666 -0.604 -3.541 1.00 0.00 O ATOM 1477 OE2 GLU B 33 3.434 -0.899 -5.332 1.00 0.00 O ATOM 0 H GLU B 33 1.762 -4.820 -3.730 1.00 0.00 H new ATOM 0 HA GLU B 33 1.558 -2.889 -1.551 1.00 0.00 H new ATOM 0 HB2 GLU B 33 3.762 -2.422 -1.938 1.00 0.00 H new ATOM 0 HB3 GLU B 33 3.671 -4.121 -2.357 1.00 0.00 H new ATOM 0 HG2 GLU B 33 4.960 -3.242 -4.077 1.00 0.00 H new ATOM 0 HG3 GLU B 33 3.365 -3.314 -4.799 1.00 0.00 H new ATOM 1484 N VAL B 34 0.999 -2.180 -4.714 1.00 0.00 N ATOM 1485 CA VAL B 34 0.448 -1.157 -5.597 1.00 0.00 C ATOM 1486 C VAL B 34 -0.980 -0.831 -5.189 1.00 0.00 C ATOM 1487 O VAL B 34 -1.394 0.329 -5.238 1.00 0.00 O ATOM 1488 CB VAL B 34 0.473 -1.552 -7.093 1.00 0.00 C ATOM 1489 CG1 VAL B 34 1.870 -1.962 -7.526 1.00 0.00 C ATOM 1490 CG2 VAL B 34 -0.536 -2.645 -7.397 1.00 0.00 C ATOM 0 H VAL B 34 1.151 -3.087 -5.154 1.00 0.00 H new ATOM 0 HA VAL B 34 1.090 -0.283 -5.487 1.00 0.00 H new ATOM 0 HB VAL B 34 0.187 -0.672 -7.670 1.00 0.00 H new ATOM 0 HG11 VAL B 34 1.859 -2.234 -8.581 1.00 0.00 H new ATOM 0 HG12 VAL B 34 2.557 -1.130 -7.374 1.00 0.00 H new ATOM 0 HG13 VAL B 34 2.198 -2.816 -6.934 1.00 0.00 H new ATOM 0 HG21 VAL B 34 -0.491 -2.897 -8.456 1.00 0.00 H new ATOM 0 HG22 VAL B 34 -0.305 -3.529 -6.803 1.00 0.00 H new ATOM 0 HG23 VAL B 34 -1.538 -2.294 -7.150 1.00 0.00 H new ATOM 1500 N VAL B 35 -1.729 -1.853 -4.762 1.00 0.00 N ATOM 1501 CA VAL B 35 -3.100 -1.629 -4.322 1.00 0.00 C ATOM 1502 C VAL B 35 -3.093 -0.586 -3.221 1.00 0.00 C ATOM 1503 O VAL B 35 -3.868 0.367 -3.248 1.00 0.00 O ATOM 1504 CB VAL B 35 -3.792 -2.911 -3.806 1.00 0.00 C ATOM 1505 CG1 VAL B 35 -4.136 -3.858 -4.938 1.00 0.00 C ATOM 1506 CG2 VAL B 35 -2.932 -3.611 -2.780 1.00 0.00 C ATOM 0 H VAL B 35 -1.413 -2.822 -4.714 1.00 0.00 H new ATOM 0 HA VAL B 35 -3.669 -1.291 -5.188 1.00 0.00 H new ATOM 0 HB VAL B 35 -4.725 -2.606 -3.332 1.00 0.00 H new ATOM 0 HG11 VAL B 35 -4.621 -4.747 -4.534 1.00 0.00 H new ATOM 0 HG12 VAL B 35 -4.811 -3.362 -5.635 1.00 0.00 H new ATOM 0 HG13 VAL B 35 -3.224 -4.148 -5.460 1.00 0.00 H new ATOM 0 HG21 VAL B 35 -3.440 -4.510 -2.432 1.00 0.00 H new ATOM 0 HG22 VAL B 35 -1.978 -3.885 -3.231 1.00 0.00 H new ATOM 0 HG23 VAL B 35 -2.756 -2.944 -1.936 1.00 0.00 H new ATOM 1516 N VAL B 36 -2.179 -0.745 -2.268 1.00 0.00 N ATOM 1517 CA VAL B 36 -2.060 0.225 -1.191 1.00 0.00 C ATOM 1518 C VAL B 36 -1.273 1.439 -1.668 1.00 0.00 C ATOM 1519 O VAL B 36 -1.471 2.546 -1.191 1.00 0.00 O ATOM 1520 CB VAL B 36 -1.417 -0.338 0.092 1.00 0.00 C ATOM 1521 CG1 VAL B 36 -2.470 -0.474 1.181 1.00 0.00 C ATOM 1522 CG2 VAL B 36 -0.689 -1.654 -0.160 1.00 0.00 C ATOM 0 H VAL B 36 -1.521 -1.523 -2.221 1.00 0.00 H new ATOM 0 HA VAL B 36 -3.079 0.506 -0.926 1.00 0.00 H new ATOM 0 HB VAL B 36 -0.658 0.367 0.430 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -2.009 -0.872 2.085 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -2.901 0.504 1.394 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -3.255 -1.151 0.845 1.00 0.00 H new ATOM 0 HG21 VAL B 36 -0.252 -2.012 0.772 1.00 0.00 H new ATOM 0 HG22 VAL B 36 -1.395 -2.394 -0.538 1.00 0.00 H new ATOM 0 HG23 VAL B 36 0.101 -1.498 -0.895 1.00 0.00 H new ATOM 1532 N ASN B 37 -0.394 1.240 -2.636 1.00 0.00 N ATOM 1533 CA ASN B 37 0.380 2.349 -3.172 1.00 0.00 C ATOM 1534 C ASN B 37 -0.562 3.507 -3.437 1.00 0.00 C ATOM 1535 O ASN B 37 -0.264 4.662 -3.135 1.00 0.00 O ATOM 1536 CB ASN B 37 1.071 1.928 -4.467 1.00 0.00 C ATOM 1537 CG ASN B 37 2.106 2.926 -4.942 1.00 0.00 C ATOM 1538 OD1 ASN B 37 1.813 4.107 -5.123 1.00 0.00 O ATOM 1539 ND2 ASN B 37 3.325 2.444 -5.159 1.00 0.00 N ATOM 0 H ASN B 37 -0.199 0.334 -3.063 1.00 0.00 H new ATOM 0 HA ASN B 37 1.146 2.649 -2.457 1.00 0.00 H new ATOM 0 HB2 ASN B 37 1.550 0.960 -4.318 1.00 0.00 H new ATOM 0 HB3 ASN B 37 0.320 1.795 -5.246 1.00 0.00 H new ATOM 0 HD21 ASN B 37 4.066 3.062 -5.490 1.00 0.00 H new ATOM 0 HD22 ASN B 37 3.520 1.456 -4.994 1.00 0.00 H new ATOM 1546 N GLU B 38 -1.724 3.161 -3.971 1.00 0.00 N ATOM 1547 CA GLU B 38 -2.762 4.139 -4.257 1.00 0.00 C ATOM 1548 C GLU B 38 -3.609 4.384 -3.013 1.00 0.00 C ATOM 1549 O GLU B 38 -3.884 5.527 -2.654 1.00 0.00 O ATOM 1550 CB GLU B 38 -3.648 3.657 -5.403 1.00 0.00 C ATOM 1551 CG GLU B 38 -2.895 3.430 -6.703 1.00 0.00 C ATOM 1552 CD GLU B 38 -3.799 2.968 -7.829 1.00 0.00 C ATOM 1553 OE1 GLU B 38 -4.740 3.711 -8.178 1.00 0.00 O ATOM 1554 OE2 GLU B 38 -3.565 1.863 -8.362 1.00 0.00 O ATOM 0 H GLU B 38 -1.972 2.203 -4.216 1.00 0.00 H new ATOM 0 HA GLU B 38 -2.285 5.073 -4.553 1.00 0.00 H new ATOM 0 HB2 GLU B 38 -4.135 2.727 -5.108 1.00 0.00 H new ATOM 0 HB3 GLU B 38 -4.437 4.390 -5.573 1.00 0.00 H new ATOM 0 HG2 GLU B 38 -2.399 4.355 -6.997 1.00 0.00 H new ATOM 0 HG3 GLU B 38 -2.114 2.687 -6.541 1.00 0.00 H new ATOM 1561 N ARG B 39 -4.012 3.298 -2.356 1.00 0.00 N ATOM 1562 CA ARG B 39 -4.824 3.386 -1.146 1.00 0.00 C ATOM 1563 C ARG B 39 -4.018 3.920 0.032 1.00 0.00 C ATOM 1564 O ARG B 39 -4.357 4.931 0.626 1.00 0.00 O ATOM 1565 CB ARG B 39 -5.371 2.014 -0.766 1.00 0.00 C ATOM 1566 CG ARG B 39 -6.688 1.652 -1.424 1.00 0.00 C ATOM 1567 CD ARG B 39 -6.489 1.228 -2.863 1.00 0.00 C ATOM 1568 NE ARG B 39 -7.747 0.884 -3.522 1.00 0.00 N ATOM 1569 CZ ARG B 39 -8.785 1.711 -3.618 1.00 0.00 C ATOM 1570 NH1 ARG B 39 -8.736 2.913 -3.062 1.00 0.00 N ATOM 1571 NH2 ARG B 39 -9.880 1.328 -4.258 1.00 0.00 N ATOM 0 H ARG B 39 -3.788 2.345 -2.643 1.00 0.00 H new ATOM 0 HA ARG B 39 -5.642 4.072 -1.364 1.00 0.00 H new ATOM 0 HB2 ARG B 39 -4.630 1.258 -1.027 1.00 0.00 H new ATOM 0 HB3 ARG B 39 -5.498 1.976 0.316 1.00 0.00 H new ATOM 0 HG2 ARG B 39 -7.164 0.845 -0.868 1.00 0.00 H new ATOM 0 HG3 ARG B 39 -7.363 2.507 -1.385 1.00 0.00 H new ATOM 0 HD2 ARG B 39 -6.003 2.034 -3.412 1.00 0.00 H new ATOM 0 HD3 ARG B 39 -5.818 0.370 -2.896 1.00 0.00 H new ATOM 0 HE ARG B 39 -7.835 -0.045 -3.933 1.00 0.00 H new ATOM 0 HH11 ARG B 39 -7.900 3.208 -2.558 1.00 0.00 H new ATOM 0 HH12 ARG B 39 -9.534 3.543 -3.138 1.00 0.00 H new ATOM 0 HH21 ARG B 39 -9.927 0.399 -4.677 1.00 0.00 H new ATOM 0 HH22 ARG B 39 -10.676 1.962 -4.332 1.00 0.00 H new ATOM 1585 N ARG B 40 -2.956 3.215 0.369 1.00 0.00 N ATOM 1586 CA ARG B 40 -2.100 3.603 1.491 1.00 0.00 C ATOM 1587 C ARG B 40 -1.814 5.106 1.470 1.00 0.00 C ATOM 1588 O ARG B 40 -1.765 5.752 2.519 1.00 0.00 O ATOM 1589 CB ARG B 40 -0.788 2.799 1.462 1.00 0.00 C ATOM 1590 CG ARG B 40 0.105 2.995 2.679 1.00 0.00 C ATOM 1591 CD ARG B 40 -0.651 2.731 3.975 1.00 0.00 C ATOM 1592 NE ARG B 40 0.154 3.033 5.155 1.00 0.00 N ATOM 1593 CZ ARG B 40 0.574 4.255 5.471 1.00 0.00 C ATOM 1594 NH1 ARG B 40 0.256 5.290 4.705 1.00 0.00 N ATOM 1595 NH2 ARG B 40 1.309 4.443 6.558 1.00 0.00 N ATOM 0 H ARG B 40 -2.658 2.368 -0.114 1.00 0.00 H new ATOM 0 HA ARG B 40 -2.627 3.377 2.418 1.00 0.00 H new ATOM 0 HB2 ARG B 40 -1.029 1.740 1.372 1.00 0.00 H new ATOM 0 HB3 ARG B 40 -0.228 3.076 0.569 1.00 0.00 H new ATOM 0 HG2 ARG B 40 0.962 2.325 2.614 1.00 0.00 H new ATOM 0 HG3 ARG B 40 0.495 4.013 2.685 1.00 0.00 H new ATOM 0 HD2 ARG B 40 -1.559 3.334 3.993 1.00 0.00 H new ATOM 0 HD3 ARG B 40 -0.961 1.686 4.006 1.00 0.00 H new ATOM 0 HE ARG B 40 0.409 2.262 5.773 1.00 0.00 H new ATOM 0 HH11 ARG B 40 -0.313 5.151 3.870 1.00 0.00 H new ATOM 0 HH12 ARG B 40 0.580 6.225 4.951 1.00 0.00 H new ATOM 0 HH21 ARG B 40 1.553 3.651 7.152 1.00 0.00 H new ATOM 0 HH22 ARG B 40 1.631 5.380 6.800 1.00 0.00 H new ATOM 1609 N GLU B 41 -1.619 5.657 0.272 1.00 0.00 N ATOM 1610 CA GLU B 41 -1.328 7.085 0.124 1.00 0.00 C ATOM 1611 C GLU B 41 -2.590 7.960 0.039 1.00 0.00 C ATOM 1612 O GLU B 41 -2.662 9.012 0.678 1.00 0.00 O ATOM 1613 CB GLU B 41 -0.465 7.311 -1.119 1.00 0.00 C ATOM 1614 CG GLU B 41 0.888 6.618 -1.060 1.00 0.00 C ATOM 1615 CD GLU B 41 1.783 7.164 0.037 1.00 0.00 C ATOM 1616 OE1 GLU B 41 1.399 7.067 1.222 1.00 0.00 O ATOM 1617 OE2 GLU B 41 2.867 7.690 -0.290 1.00 0.00 O ATOM 0 H GLU B 41 -1.657 5.140 -0.607 1.00 0.00 H new ATOM 0 HA GLU B 41 -0.794 7.388 1.024 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -1.007 6.956 -1.996 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -0.309 8.382 -1.252 1.00 0.00 H new ATOM 0 HG2 GLU B 41 0.737 5.550 -0.901 1.00 0.00 H new ATOM 0 HG3 GLU B 41 1.390 6.730 -2.021 1.00 0.00 H new ATOM 1624 N GLU B 42 -3.563 7.546 -0.771 1.00 0.00 N ATOM 1625 CA GLU B 42 -4.793 8.325 -0.957 1.00 0.00 C ATOM 1626 C GLU B 42 -5.777 8.130 0.191 1.00 0.00 C ATOM 1627 O GLU B 42 -6.439 9.072 0.619 1.00 0.00 O ATOM 1628 CB GLU B 42 -5.462 7.950 -2.281 1.00 0.00 C ATOM 1629 CG GLU B 42 -6.715 8.757 -2.582 1.00 0.00 C ATOM 1630 CD GLU B 42 -7.351 8.381 -3.906 1.00 0.00 C ATOM 1631 OE1 GLU B 42 -6.813 7.486 -4.591 1.00 0.00 O ATOM 1632 OE2 GLU B 42 -8.387 8.983 -4.259 1.00 0.00 O ATOM 0 H GLU B 42 -3.527 6.680 -1.308 1.00 0.00 H new ATOM 0 HA GLU B 42 -4.508 9.377 -0.974 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -4.747 8.090 -3.092 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -5.719 6.891 -2.261 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -7.439 8.608 -1.781 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -6.465 9.818 -2.592 1.00 0.00 H new ATOM 1639 N GLU B 43 -5.876 6.904 0.669 1.00 0.00 N ATOM 1640 CA GLU B 43 -6.785 6.581 1.758 1.00 0.00 C ATOM 1641 C GLU B 43 -6.507 7.479 2.954 1.00 0.00 C ATOM 1642 O GLU B 43 -7.422 8.081 3.517 1.00 0.00 O ATOM 1643 CB GLU B 43 -6.639 5.119 2.160 1.00 0.00 C ATOM 1644 CG GLU B 43 -7.889 4.540 2.798 1.00 0.00 C ATOM 1645 CD GLU B 43 -8.334 5.304 4.030 1.00 0.00 C ATOM 1646 OE1 GLU B 43 -7.523 5.447 4.968 1.00 0.00 O ATOM 1647 OE2 GLU B 43 -9.496 5.761 4.057 1.00 0.00 O ATOM 0 H GLU B 43 -5.337 6.111 0.320 1.00 0.00 H new ATOM 0 HA GLU B 43 -7.807 6.748 1.417 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -6.385 4.531 1.278 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -5.807 5.023 2.857 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -8.697 4.539 2.066 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -7.704 3.501 3.069 1.00 0.00 H new ATOM 1654 N SER B 44 -5.231 7.587 3.321 1.00 0.00 N ATOM 1655 CA SER B 44 -4.839 8.443 4.429 1.00 0.00 C ATOM 1656 C SER B 44 -5.315 9.856 4.137 1.00 0.00 C ATOM 1657 O SER B 44 -5.753 10.587 5.027 1.00 0.00 O ATOM 1658 CB SER B 44 -3.321 8.422 4.620 1.00 0.00 C ATOM 1659 OG SER B 44 -2.859 7.109 4.886 1.00 0.00 O ATOM 0 H SER B 44 -4.460 7.095 2.869 1.00 0.00 H new ATOM 0 HA SER B 44 -5.294 8.079 5.350 1.00 0.00 H new ATOM 0 HB2 SER B 44 -2.833 8.808 3.725 1.00 0.00 H new ATOM 0 HB3 SER B 44 -3.046 9.082 5.443 1.00 0.00 H new ATOM 0 HG SER B 44 -2.495 6.718 4.065 1.00 0.00 H new ATOM 1665 N ALA B 45 -5.241 10.212 2.859 1.00 0.00 N ATOM 1666 CA ALA B 45 -5.678 11.515 2.388 1.00 0.00 C ATOM 1667 C ALA B 45 -7.182 11.674 2.590 1.00 0.00 C ATOM 1668 O ALA B 45 -7.657 12.733 3.004 1.00 0.00 O ATOM 1669 CB ALA B 45 -5.315 11.677 0.920 1.00 0.00 C ATOM 0 H ALA B 45 -4.877 9.605 2.125 1.00 0.00 H new ATOM 0 HA ALA B 45 -5.173 12.291 2.963 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -5.644 12.655 0.570 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -4.235 11.593 0.801 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -5.806 10.898 0.336 1.00 0.00 H new ATOM 1675 N ALA B 46 -7.923 10.606 2.298 1.00 0.00 N ATOM 1676 CA ALA B 46 -9.373 10.609 2.449 1.00 0.00 C ATOM 1677 C ALA B 46 -9.758 10.820 3.908 1.00 0.00 C ATOM 1678 O ALA B 46 -10.683 11.575 4.214 1.00 0.00 O ATOM 1679 CB ALA B 46 -9.961 9.306 1.929 1.00 0.00 C ATOM 0 H ALA B 46 -7.539 9.726 1.954 1.00 0.00 H new ATOM 0 HA ALA B 46 -9.780 11.433 1.863 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -11.044 9.323 2.048 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -9.714 9.191 0.874 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -9.547 8.470 2.492 1.00 0.00 H new