USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 637 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 ASN : amide:sc= -2.11! K(o=-2.1!,f=-1.5) USER MOD Set 1.2: A 61 LYS NZ :NH3+ -163:sc=-0.00821 (180deg=-0.137) USER MOD Single : A 1 MET CE :methyl -117:sc= -0.325 (180deg=-3.43!) USER MOD Single : A 1 MET N :NH3+ -171:sc= 0 (180deg=-0.0704) USER MOD Single : A 2 ASN : amide:sc= -0.273 K(o=-0.27,f=-9.1!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 17 THR OG1 : rot 143:sc= 1.11 USER MOD Single : A 21 THR OG1 : rot -32:sc= 0.0705 USER MOD Single : A 29 TYR OH : rot 53:sc= 0.721 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 8:sc= 0.317 USER MOD Single : A 40 GLN : amide:sc= -0.0376 X(o=-0.038,f=-0.075) USER MOD Single : A 42 MET CE :methyl -139:sc= -1.05 (180deg=-2.71!) USER MOD Single : A 56 ASN : amide:sc= -0.0955 X(o=-0.095,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 80:sc= 0.317 USER MOD Single : A 67 LYS NZ :NH3+ 175:sc= 0.038 (180deg=0.00551) USER MOD Single : A 72 THR OG1 : rot 64:sc= 0.273 USER MOD Single : A 74 LYS NZ :NH3+ 165:sc= 0.626 (180deg=0.488) USER MOD Single : A 80 LYS NZ :NH3+ 134:sc= 1.23 (180deg=0.0588) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.597 -0.704 12.192 1.00 0.00 N ATOM 2 CA MET A 1 2.332 0.011 11.122 1.00 0.00 C ATOM 3 C MET A 1 1.912 -0.501 9.748 1.00 0.00 C ATOM 4 O MET A 1 1.738 0.279 8.812 1.00 0.00 O ATOM 5 CB MET A 1 3.844 -0.161 11.315 1.00 0.00 C ATOM 6 CG MET A 1 4.685 0.745 10.434 1.00 0.00 C ATOM 7 SD MET A 1 6.456 0.508 10.686 1.00 0.00 S ATOM 8 CE MET A 1 6.682 -1.134 10.007 1.00 0.00 C ATOM 0 H1 MET A 1 1.779 -0.243 13.106 1.00 0.00 H new ATOM 0 H2 MET A 1 0.577 -0.679 11.989 1.00 0.00 H new ATOM 0 H3 MET A 1 1.918 -1.692 12.233 1.00 0.00 H new ATOM 0 HA MET A 1 2.088 1.072 11.182 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.091 0.033 12.359 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.110 -1.198 11.111 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.442 0.556 9.388 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.429 1.785 10.638 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.017 -1.810 10.794 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.737 -1.492 9.599 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.430 -1.100 9.215 1.00 0.00 H new ATOM 17 N ASN A 2 1.743 -1.814 9.632 1.00 0.00 N ATOM 18 CA ASN A 2 1.324 -2.426 8.369 1.00 0.00 C ATOM 19 C ASN A 2 -0.141 -2.109 8.064 1.00 0.00 C ATOM 20 O ASN A 2 -0.492 -1.793 6.926 1.00 0.00 O ATOM 21 CB ASN A 2 1.557 -3.947 8.382 1.00 0.00 C ATOM 22 CG ASN A 2 1.078 -4.634 9.649 1.00 0.00 C ATOM 23 OD1 ASN A 2 0.210 -4.133 10.363 1.00 0.00 O ATOM 24 ND2 ASN A 2 1.626 -5.806 9.920 1.00 0.00 N ATOM 0 H ASN A 2 1.889 -2.477 10.394 1.00 0.00 H new ATOM 0 HA ASN A 2 1.938 -1.997 7.577 1.00 0.00 H new ATOM 0 HB2 ASN A 2 1.048 -4.390 7.526 1.00 0.00 H new ATOM 0 HB3 ASN A 2 2.622 -4.142 8.255 1.00 0.00 H new ATOM 0 HD21 ASN A 2 1.332 -6.328 10.745 1.00 0.00 H new ATOM 0 HD22 ASN A 2 2.343 -6.188 9.304 1.00 0.00 H new ATOM 31 N ALA A 3 -0.989 -2.171 9.090 1.00 0.00 N ATOM 32 CA ALA A 3 -2.403 -1.837 8.943 1.00 0.00 C ATOM 33 C ALA A 3 -2.553 -0.401 8.449 1.00 0.00 C ATOM 34 O ALA A 3 -3.430 -0.091 7.644 1.00 0.00 O ATOM 35 CB ALA A 3 -3.137 -2.036 10.264 1.00 0.00 C ATOM 0 H ALA A 3 -0.720 -2.450 10.033 1.00 0.00 H new ATOM 0 HA ALA A 3 -2.848 -2.504 8.205 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -4.190 -1.783 10.137 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.049 -3.077 10.576 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.698 -1.391 11.025 1.00 0.00 H new ATOM 41 N THR A 4 -1.669 0.459 8.934 1.00 0.00 N ATOM 42 CA THR A 4 -1.604 1.851 8.510 1.00 0.00 C ATOM 43 C THR A 4 -1.408 1.955 6.993 1.00 0.00 C ATOM 44 O THR A 4 -1.989 2.819 6.331 1.00 0.00 O ATOM 45 CB THR A 4 -0.443 2.564 9.240 1.00 0.00 C ATOM 46 OG1 THR A 4 -0.648 2.488 10.658 1.00 0.00 O ATOM 47 CG2 THR A 4 -0.315 4.020 8.815 1.00 0.00 C ATOM 0 H THR A 4 -0.973 0.210 9.637 1.00 0.00 H new ATOM 0 HA THR A 4 -2.547 2.333 8.766 1.00 0.00 H new ATOM 0 HB THR A 4 0.484 2.058 8.969 1.00 0.00 H new ATOM 0 HG1 THR A 4 0.090 2.939 11.120 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.513 4.484 9.351 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.126 4.071 7.743 1.00 0.00 H new ATOM 0 HG23 THR A 4 -1.240 4.549 9.046 1.00 0.00 H new ATOM 55 N ILE A 5 -0.603 1.047 6.451 1.00 0.00 N ATOM 56 CA ILE A 5 -0.290 1.038 5.027 1.00 0.00 C ATOM 57 C ILE A 5 -1.529 0.711 4.200 1.00 0.00 C ATOM 58 O ILE A 5 -1.909 1.471 3.314 1.00 0.00 O ATOM 59 CB ILE A 5 0.835 0.024 4.711 1.00 0.00 C ATOM 60 CG1 ILE A 5 2.088 0.359 5.539 1.00 0.00 C ATOM 61 CG2 ILE A 5 1.151 0.018 3.215 1.00 0.00 C ATOM 62 CD1 ILE A 5 3.167 -0.699 5.480 1.00 0.00 C ATOM 0 H ILE A 5 -0.152 0.302 6.982 1.00 0.00 H new ATOM 0 HA ILE A 5 0.057 2.037 4.761 1.00 0.00 H new ATOM 0 HB ILE A 5 0.497 -0.976 4.983 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.501 1.304 5.187 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.795 0.507 6.578 1.00 0.00 H new ATOM 0 HG21 ILE A 5 1.945 -0.702 3.014 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.258 -0.261 2.656 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.476 1.012 2.908 1.00 0.00 H new ATOM 0 HD11 ILE A 5 4.016 -0.388 6.089 1.00 0.00 H new ATOM 0 HD12 ILE A 5 2.774 -1.642 5.861 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.491 -0.831 4.448 1.00 0.00 H new ATOM 74 N ARG A 6 -2.169 -0.411 4.502 1.00 0.00 N ATOM 75 CA ARG A 6 -3.373 -0.812 3.778 1.00 0.00 C ATOM 76 C ARG A 6 -4.489 0.211 4.010 1.00 0.00 C ATOM 77 O ARG A 6 -5.355 0.412 3.156 1.00 0.00 O ATOM 78 CB ARG A 6 -3.825 -2.211 4.219 1.00 0.00 C ATOM 79 CG ARG A 6 -4.290 -2.274 5.668 1.00 0.00 C ATOM 80 CD ARG A 6 -4.620 -3.691 6.108 1.00 0.00 C ATOM 81 NE ARG A 6 -5.142 -3.716 7.474 1.00 0.00 N ATOM 82 CZ ARG A 6 -4.893 -4.676 8.365 1.00 0.00 C ATOM 83 NH1 ARG A 6 -4.141 -5.723 8.041 1.00 0.00 N ATOM 84 NH2 ARG A 6 -5.410 -4.584 9.583 1.00 0.00 N ATOM 0 H ARG A 6 -1.879 -1.056 5.237 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.146 -0.847 2.712 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.637 -2.542 3.571 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -3.001 -2.910 4.080 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -3.512 -1.867 6.315 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -5.170 -1.643 5.792 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -5.354 -4.123 5.428 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -3.725 -4.311 6.047 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.740 -2.943 7.766 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -3.748 -5.798 7.103 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -3.957 -6.452 8.731 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -5.992 -3.784 9.831 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -5.225 -5.313 10.272 1.00 0.00 H new ATOM 98 N GLU A 7 -4.441 0.868 5.168 1.00 0.00 N ATOM 99 CA GLU A 7 -5.432 1.874 5.537 1.00 0.00 C ATOM 100 C GLU A 7 -5.315 3.111 4.649 1.00 0.00 C ATOM 101 O GLU A 7 -6.326 3.701 4.261 1.00 0.00 O ATOM 102 CB GLU A 7 -5.263 2.274 7.009 1.00 0.00 C ATOM 103 CG GLU A 7 -6.240 3.349 7.477 1.00 0.00 C ATOM 104 CD GLU A 7 -6.008 3.761 8.920 1.00 0.00 C ATOM 105 OE1 GLU A 7 -6.611 3.144 9.824 1.00 0.00 O ATOM 106 OE2 GLU A 7 -5.221 4.704 9.160 1.00 0.00 O ATOM 0 H GLU A 7 -3.718 0.718 5.872 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.421 1.438 5.394 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.388 1.388 7.632 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.245 2.631 7.163 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.147 4.224 6.834 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.260 2.980 7.368 1.00 0.00 H new ATOM 113 N ILE A 8 -4.081 3.500 4.316 1.00 0.00 N ATOM 114 CA ILE A 8 -3.863 4.725 3.555 1.00 0.00 C ATOM 115 C ILE A 8 -4.570 4.657 2.199 1.00 0.00 C ATOM 116 O ILE A 8 -5.017 5.676 1.674 1.00 0.00 O ATOM 117 CB ILE A 8 -2.364 5.079 3.353 1.00 0.00 C ATOM 118 CG1 ILE A 8 -2.244 6.574 3.027 1.00 0.00 C ATOM 119 CG2 ILE A 8 -1.731 4.243 2.245 1.00 0.00 C ATOM 120 CD1 ILE A 8 -0.839 7.030 2.720 1.00 0.00 C ATOM 0 H ILE A 8 -3.231 2.990 4.559 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.294 5.525 4.157 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.827 4.853 4.274 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -2.882 6.800 2.173 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.625 7.150 3.871 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -0.683 4.520 2.134 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.802 3.186 2.501 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.256 4.425 1.307 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.843 8.098 2.501 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.198 6.839 3.581 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.460 6.484 1.856 1.00 0.00 H new ATOM 132 N LEU A 9 -4.673 3.454 1.639 1.00 0.00 N ATOM 133 CA LEU A 9 -5.349 3.258 0.354 1.00 0.00 C ATOM 134 C LEU A 9 -6.808 3.710 0.424 1.00 0.00 C ATOM 135 O LEU A 9 -7.393 4.090 -0.586 1.00 0.00 O ATOM 136 CB LEU A 9 -5.268 1.788 -0.096 1.00 0.00 C ATOM 137 CG LEU A 9 -3.918 1.347 -0.698 1.00 0.00 C ATOM 138 CD1 LEU A 9 -3.625 2.106 -1.989 1.00 0.00 C ATOM 139 CD2 LEU A 9 -2.781 1.542 0.299 1.00 0.00 C ATOM 0 H LEU A 9 -4.298 2.600 2.052 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.834 3.873 -0.384 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.488 1.152 0.761 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.050 1.609 -0.834 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.991 0.284 -0.929 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.668 1.778 -2.395 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.414 1.908 -2.715 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.584 3.175 -1.781 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.842 1.223 -0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.713 2.595 0.572 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.974 0.948 1.192 1.00 0.00 H new ATOM 151 N ALA A 10 -7.388 3.670 1.620 1.00 0.00 N ATOM 152 CA ALA A 10 -8.773 4.089 1.819 1.00 0.00 C ATOM 153 C ALA A 10 -8.893 5.614 1.821 1.00 0.00 C ATOM 154 O ALA A 10 -9.917 6.168 1.412 1.00 0.00 O ATOM 155 CB ALA A 10 -9.318 3.510 3.122 1.00 0.00 C ATOM 0 H ALA A 10 -6.920 3.351 2.468 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.366 3.707 0.988 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -10.351 3.830 3.258 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.278 2.422 3.081 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.715 3.865 3.958 1.00 0.00 H new ATOM 161 N LYS A 11 -7.839 6.288 2.275 1.00 0.00 N ATOM 162 CA LYS A 11 -7.851 7.745 2.422 1.00 0.00 C ATOM 163 C LYS A 11 -7.103 8.442 1.273 1.00 0.00 C ATOM 164 O LYS A 11 -7.695 9.233 0.535 1.00 0.00 O ATOM 165 CB LYS A 11 -7.285 8.138 3.804 1.00 0.00 C ATOM 166 CG LYS A 11 -5.980 7.433 4.168 1.00 0.00 C ATOM 167 CD LYS A 11 -5.639 7.552 5.656 1.00 0.00 C ATOM 168 CE LYS A 11 -5.462 8.998 6.107 1.00 0.00 C ATOM 169 NZ LYS A 11 -5.101 9.086 7.548 1.00 0.00 N ATOM 0 H LYS A 11 -6.961 5.848 2.549 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.884 8.089 2.365 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.121 9.215 3.824 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.031 7.915 4.567 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.054 6.379 3.900 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.167 7.856 3.578 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.430 7.087 6.244 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.723 6.998 5.860 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.685 9.473 5.508 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.385 9.550 5.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.989 10.084 7.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.854 8.655 8.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.207 8.581 7.713 1.00 0.00 H new ATOM 183 N PHE A 12 -5.816 8.138 1.109 1.00 0.00 N ATOM 184 CA PHE A 12 -4.996 8.760 0.062 1.00 0.00 C ATOM 185 C PHE A 12 -4.980 7.925 -1.218 1.00 0.00 C ATOM 186 O PHE A 12 -4.721 8.450 -2.304 1.00 0.00 O ATOM 187 CB PHE A 12 -3.560 8.977 0.561 1.00 0.00 C ATOM 188 CG PHE A 12 -3.415 10.155 1.494 1.00 0.00 C ATOM 189 CD1 PHE A 12 -3.641 10.017 2.855 1.00 0.00 C ATOM 190 CD2 PHE A 12 -3.051 11.404 1.006 1.00 0.00 C ATOM 191 CE1 PHE A 12 -3.509 11.095 3.710 1.00 0.00 C ATOM 192 CE2 PHE A 12 -2.920 12.486 1.858 1.00 0.00 C ATOM 193 CZ PHE A 12 -3.148 12.331 3.211 1.00 0.00 C ATOM 0 H PHE A 12 -5.315 7.464 1.688 1.00 0.00 H new ATOM 0 HA PHE A 12 -5.447 9.725 -0.171 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.222 8.076 1.072 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -2.904 9.121 -0.297 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.924 9.054 3.253 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.868 11.532 -0.051 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.688 10.971 4.768 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.639 13.452 1.465 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.044 13.174 3.877 1.00 0.00 H new ATOM 203 N GLY A 13 -5.245 6.631 -1.089 1.00 0.00 N ATOM 204 CA GLY A 13 -5.246 5.751 -2.246 1.00 0.00 C ATOM 205 C GLY A 13 -6.352 6.093 -3.226 1.00 0.00 C ATOM 206 O GLY A 13 -7.527 5.842 -2.958 1.00 0.00 O ATOM 0 H GLY A 13 -5.460 6.173 -0.203 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.282 5.817 -2.751 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.363 4.719 -1.915 1.00 0.00 H new ATOM 210 N GLN A 14 -5.976 6.669 -4.364 1.00 0.00 N ATOM 211 CA GLN A 14 -6.948 7.076 -5.378 1.00 0.00 C ATOM 212 C GLN A 14 -7.418 5.861 -6.183 1.00 0.00 C ATOM 213 O GLN A 14 -7.055 5.685 -7.349 1.00 0.00 O ATOM 214 CB GLN A 14 -6.345 8.146 -6.303 1.00 0.00 C ATOM 215 CG GLN A 14 -7.337 8.724 -7.310 1.00 0.00 C ATOM 216 CD GLN A 14 -6.714 9.767 -8.223 1.00 0.00 C ATOM 217 OE1 GLN A 14 -5.777 10.473 -7.840 1.00 0.00 O ATOM 218 NE2 GLN A 14 -7.238 9.883 -9.435 1.00 0.00 N ATOM 0 H GLN A 14 -5.005 6.865 -4.609 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.814 7.510 -4.877 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.947 8.957 -5.693 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.504 7.712 -6.844 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -7.744 7.915 -7.916 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -8.173 9.172 -6.773 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -8.012 9.281 -9.716 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -6.867 10.574 -10.087 1.00 0.00 H new ATOM 227 N LEU A 15 -8.190 5.003 -5.531 1.00 0.00 N ATOM 228 CA LEU A 15 -8.722 3.800 -6.158 1.00 0.00 C ATOM 229 C LEU A 15 -10.134 4.076 -6.697 1.00 0.00 C ATOM 230 O LEU A 15 -10.965 4.642 -5.986 1.00 0.00 O ATOM 231 CB LEU A 15 -8.746 2.649 -5.131 1.00 0.00 C ATOM 232 CG LEU A 15 -8.957 1.237 -5.710 1.00 0.00 C ATOM 233 CD1 LEU A 15 -7.793 0.840 -6.614 1.00 0.00 C ATOM 234 CD2 LEU A 15 -9.135 0.207 -4.595 1.00 0.00 C ATOM 0 H LEU A 15 -8.465 5.120 -4.556 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.084 3.510 -6.993 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.805 2.659 -4.581 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.539 2.847 -4.410 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.869 1.257 -6.307 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.965 -0.161 -7.011 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.715 1.549 -7.439 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.867 0.848 -6.039 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.282 -0.781 -5.032 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.246 0.196 -3.964 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -10.004 0.470 -3.992 1.00 0.00 H new ATOM 246 N PRO A 16 -10.431 3.674 -7.954 1.00 0.00 N ATOM 247 CA PRO A 16 -11.752 3.894 -8.563 1.00 0.00 C ATOM 248 C PRO A 16 -12.794 2.938 -7.990 1.00 0.00 C ATOM 249 O PRO A 16 -13.999 3.084 -8.211 1.00 0.00 O ATOM 250 CB PRO A 16 -11.514 3.600 -10.046 1.00 0.00 C ATOM 251 CG PRO A 16 -10.359 2.653 -10.077 1.00 0.00 C ATOM 252 CD PRO A 16 -9.512 2.962 -8.866 1.00 0.00 C ATOM 0 HA PRO A 16 -12.136 4.897 -8.377 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -12.398 3.158 -10.507 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.290 4.513 -10.597 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.705 1.620 -10.054 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.783 2.776 -10.994 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -9.123 2.052 -8.409 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.653 3.580 -9.128 1.00 0.00 H new ATOM 260 N THR A 17 -12.295 1.958 -7.264 1.00 0.00 N ATOM 261 CA THR A 17 -13.096 0.933 -6.645 1.00 0.00 C ATOM 262 C THR A 17 -13.026 1.094 -5.122 1.00 0.00 C ATOM 263 O THR A 17 -11.976 1.462 -4.592 1.00 0.00 O ATOM 264 CB THR A 17 -12.545 -0.439 -7.083 1.00 0.00 C ATOM 265 OG1 THR A 17 -12.819 -0.658 -8.475 1.00 0.00 O ATOM 266 CG2 THR A 17 -13.105 -1.579 -6.255 1.00 0.00 C ATOM 0 H THR A 17 -11.296 1.854 -7.087 1.00 0.00 H new ATOM 0 HA THR A 17 -14.140 1.013 -6.949 1.00 0.00 H new ATOM 0 HB THR A 17 -11.468 -0.422 -6.919 1.00 0.00 H new ATOM 0 HG1 THR A 17 -12.061 -1.121 -8.889 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.685 -2.523 -6.604 1.00 0.00 H new ATOM 0 HG22 THR A 17 -12.843 -1.431 -5.207 1.00 0.00 H new ATOM 0 HG23 THR A 17 -14.190 -1.604 -6.358 1.00 0.00 H new ATOM 274 N PRO A 18 -14.137 0.873 -4.400 1.00 0.00 N ATOM 275 CA PRO A 18 -14.157 1.002 -2.940 1.00 0.00 C ATOM 276 C PRO A 18 -13.178 0.033 -2.271 1.00 0.00 C ATOM 277 O PRO A 18 -13.276 -1.182 -2.452 1.00 0.00 O ATOM 278 CB PRO A 18 -15.613 0.677 -2.556 1.00 0.00 C ATOM 279 CG PRO A 18 -16.179 -0.044 -3.735 1.00 0.00 C ATOM 280 CD PRO A 18 -15.455 0.492 -4.940 1.00 0.00 C ATOM 0 HA PRO A 18 -13.846 1.993 -2.610 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -15.655 0.059 -1.659 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -16.176 1.586 -2.343 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -16.034 -1.120 -3.640 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -17.252 0.127 -3.818 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -15.367 -0.260 -5.724 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -15.974 1.346 -5.375 1.00 0.00 H new ATOM 288 N VAL A 19 -12.239 0.579 -1.501 1.00 0.00 N ATOM 289 CA VAL A 19 -11.223 -0.226 -0.815 1.00 0.00 C ATOM 290 C VAL A 19 -11.882 -1.241 0.122 1.00 0.00 C ATOM 291 O VAL A 19 -11.307 -2.278 0.451 1.00 0.00 O ATOM 292 CB VAL A 19 -10.246 0.676 -0.013 1.00 0.00 C ATOM 293 CG1 VAL A 19 -9.174 -0.150 0.698 1.00 0.00 C ATOM 294 CG2 VAL A 19 -9.605 1.713 -0.935 1.00 0.00 C ATOM 0 H VAL A 19 -12.158 1.582 -1.334 1.00 0.00 H new ATOM 0 HA VAL A 19 -10.655 -0.762 -1.575 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.822 1.195 0.754 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.508 0.515 1.249 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.650 -0.844 1.391 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -8.599 -0.711 -0.039 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.922 2.339 -0.360 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.053 1.205 -1.726 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.382 2.336 -1.378 1.00 0.00 H new ATOM 304 N ASP A 20 -13.111 -0.933 0.515 1.00 0.00 N ATOM 305 CA ASP A 20 -13.909 -1.800 1.380 1.00 0.00 C ATOM 306 C ASP A 20 -14.038 -3.220 0.811 1.00 0.00 C ATOM 307 O ASP A 20 -14.219 -4.181 1.560 1.00 0.00 O ATOM 308 CB ASP A 20 -15.300 -1.173 1.572 1.00 0.00 C ATOM 309 CG ASP A 20 -16.250 -2.034 2.393 1.00 0.00 C ATOM 310 OD1 ASP A 20 -16.036 -2.166 3.617 1.00 0.00 O ATOM 311 OD2 ASP A 20 -17.239 -2.549 1.826 1.00 0.00 O ATOM 0 H ASP A 20 -13.586 -0.072 0.243 1.00 0.00 H new ATOM 0 HA ASP A 20 -13.401 -1.887 2.341 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -15.188 -0.204 2.059 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -15.744 -0.988 0.594 1.00 0.00 H new ATOM 316 N THR A 21 -13.928 -3.355 -0.513 1.00 0.00 N ATOM 317 CA THR A 21 -14.112 -4.651 -1.167 1.00 0.00 C ATOM 318 C THR A 21 -12.801 -5.447 -1.245 1.00 0.00 C ATOM 319 O THR A 21 -12.823 -6.656 -1.483 1.00 0.00 O ATOM 320 CB THR A 21 -14.708 -4.492 -2.592 1.00 0.00 C ATOM 321 OG1 THR A 21 -15.217 -5.750 -3.061 1.00 0.00 O ATOM 322 CG2 THR A 21 -13.667 -3.977 -3.583 1.00 0.00 C ATOM 0 H THR A 21 -13.714 -2.587 -1.149 1.00 0.00 H new ATOM 0 HA THR A 21 -14.817 -5.207 -0.549 1.00 0.00 H new ATOM 0 HB THR A 21 -15.516 -3.763 -2.526 1.00 0.00 H new ATOM 0 HG1 THR A 21 -14.675 -6.479 -2.695 1.00 0.00 H new ATOM 0 HG21 THR A 21 -14.121 -3.879 -4.569 1.00 0.00 H new ATOM 0 HG22 THR A 21 -13.301 -3.005 -3.253 1.00 0.00 H new ATOM 0 HG23 THR A 21 -12.835 -4.680 -3.635 1.00 0.00 H new ATOM 330 N ILE A 22 -11.664 -4.778 -1.041 1.00 0.00 N ATOM 331 CA ILE A 22 -10.356 -5.441 -1.122 1.00 0.00 C ATOM 332 C ILE A 22 -9.774 -5.664 0.275 1.00 0.00 C ATOM 333 O ILE A 22 -10.379 -5.276 1.275 1.00 0.00 O ATOM 334 CB ILE A 22 -9.344 -4.643 -1.994 1.00 0.00 C ATOM 335 CG1 ILE A 22 -9.169 -3.213 -1.460 1.00 0.00 C ATOM 336 CG2 ILE A 22 -9.796 -4.625 -3.454 1.00 0.00 C ATOM 337 CD1 ILE A 22 -8.175 -2.376 -2.241 1.00 0.00 C ATOM 0 H ILE A 22 -11.620 -3.783 -0.820 1.00 0.00 H new ATOM 0 HA ILE A 22 -10.521 -6.405 -1.603 1.00 0.00 H new ATOM 0 HB ILE A 22 -8.377 -5.142 -1.939 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -10.137 -2.712 -1.471 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.847 -3.262 -0.420 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -9.077 -4.063 -4.050 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -9.858 -5.647 -3.828 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -10.776 -4.152 -3.526 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.111 -1.382 -1.799 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.195 -2.851 -2.209 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -8.504 -2.292 -3.277 1.00 0.00 H new ATOM 349 N ALA A 23 -8.601 -6.293 0.332 1.00 0.00 N ATOM 350 CA ALA A 23 -7.964 -6.650 1.597 1.00 0.00 C ATOM 351 C ALA A 23 -6.494 -7.003 1.373 1.00 0.00 C ATOM 352 O ALA A 23 -6.020 -7.016 0.236 1.00 0.00 O ATOM 353 CB ALA A 23 -8.699 -7.821 2.246 1.00 0.00 C ATOM 0 H ALA A 23 -8.068 -6.568 -0.493 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.015 -5.792 2.267 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.214 -8.078 3.188 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.735 -7.540 2.435 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.673 -8.682 1.578 1.00 0.00 H new ATOM 359 N ASP A 24 -5.797 -7.316 2.465 1.00 0.00 N ATOM 360 CA ASP A 24 -4.363 -7.633 2.437 1.00 0.00 C ATOM 361 C ASP A 24 -4.040 -8.744 1.438 1.00 0.00 C ATOM 362 O ASP A 24 -2.999 -8.724 0.775 1.00 0.00 O ATOM 363 CB ASP A 24 -3.889 -8.073 3.832 1.00 0.00 C ATOM 364 CG ASP A 24 -4.140 -7.029 4.907 1.00 0.00 C ATOM 365 OD1 ASP A 24 -5.321 -6.713 5.168 1.00 0.00 O ATOM 366 OD2 ASP A 24 -3.161 -6.543 5.516 1.00 0.00 O ATOM 0 H ASP A 24 -6.208 -7.358 3.397 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.844 -6.726 2.127 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.398 -8.997 4.107 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.823 -8.295 3.793 1.00 0.00 H new ATOM 371 N GLU A 25 -4.931 -9.722 1.348 1.00 0.00 N ATOM 372 CA GLU A 25 -4.704 -10.898 0.515 1.00 0.00 C ATOM 373 C GLU A 25 -5.301 -10.729 -0.880 1.00 0.00 C ATOM 374 O GLU A 25 -5.010 -11.518 -1.780 1.00 0.00 O ATOM 375 CB GLU A 25 -5.290 -12.135 1.200 1.00 0.00 C ATOM 376 CG GLU A 25 -4.665 -12.425 2.561 1.00 0.00 C ATOM 377 CD GLU A 25 -5.309 -13.606 3.262 1.00 0.00 C ATOM 378 OE1 GLU A 25 -4.872 -14.753 3.033 1.00 0.00 O ATOM 379 OE2 GLU A 25 -6.263 -13.396 4.038 1.00 0.00 O ATOM 0 H GLU A 25 -5.822 -9.725 1.844 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.628 -11.024 0.394 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.364 -11.999 1.323 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.151 -13.001 0.552 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.600 -12.620 2.433 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.753 -11.541 3.192 1.00 0.00 H new ATOM 386 N ALA A 26 -6.112 -9.692 -1.063 1.00 0.00 N ATOM 387 CA ALA A 26 -6.793 -9.466 -2.336 1.00 0.00 C ATOM 388 C ALA A 26 -5.852 -8.821 -3.352 1.00 0.00 C ATOM 389 O ALA A 26 -4.974 -8.034 -2.987 1.00 0.00 O ATOM 390 CB ALA A 26 -8.030 -8.602 -2.129 1.00 0.00 C ATOM 0 H ALA A 26 -6.315 -8.994 -0.347 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.105 -10.432 -2.732 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.527 -8.442 -3.086 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.714 -9.104 -1.445 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.736 -7.641 -1.708 1.00 0.00 H new ATOM 396 N ASP A 27 -6.035 -9.160 -4.623 1.00 0.00 N ATOM 397 CA ASP A 27 -5.215 -8.601 -5.694 1.00 0.00 C ATOM 398 C ASP A 27 -5.658 -7.174 -6.001 1.00 0.00 C ATOM 399 O ASP A 27 -6.636 -6.955 -6.716 1.00 0.00 O ATOM 400 CB ASP A 27 -5.298 -9.471 -6.957 1.00 0.00 C ATOM 401 CG ASP A 27 -4.696 -10.854 -6.756 1.00 0.00 C ATOM 402 OD1 ASP A 27 -5.392 -11.740 -6.218 1.00 0.00 O ATOM 403 OD2 ASP A 27 -3.525 -11.063 -7.140 1.00 0.00 O ATOM 0 H ASP A 27 -6.745 -9.821 -4.939 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.177 -8.585 -5.362 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.341 -9.573 -7.255 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.780 -8.969 -7.774 1.00 0.00 H new ATOM 408 N LEU A 28 -4.935 -6.210 -5.440 1.00 0.00 N ATOM 409 CA LEU A 28 -5.282 -4.792 -5.560 1.00 0.00 C ATOM 410 C LEU A 28 -5.446 -4.370 -7.022 1.00 0.00 C ATOM 411 O LEU A 28 -6.385 -3.649 -7.373 1.00 0.00 O ATOM 412 CB LEU A 28 -4.205 -3.925 -4.899 1.00 0.00 C ATOM 413 CG LEU A 28 -3.810 -4.330 -3.471 1.00 0.00 C ATOM 414 CD1 LEU A 28 -2.746 -3.381 -2.925 1.00 0.00 C ATOM 415 CD2 LEU A 28 -5.033 -4.363 -2.559 1.00 0.00 C ATOM 0 H LEU A 28 -4.094 -6.385 -4.890 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.236 -4.647 -5.053 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.312 -3.947 -5.524 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.555 -2.893 -4.881 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.389 -5.335 -3.501 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.476 -3.681 -1.912 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.863 -3.420 -3.562 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.138 -2.364 -2.910 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.729 -4.652 -1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.492 -3.375 -2.529 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.753 -5.086 -2.942 1.00 0.00 H new ATOM 427 N TYR A 29 -4.527 -4.820 -7.875 1.00 0.00 N ATOM 428 CA TYR A 29 -4.551 -4.450 -9.289 1.00 0.00 C ATOM 429 C TYR A 29 -5.813 -4.976 -9.971 1.00 0.00 C ATOM 430 O TYR A 29 -6.279 -4.400 -10.952 1.00 0.00 O ATOM 431 CB TYR A 29 -3.289 -4.946 -10.014 1.00 0.00 C ATOM 432 CG TYR A 29 -3.064 -6.448 -9.945 1.00 0.00 C ATOM 433 CD1 TYR A 29 -2.391 -7.018 -8.872 1.00 0.00 C ATOM 434 CD2 TYR A 29 -3.515 -7.292 -10.957 1.00 0.00 C ATOM 435 CE1 TYR A 29 -2.173 -8.379 -8.807 1.00 0.00 C ATOM 436 CE2 TYR A 29 -3.302 -8.656 -10.897 1.00 0.00 C ATOM 437 CZ TYR A 29 -2.630 -9.195 -9.821 1.00 0.00 C ATOM 438 OH TYR A 29 -2.414 -10.552 -9.757 1.00 0.00 O ATOM 0 H TYR A 29 -3.760 -5.439 -7.613 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.564 -3.362 -9.347 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.348 -4.649 -11.061 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -2.421 -4.443 -9.589 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -2.032 -6.385 -8.074 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.040 -6.873 -11.803 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.646 -8.804 -7.965 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -3.660 -9.297 -11.689 1.00 0.00 H new ATOM 0 HH TYR A 29 -2.744 -10.896 -8.901 1.00 0.00 H new ATOM 448 N ALA A 30 -6.376 -6.055 -9.430 1.00 0.00 N ATOM 449 CA ALA A 30 -7.608 -6.626 -9.966 1.00 0.00 C ATOM 450 C ALA A 30 -8.791 -5.703 -9.675 1.00 0.00 C ATOM 451 O ALA A 30 -9.762 -5.664 -10.430 1.00 0.00 O ATOM 452 CB ALA A 30 -7.852 -8.017 -9.391 1.00 0.00 C ATOM 0 H ALA A 30 -5.998 -6.550 -8.622 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.504 -6.722 -11.047 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.775 -8.424 -9.803 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.019 -8.670 -9.652 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.937 -7.953 -8.306 1.00 0.00 H new ATOM 458 N ALA A 31 -8.697 -4.959 -8.573 1.00 0.00 N ATOM 459 CA ALA A 31 -9.713 -3.970 -8.222 1.00 0.00 C ATOM 460 C ALA A 31 -9.552 -2.723 -9.084 1.00 0.00 C ATOM 461 O ALA A 31 -10.501 -1.966 -9.289 1.00 0.00 O ATOM 462 CB ALA A 31 -9.621 -3.613 -6.744 1.00 0.00 C ATOM 0 H ALA A 31 -7.926 -5.023 -7.908 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.697 -4.399 -8.410 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.385 -2.875 -6.500 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.776 -4.509 -6.143 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.635 -3.199 -6.530 1.00 0.00 H new ATOM 468 N GLY A 32 -8.338 -2.519 -9.584 1.00 0.00 N ATOM 469 CA GLY A 32 -8.062 -1.399 -10.472 1.00 0.00 C ATOM 470 C GLY A 32 -7.028 -0.444 -9.908 1.00 0.00 C ATOM 471 O GLY A 32 -7.059 0.755 -10.196 1.00 0.00 O ATOM 0 H GLY A 32 -7.532 -3.114 -9.389 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.713 -1.780 -11.432 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.987 -0.855 -10.662 1.00 0.00 H new ATOM 475 N LEU A 33 -6.112 -0.970 -9.092 1.00 0.00 N ATOM 476 CA LEU A 33 -5.035 -0.158 -8.528 1.00 0.00 C ATOM 477 C LEU A 33 -4.177 0.425 -9.647 1.00 0.00 C ATOM 478 O LEU A 33 -3.427 -0.296 -10.308 1.00 0.00 O ATOM 479 CB LEU A 33 -4.163 -0.988 -7.573 1.00 0.00 C ATOM 480 CG LEU A 33 -3.019 -0.213 -6.887 1.00 0.00 C ATOM 481 CD1 LEU A 33 -3.570 0.899 -5.995 1.00 0.00 C ATOM 482 CD2 LEU A 33 -2.126 -1.158 -6.086 1.00 0.00 C ATOM 0 H LEU A 33 -6.095 -1.950 -8.809 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.484 0.657 -7.960 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.803 -1.417 -6.802 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.733 -1.821 -8.130 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.412 0.249 -7.666 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.743 1.430 -5.523 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.151 1.596 -6.599 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.209 0.465 -5.226 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.327 -0.589 -5.612 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.719 -1.658 -5.320 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.694 -1.903 -6.754 1.00 0.00 H new ATOM 494 N SER A 34 -4.314 1.726 -9.868 1.00 0.00 N ATOM 495 CA SER A 34 -3.563 2.416 -10.907 1.00 0.00 C ATOM 496 C SER A 34 -2.305 3.049 -10.312 1.00 0.00 C ATOM 497 O SER A 34 -2.213 3.234 -9.092 1.00 0.00 O ATOM 498 CB SER A 34 -4.451 3.480 -11.559 1.00 0.00 C ATOM 499 OG SER A 34 -5.682 2.916 -11.994 1.00 0.00 O ATOM 0 H SER A 34 -4.943 2.328 -9.337 1.00 0.00 H new ATOM 0 HA SER A 34 -3.256 1.701 -11.670 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.645 4.283 -10.848 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.930 3.924 -12.407 1.00 0.00 H new ATOM 0 HG SER A 34 -6.234 3.613 -12.406 1.00 0.00 H new ATOM 505 N SER A 35 -1.349 3.380 -11.178 1.00 0.00 N ATOM 506 CA SER A 35 -0.066 3.938 -10.757 1.00 0.00 C ATOM 507 C SER A 35 -0.262 5.146 -9.838 1.00 0.00 C ATOM 508 O SER A 35 0.415 5.275 -8.815 1.00 0.00 O ATOM 509 CB SER A 35 0.759 4.328 -11.991 1.00 0.00 C ATOM 510 OG SER A 35 0.006 5.153 -12.870 1.00 0.00 O ATOM 0 H SER A 35 -1.442 3.269 -12.188 1.00 0.00 H new ATOM 0 HA SER A 35 0.473 3.178 -10.192 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.661 4.853 -11.678 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.080 3.429 -12.517 1.00 0.00 H new ATOM 0 HG SER A 35 0.554 5.389 -13.647 1.00 0.00 H new ATOM 516 N PHE A 36 -1.212 6.006 -10.195 1.00 0.00 N ATOM 517 CA PHE A 36 -1.494 7.222 -9.431 1.00 0.00 C ATOM 518 C PHE A 36 -1.752 6.898 -7.958 1.00 0.00 C ATOM 519 O PHE A 36 -1.114 7.456 -7.064 1.00 0.00 O ATOM 520 CB PHE A 36 -2.709 7.949 -10.025 1.00 0.00 C ATOM 521 CG PHE A 36 -2.608 8.190 -11.512 1.00 0.00 C ATOM 522 CD1 PHE A 36 -1.857 9.244 -12.011 1.00 0.00 C ATOM 523 CD2 PHE A 36 -3.265 7.357 -12.410 1.00 0.00 C ATOM 524 CE1 PHE A 36 -1.764 9.464 -13.373 1.00 0.00 C ATOM 525 CE2 PHE A 36 -3.173 7.574 -13.772 1.00 0.00 C ATOM 526 CZ PHE A 36 -2.423 8.628 -14.254 1.00 0.00 C ATOM 0 H PHE A 36 -1.805 5.883 -11.016 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.620 7.870 -9.492 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.606 7.364 -9.821 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.831 8.907 -9.519 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.339 9.901 -11.328 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.854 6.531 -12.039 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.176 10.289 -13.748 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.688 6.919 -14.459 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.351 8.799 -15.318 1.00 0.00 H new ATOM 536 N ALA A 37 -2.673 5.967 -7.718 1.00 0.00 N ATOM 537 CA ALA A 37 -3.035 5.564 -6.361 1.00 0.00 C ATOM 538 C ALA A 37 -1.847 4.939 -5.632 1.00 0.00 C ATOM 539 O ALA A 37 -1.567 5.273 -4.477 1.00 0.00 O ATOM 540 CB ALA A 37 -4.208 4.588 -6.388 1.00 0.00 C ATOM 0 H ALA A 37 -3.185 5.475 -8.450 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.333 6.460 -5.817 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.464 4.299 -5.369 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.068 5.066 -6.856 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.931 3.701 -6.958 1.00 0.00 H new ATOM 546 N SER A 38 -1.146 4.041 -6.317 1.00 0.00 N ATOM 547 CA SER A 38 -0.051 3.298 -5.706 1.00 0.00 C ATOM 548 C SER A 38 1.112 4.220 -5.331 1.00 0.00 C ATOM 549 O SER A 38 1.806 3.981 -4.344 1.00 0.00 O ATOM 550 CB SER A 38 0.417 2.175 -6.640 1.00 0.00 C ATOM 551 OG SER A 38 0.694 2.662 -7.942 1.00 0.00 O ATOM 0 H SER A 38 -1.317 3.811 -7.296 1.00 0.00 H new ATOM 0 HA SER A 38 -0.420 2.850 -4.783 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.311 1.707 -6.228 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.350 1.403 -6.695 1.00 0.00 H new ATOM 0 HG SER A 38 0.647 3.641 -7.942 1.00 0.00 H new ATOM 557 N VAL A 39 1.315 5.277 -6.114 1.00 0.00 N ATOM 558 CA VAL A 39 2.380 6.237 -5.836 1.00 0.00 C ATOM 559 C VAL A 39 1.966 7.168 -4.700 1.00 0.00 C ATOM 560 O VAL A 39 2.750 7.447 -3.792 1.00 0.00 O ATOM 561 CB VAL A 39 2.745 7.073 -7.094 1.00 0.00 C ATOM 562 CG1 VAL A 39 3.786 8.145 -6.763 1.00 0.00 C ATOM 563 CG2 VAL A 39 3.253 6.165 -8.213 1.00 0.00 C ATOM 0 H VAL A 39 0.759 5.490 -6.942 1.00 0.00 H new ATOM 0 HA VAL A 39 3.263 5.671 -5.541 1.00 0.00 H new ATOM 0 HB VAL A 39 1.840 7.575 -7.436 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.021 8.714 -7.663 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.387 8.817 -6.003 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.692 7.669 -6.387 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.504 6.768 -9.086 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.141 5.631 -7.874 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.477 5.447 -8.479 1.00 0.00 H new ATOM 573 N GLN A 40 0.717 7.618 -4.743 1.00 0.00 N ATOM 574 CA GLN A 40 0.193 8.538 -3.738 1.00 0.00 C ATOM 575 C GLN A 40 0.291 7.929 -2.339 1.00 0.00 C ATOM 576 O GLN A 40 0.629 8.614 -1.369 1.00 0.00 O ATOM 577 CB GLN A 40 -1.267 8.893 -4.056 1.00 0.00 C ATOM 578 CG GLN A 40 -1.865 9.956 -3.141 1.00 0.00 C ATOM 579 CD GLN A 40 -1.186 11.306 -3.296 1.00 0.00 C ATOM 580 OE1 GLN A 40 -0.212 11.614 -2.610 1.00 0.00 O ATOM 581 NE2 GLN A 40 -1.690 12.120 -4.209 1.00 0.00 N ATOM 0 H GLN A 40 0.045 7.360 -5.466 1.00 0.00 H new ATOM 0 HA GLN A 40 0.794 9.447 -3.760 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.328 9.241 -5.087 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.872 7.989 -3.988 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.928 10.061 -3.357 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.781 9.628 -2.105 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.499 11.831 -4.759 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.270 13.037 -4.363 1.00 0.00 H new ATOM 590 N LEU A 41 0.014 6.629 -2.245 1.00 0.00 N ATOM 591 CA LEU A 41 0.027 5.935 -0.960 1.00 0.00 C ATOM 592 C LEU A 41 1.429 5.985 -0.345 1.00 0.00 C ATOM 593 O LEU A 41 1.578 5.975 0.876 1.00 0.00 O ATOM 594 CB LEU A 41 -0.476 4.478 -1.126 1.00 0.00 C ATOM 595 CG LEU A 41 0.591 3.387 -1.378 1.00 0.00 C ATOM 596 CD1 LEU A 41 1.133 2.830 -0.063 1.00 0.00 C ATOM 597 CD2 LEU A 41 0.022 2.255 -2.230 1.00 0.00 C ATOM 0 H LEU A 41 -0.221 6.037 -3.042 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.654 6.440 -0.275 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.030 4.207 -0.227 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.183 4.457 -1.955 1.00 0.00 H new ATOM 0 HG LEU A 41 1.414 3.853 -1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.881 2.065 -0.273 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.589 3.635 0.513 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.316 2.391 0.510 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.791 1.500 -2.393 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.826 1.803 -1.715 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.306 2.652 -3.191 1.00 0.00 H new ATOM 609 N MET A 42 2.449 6.068 -1.198 1.00 0.00 N ATOM 610 CA MET A 42 3.837 6.099 -0.742 1.00 0.00 C ATOM 611 C MET A 42 4.112 7.404 -0.001 1.00 0.00 C ATOM 612 O MET A 42 4.540 7.402 1.154 1.00 0.00 O ATOM 613 CB MET A 42 4.805 5.971 -1.928 1.00 0.00 C ATOM 614 CG MET A 42 4.481 4.824 -2.876 1.00 0.00 C ATOM 615 SD MET A 42 5.648 4.713 -4.249 1.00 0.00 S ATOM 616 CE MET A 42 4.908 3.409 -5.231 1.00 0.00 C ATOM 0 H MET A 42 2.339 6.115 -2.211 1.00 0.00 H new ATOM 0 HA MET A 42 3.994 5.255 -0.070 1.00 0.00 H new ATOM 0 HB2 MET A 42 4.799 6.905 -2.490 1.00 0.00 H new ATOM 0 HB3 MET A 42 5.816 5.836 -1.544 1.00 0.00 H new ATOM 0 HG2 MET A 42 4.487 3.886 -2.321 1.00 0.00 H new ATOM 0 HG3 MET A 42 3.473 4.956 -3.270 1.00 0.00 H new ATOM 0 HE1 MET A 42 5.689 2.748 -5.607 1.00 0.00 H new ATOM 0 HE2 MET A 42 4.215 2.837 -4.614 1.00 0.00 H new ATOM 0 HE3 MET A 42 4.369 3.847 -6.071 1.00 0.00 H new ATOM 626 N LEU A 43 3.835 8.515 -0.680 1.00 0.00 N ATOM 627 CA LEU A 43 4.084 9.849 -0.134 1.00 0.00 C ATOM 628 C LEU A 43 3.367 10.031 1.202 1.00 0.00 C ATOM 629 O LEU A 43 3.936 10.565 2.158 1.00 0.00 O ATOM 630 CB LEU A 43 3.628 10.935 -1.125 1.00 0.00 C ATOM 631 CG LEU A 43 4.537 11.157 -2.352 1.00 0.00 C ATOM 632 CD1 LEU A 43 4.647 9.899 -3.209 1.00 0.00 C ATOM 633 CD2 LEU A 43 4.028 12.329 -3.188 1.00 0.00 C ATOM 0 H LEU A 43 3.434 8.518 -1.618 1.00 0.00 H new ATOM 0 HA LEU A 43 5.157 9.949 0.029 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.629 10.679 -1.479 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.543 11.878 -0.586 1.00 0.00 H new ATOM 0 HG LEU A 43 5.535 11.393 -1.983 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.295 10.096 -4.063 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.067 9.089 -2.613 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.657 9.613 -3.564 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.680 12.472 -4.049 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.015 12.118 -3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.025 13.234 -2.581 1.00 0.00 H new ATOM 645 N GLY A 44 2.118 9.583 1.260 1.00 0.00 N ATOM 646 CA GLY A 44 1.338 9.717 2.474 1.00 0.00 C ATOM 647 C GLY A 44 1.838 8.814 3.588 1.00 0.00 C ATOM 648 O GLY A 44 1.857 9.205 4.757 1.00 0.00 O ATOM 0 H GLY A 44 1.632 9.129 0.487 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.369 10.754 2.809 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.295 9.482 2.260 1.00 0.00 H new ATOM 652 N ILE A 45 2.245 7.600 3.224 1.00 0.00 N ATOM 653 CA ILE A 45 2.718 6.618 4.196 1.00 0.00 C ATOM 654 C ILE A 45 4.064 7.032 4.791 1.00 0.00 C ATOM 655 O ILE A 45 4.358 6.722 5.951 1.00 0.00 O ATOM 656 CB ILE A 45 2.790 5.190 3.565 1.00 0.00 C ATOM 657 CG1 ILE A 45 1.484 4.421 3.843 1.00 0.00 C ATOM 658 CG2 ILE A 45 4.006 4.397 4.047 1.00 0.00 C ATOM 659 CD1 ILE A 45 1.175 4.252 5.318 1.00 0.00 C ATOM 0 H ILE A 45 2.256 7.272 2.258 1.00 0.00 H new ATOM 0 HA ILE A 45 1.995 6.583 5.011 1.00 0.00 H new ATOM 0 HB ILE A 45 2.908 5.314 2.489 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.656 4.945 3.366 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.547 3.436 3.380 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.008 3.413 3.578 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.918 4.929 3.777 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.960 4.283 5.130 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.241 3.702 5.433 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.983 3.700 5.798 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.078 5.233 5.784 1.00 0.00 H new ATOM 671 N GLU A 46 4.859 7.756 4.006 1.00 0.00 N ATOM 672 CA GLU A 46 6.155 8.248 4.469 1.00 0.00 C ATOM 673 C GLU A 46 5.996 9.022 5.775 1.00 0.00 C ATOM 674 O GLU A 46 6.617 8.699 6.788 1.00 0.00 O ATOM 675 CB GLU A 46 6.794 9.147 3.401 1.00 0.00 C ATOM 676 CG GLU A 46 8.164 9.692 3.791 1.00 0.00 C ATOM 677 CD GLU A 46 8.754 10.607 2.731 1.00 0.00 C ATOM 678 OE1 GLU A 46 8.489 11.830 2.779 1.00 0.00 O ATOM 679 OE2 GLU A 46 9.485 10.108 1.846 1.00 0.00 O ATOM 0 H GLU A 46 4.629 8.015 3.047 1.00 0.00 H new ATOM 0 HA GLU A 46 6.806 7.392 4.647 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.889 8.582 2.474 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.126 9.984 3.197 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.079 10.238 4.730 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.845 8.859 3.967 1.00 0.00 H new ATOM 686 N GLU A 47 5.139 10.032 5.750 1.00 0.00 N ATOM 687 CA GLU A 47 4.872 10.844 6.932 1.00 0.00 C ATOM 688 C GLU A 47 4.048 10.063 7.958 1.00 0.00 C ATOM 689 O GLU A 47 4.156 10.302 9.163 1.00 0.00 O ATOM 690 CB GLU A 47 4.159 12.147 6.546 1.00 0.00 C ATOM 691 CG GLU A 47 2.848 11.935 5.802 1.00 0.00 C ATOM 692 CD GLU A 47 2.162 13.242 5.446 1.00 0.00 C ATOM 693 OE1 GLU A 47 1.382 13.754 6.277 1.00 0.00 O ATOM 694 OE2 GLU A 47 2.402 13.760 4.334 1.00 0.00 O ATOM 0 H GLU A 47 4.614 10.311 4.921 1.00 0.00 H new ATOM 0 HA GLU A 47 5.829 11.098 7.389 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.963 12.724 7.450 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.826 12.744 5.924 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.039 11.369 4.890 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.179 11.333 6.417 1.00 0.00 H new ATOM 701 N ALA A 48 3.221 9.135 7.471 1.00 0.00 N ATOM 702 CA ALA A 48 2.273 8.415 8.322 1.00 0.00 C ATOM 703 C ALA A 48 2.954 7.757 9.524 1.00 0.00 C ATOM 704 O ALA A 48 2.505 7.939 10.658 1.00 0.00 O ATOM 705 CB ALA A 48 1.513 7.374 7.507 1.00 0.00 C ATOM 0 H ALA A 48 3.189 8.864 6.488 1.00 0.00 H new ATOM 0 HA ALA A 48 1.569 9.150 8.713 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.812 6.847 8.154 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.965 7.869 6.705 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.218 6.661 7.079 1.00 0.00 H new ATOM 711 N PHE A 49 4.032 6.999 9.299 1.00 0.00 N ATOM 712 CA PHE A 49 4.729 6.356 10.420 1.00 0.00 C ATOM 713 C PHE A 49 6.240 6.602 10.428 1.00 0.00 C ATOM 714 O PHE A 49 6.833 6.710 11.506 1.00 0.00 O ATOM 715 CB PHE A 49 4.426 4.849 10.474 1.00 0.00 C ATOM 716 CG PHE A 49 4.800 4.067 9.237 1.00 0.00 C ATOM 717 CD1 PHE A 49 6.092 3.585 9.060 1.00 0.00 C ATOM 718 CD2 PHE A 49 3.849 3.786 8.267 1.00 0.00 C ATOM 719 CE1 PHE A 49 6.424 2.845 7.941 1.00 0.00 C ATOM 720 CE2 PHE A 49 4.177 3.043 7.151 1.00 0.00 C ATOM 721 CZ PHE A 49 5.466 2.574 6.985 1.00 0.00 C ATOM 0 H PHE A 49 4.433 6.818 8.379 1.00 0.00 H new ATOM 0 HA PHE A 49 4.337 6.830 11.320 1.00 0.00 H new ATOM 0 HB2 PHE A 49 4.952 4.420 11.327 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.360 4.717 10.658 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.845 3.791 9.806 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.840 4.153 8.386 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.432 2.479 7.815 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.425 2.828 6.406 1.00 0.00 H new ATOM 0 HZ PHE A 49 5.723 1.997 6.109 1.00 0.00 H new ATOM 731 N ASP A 50 6.871 6.709 9.253 1.00 0.00 N ATOM 732 CA ASP A 50 8.333 6.858 9.202 1.00 0.00 C ATOM 733 C ASP A 50 8.842 7.096 7.777 1.00 0.00 C ATOM 734 O ASP A 50 9.269 8.206 7.444 1.00 0.00 O ATOM 735 CB ASP A 50 9.019 5.620 9.807 1.00 0.00 C ATOM 736 CG ASP A 50 10.519 5.795 9.969 1.00 0.00 C ATOM 737 OD1 ASP A 50 10.944 6.785 10.606 1.00 0.00 O ATOM 738 OD2 ASP A 50 11.282 4.937 9.488 1.00 0.00 O ATOM 0 H ASP A 50 6.408 6.696 8.344 1.00 0.00 H new ATOM 0 HA ASP A 50 8.587 7.739 9.792 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.576 5.405 10.780 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.826 4.756 9.171 1.00 0.00 H new ATOM 743 N ILE A 51 8.798 6.061 6.934 1.00 0.00 N ATOM 744 CA ILE A 51 9.306 6.157 5.559 1.00 0.00 C ATOM 745 C ILE A 51 8.355 5.480 4.576 1.00 0.00 C ATOM 746 O ILE A 51 7.402 4.808 4.980 1.00 0.00 O ATOM 747 CB ILE A 51 10.723 5.523 5.385 1.00 0.00 C ATOM 748 CG1 ILE A 51 10.681 3.976 5.463 1.00 0.00 C ATOM 749 CG2 ILE A 51 11.709 6.087 6.407 1.00 0.00 C ATOM 750 CD1 ILE A 51 10.249 3.405 6.801 1.00 0.00 C ATOM 0 H ILE A 51 8.417 5.147 7.177 1.00 0.00 H new ATOM 0 HA ILE A 51 9.378 7.224 5.348 1.00 0.00 H new ATOM 0 HB ILE A 51 11.070 5.791 4.387 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.002 3.608 4.694 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.672 3.590 5.225 1.00 0.00 H new ATOM 0 HG21 ILE A 51 12.687 5.627 6.262 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.792 7.166 6.275 1.00 0.00 H new ATOM 0 HG23 ILE A 51 11.353 5.871 7.414 1.00 0.00 H new ATOM 0 HD11 ILE A 51 10.253 2.316 6.750 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.939 3.735 7.577 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.244 3.753 7.038 1.00 0.00 H new ATOM 762 N GLU A 52 8.622 5.669 3.284 1.00 0.00 N ATOM 763 CA GLU A 52 7.876 4.992 2.227 1.00 0.00 C ATOM 764 C GLU A 52 8.699 3.847 1.639 1.00 0.00 C ATOM 765 O GLU A 52 9.893 3.717 1.922 1.00 0.00 O ATOM 766 CB GLU A 52 7.419 5.982 1.134 1.00 0.00 C ATOM 767 CG GLU A 52 8.419 7.080 0.771 1.00 0.00 C ATOM 768 CD GLU A 52 9.684 6.573 0.095 1.00 0.00 C ATOM 769 OE1 GLU A 52 9.622 6.215 -1.098 1.00 0.00 O ATOM 770 OE2 GLU A 52 10.751 6.562 0.747 1.00 0.00 O ATOM 0 H GLU A 52 9.356 6.291 2.944 1.00 0.00 H new ATOM 0 HA GLU A 52 6.975 4.567 2.668 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.186 5.416 0.232 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.493 6.454 1.462 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.930 7.797 0.111 1.00 0.00 H new ATOM 0 HG3 GLU A 52 8.696 7.618 1.678 1.00 0.00 H new ATOM 777 N PHE A 53 8.044 3.010 0.844 1.00 0.00 N ATOM 778 CA PHE A 53 8.663 1.804 0.300 1.00 0.00 C ATOM 779 C PHE A 53 9.881 2.131 -0.570 1.00 0.00 C ATOM 780 O PHE A 53 9.791 2.942 -1.493 1.00 0.00 O ATOM 781 CB PHE A 53 7.634 1.014 -0.512 1.00 0.00 C ATOM 782 CG PHE A 53 6.462 0.541 0.309 1.00 0.00 C ATOM 783 CD1 PHE A 53 6.652 -0.343 1.362 1.00 0.00 C ATOM 784 CD2 PHE A 53 5.176 0.983 0.034 1.00 0.00 C ATOM 785 CE1 PHE A 53 5.584 -0.775 2.124 1.00 0.00 C ATOM 786 CE2 PHE A 53 4.105 0.554 0.794 1.00 0.00 C ATOM 787 CZ PHE A 53 4.310 -0.327 1.838 1.00 0.00 C ATOM 0 H PHE A 53 7.074 3.145 0.558 1.00 0.00 H new ATOM 0 HA PHE A 53 9.011 1.200 1.138 1.00 0.00 H new ATOM 0 HB2 PHE A 53 7.269 1.638 -1.328 1.00 0.00 H new ATOM 0 HB3 PHE A 53 8.123 0.152 -0.965 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.647 -0.697 1.588 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.010 1.670 -0.783 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.745 -1.462 2.942 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.109 0.907 0.572 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.473 -0.665 2.431 1.00 0.00 H new ATOM 797 N PRO A 54 11.035 1.493 -0.288 1.00 0.00 N ATOM 798 CA PRO A 54 12.268 1.700 -1.057 1.00 0.00 C ATOM 799 C PRO A 54 12.191 1.078 -2.450 1.00 0.00 C ATOM 800 O PRO A 54 11.420 0.140 -2.683 1.00 0.00 O ATOM 801 CB PRO A 54 13.336 0.998 -0.209 1.00 0.00 C ATOM 802 CG PRO A 54 12.585 -0.076 0.495 1.00 0.00 C ATOM 803 CD PRO A 54 11.233 0.516 0.803 1.00 0.00 C ATOM 0 HA PRO A 54 12.472 2.757 -1.230 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.133 0.588 -0.829 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.803 1.686 0.495 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.492 -0.964 -0.130 1.00 0.00 H new ATOM 0 HG3 PRO A 54 13.098 -0.380 1.407 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.452 -0.245 0.809 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.217 0.996 1.781 1.00 0.00 H new ATOM 811 N ASP A 55 13.013 1.591 -3.360 1.00 0.00 N ATOM 812 CA ASP A 55 13.046 1.133 -4.751 1.00 0.00 C ATOM 813 C ASP A 55 13.223 -0.382 -4.827 1.00 0.00 C ATOM 814 O ASP A 55 12.634 -1.045 -5.682 1.00 0.00 O ATOM 815 CB ASP A 55 14.187 1.825 -5.508 1.00 0.00 C ATOM 816 CG ASP A 55 15.564 1.417 -4.998 1.00 0.00 C ATOM 817 OD1 ASP A 55 15.814 1.549 -3.781 1.00 0.00 O ATOM 818 OD2 ASP A 55 16.404 0.974 -5.810 1.00 0.00 O ATOM 0 H ASP A 55 13.678 2.338 -3.157 1.00 0.00 H new ATOM 0 HA ASP A 55 12.094 1.393 -5.213 1.00 0.00 H new ATOM 0 HB2 ASP A 55 14.111 1.586 -6.569 1.00 0.00 H new ATOM 0 HB3 ASP A 55 14.076 2.905 -5.416 1.00 0.00 H new ATOM 823 N ASN A 56 14.007 -0.917 -3.896 1.00 0.00 N ATOM 824 CA ASN A 56 14.358 -2.340 -3.879 1.00 0.00 C ATOM 825 C ASN A 56 13.136 -3.248 -3.694 1.00 0.00 C ATOM 826 O ASN A 56 13.264 -4.473 -3.745 1.00 0.00 O ATOM 827 CB ASN A 56 15.392 -2.628 -2.778 1.00 0.00 C ATOM 828 CG ASN A 56 16.694 -1.872 -2.988 1.00 0.00 C ATOM 829 OD1 ASN A 56 17.586 -2.327 -3.706 1.00 0.00 O ATOM 830 ND2 ASN A 56 16.821 -0.713 -2.354 1.00 0.00 N ATOM 0 H ASN A 56 14.418 -0.381 -3.132 1.00 0.00 H new ATOM 0 HA ASN A 56 14.788 -2.566 -4.855 1.00 0.00 H new ATOM 0 HB2 ASN A 56 14.971 -2.358 -1.810 1.00 0.00 H new ATOM 0 HB3 ASN A 56 15.598 -3.698 -2.749 1.00 0.00 H new ATOM 0 HD21 ASN A 56 17.678 -0.169 -2.453 1.00 0.00 H new ATOM 0 HD22 ASN A 56 16.062 -0.367 -1.768 1.00 0.00 H new ATOM 837 N LEU A 57 11.959 -2.666 -3.456 1.00 0.00 N ATOM 838 CA LEU A 57 10.732 -3.461 -3.369 1.00 0.00 C ATOM 839 C LEU A 57 9.539 -2.735 -3.998 1.00 0.00 C ATOM 840 O LEU A 57 8.392 -3.143 -3.817 1.00 0.00 O ATOM 841 CB LEU A 57 10.446 -3.853 -1.905 1.00 0.00 C ATOM 842 CG LEU A 57 10.167 -2.697 -0.922 1.00 0.00 C ATOM 843 CD1 LEU A 57 8.699 -2.275 -0.964 1.00 0.00 C ATOM 844 CD2 LEU A 57 10.573 -3.089 0.496 1.00 0.00 C ATOM 0 H LEU A 57 11.829 -1.663 -3.322 1.00 0.00 H new ATOM 0 HA LEU A 57 10.884 -4.375 -3.943 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.587 -4.524 -1.894 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.299 -4.420 -1.531 1.00 0.00 H new ATOM 0 HG LEU A 57 10.769 -1.842 -1.232 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.535 -1.459 -0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.444 -1.943 -1.971 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.069 -3.122 -0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.369 -2.261 1.175 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.003 -3.964 0.809 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.637 -3.322 0.518 1.00 0.00 H new ATOM 856 N LEU A 58 9.807 -1.687 -4.778 1.00 0.00 N ATOM 857 CA LEU A 58 8.741 -0.944 -5.471 1.00 0.00 C ATOM 858 C LEU A 58 8.234 -1.710 -6.700 1.00 0.00 C ATOM 859 O LEU A 58 7.794 -1.106 -7.682 1.00 0.00 O ATOM 860 CB LEU A 58 9.228 0.454 -5.895 1.00 0.00 C ATOM 861 CG LEU A 58 9.401 1.477 -4.761 1.00 0.00 C ATOM 862 CD1 LEU A 58 9.890 2.818 -5.309 1.00 0.00 C ATOM 863 CD2 LEU A 58 8.093 1.655 -3.993 1.00 0.00 C ATOM 0 H LEU A 58 10.747 -1.331 -4.949 1.00 0.00 H new ATOM 0 HA LEU A 58 7.916 -0.833 -4.767 1.00 0.00 H new ATOM 0 HB2 LEU A 58 10.183 0.345 -6.408 1.00 0.00 H new ATOM 0 HB3 LEU A 58 8.522 0.859 -6.619 1.00 0.00 H new ATOM 0 HG LEU A 58 10.155 1.096 -4.072 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.005 3.526 -4.488 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.850 2.680 -5.806 1.00 0.00 H new ATOM 0 HD13 LEU A 58 9.164 3.206 -6.024 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.236 2.383 -3.194 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.318 2.009 -4.672 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.790 0.700 -3.563 1.00 0.00 H new ATOM 875 N ASN A 59 8.269 -3.038 -6.631 1.00 0.00 N ATOM 876 CA ASN A 59 7.814 -3.884 -7.728 1.00 0.00 C ATOM 877 C ASN A 59 6.307 -4.100 -7.628 1.00 0.00 C ATOM 878 O ASN A 59 5.760 -4.194 -6.524 1.00 0.00 O ATOM 879 CB ASN A 59 8.544 -5.238 -7.705 1.00 0.00 C ATOM 880 CG ASN A 59 10.019 -5.152 -8.086 1.00 0.00 C ATOM 881 OD1 ASN A 59 10.564 -6.077 -8.687 1.00 0.00 O ATOM 882 ND2 ASN A 59 10.682 -4.059 -7.728 1.00 0.00 N ATOM 0 H ASN A 59 8.611 -3.554 -5.820 1.00 0.00 H new ATOM 0 HA ASN A 59 8.042 -3.385 -8.670 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.461 -5.667 -6.707 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.042 -5.922 -8.389 1.00 0.00 H new ATOM 0 HD21 ASN A 59 11.673 -3.968 -7.950 1.00 0.00 H new ATOM 0 HD22 ASN A 59 10.200 -3.310 -7.231 1.00 0.00 H new ATOM 889 N ARG A 60 5.640 -4.187 -8.777 1.00 0.00 N ATOM 890 CA ARG A 60 4.185 -4.343 -8.820 1.00 0.00 C ATOM 891 C ARG A 60 3.747 -5.634 -8.124 1.00 0.00 C ATOM 892 O ARG A 60 2.628 -5.721 -7.616 1.00 0.00 O ATOM 893 CB ARG A 60 3.682 -4.318 -10.274 1.00 0.00 C ATOM 894 CG ARG A 60 4.229 -5.445 -11.144 1.00 0.00 C ATOM 895 CD ARG A 60 3.821 -5.295 -12.607 1.00 0.00 C ATOM 896 NE ARG A 60 2.369 -5.352 -12.790 1.00 0.00 N ATOM 897 CZ ARG A 60 1.766 -5.472 -13.975 1.00 0.00 C ATOM 898 NH1 ARG A 60 2.480 -5.561 -15.091 1.00 0.00 N ATOM 899 NH2 ARG A 60 0.443 -5.511 -14.040 1.00 0.00 N ATOM 0 H ARG A 60 6.085 -4.152 -9.694 1.00 0.00 H new ATOM 0 HA ARG A 60 3.742 -3.504 -8.284 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.593 -4.372 -10.271 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.953 -3.363 -10.724 1.00 0.00 H new ATOM 0 HG2 ARG A 60 5.316 -5.462 -11.072 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.869 -6.402 -10.765 1.00 0.00 H new ATOM 0 HD2 ARG A 60 4.196 -4.346 -12.991 1.00 0.00 H new ATOM 0 HD3 ARG A 60 4.290 -6.084 -13.195 1.00 0.00 H new ATOM 0 HE ARG A 60 1.781 -5.296 -11.959 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.499 -5.538 -15.048 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.010 -5.652 -15.991 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.112 -5.449 -13.186 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.021 -5.603 -14.944 1.00 0.00 H new ATOM 913 N LYS A 61 4.640 -6.624 -8.089 1.00 0.00 N ATOM 914 CA LYS A 61 4.349 -7.899 -7.431 1.00 0.00 C ATOM 915 C LYS A 61 4.253 -7.712 -5.916 1.00 0.00 C ATOM 916 O LYS A 61 3.438 -8.356 -5.248 1.00 0.00 O ATOM 917 CB LYS A 61 5.426 -8.950 -7.767 1.00 0.00 C ATOM 918 CG LYS A 61 6.803 -8.666 -7.160 1.00 0.00 C ATOM 919 CD LYS A 61 7.776 -9.819 -7.413 1.00 0.00 C ATOM 920 CE LYS A 61 9.101 -9.642 -6.670 1.00 0.00 C ATOM 921 NZ LYS A 61 9.875 -8.469 -7.154 1.00 0.00 N ATOM 0 H LYS A 61 5.569 -6.568 -8.507 1.00 0.00 H new ATOM 0 HA LYS A 61 3.389 -8.257 -7.803 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.084 -9.925 -7.420 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.527 -9.014 -8.850 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.207 -7.748 -7.586 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.702 -8.502 -6.087 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.312 -10.756 -7.104 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.971 -9.898 -8.483 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.903 -9.528 -5.604 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.703 -10.543 -6.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.863 -8.552 -6.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.843 -8.437 -8.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.461 -7.597 -6.768 1.00 0.00 H new ATOM 935 N SER A 62 5.079 -6.813 -5.385 1.00 0.00 N ATOM 936 CA SER A 62 5.136 -6.561 -3.952 1.00 0.00 C ATOM 937 C SER A 62 3.836 -5.915 -3.479 1.00 0.00 C ATOM 938 O SER A 62 3.185 -6.411 -2.560 1.00 0.00 O ATOM 939 CB SER A 62 6.339 -5.665 -3.639 1.00 0.00 C ATOM 940 OG SER A 62 7.518 -6.187 -4.235 1.00 0.00 O ATOM 0 H SER A 62 5.723 -6.243 -5.934 1.00 0.00 H new ATOM 0 HA SER A 62 5.255 -7.505 -3.420 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.154 -4.656 -4.008 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.473 -5.590 -2.560 1.00 0.00 H new ATOM 0 HG SER A 62 8.276 -5.602 -4.027 1.00 0.00 H new ATOM 946 N PHE A 63 3.457 -4.817 -4.129 1.00 0.00 N ATOM 947 CA PHE A 63 2.196 -4.133 -3.830 1.00 0.00 C ATOM 948 C PHE A 63 1.002 -5.063 -4.047 1.00 0.00 C ATOM 949 O PHE A 63 0.024 -5.013 -3.299 1.00 0.00 O ATOM 950 CB PHE A 63 2.044 -2.874 -4.692 1.00 0.00 C ATOM 951 CG PHE A 63 3.034 -1.791 -4.348 1.00 0.00 C ATOM 952 CD1 PHE A 63 2.750 -0.869 -3.351 1.00 0.00 C ATOM 953 CD2 PHE A 63 4.249 -1.700 -5.011 1.00 0.00 C ATOM 954 CE1 PHE A 63 3.654 0.121 -3.024 1.00 0.00 C ATOM 955 CE2 PHE A 63 5.155 -0.710 -4.689 1.00 0.00 C ATOM 956 CZ PHE A 63 4.859 0.199 -3.694 1.00 0.00 C ATOM 0 H PHE A 63 4.006 -4.379 -4.869 1.00 0.00 H new ATOM 0 HA PHE A 63 2.219 -3.839 -2.781 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.162 -3.144 -5.741 1.00 0.00 H new ATOM 0 HB3 PHE A 63 1.033 -2.483 -4.576 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.809 -0.927 -2.824 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.489 -2.411 -5.787 1.00 0.00 H new ATOM 0 HE1 PHE A 63 3.420 0.833 -2.246 1.00 0.00 H new ATOM 0 HE2 PHE A 63 6.096 -0.647 -5.216 1.00 0.00 H new ATOM 0 HZ PHE A 63 5.570 0.971 -3.439 1.00 0.00 H new ATOM 966 N ALA A 64 1.086 -5.906 -5.076 1.00 0.00 N ATOM 967 CA ALA A 64 0.046 -6.893 -5.356 1.00 0.00 C ATOM 968 C ALA A 64 -0.152 -7.825 -4.163 1.00 0.00 C ATOM 969 O ALA A 64 -1.242 -8.357 -3.943 1.00 0.00 O ATOM 970 CB ALA A 64 0.411 -7.699 -6.597 1.00 0.00 C ATOM 0 H ALA A 64 1.867 -5.924 -5.731 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.890 -6.365 -5.537 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.370 -8.432 -6.798 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.507 -7.029 -7.451 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.357 -8.214 -6.431 1.00 0.00 H new ATOM 976 N SER A 65 0.912 -8.003 -3.390 1.00 0.00 N ATOM 977 CA SER A 65 0.895 -8.898 -2.248 1.00 0.00 C ATOM 978 C SER A 65 1.090 -8.115 -0.949 1.00 0.00 C ATOM 979 O SER A 65 2.180 -8.128 -0.370 1.00 0.00 O ATOM 980 CB SER A 65 1.994 -9.958 -2.407 1.00 0.00 C ATOM 981 OG SER A 65 1.962 -10.534 -3.705 1.00 0.00 O ATOM 0 H SER A 65 1.805 -7.532 -3.539 1.00 0.00 H new ATOM 0 HA SER A 65 -0.074 -9.395 -2.201 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.969 -9.505 -2.230 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.864 -10.737 -1.656 1.00 0.00 H new ATOM 0 HG SER A 65 2.410 -9.936 -4.339 1.00 0.00 H new ATOM 987 N ILE A 66 0.036 -7.422 -0.501 1.00 0.00 N ATOM 988 CA ILE A 66 0.101 -6.648 0.743 1.00 0.00 C ATOM 989 C ILE A 66 0.654 -7.506 1.872 1.00 0.00 C ATOM 990 O ILE A 66 1.597 -7.111 2.547 1.00 0.00 O ATOM 991 CB ILE A 66 -1.280 -6.091 1.174 1.00 0.00 C ATOM 992 CG1 ILE A 66 -1.831 -5.121 0.121 1.00 0.00 C ATOM 993 CG2 ILE A 66 -1.185 -5.405 2.540 1.00 0.00 C ATOM 994 CD1 ILE A 66 -3.157 -4.490 0.507 1.00 0.00 C ATOM 0 H ILE A 66 -0.865 -7.382 -0.977 1.00 0.00 H new ATOM 0 HA ILE A 66 0.761 -5.803 0.545 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.971 -6.930 1.258 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.099 -4.331 -0.051 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.953 -5.654 -0.822 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.165 -5.021 2.823 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.847 -6.125 3.286 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.475 -4.580 2.484 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.484 -3.817 -0.285 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.904 -5.271 0.650 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.037 -3.929 1.434 1.00 0.00 H new ATOM 1006 N LYS A 67 0.077 -8.695 2.035 1.00 0.00 N ATOM 1007 CA LYS A 67 0.484 -9.631 3.085 1.00 0.00 C ATOM 1008 C LYS A 67 2.007 -9.827 3.115 1.00 0.00 C ATOM 1009 O LYS A 67 2.595 -10.021 4.180 1.00 0.00 O ATOM 1010 CB LYS A 67 -0.217 -10.994 2.905 1.00 0.00 C ATOM 1011 CG LYS A 67 0.019 -11.680 1.549 1.00 0.00 C ATOM 1012 CD LYS A 67 -1.036 -11.297 0.504 1.00 0.00 C ATOM 1013 CE LYS A 67 -0.817 -12.026 -0.821 1.00 0.00 C ATOM 1014 NZ LYS A 67 -1.828 -11.646 -1.853 1.00 0.00 N ATOM 0 H LYS A 67 -0.683 -9.037 1.447 1.00 0.00 H new ATOM 0 HA LYS A 67 0.181 -9.196 4.037 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.119 -11.664 3.696 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.289 -10.853 3.041 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.008 -11.412 1.177 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.013 -12.761 1.687 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.029 -11.532 0.888 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.006 -10.221 0.335 1.00 0.00 H new ATOM 0 HE2 LYS A 67 0.182 -11.802 -1.195 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -0.861 -13.102 -0.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.589 -12.100 -2.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -2.771 -11.959 -1.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.829 -10.613 -1.974 1.00 0.00 H new ATOM 1028 N ALA A 68 2.635 -9.773 1.943 1.00 0.00 N ATOM 1029 CA ALA A 68 4.081 -9.956 1.828 1.00 0.00 C ATOM 1030 C ALA A 68 4.839 -8.659 2.124 1.00 0.00 C ATOM 1031 O ALA A 68 5.737 -8.627 2.971 1.00 0.00 O ATOM 1032 CB ALA A 68 4.433 -10.476 0.438 1.00 0.00 C ATOM 0 H ALA A 68 2.163 -9.603 1.055 1.00 0.00 H new ATOM 0 HA ALA A 68 4.387 -10.691 2.572 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.512 -10.609 0.362 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.937 -11.432 0.271 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.102 -9.759 -0.313 1.00 0.00 H new ATOM 1038 N ILE A 69 4.456 -7.587 1.430 1.00 0.00 N ATOM 1039 CA ILE A 69 5.185 -6.317 1.486 1.00 0.00 C ATOM 1040 C ILE A 69 5.038 -5.641 2.855 1.00 0.00 C ATOM 1041 O ILE A 69 5.966 -4.982 3.337 1.00 0.00 O ATOM 1042 CB ILE A 69 4.715 -5.353 0.362 1.00 0.00 C ATOM 1043 CG1 ILE A 69 5.587 -4.086 0.319 1.00 0.00 C ATOM 1044 CG2 ILE A 69 3.242 -4.984 0.540 1.00 0.00 C ATOM 1045 CD1 ILE A 69 5.203 -3.115 -0.782 1.00 0.00 C ATOM 0 H ILE A 69 3.640 -7.572 0.818 1.00 0.00 H new ATOM 0 HA ILE A 69 6.239 -6.546 1.332 1.00 0.00 H new ATOM 0 HB ILE A 69 4.825 -5.874 -0.589 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.519 -3.576 1.280 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.629 -4.378 0.186 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.937 -4.308 -0.259 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.634 -5.888 0.503 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.104 -4.493 1.503 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.862 -2.248 -0.748 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.299 -3.606 -1.750 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.172 -2.793 -0.639 1.00 0.00 H new ATOM 1057 N GLU A 70 3.880 -5.830 3.484 1.00 0.00 N ATOM 1058 CA GLU A 70 3.587 -5.207 4.772 1.00 0.00 C ATOM 1059 C GLU A 70 4.576 -5.676 5.836 1.00 0.00 C ATOM 1060 O GLU A 70 4.899 -4.940 6.770 1.00 0.00 O ATOM 1061 CB GLU A 70 2.141 -5.517 5.198 1.00 0.00 C ATOM 1062 CG GLU A 70 1.865 -6.993 5.496 1.00 0.00 C ATOM 1063 CD GLU A 70 1.628 -7.278 6.973 1.00 0.00 C ATOM 1064 OE1 GLU A 70 0.463 -7.195 7.416 1.00 0.00 O ATOM 1065 OE2 GLU A 70 2.600 -7.590 7.696 1.00 0.00 O ATOM 0 H GLU A 70 3.126 -6.413 3.120 1.00 0.00 H new ATOM 0 HA GLU A 70 3.692 -4.127 4.666 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.904 -4.931 6.086 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.465 -5.187 4.409 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.992 -7.314 4.927 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.709 -7.590 5.149 1.00 0.00 H new ATOM 1072 N ASP A 71 5.063 -6.903 5.683 1.00 0.00 N ATOM 1073 CA ASP A 71 6.034 -7.461 6.617 1.00 0.00 C ATOM 1074 C ASP A 71 7.447 -7.007 6.253 1.00 0.00 C ATOM 1075 O ASP A 71 8.331 -6.939 7.106 1.00 0.00 O ATOM 1076 CB ASP A 71 5.954 -8.996 6.630 1.00 0.00 C ATOM 1077 CG ASP A 71 6.759 -9.616 7.766 1.00 0.00 C ATOM 1078 OD1 ASP A 71 6.211 -9.748 8.885 1.00 0.00 O ATOM 1079 OD2 ASP A 71 7.938 -9.974 7.553 1.00 0.00 O ATOM 0 H ASP A 71 4.801 -7.529 4.922 1.00 0.00 H new ATOM 0 HA ASP A 71 5.797 -7.095 7.616 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.911 -9.301 6.720 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.318 -9.383 5.678 1.00 0.00 H new ATOM 1084 N THR A 72 7.646 -6.675 4.978 1.00 0.00 N ATOM 1085 CA THR A 72 8.962 -6.281 4.480 1.00 0.00 C ATOM 1086 C THR A 72 9.372 -4.905 5.017 1.00 0.00 C ATOM 1087 O THR A 72 10.528 -4.694 5.382 1.00 0.00 O ATOM 1088 CB THR A 72 8.993 -6.268 2.933 1.00 0.00 C ATOM 1089 OG1 THR A 72 8.480 -7.511 2.424 1.00 0.00 O ATOM 1090 CG2 THR A 72 10.411 -6.054 2.411 1.00 0.00 C ATOM 0 H THR A 72 6.911 -6.671 4.271 1.00 0.00 H new ATOM 0 HA THR A 72 9.676 -7.022 4.839 1.00 0.00 H new ATOM 0 HB THR A 72 8.370 -5.442 2.590 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.535 -7.600 2.669 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.401 -6.050 1.321 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.792 -5.100 2.774 1.00 0.00 H new ATOM 0 HG23 THR A 72 11.054 -6.860 2.765 1.00 0.00 H new ATOM 1098 N VAL A 73 8.413 -3.982 5.082 1.00 0.00 N ATOM 1099 CA VAL A 73 8.684 -2.624 5.564 1.00 0.00 C ATOM 1100 C VAL A 73 9.198 -2.648 7.010 1.00 0.00 C ATOM 1101 O VAL A 73 9.982 -1.791 7.417 1.00 0.00 O ATOM 1102 CB VAL A 73 7.427 -1.719 5.469 1.00 0.00 C ATOM 1103 CG1 VAL A 73 6.310 -2.239 6.369 1.00 0.00 C ATOM 1104 CG2 VAL A 73 7.768 -0.265 5.805 1.00 0.00 C ATOM 0 H VAL A 73 7.444 -4.147 4.809 1.00 0.00 H new ATOM 0 HA VAL A 73 9.456 -2.205 4.918 1.00 0.00 H new ATOM 0 HB VAL A 73 7.071 -1.750 4.439 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.441 -1.587 6.284 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.037 -3.249 6.064 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.653 -2.253 7.404 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.869 0.346 5.730 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.162 -0.209 6.820 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.517 0.104 5.104 1.00 0.00 H new ATOM 1114 N LYS A 74 8.766 -3.656 7.768 1.00 0.00 N ATOM 1115 CA LYS A 74 9.171 -3.815 9.166 1.00 0.00 C ATOM 1116 C LYS A 74 10.689 -3.953 9.287 1.00 0.00 C ATOM 1117 O LYS A 74 11.287 -3.540 10.287 1.00 0.00 O ATOM 1118 CB LYS A 74 8.486 -5.047 9.767 1.00 0.00 C ATOM 1119 CG LYS A 74 6.968 -4.924 9.856 1.00 0.00 C ATOM 1120 CD LYS A 74 6.304 -6.274 10.112 1.00 0.00 C ATOM 1121 CE LYS A 74 6.857 -6.968 11.349 1.00 0.00 C ATOM 1122 NZ LYS A 74 6.269 -8.320 11.525 1.00 0.00 N ATOM 0 H LYS A 74 8.130 -4.381 7.434 1.00 0.00 H new ATOM 0 HA LYS A 74 8.866 -2.924 9.714 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.736 -5.920 9.165 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.886 -5.223 10.765 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.706 -4.232 10.657 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.583 -4.499 8.929 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.230 -6.131 10.229 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.447 -6.917 9.243 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.941 -7.050 11.267 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.649 -6.362 12.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.837 -8.859 12.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.294 -8.232 11.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.264 -8.818 10.612 1.00 0.00 H new ATOM 1136 N LEU A 75 11.306 -4.524 8.255 1.00 0.00 N ATOM 1137 CA LEU A 75 12.750 -4.743 8.236 1.00 0.00 C ATOM 1138 C LEU A 75 13.493 -3.410 8.259 1.00 0.00 C ATOM 1139 O LEU A 75 14.562 -3.293 8.858 1.00 0.00 O ATOM 1140 CB LEU A 75 13.147 -5.549 6.993 1.00 0.00 C ATOM 1141 CG LEU A 75 12.439 -6.905 6.847 1.00 0.00 C ATOM 1142 CD1 LEU A 75 12.863 -7.602 5.557 1.00 0.00 C ATOM 1143 CD2 LEU A 75 12.709 -7.791 8.061 1.00 0.00 C ATOM 0 H LEU A 75 10.824 -4.845 7.415 1.00 0.00 H new ATOM 0 HA LEU A 75 13.026 -5.309 9.126 1.00 0.00 H new ATOM 0 HB2 LEU A 75 12.938 -4.949 6.107 1.00 0.00 H new ATOM 0 HB3 LEU A 75 14.223 -5.718 7.016 1.00 0.00 H new ATOM 0 HG LEU A 75 11.365 -6.724 6.794 1.00 0.00 H new ATOM 0 HD11 LEU A 75 12.349 -8.560 5.475 1.00 0.00 H new ATOM 0 HD12 LEU A 75 12.603 -6.977 4.703 1.00 0.00 H new ATOM 0 HD13 LEU A 75 13.940 -7.768 5.570 1.00 0.00 H new ATOM 0 HD21 LEU A 75 12.198 -8.746 7.936 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.781 -7.963 8.155 1.00 0.00 H new ATOM 0 HD23 LEU A 75 12.341 -7.298 8.961 1.00 0.00 H new ATOM 1155 N ILE A 76 12.897 -2.405 7.623 1.00 0.00 N ATOM 1156 CA ILE A 76 13.490 -1.071 7.547 1.00 0.00 C ATOM 1157 C ILE A 76 13.584 -0.454 8.940 1.00 0.00 C ATOM 1158 O ILE A 76 14.548 0.235 9.269 1.00 0.00 O ATOM 1159 CB ILE A 76 12.661 -0.142 6.623 1.00 0.00 C ATOM 1160 CG1 ILE A 76 12.442 -0.813 5.256 1.00 0.00 C ATOM 1161 CG2 ILE A 76 13.351 1.216 6.457 1.00 0.00 C ATOM 1162 CD1 ILE A 76 11.526 -0.040 4.330 1.00 0.00 C ATOM 0 H ILE A 76 11.998 -2.490 7.149 1.00 0.00 H new ATOM 0 HA ILE A 76 14.491 -1.174 7.127 1.00 0.00 H new ATOM 0 HB ILE A 76 11.689 0.030 7.085 1.00 0.00 H new ATOM 0 HG12 ILE A 76 13.408 -0.944 4.768 1.00 0.00 H new ATOM 0 HG13 ILE A 76 12.027 -1.808 5.414 1.00 0.00 H new ATOM 0 HG21 ILE A 76 12.752 1.851 5.805 1.00 0.00 H new ATOM 0 HG22 ILE A 76 13.456 1.693 7.432 1.00 0.00 H new ATOM 0 HG23 ILE A 76 14.337 1.071 6.016 1.00 0.00 H new ATOM 0 HD11 ILE A 76 11.423 -0.578 3.388 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.546 0.069 4.795 1.00 0.00 H new ATOM 0 HD13 ILE A 76 11.949 0.946 4.140 1.00 0.00 H new ATOM 1174 N LEU A 77 12.573 -0.725 9.760 1.00 0.00 N ATOM 1175 CA LEU A 77 12.529 -0.221 11.129 1.00 0.00 C ATOM 1176 C LEU A 77 13.532 -0.964 12.010 1.00 0.00 C ATOM 1177 O LEU A 77 14.041 -0.410 12.986 1.00 0.00 O ATOM 1178 CB LEU A 77 11.108 -0.335 11.711 1.00 0.00 C ATOM 1179 CG LEU A 77 10.089 0.707 11.204 1.00 0.00 C ATOM 1180 CD1 LEU A 77 10.530 2.123 11.573 1.00 0.00 C ATOM 1181 CD2 LEU A 77 9.874 0.587 9.695 1.00 0.00 C ATOM 0 H LEU A 77 11.768 -1.295 9.498 1.00 0.00 H new ATOM 0 HA LEU A 77 12.804 0.834 11.110 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.723 -1.330 11.488 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.173 -0.254 12.796 1.00 0.00 H new ATOM 0 HG LEU A 77 9.137 0.504 11.695 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.796 2.840 11.205 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.609 2.209 12.657 1.00 0.00 H new ATOM 0 HD13 LEU A 77 11.499 2.332 11.121 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.151 1.335 9.370 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.820 0.749 9.179 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.497 -0.408 9.459 1.00 0.00 H new ATOM 1193 N ASP A 78 13.811 -2.219 11.666 1.00 0.00 N ATOM 1194 CA ASP A 78 14.787 -3.017 12.411 1.00 0.00 C ATOM 1195 C ASP A 78 16.209 -2.609 12.032 1.00 0.00 C ATOM 1196 O ASP A 78 17.091 -2.511 12.887 1.00 0.00 O ATOM 1197 CB ASP A 78 14.583 -4.515 12.149 1.00 0.00 C ATOM 1198 CG ASP A 78 15.552 -5.380 12.950 1.00 0.00 C ATOM 1199 OD1 ASP A 78 15.313 -5.587 14.157 1.00 0.00 O ATOM 1200 OD2 ASP A 78 16.553 -5.865 12.377 1.00 0.00 O ATOM 0 H ASP A 78 13.379 -2.705 10.880 1.00 0.00 H new ATOM 0 HA ASP A 78 14.636 -2.829 13.474 1.00 0.00 H new ATOM 0 HB2 ASP A 78 13.559 -4.790 12.403 1.00 0.00 H new ATOM 0 HB3 ASP A 78 14.713 -4.717 11.086 1.00 0.00 H new ATOM 1205 N GLY A 79 16.420 -2.363 10.744 1.00 0.00 N ATOM 1206 CA GLY A 79 17.726 -1.962 10.248 1.00 0.00 C ATOM 1207 C GLY A 79 17.741 -0.513 9.806 1.00 0.00 C ATOM 1208 O GLY A 79 18.257 -0.191 8.735 1.00 0.00 O ATOM 0 H GLY A 79 15.700 -2.435 10.025 1.00 0.00 H new ATOM 0 HA2 GLY A 79 18.472 -2.111 11.028 1.00 0.00 H new ATOM 0 HA3 GLY A 79 18.008 -2.600 9.411 1.00 0.00 H new ATOM 1212 N LYS A 80 17.175 0.356 10.646 1.00 0.00 N ATOM 1213 CA LYS A 80 17.051 1.791 10.357 1.00 0.00 C ATOM 1214 C LYS A 80 18.331 2.376 9.766 1.00 0.00 C ATOM 1215 O LYS A 80 18.366 2.788 8.606 1.00 0.00 O ATOM 1216 CB LYS A 80 16.684 2.550 11.643 1.00 0.00 C ATOM 1217 CG LYS A 80 15.220 2.423 12.041 1.00 0.00 C ATOM 1218 CD LYS A 80 14.315 3.213 11.102 1.00 0.00 C ATOM 1219 CE LYS A 80 14.582 4.712 11.194 1.00 0.00 C ATOM 1220 NZ LYS A 80 13.739 5.495 10.255 1.00 0.00 N ATOM 0 H LYS A 80 16.787 0.086 11.550 1.00 0.00 H new ATOM 0 HA LYS A 80 16.263 1.906 9.613 1.00 0.00 H new ATOM 0 HB2 LYS A 80 17.305 2.182 12.460 1.00 0.00 H new ATOM 0 HB3 LYS A 80 16.924 3.605 11.511 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.929 1.373 12.030 1.00 0.00 H new ATOM 0 HG3 LYS A 80 15.087 2.780 13.062 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.472 2.877 10.077 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.272 3.013 11.347 1.00 0.00 H new ATOM 0 HE2 LYS A 80 14.396 5.050 12.213 1.00 0.00 H new ATOM 0 HE3 LYS A 80 15.634 4.905 10.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.332 6.312 10.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 14.322 5.829 9.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 12.972 4.893 9.893 1.00 0.00 H new ATOM 1234 N GLU A 81 19.374 2.408 10.578 1.00 0.00 N ATOM 1235 CA GLU A 81 20.654 2.992 10.184 1.00 0.00 C ATOM 1236 C GLU A 81 21.761 1.945 10.238 1.00 0.00 C ATOM 1237 O GLU A 81 22.919 2.252 10.526 1.00 0.00 O ATOM 1238 CB GLU A 81 20.967 4.193 11.090 1.00 0.00 C ATOM 1239 CG GLU A 81 20.745 3.923 12.575 1.00 0.00 C ATOM 1240 CD GLU A 81 20.774 5.194 13.408 1.00 0.00 C ATOM 1241 OE1 GLU A 81 19.894 6.060 13.203 1.00 0.00 O ATOM 1242 OE2 GLU A 81 21.674 5.342 14.259 1.00 0.00 O ATOM 0 H GLU A 81 19.362 2.033 11.526 1.00 0.00 H new ATOM 0 HA GLU A 81 20.592 3.343 9.154 1.00 0.00 H new ATOM 0 HB2 GLU A 81 22.004 4.491 10.936 1.00 0.00 H new ATOM 0 HB3 GLU A 81 20.345 5.036 10.787 1.00 0.00 H new ATOM 0 HG2 GLU A 81 19.785 3.425 12.711 1.00 0.00 H new ATOM 0 HG3 GLU A 81 21.513 3.239 12.935 1.00 0.00 H new ATOM 1249 N ALA A 82 21.395 0.705 9.928 1.00 0.00 N ATOM 1250 CA ALA A 82 22.345 -0.407 9.907 1.00 0.00 C ATOM 1251 C ALA A 82 22.596 -0.876 8.475 1.00 0.00 C ATOM 1252 O ALA A 82 23.293 -1.868 8.249 1.00 0.00 O ATOM 1253 CB ALA A 82 21.821 -1.555 10.765 1.00 0.00 C ATOM 0 H ALA A 82 20.440 0.442 9.686 1.00 0.00 H new ATOM 0 HA ALA A 82 23.294 -0.065 10.320 1.00 0.00 H new ATOM 0 HB1 ALA A 82 22.534 -2.379 10.744 1.00 0.00 H new ATOM 0 HB2 ALA A 82 21.692 -1.212 11.792 1.00 0.00 H new ATOM 0 HB3 ALA A 82 20.862 -1.894 10.373 1.00 0.00 H new ATOM 1259 N ALA A 83 22.030 -0.149 7.515 1.00 0.00 N ATOM 1260 CA ALA A 83 22.134 -0.506 6.102 1.00 0.00 C ATOM 1261 C ALA A 83 23.449 0.006 5.509 1.00 0.00 C ATOM 1262 O ALA A 83 23.582 1.238 5.319 1.00 0.00 O ATOM 1263 CB ALA A 83 20.935 0.044 5.330 1.00 0.00 C ATOM 1264 OXT ALA A 83 24.341 -0.824 5.229 1.00 0.00 O ATOM 0 H ALA A 83 21.490 0.698 7.692 1.00 0.00 H new ATOM 0 HA ALA A 83 22.130 -1.593 6.016 1.00 0.00 H new ATOM 0 HB1 ALA A 83 21.023 -0.228 4.278 1.00 0.00 H new ATOM 0 HB2 ALA A 83 20.016 -0.377 5.738 1.00 0.00 H new ATOM 0 HB3 ALA A 83 20.909 1.130 5.423 1.00 0.00 H new TER 1270 ALA A 83