USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 623 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 27 LYS NZ :NH3+ -131:sc= 0.315 (180deg=0) USER MOD Set 1.2: A 51 GLN : amide:sc= 0.112 K(o=0.43,f=-0.5) USER MOD Single : A 1 MET CE :methyl -133:sc= 0 (180deg=-0.079) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.311 X(o=-0.31,f=-0.45) USER MOD Single : A 5 TYR OH : rot 148:sc= 1.22 USER MOD Single : A 8 ASN : amide:sc= -0.0984 X(o=-0.098,f=-0.14) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 120:sc= -0.992 USER MOD Single : A 15 SER OG : rot -120:sc= -0.0527 USER MOD Single : A 17 GLN : amide:sc= -0.121 X(o=-0.12,f=0.1) USER MOD Single : A 19 LYS NZ :NH3+ -149:sc= 0.0285 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc=-0.00326 X(o=-0.0033,f=-0.0078) USER MOD Single : A 30 ASN : amide:sc= -0.222 X(o=-0.22,f=-0.011) USER MOD Single : A 32 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.546) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.315 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -112:sc= 1.26 (180deg=0.232) USER MOD Single : A 50 MET CE :methyl -169:sc= -4.12 (180deg=-4.99!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -151:sc= -0.354 (180deg=-1.18) USER MOD Single : A 64 ASN : amide:sc= -0.286 X(o=-0.29,f=-0.01) USER MOD Single : A 65 THR OG1 : rot 180:sc= -1.18 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 45:sc= 0.846 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.078 5.380 -15.375 1.00 0.00 N ATOM 2 CA MET A 1 2.480 4.353 -14.378 1.00 0.00 C ATOM 3 C MET A 1 3.369 4.956 -13.294 1.00 0.00 C ATOM 4 O MET A 1 4.450 5.468 -13.579 1.00 0.00 O ATOM 5 CB MET A 1 3.221 3.230 -15.107 1.00 0.00 C ATOM 6 CG MET A 1 2.832 1.839 -14.634 1.00 0.00 C ATOM 7 SD MET A 1 1.286 1.264 -15.363 1.00 0.00 S ATOM 8 CE MET A 1 1.836 0.802 -17.004 1.00 0.00 C ATOM 0 H1 MET A 1 1.474 4.942 -16.100 1.00 0.00 H new ATOM 0 H2 MET A 1 1.551 6.139 -14.898 1.00 0.00 H new ATOM 0 H3 MET A 1 2.927 5.778 -15.825 1.00 0.00 H new ATOM 0 HA MET A 1 1.589 3.959 -13.889 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.024 3.310 -16.176 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.294 3.365 -14.970 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.629 1.139 -14.883 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.738 1.842 -13.548 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.151 1.212 -17.746 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.837 1.197 -17.177 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.855 -0.285 -17.089 1.00 0.00 H new ATOM 20 N ARG A 2 2.904 4.889 -12.051 1.00 0.00 N ATOM 21 CA ARG A 2 3.656 5.428 -10.923 1.00 0.00 C ATOM 22 C ARG A 2 3.810 4.384 -9.823 1.00 0.00 C ATOM 23 O ARG A 2 3.369 3.244 -9.969 1.00 0.00 O ATOM 24 CB ARG A 2 2.958 6.671 -10.368 1.00 0.00 C ATOM 25 CG ARG A 2 2.871 7.817 -11.363 1.00 0.00 C ATOM 26 CD ARG A 2 4.247 8.356 -11.721 1.00 0.00 C ATOM 27 NE ARG A 2 4.499 9.664 -11.118 1.00 0.00 N ATOM 28 CZ ARG A 2 5.050 9.837 -9.918 1.00 0.00 C ATOM 29 NH1 ARG A 2 5.410 8.793 -9.182 1.00 0.00 N ATOM 30 NH2 ARG A 2 5.242 11.064 -9.450 1.00 0.00 N ATOM 0 H ARG A 2 2.010 4.467 -11.799 1.00 0.00 H new ATOM 0 HA ARG A 2 4.649 5.704 -11.278 1.00 0.00 H new ATOM 0 HB2 ARG A 2 1.951 6.400 -10.050 1.00 0.00 H new ATOM 0 HB3 ARG A 2 3.492 7.011 -9.481 1.00 0.00 H new ATOM 0 HG2 ARG A 2 2.367 7.476 -12.267 1.00 0.00 H new ATOM 0 HG3 ARG A 2 2.264 8.619 -10.943 1.00 0.00 H new ATOM 0 HD2 ARG A 2 5.010 7.651 -11.389 1.00 0.00 H new ATOM 0 HD3 ARG A 2 4.335 8.434 -12.805 1.00 0.00 H new ATOM 0 HE ARG A 2 4.237 10.495 -11.649 1.00 0.00 H new ATOM 0 HH11 ARG A 2 5.266 7.847 -9.534 1.00 0.00 H new ATOM 0 HH12 ARG A 2 5.831 8.937 -8.264 1.00 0.00 H new ATOM 0 HH21 ARG A 2 4.968 11.872 -10.009 1.00 0.00 H new ATOM 0 HH22 ARG A 2 5.664 11.199 -8.531 1.00 0.00 H new ATOM 44 N ASN A 3 4.439 4.780 -8.721 1.00 0.00 N ATOM 45 CA ASN A 3 4.652 3.878 -7.595 1.00 0.00 C ATOM 46 C ASN A 3 4.041 4.448 -6.320 1.00 0.00 C ATOM 47 O ASN A 3 3.898 5.663 -6.176 1.00 0.00 O ATOM 48 CB ASN A 3 6.148 3.628 -7.390 1.00 0.00 C ATOM 49 CG ASN A 3 6.740 2.746 -8.472 1.00 0.00 C ATOM 50 OD1 ASN A 3 6.317 1.605 -8.660 1.00 0.00 O ATOM 51 ND2 ASN A 3 7.725 3.273 -9.191 1.00 0.00 N ATOM 0 H ASN A 3 4.810 5.720 -8.584 1.00 0.00 H new ATOM 0 HA ASN A 3 4.161 2.932 -7.821 1.00 0.00 H new ATOM 0 HB2 ASN A 3 6.674 4.582 -7.375 1.00 0.00 H new ATOM 0 HB3 ASN A 3 6.306 3.161 -6.418 1.00 0.00 H new ATOM 0 HD21 ASN A 3 8.162 2.728 -9.934 1.00 0.00 H new ATOM 0 HD22 ASN A 3 8.044 4.223 -9.000 1.00 0.00 H new ATOM 58 N ILE A 4 3.681 3.564 -5.395 1.00 0.00 N ATOM 59 CA ILE A 4 3.086 3.979 -4.131 1.00 0.00 C ATOM 60 C ILE A 4 3.767 3.295 -2.951 1.00 0.00 C ATOM 61 O ILE A 4 3.824 2.067 -2.880 1.00 0.00 O ATOM 62 CB ILE A 4 1.577 3.667 -4.090 1.00 0.00 C ATOM 63 CG1 ILE A 4 0.896 4.164 -5.366 1.00 0.00 C ATOM 64 CG2 ILE A 4 0.939 4.298 -2.861 1.00 0.00 C ATOM 65 CD1 ILE A 4 -0.494 3.599 -5.569 1.00 0.00 C ATOM 0 H ILE A 4 3.791 2.555 -5.498 1.00 0.00 H new ATOM 0 HA ILE A 4 3.229 5.057 -4.054 1.00 0.00 H new ATOM 0 HB ILE A 4 1.446 2.587 -4.029 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.836 5.252 -5.336 1.00 0.00 H new ATOM 0 HG13 ILE A 4 1.515 3.902 -6.224 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.127 4.069 -2.846 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.409 3.899 -1.962 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.077 5.379 -2.894 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -0.916 3.994 -6.493 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -0.439 2.512 -5.631 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.128 3.883 -4.729 1.00 0.00 H new ATOM 77 N TYR A 5 4.281 4.098 -2.024 1.00 0.00 N ATOM 78 CA TYR A 5 4.958 3.570 -0.845 1.00 0.00 C ATOM 79 C TYR A 5 4.114 3.785 0.407 1.00 0.00 C ATOM 80 O TYR A 5 3.863 4.920 0.811 1.00 0.00 O ATOM 81 CB TYR A 5 6.324 4.237 -0.675 1.00 0.00 C ATOM 82 CG TYR A 5 7.106 3.724 0.513 1.00 0.00 C ATOM 83 CD1 TYR A 5 6.820 4.165 1.799 1.00 0.00 C ATOM 84 CD2 TYR A 5 8.131 2.800 0.349 1.00 0.00 C ATOM 85 CE1 TYR A 5 7.533 3.699 2.888 1.00 0.00 C ATOM 86 CE2 TYR A 5 8.848 2.330 1.433 1.00 0.00 C ATOM 87 CZ TYR A 5 8.546 2.783 2.699 1.00 0.00 C ATOM 88 OH TYR A 5 9.257 2.317 3.780 1.00 0.00 O ATOM 0 H TYR A 5 4.241 5.116 -2.067 1.00 0.00 H new ATOM 0 HA TYR A 5 5.100 2.499 -0.986 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.910 4.080 -1.580 1.00 0.00 H new ATOM 0 HB3 TYR A 5 6.183 5.313 -0.569 1.00 0.00 H new ATOM 0 HD1 TYR A 5 6.028 4.883 1.950 1.00 0.00 H new ATOM 0 HD2 TYR A 5 8.371 2.443 -0.642 1.00 0.00 H new ATOM 0 HE1 TYR A 5 7.298 4.051 3.882 1.00 0.00 H new ATOM 0 HE2 TYR A 5 9.641 1.611 1.289 1.00 0.00 H new ATOM 0 HH TYR A 5 9.536 1.392 3.614 1.00 0.00 H new ATOM 98 N VAL A 6 3.680 2.687 1.017 1.00 0.00 N ATOM 99 CA VAL A 6 2.865 2.755 2.224 1.00 0.00 C ATOM 100 C VAL A 6 3.502 1.965 3.364 1.00 0.00 C ATOM 101 O VAL A 6 3.782 0.775 3.226 1.00 0.00 O ATOM 102 CB VAL A 6 1.441 2.220 1.971 1.00 0.00 C ATOM 103 CG1 VAL A 6 1.482 0.758 1.554 1.00 0.00 C ATOM 104 CG2 VAL A 6 0.570 2.408 3.204 1.00 0.00 C ATOM 0 H VAL A 6 3.879 1.740 0.695 1.00 0.00 H new ATOM 0 HA VAL A 6 2.804 3.806 2.507 1.00 0.00 H new ATOM 0 HB VAL A 6 1.001 2.792 1.154 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.467 0.401 1.381 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.064 0.657 0.638 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.945 0.167 2.344 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.431 2.024 3.005 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.006 1.866 4.043 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.510 3.468 3.449 1.00 0.00 H new ATOM 114 N GLY A 7 3.727 2.637 4.488 1.00 0.00 N ATOM 115 CA GLY A 7 4.328 1.981 5.635 1.00 0.00 C ATOM 116 C GLY A 7 3.304 1.583 6.679 1.00 0.00 C ATOM 117 O GLY A 7 2.100 1.653 6.434 1.00 0.00 O ATOM 0 H GLY A 7 3.504 3.623 4.625 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.866 1.093 5.301 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.063 2.648 6.087 1.00 0.00 H new ATOM 121 N ASN A 8 3.782 1.162 7.845 1.00 0.00 N ATOM 122 CA ASN A 8 2.899 0.750 8.930 1.00 0.00 C ATOM 123 C ASN A 8 2.003 -0.406 8.495 1.00 0.00 C ATOM 124 O ASN A 8 0.817 -0.444 8.821 1.00 0.00 O ATOM 125 CB ASN A 8 2.040 1.930 9.392 1.00 0.00 C ATOM 126 CG ASN A 8 1.543 1.763 10.814 1.00 0.00 C ATOM 127 OD1 ASN A 8 0.413 1.333 11.044 1.00 0.00 O ATOM 128 ND2 ASN A 8 2.390 2.102 11.780 1.00 0.00 N ATOM 0 H ASN A 8 4.776 1.097 8.063 1.00 0.00 H new ATOM 0 HA ASN A 8 3.519 0.412 9.761 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.621 2.849 9.319 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.187 2.038 8.722 1.00 0.00 H new ATOM 0 HD21 ASN A 8 2.112 2.010 12.757 1.00 0.00 H new ATOM 0 HD22 ASN A 8 3.318 2.454 11.544 1.00 0.00 H new ATOM 135 N LEU A 9 2.581 -1.349 7.755 1.00 0.00 N ATOM 136 CA LEU A 9 1.835 -2.506 7.275 1.00 0.00 C ATOM 137 C LEU A 9 2.073 -3.717 8.171 1.00 0.00 C ATOM 138 O LEU A 9 2.785 -3.632 9.171 1.00 0.00 O ATOM 139 CB LEU A 9 2.236 -2.836 5.836 1.00 0.00 C ATOM 140 CG LEU A 9 1.851 -1.779 4.798 1.00 0.00 C ATOM 141 CD1 LEU A 9 2.224 -2.245 3.399 1.00 0.00 C ATOM 142 CD2 LEU A 9 0.364 -1.469 4.880 1.00 0.00 C ATOM 0 H LEU A 9 3.562 -1.334 7.476 1.00 0.00 H new ATOM 0 HA LEU A 9 0.774 -2.259 7.302 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.316 -2.982 5.800 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.776 -3.784 5.555 1.00 0.00 H new ATOM 0 HG LEU A 9 2.405 -0.865 5.014 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.943 -1.481 2.674 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.299 -2.416 3.347 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.697 -3.172 3.172 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.108 -0.716 4.135 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.208 -2.377 4.689 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.125 -1.092 5.874 1.00 0.00 H new ATOM 154 N VAL A 10 1.470 -4.844 7.805 1.00 0.00 N ATOM 155 CA VAL A 10 1.615 -6.074 8.576 1.00 0.00 C ATOM 156 C VAL A 10 0.968 -7.252 7.844 1.00 0.00 C ATOM 157 O VAL A 10 0.603 -7.139 6.674 1.00 0.00 O ATOM 158 CB VAL A 10 1.007 -5.917 9.991 1.00 0.00 C ATOM 159 CG1 VAL A 10 -0.464 -6.315 10.019 1.00 0.00 C ATOM 160 CG2 VAL A 10 1.805 -6.720 11.010 1.00 0.00 C ATOM 0 H VAL A 10 0.877 -4.931 6.980 1.00 0.00 H new ATOM 0 HA VAL A 10 2.680 -6.278 8.684 1.00 0.00 H new ATOM 0 HB VAL A 10 1.064 -4.862 10.260 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.855 -6.191 11.029 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.025 -5.682 9.332 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.565 -7.357 9.716 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.362 -6.597 11.998 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.790 -7.775 10.735 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.835 -6.364 11.027 1.00 0.00 H new ATOM 170 N TYR A 11 0.829 -8.380 8.537 1.00 0.00 N ATOM 171 CA TYR A 11 0.227 -9.573 7.946 1.00 0.00 C ATOM 172 C TYR A 11 -1.107 -9.244 7.280 1.00 0.00 C ATOM 173 O TYR A 11 -1.358 -9.639 6.142 1.00 0.00 O ATOM 174 CB TYR A 11 0.024 -10.647 9.016 1.00 0.00 C ATOM 175 CG TYR A 11 -0.201 -12.032 8.451 1.00 0.00 C ATOM 176 CD1 TYR A 11 0.871 -12.840 8.094 1.00 0.00 C ATOM 177 CD2 TYR A 11 -1.486 -12.530 8.275 1.00 0.00 C ATOM 178 CE1 TYR A 11 0.670 -14.106 7.577 1.00 0.00 C ATOM 179 CE2 TYR A 11 -1.696 -13.795 7.759 1.00 0.00 C ATOM 180 CZ TYR A 11 -0.615 -14.578 7.412 1.00 0.00 C ATOM 181 OH TYR A 11 -0.820 -15.838 6.897 1.00 0.00 O ATOM 0 H TYR A 11 1.124 -8.493 9.507 1.00 0.00 H new ATOM 0 HA TYR A 11 0.907 -9.950 7.182 1.00 0.00 H new ATOM 0 HB2 TYR A 11 0.897 -10.667 9.668 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.830 -10.374 9.635 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.878 -12.473 8.223 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -2.334 -11.919 8.546 1.00 0.00 H new ATOM 0 HE1 TYR A 11 1.514 -14.722 7.304 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -2.701 -14.168 7.628 1.00 0.00 H new ATOM 0 HH TYR A 11 -1.782 -16.018 6.846 1.00 0.00 H new ATOM 191 N SER A 12 -1.956 -8.517 7.998 1.00 0.00 N ATOM 192 CA SER A 12 -3.264 -8.133 7.478 1.00 0.00 C ATOM 193 C SER A 12 -3.637 -6.727 7.942 1.00 0.00 C ATOM 194 O SER A 12 -4.693 -6.519 8.540 1.00 0.00 O ATOM 195 CB SER A 12 -4.329 -9.135 7.926 1.00 0.00 C ATOM 196 OG SER A 12 -4.052 -9.628 9.226 1.00 0.00 O ATOM 0 H SER A 12 -1.762 -8.182 8.942 1.00 0.00 H new ATOM 0 HA SER A 12 -3.214 -8.136 6.389 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.309 -8.658 7.916 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.372 -9.965 7.221 1.00 0.00 H new ATOM 0 HG SER A 12 -4.748 -10.265 9.489 1.00 0.00 H new ATOM 202 N ALA A 13 -2.762 -5.767 7.661 1.00 0.00 N ATOM 203 CA ALA A 13 -2.997 -4.382 8.050 1.00 0.00 C ATOM 204 C ALA A 13 -4.207 -3.803 7.324 1.00 0.00 C ATOM 205 O ALA A 13 -5.264 -3.605 7.922 1.00 0.00 O ATOM 206 CB ALA A 13 -1.758 -3.541 7.775 1.00 0.00 C ATOM 0 H ALA A 13 -1.884 -5.923 7.166 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.207 -4.361 9.119 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.946 -2.509 8.070 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.917 -3.934 8.347 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.522 -3.577 6.711 1.00 0.00 H new ATOM 212 N THR A 14 -4.045 -3.531 6.033 1.00 0.00 N ATOM 213 CA THR A 14 -5.126 -2.974 5.229 1.00 0.00 C ATOM 214 C THR A 14 -4.816 -3.088 3.739 1.00 0.00 C ATOM 215 O THR A 14 -5.692 -3.411 2.937 1.00 0.00 O ATOM 216 CB THR A 14 -5.369 -1.508 5.599 1.00 0.00 C ATOM 217 OG1 THR A 14 -4.771 -1.196 6.845 1.00 0.00 O ATOM 218 CG2 THR A 14 -6.836 -1.151 5.694 1.00 0.00 C ATOM 0 H THR A 14 -3.176 -3.687 5.522 1.00 0.00 H new ATOM 0 HA THR A 14 -6.028 -3.549 5.439 1.00 0.00 H new ATOM 0 HB THR A 14 -4.920 -0.930 4.791 1.00 0.00 H new ATOM 0 HG1 THR A 14 -4.110 -0.484 6.721 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.938 -0.099 5.959 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.317 -1.331 4.733 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.311 -1.766 6.458 1.00 0.00 H new ATOM 226 N SER A 15 -3.566 -2.817 3.374 1.00 0.00 N ATOM 227 CA SER A 15 -3.144 -2.888 1.978 1.00 0.00 C ATOM 228 C SER A 15 -3.497 -4.239 1.367 1.00 0.00 C ATOM 229 O SER A 15 -4.087 -4.308 0.289 1.00 0.00 O ATOM 230 CB SER A 15 -1.640 -2.636 1.863 1.00 0.00 C ATOM 231 OG SER A 15 -1.370 -1.272 1.589 1.00 0.00 O ATOM 0 H SER A 15 -2.828 -2.547 4.024 1.00 0.00 H new ATOM 0 HA SER A 15 -3.677 -2.114 1.426 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.147 -2.928 2.790 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.223 -3.258 1.071 1.00 0.00 H new ATOM 0 HG SER A 15 -0.888 -1.198 0.739 1.00 0.00 H new ATOM 237 N GLU A 16 -3.141 -5.310 2.066 1.00 0.00 N ATOM 238 CA GLU A 16 -3.430 -6.657 1.591 1.00 0.00 C ATOM 239 C GLU A 16 -4.935 -6.918 1.589 1.00 0.00 C ATOM 240 O GLU A 16 -5.408 -7.870 0.967 1.00 0.00 O ATOM 241 CB GLU A 16 -2.721 -7.693 2.466 1.00 0.00 C ATOM 242 CG GLU A 16 -1.342 -8.079 1.954 1.00 0.00 C ATOM 243 CD GLU A 16 -1.111 -9.578 1.976 1.00 0.00 C ATOM 244 OE1 GLU A 16 -1.274 -10.188 3.053 1.00 0.00 O ATOM 245 OE2 GLU A 16 -0.766 -10.141 0.916 1.00 0.00 O ATOM 0 H GLU A 16 -2.653 -5.272 2.961 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.061 -6.744 0.569 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.627 -7.299 3.478 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.340 -8.588 2.529 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.221 -7.711 0.935 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.582 -7.589 2.563 1.00 0.00 H new ATOM 252 N GLN A 17 -5.681 -6.067 2.289 1.00 0.00 N ATOM 253 CA GLN A 17 -7.131 -6.207 2.368 1.00 0.00 C ATOM 254 C GLN A 17 -7.817 -5.427 1.250 1.00 0.00 C ATOM 255 O GLN A 17 -8.836 -5.861 0.713 1.00 0.00 O ATOM 256 CB GLN A 17 -7.632 -5.722 3.731 1.00 0.00 C ATOM 257 CG GLN A 17 -9.144 -5.785 3.883 1.00 0.00 C ATOM 258 CD GLN A 17 -9.686 -7.195 3.742 1.00 0.00 C ATOM 259 OE1 GLN A 17 -9.907 -7.679 2.632 1.00 0.00 O ATOM 260 NE2 GLN A 17 -9.902 -7.861 4.870 1.00 0.00 N ATOM 0 H GLN A 17 -5.305 -5.274 2.809 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.379 -7.262 2.250 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -7.171 -6.325 4.513 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.302 -4.694 3.885 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.424 -5.388 4.859 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.608 -5.145 3.133 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.704 -7.420 5.768 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.265 -8.814 4.838 1.00 0.00 H new ATOM 269 N VAL A 18 -7.257 -4.270 0.912 1.00 0.00 N ATOM 270 CA VAL A 18 -7.821 -3.424 -0.135 1.00 0.00 C ATOM 271 C VAL A 18 -7.242 -3.764 -1.508 1.00 0.00 C ATOM 272 O VAL A 18 -7.860 -3.487 -2.535 1.00 0.00 O ATOM 273 CB VAL A 18 -7.577 -1.932 0.160 1.00 0.00 C ATOM 274 CG1 VAL A 18 -6.088 -1.626 0.195 1.00 0.00 C ATOM 275 CG2 VAL A 18 -8.285 -1.058 -0.865 1.00 0.00 C ATOM 0 H VAL A 18 -6.414 -3.896 1.347 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.894 -3.617 -0.147 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.992 -1.707 1.142 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.939 -0.567 0.405 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.613 -2.221 0.975 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.643 -1.871 -0.770 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -8.100 -0.008 -0.638 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.906 -1.286 -1.861 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.357 -1.253 -0.831 1.00 0.00 H new ATOM 285 N LYS A 19 -6.051 -4.359 -1.522 1.00 0.00 N ATOM 286 CA LYS A 19 -5.397 -4.726 -2.776 1.00 0.00 C ATOM 287 C LYS A 19 -6.324 -5.555 -3.660 1.00 0.00 C ATOM 288 O LYS A 19 -6.288 -5.447 -4.886 1.00 0.00 O ATOM 289 CB LYS A 19 -4.106 -5.499 -2.498 1.00 0.00 C ATOM 290 CG LYS A 19 -4.334 -6.874 -1.889 1.00 0.00 C ATOM 291 CD LYS A 19 -3.073 -7.722 -1.942 1.00 0.00 C ATOM 292 CE LYS A 19 -3.379 -9.190 -1.695 1.00 0.00 C ATOM 293 NZ LYS A 19 -2.230 -10.065 -2.058 1.00 0.00 N ATOM 0 H LYS A 19 -5.521 -4.596 -0.683 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.153 -3.806 -3.307 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.553 -5.612 -3.430 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.480 -4.913 -1.825 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.658 -6.766 -0.854 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.138 -7.381 -2.423 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.597 -7.607 -2.916 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.363 -7.367 -1.196 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.630 -9.337 -0.644 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.255 -9.481 -2.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.585 -10.987 -2.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.680 -9.618 -2.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.622 -10.202 -1.226 1.00 0.00 H new ATOM 307 N GLU A 20 -7.155 -6.380 -3.032 1.00 0.00 N ATOM 308 CA GLU A 20 -8.092 -7.224 -3.765 1.00 0.00 C ATOM 309 C GLU A 20 -9.125 -6.374 -4.497 1.00 0.00 C ATOM 310 O GLU A 20 -9.571 -6.725 -5.590 1.00 0.00 O ATOM 311 CB GLU A 20 -8.793 -8.195 -2.813 1.00 0.00 C ATOM 312 CG GLU A 20 -9.306 -7.537 -1.542 1.00 0.00 C ATOM 313 CD GLU A 20 -10.375 -8.360 -0.851 1.00 0.00 C ATOM 314 OE1 GLU A 20 -11.503 -8.434 -1.382 1.00 0.00 O ATOM 315 OE2 GLU A 20 -10.084 -8.931 0.222 1.00 0.00 O ATOM 0 H GLU A 20 -7.199 -6.482 -2.018 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.529 -7.797 -4.502 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.629 -8.661 -3.334 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.100 -8.992 -2.545 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.473 -7.381 -0.856 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.709 -6.553 -1.783 1.00 0.00 H new ATOM 322 N LEU A 21 -9.501 -5.255 -3.888 1.00 0.00 N ATOM 323 CA LEU A 21 -10.481 -4.352 -4.481 1.00 0.00 C ATOM 324 C LEU A 21 -9.797 -3.308 -5.360 1.00 0.00 C ATOM 325 O LEU A 21 -10.396 -2.787 -6.301 1.00 0.00 O ATOM 326 CB LEU A 21 -11.296 -3.659 -3.387 1.00 0.00 C ATOM 327 CG LEU A 21 -12.507 -2.869 -3.885 1.00 0.00 C ATOM 328 CD1 LEU A 21 -13.760 -3.728 -3.835 1.00 0.00 C ATOM 329 CD2 LEU A 21 -12.693 -1.602 -3.063 1.00 0.00 C ATOM 0 H LEU A 21 -9.142 -4.951 -2.983 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.152 -4.943 -5.104 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.639 -4.413 -2.678 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.640 -2.982 -2.840 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.329 -2.582 -4.921 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -14.612 -3.150 -4.193 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.625 -4.605 -4.468 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -13.943 -4.046 -2.808 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -13.559 -1.053 -3.432 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -12.849 -1.866 -2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.804 -0.978 -3.150 1.00 0.00 H new ATOM 341 N PHE A 22 -8.540 -3.008 -5.046 1.00 0.00 N ATOM 342 CA PHE A 22 -7.773 -2.027 -5.806 1.00 0.00 C ATOM 343 C PHE A 22 -7.731 -2.389 -7.290 1.00 0.00 C ATOM 344 O PHE A 22 -7.524 -1.527 -8.144 1.00 0.00 O ATOM 345 CB PHE A 22 -6.351 -1.922 -5.249 1.00 0.00 C ATOM 346 CG PHE A 22 -6.033 -0.577 -4.659 1.00 0.00 C ATOM 347 CD1 PHE A 22 -6.954 0.080 -3.859 1.00 0.00 C ATOM 348 CD2 PHE A 22 -4.811 0.029 -4.904 1.00 0.00 C ATOM 349 CE1 PHE A 22 -6.662 1.316 -3.315 1.00 0.00 C ATOM 350 CE2 PHE A 22 -4.515 1.266 -4.363 1.00 0.00 C ATOM 351 CZ PHE A 22 -5.441 1.910 -3.568 1.00 0.00 C ATOM 0 H PHE A 22 -8.031 -3.431 -4.270 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.268 -1.061 -5.707 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -6.212 -2.687 -4.485 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -5.640 -2.136 -6.047 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.911 -0.379 -3.658 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.082 -0.471 -5.525 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.388 1.817 -2.692 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.560 1.728 -4.562 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.211 2.877 -3.144 1.00 0.00 H new ATOM 361 N SER A 23 -7.930 -3.670 -7.592 1.00 0.00 N ATOM 362 CA SER A 23 -7.916 -4.140 -8.972 1.00 0.00 C ATOM 363 C SER A 23 -9.269 -3.914 -9.640 1.00 0.00 C ATOM 364 O SER A 23 -9.349 -3.716 -10.851 1.00 0.00 O ATOM 365 CB SER A 23 -7.552 -5.626 -9.023 1.00 0.00 C ATOM 366 OG SER A 23 -7.388 -6.066 -10.359 1.00 0.00 O ATOM 0 H SER A 23 -8.102 -4.399 -6.900 1.00 0.00 H new ATOM 0 HA SER A 23 -7.163 -3.568 -9.515 1.00 0.00 H new ATOM 0 HB2 SER A 23 -6.631 -5.797 -8.465 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.333 -6.212 -8.537 1.00 0.00 H new ATOM 0 HG SER A 23 -7.154 -7.018 -10.364 1.00 0.00 H new ATOM 372 N GLN A 24 -10.330 -3.946 -8.842 1.00 0.00 N ATOM 373 CA GLN A 24 -11.680 -3.745 -9.357 1.00 0.00 C ATOM 374 C GLN A 24 -12.067 -2.267 -9.328 1.00 0.00 C ATOM 375 O GLN A 24 -12.968 -1.840 -10.049 1.00 0.00 O ATOM 376 CB GLN A 24 -12.684 -4.565 -8.546 1.00 0.00 C ATOM 377 CG GLN A 24 -13.045 -5.893 -9.190 1.00 0.00 C ATOM 378 CD GLN A 24 -14.026 -5.738 -10.335 1.00 0.00 C ATOM 379 OE1 GLN A 24 -15.156 -5.287 -10.144 1.00 0.00 O ATOM 380 NE2 GLN A 24 -13.599 -6.113 -11.536 1.00 0.00 N ATOM 0 H GLN A 24 -10.282 -4.109 -7.836 1.00 0.00 H new ATOM 0 HA GLN A 24 -11.698 -4.082 -10.394 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -12.271 -4.752 -7.554 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -13.592 -3.979 -8.408 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -12.138 -6.373 -9.556 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -13.473 -6.554 -8.436 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -12.655 -6.481 -11.649 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -14.216 -6.032 -12.345 1.00 0.00 H new ATOM 389 N PHE A 25 -11.388 -1.492 -8.486 1.00 0.00 N ATOM 390 CA PHE A 25 -11.673 -0.065 -8.365 1.00 0.00 C ATOM 391 C PHE A 25 -10.509 0.778 -8.879 1.00 0.00 C ATOM 392 O PHE A 25 -10.710 1.883 -9.385 1.00 0.00 O ATOM 393 CB PHE A 25 -11.967 0.292 -6.906 1.00 0.00 C ATOM 394 CG PHE A 25 -12.780 1.545 -6.747 1.00 0.00 C ATOM 395 CD1 PHE A 25 -12.181 2.790 -6.824 1.00 0.00 C ATOM 396 CD2 PHE A 25 -14.146 1.475 -6.519 1.00 0.00 C ATOM 397 CE1 PHE A 25 -12.926 3.945 -6.676 1.00 0.00 C ATOM 398 CE2 PHE A 25 -14.897 2.625 -6.372 1.00 0.00 C ATOM 399 CZ PHE A 25 -14.287 3.862 -6.449 1.00 0.00 C ATOM 0 H PHE A 25 -10.639 -1.827 -7.879 1.00 0.00 H new ATOM 0 HA PHE A 25 -12.549 0.154 -8.975 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -12.497 -0.537 -6.437 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -11.024 0.410 -6.372 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -11.118 2.860 -7.002 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -14.628 0.511 -6.456 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -12.446 4.910 -6.738 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -15.961 2.557 -6.197 1.00 0.00 H new ATOM 0 HZ PHE A 25 -14.872 4.762 -6.332 1.00 0.00 H new ATOM 409 N GLY A 26 -9.294 0.257 -8.743 1.00 0.00 N ATOM 410 CA GLY A 26 -8.122 0.985 -9.194 1.00 0.00 C ATOM 411 C GLY A 26 -7.359 0.265 -10.293 1.00 0.00 C ATOM 412 O GLY A 26 -6.355 0.776 -10.789 1.00 0.00 O ATOM 0 H GLY A 26 -9.100 -0.655 -8.329 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.428 1.966 -9.556 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.457 1.151 -8.347 1.00 0.00 H new ATOM 416 N LYS A 27 -7.830 -0.923 -10.674 1.00 0.00 N ATOM 417 CA LYS A 27 -7.183 -1.713 -11.721 1.00 0.00 C ATOM 418 C LYS A 27 -5.666 -1.744 -11.537 1.00 0.00 C ATOM 419 O LYS A 27 -4.910 -1.595 -12.498 1.00 0.00 O ATOM 420 CB LYS A 27 -7.535 -1.158 -13.104 1.00 0.00 C ATOM 421 CG LYS A 27 -6.973 0.229 -13.372 1.00 0.00 C ATOM 422 CD LYS A 27 -6.881 0.515 -14.862 1.00 0.00 C ATOM 423 CE LYS A 27 -6.375 1.924 -15.129 1.00 0.00 C ATOM 424 NZ LYS A 27 -6.505 2.296 -16.565 1.00 0.00 N ATOM 0 H LYS A 27 -8.659 -1.360 -10.272 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.554 -2.735 -11.643 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.163 -1.844 -13.865 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.620 -1.126 -13.207 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.606 0.977 -12.895 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.984 0.315 -12.922 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.214 -0.207 -15.332 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.862 0.387 -15.319 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.934 2.633 -14.518 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.330 1.998 -14.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.605 2.692 -16.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.743 1.451 -17.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.258 3.005 -16.673 1.00 0.00 H new ATOM 438 N VAL A 28 -5.231 -1.940 -10.296 1.00 0.00 N ATOM 439 CA VAL A 28 -3.808 -1.992 -9.983 1.00 0.00 C ATOM 440 C VAL A 28 -3.091 -3.035 -10.839 1.00 0.00 C ATOM 441 O VAL A 28 -3.687 -4.030 -11.248 1.00 0.00 O ATOM 442 CB VAL A 28 -3.573 -2.310 -8.493 1.00 0.00 C ATOM 443 CG1 VAL A 28 -4.139 -3.677 -8.139 1.00 0.00 C ATOM 444 CG2 VAL A 28 -2.092 -2.233 -8.154 1.00 0.00 C ATOM 0 H VAL A 28 -5.844 -2.065 -9.491 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.399 -1.006 -10.204 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.096 -1.562 -7.897 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.962 -3.882 -7.083 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.211 -3.689 -8.337 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.650 -4.441 -8.743 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.948 -2.461 -7.098 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.542 -2.954 -8.759 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.723 -1.229 -8.362 1.00 0.00 H new ATOM 454 N PHE A 29 -1.811 -2.796 -11.104 1.00 0.00 N ATOM 455 CA PHE A 29 -1.015 -3.713 -11.911 1.00 0.00 C ATOM 456 C PHE A 29 -0.305 -4.739 -11.034 1.00 0.00 C ATOM 457 O PHE A 29 -0.389 -5.943 -11.276 1.00 0.00 O ATOM 458 CB PHE A 29 0.010 -2.937 -12.741 1.00 0.00 C ATOM 459 CG PHE A 29 -0.609 -2.054 -13.785 1.00 0.00 C ATOM 460 CD1 PHE A 29 -0.952 -0.743 -13.489 1.00 0.00 C ATOM 461 CD2 PHE A 29 -0.850 -2.532 -15.063 1.00 0.00 C ATOM 462 CE1 PHE A 29 -1.522 0.072 -14.448 1.00 0.00 C ATOM 463 CE2 PHE A 29 -1.421 -1.722 -16.026 1.00 0.00 C ATOM 464 CZ PHE A 29 -1.756 -0.417 -15.718 1.00 0.00 C ATOM 0 H PHE A 29 -1.303 -1.976 -10.772 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.690 -4.244 -12.582 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.618 -2.326 -12.074 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.682 -3.644 -13.227 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.771 -0.355 -12.497 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.588 -3.550 -15.310 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.784 1.091 -14.205 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.605 -2.108 -17.018 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.200 0.219 -16.469 1.00 0.00 H new ATOM 474 N ASN A 30 0.397 -4.255 -10.014 1.00 0.00 N ATOM 475 CA ASN A 30 1.123 -5.132 -9.103 1.00 0.00 C ATOM 476 C ASN A 30 0.987 -4.656 -7.661 1.00 0.00 C ATOM 477 O ASN A 30 0.699 -3.487 -7.406 1.00 0.00 O ATOM 478 CB ASN A 30 2.601 -5.195 -9.493 1.00 0.00 C ATOM 479 CG ASN A 30 2.872 -6.229 -10.568 1.00 0.00 C ATOM 480 OD1 ASN A 30 3.430 -5.917 -11.620 1.00 0.00 O ATOM 481 ND2 ASN A 30 2.474 -7.470 -10.310 1.00 0.00 N ATOM 0 H ASN A 30 0.478 -3.261 -9.798 1.00 0.00 H new ATOM 0 HA ASN A 30 0.690 -6.129 -9.179 1.00 0.00 H new ATOM 0 HB2 ASN A 30 2.923 -4.215 -9.846 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.197 -5.428 -8.611 1.00 0.00 H new ATOM 0 HD21 ASN A 30 2.627 -8.208 -10.997 1.00 0.00 H new ATOM 0 HD22 ASN A 30 2.015 -7.685 -9.425 1.00 0.00 H new ATOM 488 N VAL A 31 1.198 -5.572 -6.720 1.00 0.00 N ATOM 489 CA VAL A 31 1.101 -5.249 -5.302 1.00 0.00 C ATOM 490 C VAL A 31 2.010 -6.151 -4.473 1.00 0.00 C ATOM 491 O VAL A 31 1.652 -7.284 -4.153 1.00 0.00 O ATOM 492 CB VAL A 31 -0.346 -5.387 -4.791 1.00 0.00 C ATOM 493 CG1 VAL A 31 -0.459 -4.881 -3.360 1.00 0.00 C ATOM 494 CG2 VAL A 31 -1.308 -4.645 -5.704 1.00 0.00 C ATOM 0 H VAL A 31 1.437 -6.544 -6.915 1.00 0.00 H new ATOM 0 HA VAL A 31 1.419 -4.212 -5.190 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.615 -6.443 -4.800 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.488 -4.987 -3.017 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.200 -5.463 -2.715 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.170 -3.831 -3.322 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.325 -4.754 -5.327 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.042 -3.588 -5.731 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.248 -5.060 -6.710 1.00 0.00 H new ATOM 504 N LYS A 32 3.188 -5.640 -4.130 1.00 0.00 N ATOM 505 CA LYS A 32 4.149 -6.402 -3.339 1.00 0.00 C ATOM 506 C LYS A 32 4.369 -5.756 -1.976 1.00 0.00 C ATOM 507 O LYS A 32 3.977 -4.610 -1.749 1.00 0.00 O ATOM 508 CB LYS A 32 5.481 -6.510 -4.084 1.00 0.00 C ATOM 509 CG LYS A 32 5.985 -5.182 -4.628 1.00 0.00 C ATOM 510 CD LYS A 32 5.929 -5.140 -6.147 1.00 0.00 C ATOM 511 CE LYS A 32 6.929 -4.146 -6.715 1.00 0.00 C ATOM 512 NZ LYS A 32 6.267 -2.895 -7.177 1.00 0.00 N ATOM 0 H LYS A 32 3.500 -4.703 -4.387 1.00 0.00 H new ATOM 0 HA LYS A 32 3.742 -7.401 -3.185 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.231 -6.925 -3.411 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.370 -7.212 -4.910 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.384 -4.370 -4.219 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.011 -5.018 -4.297 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.134 -6.133 -6.547 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.923 -4.869 -6.468 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.672 -3.904 -5.955 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.462 -4.604 -7.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.941 -2.105 -7.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.950 -3.013 -8.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.447 -2.692 -6.571 1.00 0.00 H new ATOM 526 N LEU A 33 4.999 -6.498 -1.072 1.00 0.00 N ATOM 527 CA LEU A 33 5.275 -6.000 0.271 1.00 0.00 C ATOM 528 C LEU A 33 6.655 -6.444 0.741 1.00 0.00 C ATOM 529 O LEU A 33 7.338 -7.208 0.058 1.00 0.00 O ATOM 530 CB LEU A 33 4.206 -6.491 1.249 1.00 0.00 C ATOM 531 CG LEU A 33 2.763 -6.214 0.826 1.00 0.00 C ATOM 532 CD1 LEU A 33 1.795 -7.055 1.643 1.00 0.00 C ATOM 533 CD2 LEU A 33 2.441 -4.734 0.972 1.00 0.00 C ATOM 0 H LEU A 33 5.329 -7.448 -1.245 1.00 0.00 H new ATOM 0 HA LEU A 33 5.255 -4.911 0.240 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.328 -7.565 1.387 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.380 -6.024 2.218 1.00 0.00 H new ATOM 0 HG LEU A 33 2.653 -6.489 -0.223 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.773 -6.844 1.327 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.011 -8.112 1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.905 -6.813 2.700 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.410 -4.554 0.667 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.569 -4.435 2.012 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.113 -4.152 0.342 1.00 0.00 H new ATOM 545 N ILE A 34 7.059 -5.965 1.913 1.00 0.00 N ATOM 546 CA ILE A 34 8.359 -6.315 2.474 1.00 0.00 C ATOM 547 C ILE A 34 8.205 -7.019 3.817 1.00 0.00 C ATOM 548 O ILE A 34 7.089 -7.249 4.285 1.00 0.00 O ATOM 549 CB ILE A 34 9.249 -5.071 2.655 1.00 0.00 C ATOM 550 CG1 ILE A 34 8.587 -4.070 3.604 1.00 0.00 C ATOM 551 CG2 ILE A 34 9.534 -4.423 1.308 1.00 0.00 C ATOM 552 CD1 ILE A 34 9.116 -4.142 5.021 1.00 0.00 C ATOM 0 H ILE A 34 6.505 -5.334 2.492 1.00 0.00 H new ATOM 0 HA ILE A 34 8.837 -6.991 1.765 1.00 0.00 H new ATOM 0 HB ILE A 34 10.196 -5.384 3.095 1.00 0.00 H new ATOM 0 HG12 ILE A 34 8.738 -3.062 3.219 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.512 -4.249 3.616 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.164 -3.545 1.452 1.00 0.00 H new ATOM 0 HG22 ILE A 34 10.047 -5.136 0.663 1.00 0.00 H new ATOM 0 HG23 ILE A 34 8.595 -4.123 0.843 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.603 -3.405 5.639 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.941 -5.139 5.425 1.00 0.00 H new ATOM 0 HD13 ILE A 34 10.186 -3.933 5.021 1.00 0.00 H new ATOM 564 N TYR A 35 9.331 -7.363 4.434 1.00 0.00 N ATOM 565 CA TYR A 35 9.318 -8.043 5.723 1.00 0.00 C ATOM 566 C TYR A 35 10.248 -7.353 6.716 1.00 0.00 C ATOM 567 O TYR A 35 10.880 -6.346 6.395 1.00 0.00 O ATOM 568 CB TYR A 35 9.732 -9.507 5.554 1.00 0.00 C ATOM 569 CG TYR A 35 8.888 -10.261 4.551 1.00 0.00 C ATOM 570 CD1 TYR A 35 7.595 -10.662 4.864 1.00 0.00 C ATOM 571 CD2 TYR A 35 9.385 -10.574 3.293 1.00 0.00 C ATOM 572 CE1 TYR A 35 6.822 -11.352 3.950 1.00 0.00 C ATOM 573 CE2 TYR A 35 8.618 -11.264 2.373 1.00 0.00 C ATOM 574 CZ TYR A 35 7.337 -11.651 2.708 1.00 0.00 C ATOM 575 OH TYR A 35 6.570 -12.338 1.795 1.00 0.00 O ATOM 0 H TYR A 35 10.263 -7.182 4.062 1.00 0.00 H new ATOM 0 HA TYR A 35 8.302 -8.000 6.116 1.00 0.00 H new ATOM 0 HB2 TYR A 35 10.776 -9.547 5.242 1.00 0.00 H new ATOM 0 HB3 TYR A 35 9.668 -10.008 6.520 1.00 0.00 H new ATOM 0 HD1 TYR A 35 7.188 -10.431 5.837 1.00 0.00 H new ATOM 0 HD2 TYR A 35 10.388 -10.273 3.029 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.818 -11.656 4.208 1.00 0.00 H new ATOM 0 HE2 TYR A 35 9.019 -11.499 1.398 1.00 0.00 H new ATOM 0 HH TYR A 35 7.081 -12.467 0.969 1.00 0.00 H new ATOM 585 N ASP A 36 10.327 -7.903 7.923 1.00 0.00 N ATOM 586 CA ASP A 36 11.180 -7.343 8.967 1.00 0.00 C ATOM 587 C ASP A 36 12.643 -7.317 8.529 1.00 0.00 C ATOM 588 O ASP A 36 13.450 -6.571 9.083 1.00 0.00 O ATOM 589 CB ASP A 36 11.036 -8.153 10.256 1.00 0.00 C ATOM 590 CG ASP A 36 11.016 -7.275 11.492 1.00 0.00 C ATOM 591 OD1 ASP A 36 9.970 -6.647 11.757 1.00 0.00 O ATOM 592 OD2 ASP A 36 12.048 -7.213 12.193 1.00 0.00 O ATOM 0 H ASP A 36 9.811 -8.737 8.203 1.00 0.00 H new ATOM 0 HA ASP A 36 10.860 -6.317 9.149 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.117 -8.737 10.214 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.861 -8.862 10.331 1.00 0.00 H new ATOM 597 N ARG A 37 12.980 -8.137 7.536 1.00 0.00 N ATOM 598 CA ARG A 37 14.348 -8.206 7.030 1.00 0.00 C ATOM 599 C ARG A 37 15.271 -8.857 8.055 1.00 0.00 C ATOM 600 O ARG A 37 16.432 -8.474 8.193 1.00 0.00 O ATOM 601 CB ARG A 37 14.863 -6.809 6.676 1.00 0.00 C ATOM 602 CG ARG A 37 16.025 -6.819 5.695 1.00 0.00 C ATOM 603 CD ARG A 37 15.540 -6.844 4.254 1.00 0.00 C ATOM 604 NE ARG A 37 16.144 -5.782 3.454 1.00 0.00 N ATOM 605 CZ ARG A 37 15.739 -4.513 3.479 1.00 0.00 C ATOM 606 NH1 ARG A 37 14.731 -4.147 4.261 1.00 0.00 N ATOM 607 NH2 ARG A 37 16.344 -3.610 2.720 1.00 0.00 N ATOM 0 H ARG A 37 12.325 -8.762 7.066 1.00 0.00 H new ATOM 0 HA ARG A 37 14.342 -8.817 6.128 1.00 0.00 H new ATOM 0 HB2 ARG A 37 14.045 -6.226 6.252 1.00 0.00 H new ATOM 0 HB3 ARG A 37 15.174 -6.303 7.590 1.00 0.00 H new ATOM 0 HG2 ARG A 37 16.645 -5.937 5.856 1.00 0.00 H new ATOM 0 HG3 ARG A 37 16.654 -7.689 5.883 1.00 0.00 H new ATOM 0 HD2 ARG A 37 15.775 -7.811 3.809 1.00 0.00 H new ATOM 0 HD3 ARG A 37 14.455 -6.740 4.235 1.00 0.00 H new ATOM 0 HE ARG A 37 16.921 -6.026 2.840 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.263 -4.839 4.846 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.425 -3.174 4.277 1.00 0.00 H new ATOM 0 HH21 ARG A 37 17.119 -3.887 2.117 1.00 0.00 H new ATOM 0 HH22 ARG A 37 16.034 -2.638 2.739 1.00 0.00 H new ATOM 621 N GLU A 38 14.742 -9.844 8.771 1.00 0.00 N ATOM 622 CA GLU A 38 15.513 -10.553 9.786 1.00 0.00 C ATOM 623 C GLU A 38 14.705 -11.709 10.369 1.00 0.00 C ATOM 624 O GLU A 38 15.239 -12.791 10.613 1.00 0.00 O ATOM 625 CB GLU A 38 15.933 -9.594 10.902 1.00 0.00 C ATOM 626 CG GLU A 38 14.829 -8.647 11.342 1.00 0.00 C ATOM 627 CD GLU A 38 15.178 -7.893 12.609 1.00 0.00 C ATOM 628 OE1 GLU A 38 14.963 -8.445 13.708 1.00 0.00 O ATOM 629 OE2 GLU A 38 15.665 -6.747 12.503 1.00 0.00 O ATOM 0 H GLU A 38 13.782 -10.171 8.667 1.00 0.00 H new ATOM 0 HA GLU A 38 16.407 -10.958 9.312 1.00 0.00 H new ATOM 0 HB2 GLU A 38 16.265 -10.175 11.762 1.00 0.00 H new ATOM 0 HB3 GLU A 38 16.788 -9.009 10.563 1.00 0.00 H new ATOM 0 HG2 GLU A 38 14.628 -7.934 10.543 1.00 0.00 H new ATOM 0 HG3 GLU A 38 13.912 -9.214 11.502 1.00 0.00 H new ATOM 636 N THR A 39 13.416 -11.471 10.588 1.00 0.00 N ATOM 637 CA THR A 39 12.532 -12.493 11.141 1.00 0.00 C ATOM 638 C THR A 39 11.630 -13.089 10.061 1.00 0.00 C ATOM 639 O THR A 39 10.949 -14.088 10.294 1.00 0.00 O ATOM 640 CB THR A 39 11.676 -11.902 12.262 1.00 0.00 C ATOM 641 OG1 THR A 39 11.400 -10.534 12.015 1.00 0.00 O ATOM 642 CG2 THR A 39 12.324 -12.001 13.625 1.00 0.00 C ATOM 0 H THR A 39 12.960 -10.580 10.391 1.00 0.00 H new ATOM 0 HA THR A 39 13.156 -13.291 11.545 1.00 0.00 H new ATOM 0 HB THR A 39 10.761 -12.494 12.269 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.850 -10.175 12.742 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.664 -11.564 14.374 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.504 -13.048 13.867 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.272 -11.462 13.617 1.00 0.00 H new ATOM 650 N LYS A 40 11.624 -12.472 8.880 1.00 0.00 N ATOM 651 CA LYS A 40 10.802 -12.947 7.772 1.00 0.00 C ATOM 652 C LYS A 40 9.318 -12.780 8.091 1.00 0.00 C ATOM 653 O LYS A 40 8.483 -13.566 7.642 1.00 0.00 O ATOM 654 CB LYS A 40 11.113 -14.415 7.464 1.00 0.00 C ATOM 655 CG LYS A 40 11.921 -14.610 6.191 1.00 0.00 C ATOM 656 CD LYS A 40 13.269 -13.911 6.273 1.00 0.00 C ATOM 657 CE LYS A 40 13.757 -13.478 4.900 1.00 0.00 C ATOM 658 NZ LYS A 40 14.996 -12.657 4.982 1.00 0.00 N ATOM 0 H LYS A 40 12.179 -11.643 8.668 1.00 0.00 H new ATOM 0 HA LYS A 40 11.037 -12.347 6.893 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.661 -14.846 8.302 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.177 -14.966 7.378 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.072 -15.675 6.015 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.360 -14.223 5.340 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.189 -13.040 6.923 1.00 0.00 H new ATOM 0 HD3 LYS A 40 14.000 -14.581 6.726 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.946 -14.360 4.288 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.975 -12.905 4.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 15.295 -12.383 4.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.810 -11.802 5.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 15.751 -13.211 5.435 1.00 0.00 H new ATOM 672 N LYS A 41 8.998 -11.750 8.868 1.00 0.00 N ATOM 673 CA LYS A 41 7.617 -11.478 9.247 1.00 0.00 C ATOM 674 C LYS A 41 7.116 -10.189 8.595 1.00 0.00 C ATOM 675 O LYS A 41 7.787 -9.158 8.653 1.00 0.00 O ATOM 676 CB LYS A 41 7.496 -11.370 10.768 1.00 0.00 C ATOM 677 CG LYS A 41 7.768 -12.677 11.495 1.00 0.00 C ATOM 678 CD LYS A 41 7.425 -12.573 12.972 1.00 0.00 C ATOM 679 CE LYS A 41 8.664 -12.317 13.815 1.00 0.00 C ATOM 680 NZ LYS A 41 8.339 -12.210 15.264 1.00 0.00 N ATOM 0 H LYS A 41 9.677 -11.090 9.247 1.00 0.00 H new ATOM 0 HA LYS A 41 7.001 -12.306 8.896 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.193 -10.613 11.127 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.493 -11.025 11.021 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.183 -13.477 11.040 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.818 -12.946 11.382 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.707 -11.767 13.124 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.944 -13.494 13.301 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.380 -13.125 13.662 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.145 -11.397 13.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.211 -12.035 15.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.676 -11.423 15.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.903 -13.097 15.588 1.00 0.00 H new ATOM 694 N PRO A 42 5.928 -10.225 7.963 1.00 0.00 N ATOM 695 CA PRO A 42 5.351 -9.049 7.304 1.00 0.00 C ATOM 696 C PRO A 42 5.275 -7.843 8.235 1.00 0.00 C ATOM 697 O PRO A 42 4.498 -7.832 9.190 1.00 0.00 O ATOM 698 CB PRO A 42 3.944 -9.510 6.913 1.00 0.00 C ATOM 699 CG PRO A 42 4.047 -10.992 6.811 1.00 0.00 C ATOM 700 CD PRO A 42 5.057 -11.409 7.842 1.00 0.00 C ATOM 0 HA PRO A 42 5.955 -8.721 6.459 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.208 -9.215 7.661 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.631 -9.069 5.967 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.082 -11.464 6.997 1.00 0.00 H new ATOM 0 HG3 PRO A 42 4.362 -11.293 5.812 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.583 -11.658 8.791 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.616 -12.289 7.524 1.00 0.00 H new ATOM 708 N LYS A 43 6.086 -6.830 7.951 1.00 0.00 N ATOM 709 CA LYS A 43 6.110 -5.620 8.763 1.00 0.00 C ATOM 710 C LYS A 43 7.065 -4.587 8.173 1.00 0.00 C ATOM 711 O LYS A 43 8.231 -4.882 7.912 1.00 0.00 O ATOM 712 CB LYS A 43 6.523 -5.953 10.199 1.00 0.00 C ATOM 713 CG LYS A 43 6.595 -4.740 11.111 1.00 0.00 C ATOM 714 CD LYS A 43 7.934 -4.028 10.985 1.00 0.00 C ATOM 715 CE LYS A 43 8.395 -3.470 12.321 1.00 0.00 C ATOM 716 NZ LYS A 43 9.088 -4.498 13.143 1.00 0.00 N ATOM 0 H LYS A 43 6.735 -6.823 7.164 1.00 0.00 H new ATOM 0 HA LYS A 43 5.106 -5.197 8.770 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.813 -6.668 10.615 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.497 -6.443 10.183 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.789 -4.049 10.864 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.442 -5.051 12.145 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.682 -4.722 10.602 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.850 -3.218 10.261 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.067 -2.629 12.151 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.535 -3.086 12.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.507 -4.728 13.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.234 -5.357 12.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.009 -4.130 13.456 1.00 0.00 H new ATOM 730 N GLY A 44 6.562 -3.373 7.966 1.00 0.00 N ATOM 731 CA GLY A 44 7.384 -2.316 7.410 1.00 0.00 C ATOM 732 C GLY A 44 6.618 -1.424 6.453 1.00 0.00 C ATOM 733 O GLY A 44 6.202 -0.325 6.818 1.00 0.00 O ATOM 0 H GLY A 44 5.600 -3.104 8.174 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.788 -1.710 8.221 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.233 -2.757 6.888 1.00 0.00 H new ATOM 737 N PHE A 45 6.431 -1.898 5.226 1.00 0.00 N ATOM 738 CA PHE A 45 5.711 -1.133 4.213 1.00 0.00 C ATOM 739 C PHE A 45 5.379 -2.002 3.004 1.00 0.00 C ATOM 740 O PHE A 45 5.657 -3.201 2.994 1.00 0.00 O ATOM 741 CB PHE A 45 6.541 0.075 3.774 1.00 0.00 C ATOM 742 CG PHE A 45 7.895 -0.292 3.236 1.00 0.00 C ATOM 743 CD1 PHE A 45 8.986 -0.398 4.084 1.00 0.00 C ATOM 744 CD2 PHE A 45 8.077 -0.533 1.884 1.00 0.00 C ATOM 745 CE1 PHE A 45 10.233 -0.737 3.593 1.00 0.00 C ATOM 746 CE2 PHE A 45 9.321 -0.871 1.387 1.00 0.00 C ATOM 747 CZ PHE A 45 10.401 -0.973 2.242 1.00 0.00 C ATOM 0 H PHE A 45 6.767 -2.807 4.909 1.00 0.00 H new ATOM 0 HA PHE A 45 4.776 -0.785 4.653 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.992 0.625 3.010 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.666 0.748 4.623 1.00 0.00 H new ATOM 0 HD1 PHE A 45 8.861 -0.214 5.141 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.236 -0.456 1.210 1.00 0.00 H new ATOM 0 HE1 PHE A 45 11.075 -0.817 4.265 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.449 -1.055 0.331 1.00 0.00 H new ATOM 0 HZ PHE A 45 11.374 -1.237 1.855 1.00 0.00 H new ATOM 757 N GLY A 46 4.783 -1.389 1.988 1.00 0.00 N ATOM 758 CA GLY A 46 4.423 -2.118 0.787 1.00 0.00 C ATOM 759 C GLY A 46 4.597 -1.289 -0.470 1.00 0.00 C ATOM 760 O GLY A 46 4.813 -0.079 -0.397 1.00 0.00 O ATOM 0 H GLY A 46 4.542 -0.398 1.975 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.036 -3.016 0.714 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.386 -2.445 0.862 1.00 0.00 H new ATOM 764 N PHE A 47 4.504 -1.939 -1.625 1.00 0.00 N ATOM 765 CA PHE A 47 4.654 -1.252 -2.903 1.00 0.00 C ATOM 766 C PHE A 47 3.492 -1.575 -3.837 1.00 0.00 C ATOM 767 O PHE A 47 3.135 -2.739 -4.020 1.00 0.00 O ATOM 768 CB PHE A 47 5.981 -1.639 -3.561 1.00 0.00 C ATOM 769 CG PHE A 47 6.869 -0.465 -3.860 1.00 0.00 C ATOM 770 CD1 PHE A 47 7.719 0.042 -2.890 1.00 0.00 C ATOM 771 CD2 PHE A 47 6.851 0.131 -5.111 1.00 0.00 C ATOM 772 CE1 PHE A 47 8.536 1.122 -3.163 1.00 0.00 C ATOM 773 CE2 PHE A 47 7.667 1.213 -5.389 1.00 0.00 C ATOM 774 CZ PHE A 47 8.510 1.708 -4.414 1.00 0.00 C ATOM 0 H PHE A 47 4.326 -2.940 -1.703 1.00 0.00 H new ATOM 0 HA PHE A 47 4.651 -0.179 -2.713 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.514 -2.329 -2.907 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.775 -2.173 -4.488 1.00 0.00 H new ATOM 0 HD1 PHE A 47 7.743 -0.412 -1.910 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.193 -0.253 -5.877 1.00 0.00 H new ATOM 0 HE1 PHE A 47 9.195 1.508 -2.399 1.00 0.00 H new ATOM 0 HE2 PHE A 47 7.645 1.670 -6.367 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.148 2.552 -4.629 1.00 0.00 H new ATOM 784 N VAL A 48 2.908 -0.538 -4.427 1.00 0.00 N ATOM 785 CA VAL A 48 1.786 -0.710 -5.345 1.00 0.00 C ATOM 786 C VAL A 48 2.064 -0.028 -6.680 1.00 0.00 C ATOM 787 O VAL A 48 2.706 1.021 -6.731 1.00 0.00 O ATOM 788 CB VAL A 48 0.482 -0.144 -4.752 1.00 0.00 C ATOM 789 CG1 VAL A 48 -0.701 -0.464 -5.655 1.00 0.00 C ATOM 790 CG2 VAL A 48 0.251 -0.685 -3.348 1.00 0.00 C ATOM 0 H VAL A 48 3.192 0.431 -4.286 1.00 0.00 H new ATOM 0 HA VAL A 48 1.666 -1.782 -5.504 1.00 0.00 H new ATOM 0 HB VAL A 48 0.578 0.940 -4.687 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.613 -0.056 -5.219 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.539 -0.021 -6.638 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.800 -1.545 -5.756 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.675 -0.273 -2.947 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.179 -1.772 -3.384 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.084 -0.398 -2.706 1.00 0.00 H new ATOM 800 N GLU A 49 1.577 -0.631 -7.760 1.00 0.00 N ATOM 801 CA GLU A 49 1.774 -0.081 -9.097 1.00 0.00 C ATOM 802 C GLU A 49 0.446 0.353 -9.709 1.00 0.00 C ATOM 803 O GLU A 49 -0.424 -0.474 -9.980 1.00 0.00 O ATOM 804 CB GLU A 49 2.452 -1.111 -10.000 1.00 0.00 C ATOM 805 CG GLU A 49 3.394 -0.497 -11.023 1.00 0.00 C ATOM 806 CD GLU A 49 4.822 -0.410 -10.524 1.00 0.00 C ATOM 807 OE1 GLU A 49 5.192 -1.211 -9.640 1.00 0.00 O ATOM 808 OE2 GLU A 49 5.571 0.461 -11.015 1.00 0.00 O ATOM 0 H GLU A 49 1.043 -1.500 -7.736 1.00 0.00 H new ATOM 0 HA GLU A 49 2.417 0.795 -9.010 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.010 -1.814 -9.381 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.686 -1.684 -10.522 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.368 -1.090 -11.937 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.042 0.502 -11.282 1.00 0.00 H new ATOM 815 N MET A 50 0.298 1.656 -9.927 1.00 0.00 N ATOM 816 CA MET A 50 -0.923 2.201 -10.509 1.00 0.00 C ATOM 817 C MET A 50 -0.605 3.340 -11.472 1.00 0.00 C ATOM 818 O MET A 50 0.528 3.816 -11.532 1.00 0.00 O ATOM 819 CB MET A 50 -1.861 2.695 -9.407 1.00 0.00 C ATOM 820 CG MET A 50 -2.828 1.633 -8.909 1.00 0.00 C ATOM 821 SD MET A 50 -4.228 2.332 -8.015 1.00 0.00 S ATOM 822 CE MET A 50 -3.393 3.110 -6.634 1.00 0.00 C ATOM 0 H MET A 50 1.009 2.354 -9.709 1.00 0.00 H new ATOM 0 HA MET A 50 -1.417 1.406 -11.067 1.00 0.00 H new ATOM 0 HB2 MET A 50 -1.265 3.054 -8.568 1.00 0.00 H new ATOM 0 HB3 MET A 50 -2.430 3.546 -9.781 1.00 0.00 H new ATOM 0 HG2 MET A 50 -3.195 1.056 -9.757 1.00 0.00 H new ATOM 0 HG3 MET A 50 -2.296 0.940 -8.258 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.128 3.416 -5.890 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.696 2.403 -6.185 1.00 0.00 H new ATOM 0 HE3 MET A 50 -2.846 3.985 -6.986 1.00 0.00 H new ATOM 832 N GLN A 51 -1.613 3.771 -12.225 1.00 0.00 N ATOM 833 CA GLN A 51 -1.439 4.855 -13.185 1.00 0.00 C ATOM 834 C GLN A 51 -1.440 6.209 -12.484 1.00 0.00 C ATOM 835 O GLN A 51 -2.018 6.361 -11.407 1.00 0.00 O ATOM 836 CB GLN A 51 -2.547 4.812 -14.239 1.00 0.00 C ATOM 837 CG GLN A 51 -2.445 3.622 -15.181 1.00 0.00 C ATOM 838 CD GLN A 51 -2.783 3.982 -16.614 1.00 0.00 C ATOM 839 OE1 GLN A 51 -3.648 3.362 -17.234 1.00 0.00 O ATOM 840 NE2 GLN A 51 -2.102 4.988 -17.148 1.00 0.00 N ATOM 0 H GLN A 51 -2.557 3.387 -12.189 1.00 0.00 H new ATOM 0 HA GLN A 51 -0.475 4.722 -13.675 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.514 4.785 -13.737 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.517 5.731 -14.824 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.434 3.217 -15.141 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.117 2.835 -14.840 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.394 5.474 -16.597 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.287 5.276 -18.109 1.00 0.00 H new ATOM 849 N GLU A 52 -0.790 7.190 -13.101 1.00 0.00 N ATOM 850 CA GLU A 52 -0.714 8.533 -12.535 1.00 0.00 C ATOM 851 C GLU A 52 -2.060 9.242 -12.634 1.00 0.00 C ATOM 852 O GLU A 52 -2.371 9.872 -13.646 1.00 0.00 O ATOM 853 CB GLU A 52 0.362 9.353 -13.248 1.00 0.00 C ATOM 854 CG GLU A 52 0.295 9.260 -14.764 1.00 0.00 C ATOM 855 CD GLU A 52 1.075 10.365 -15.451 1.00 0.00 C ATOM 856 OE1 GLU A 52 1.138 11.481 -14.894 1.00 0.00 O ATOM 857 OE2 GLU A 52 1.621 10.114 -16.546 1.00 0.00 O ATOM 0 H GLU A 52 -0.308 7.081 -13.993 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.449 8.440 -11.482 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.266 10.398 -12.952 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.344 9.016 -12.915 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.685 8.293 -15.083 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.747 9.304 -15.081 1.00 0.00 H new ATOM 864 N GLU A 53 -2.853 9.136 -11.575 1.00 0.00 N ATOM 865 CA GLU A 53 -4.167 9.764 -11.530 1.00 0.00 C ATOM 866 C GLU A 53 -4.782 9.614 -10.144 1.00 0.00 C ATOM 867 O GLU A 53 -5.250 10.586 -9.551 1.00 0.00 O ATOM 868 CB GLU A 53 -5.089 9.146 -12.584 1.00 0.00 C ATOM 869 CG GLU A 53 -5.308 10.034 -13.798 1.00 0.00 C ATOM 870 CD GLU A 53 -5.511 9.239 -15.072 1.00 0.00 C ATOM 871 OE1 GLU A 53 -4.591 8.485 -15.455 1.00 0.00 O ATOM 872 OE2 GLU A 53 -6.589 9.369 -15.688 1.00 0.00 O ATOM 0 H GLU A 53 -2.607 8.618 -10.732 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.049 10.826 -11.746 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.667 8.196 -12.911 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.054 8.926 -12.127 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.178 10.668 -13.627 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.450 10.695 -13.919 1.00 0.00 H new ATOM 879 N SER A 54 -4.768 8.389 -9.632 1.00 0.00 N ATOM 880 CA SER A 54 -5.316 8.105 -8.311 1.00 0.00 C ATOM 881 C SER A 54 -4.246 8.254 -7.231 1.00 0.00 C ATOM 882 O SER A 54 -4.560 8.333 -6.044 1.00 0.00 O ATOM 883 CB SER A 54 -5.899 6.691 -8.275 1.00 0.00 C ATOM 884 OG SER A 54 -7.087 6.650 -7.503 1.00 0.00 O ATOM 0 H SER A 54 -4.383 7.576 -10.112 1.00 0.00 H new ATOM 0 HA SER A 54 -6.109 8.826 -8.111 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.109 6.355 -9.290 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.165 6.002 -7.857 1.00 0.00 H new ATOM 0 HG SER A 54 -7.441 5.736 -7.496 1.00 0.00 H new ATOM 890 N VAL A 55 -2.981 8.291 -7.646 1.00 0.00 N ATOM 891 CA VAL A 55 -1.874 8.429 -6.708 1.00 0.00 C ATOM 892 C VAL A 55 -1.893 9.796 -6.030 1.00 0.00 C ATOM 893 O VAL A 55 -1.615 9.912 -4.837 1.00 0.00 O ATOM 894 CB VAL A 55 -0.517 8.236 -7.409 1.00 0.00 C ATOM 895 CG1 VAL A 55 0.612 8.189 -6.391 1.00 0.00 C ATOM 896 CG2 VAL A 55 -0.530 6.975 -8.260 1.00 0.00 C ATOM 0 H VAL A 55 -2.700 8.227 -8.624 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.000 7.651 -5.955 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.345 9.089 -8.066 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.562 8.052 -6.907 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.635 9.123 -5.830 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.449 7.358 -5.705 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.437 6.855 -8.748 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.726 6.110 -7.626 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.310 7.055 -9.017 1.00 0.00 H new ATOM 906 N SER A 56 -2.219 10.829 -6.799 1.00 0.00 N ATOM 907 CA SER A 56 -2.270 12.189 -6.272 1.00 0.00 C ATOM 908 C SER A 56 -3.517 12.404 -5.417 1.00 0.00 C ATOM 909 O SER A 56 -3.538 13.268 -4.542 1.00 0.00 O ATOM 910 CB SER A 56 -2.244 13.202 -7.420 1.00 0.00 C ATOM 911 OG SER A 56 -1.300 14.230 -7.171 1.00 0.00 O ATOM 0 H SER A 56 -2.452 10.751 -7.789 1.00 0.00 H new ATOM 0 HA SER A 56 -1.394 12.337 -5.641 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.996 12.694 -8.352 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.235 13.637 -7.548 1.00 0.00 H new ATOM 0 HG SER A 56 -1.301 14.863 -7.919 1.00 0.00 H new ATOM 917 N GLU A 57 -4.552 11.611 -5.674 1.00 0.00 N ATOM 918 CA GLU A 57 -5.800 11.716 -4.926 1.00 0.00 C ATOM 919 C GLU A 57 -5.776 10.806 -3.706 1.00 0.00 C ATOM 920 O GLU A 57 -6.197 11.197 -2.617 1.00 0.00 O ATOM 921 CB GLU A 57 -6.989 11.362 -5.822 1.00 0.00 C ATOM 922 CG GLU A 57 -7.612 12.565 -6.510 1.00 0.00 C ATOM 923 CD GLU A 57 -8.994 12.891 -5.977 1.00 0.00 C ATOM 924 OE1 GLU A 57 -9.908 12.057 -6.146 1.00 0.00 O ATOM 925 OE2 GLU A 57 -9.163 13.982 -5.392 1.00 0.00 O ATOM 0 H GLU A 57 -4.551 10.889 -6.394 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.908 12.746 -4.587 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.663 10.649 -6.580 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.750 10.863 -5.222 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.963 13.431 -6.379 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.676 12.374 -7.581 1.00 0.00 H new ATOM 932 N ALA A 58 -5.279 9.589 -3.897 1.00 0.00 N ATOM 933 CA ALA A 58 -5.197 8.620 -2.813 1.00 0.00 C ATOM 934 C ALA A 58 -4.352 9.159 -1.665 1.00 0.00 C ATOM 935 O ALA A 58 -4.865 9.435 -0.582 1.00 0.00 O ATOM 936 CB ALA A 58 -4.625 7.306 -3.320 1.00 0.00 C ATOM 0 H ALA A 58 -4.927 9.251 -4.793 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.205 8.442 -2.439 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.570 6.592 -2.498 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.269 6.908 -4.104 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.626 7.475 -3.721 1.00 0.00 H new ATOM 942 N ILE A 59 -3.055 9.311 -1.912 1.00 0.00 N ATOM 943 CA ILE A 59 -2.137 9.820 -0.897 1.00 0.00 C ATOM 944 C ILE A 59 -2.588 11.184 -0.381 1.00 0.00 C ATOM 945 O ILE A 59 -2.326 11.541 0.766 1.00 0.00 O ATOM 946 CB ILE A 59 -0.699 9.936 -1.451 1.00 0.00 C ATOM 947 CG1 ILE A 59 -0.230 8.586 -1.999 1.00 0.00 C ATOM 948 CG2 ILE A 59 0.258 10.433 -0.374 1.00 0.00 C ATOM 949 CD1 ILE A 59 0.340 8.667 -3.397 1.00 0.00 C ATOM 0 H ILE A 59 -2.615 9.089 -2.805 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.144 9.106 -0.073 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.703 10.662 -2.264 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.526 8.174 -1.330 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.070 7.891 -1.997 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.264 10.507 -0.787 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.064 11.414 -0.026 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.259 9.734 0.462 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.652 7.674 -3.721 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.420 9.049 -4.078 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.200 9.337 -3.401 1.00 0.00 H new ATOM 961 N ALA A 60 -3.264 11.942 -1.236 1.00 0.00 N ATOM 962 CA ALA A 60 -3.747 13.266 -0.869 1.00 0.00 C ATOM 963 C ALA A 60 -4.664 13.214 0.349 1.00 0.00 C ATOM 964 O ALA A 60 -4.409 13.871 1.358 1.00 0.00 O ATOM 965 CB ALA A 60 -4.470 13.905 -2.044 1.00 0.00 C ATOM 0 H ALA A 60 -3.490 11.661 -2.190 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.881 13.874 -0.606 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.826 14.894 -1.757 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.785 13.996 -2.887 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.318 13.283 -2.331 1.00 0.00 H new ATOM 971 N LYS A 61 -5.738 12.437 0.246 1.00 0.00 N ATOM 972 CA LYS A 61 -6.699 12.312 1.338 1.00 0.00 C ATOM 973 C LYS A 61 -6.334 11.169 2.281 1.00 0.00 C ATOM 974 O LYS A 61 -6.703 11.183 3.457 1.00 0.00 O ATOM 975 CB LYS A 61 -8.107 12.096 0.779 1.00 0.00 C ATOM 976 CG LYS A 61 -8.899 13.383 0.611 1.00 0.00 C ATOM 977 CD LYS A 61 -8.439 14.165 -0.608 1.00 0.00 C ATOM 978 CE LYS A 61 -9.450 15.232 -0.999 1.00 0.00 C ATOM 979 NZ LYS A 61 -10.834 14.689 -1.063 1.00 0.00 N ATOM 0 H LYS A 61 -5.965 11.885 -0.581 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.673 13.240 1.909 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.033 11.596 -0.187 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.654 11.427 1.443 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.959 13.149 0.516 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -8.787 13.999 1.503 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.477 14.633 -0.400 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.287 13.482 -1.444 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.413 16.048 -0.278 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.179 15.651 -1.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.387 15.229 -1.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.802 13.689 -1.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.282 14.769 -0.128 1.00 0.00 H new ATOM 993 N LEU A 62 -5.620 10.176 1.763 1.00 0.00 N ATOM 994 CA LEU A 62 -5.221 9.024 2.564 1.00 0.00 C ATOM 995 C LEU A 62 -4.079 9.372 3.513 1.00 0.00 C ATOM 996 O LEU A 62 -4.275 9.477 4.723 1.00 0.00 O ATOM 997 CB LEU A 62 -4.807 7.866 1.655 1.00 0.00 C ATOM 998 CG LEU A 62 -5.930 7.285 0.794 1.00 0.00 C ATOM 999 CD1 LEU A 62 -5.364 6.334 -0.250 1.00 0.00 C ATOM 1000 CD2 LEU A 62 -6.954 6.573 1.666 1.00 0.00 C ATOM 0 H LEU A 62 -5.306 10.145 0.793 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.080 8.724 3.164 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.006 8.208 0.999 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.394 7.069 2.273 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.428 8.105 0.277 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.177 5.930 -0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.668 6.872 -0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.841 5.517 0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.746 6.165 1.038 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.468 5.762 2.209 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.382 7.281 2.376 1.00 0.00 H new ATOM 1012 N ASP A 63 -2.883 9.540 2.956 1.00 0.00 N ATOM 1013 CA ASP A 63 -1.702 9.863 3.752 1.00 0.00 C ATOM 1014 C ASP A 63 -1.962 11.054 4.676 1.00 0.00 C ATOM 1015 O ASP A 63 -2.544 12.058 4.267 1.00 0.00 O ATOM 1016 CB ASP A 63 -0.502 10.130 2.828 1.00 0.00 C ATOM 1017 CG ASP A 63 -0.042 11.579 2.826 1.00 0.00 C ATOM 1018 OD1 ASP A 63 -0.863 12.465 2.508 1.00 0.00 O ATOM 1019 OD2 ASP A 63 1.140 11.826 3.143 1.00 0.00 O ATOM 0 H ASP A 63 -2.706 9.458 1.955 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.470 9.007 4.386 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.329 9.495 3.134 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.767 9.841 1.811 1.00 0.00 H new ATOM 1024 N ASN A 64 -1.522 10.929 5.926 1.00 0.00 N ATOM 1025 CA ASN A 64 -1.698 11.987 6.913 1.00 0.00 C ATOM 1026 C ASN A 64 -1.060 11.597 8.244 1.00 0.00 C ATOM 1027 O ASN A 64 -0.070 12.194 8.666 1.00 0.00 O ATOM 1028 CB ASN A 64 -3.185 12.287 7.117 1.00 0.00 C ATOM 1029 CG ASN A 64 -3.417 13.629 7.782 1.00 0.00 C ATOM 1030 OD1 ASN A 64 -4.104 13.721 8.800 1.00 0.00 O ATOM 1031 ND2 ASN A 64 -2.844 14.681 7.209 1.00 0.00 N ATOM 0 H ASN A 64 -1.040 10.102 6.278 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.204 12.884 6.539 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -3.692 12.270 6.152 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.631 11.501 7.726 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -2.965 15.610 7.612 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -2.283 14.560 6.366 1.00 0.00 H new ATOM 1038 N THR A 65 -1.631 10.590 8.896 1.00 0.00 N ATOM 1039 CA THR A 65 -1.119 10.118 10.177 1.00 0.00 C ATOM 1040 C THR A 65 -0.864 8.614 10.138 1.00 0.00 C ATOM 1041 O THR A 65 -0.951 7.988 9.081 1.00 0.00 O ATOM 1042 CB THR A 65 -2.104 10.455 11.300 1.00 0.00 C ATOM 1043 OG1 THR A 65 -3.394 10.712 10.775 1.00 0.00 O ATOM 1044 CG2 THR A 65 -1.691 11.663 12.114 1.00 0.00 C ATOM 0 H THR A 65 -2.450 10.084 8.558 1.00 0.00 H new ATOM 0 HA THR A 65 -0.173 10.623 10.372 1.00 0.00 H new ATOM 0 HB THR A 65 -2.110 9.581 11.952 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.009 10.924 11.508 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.431 11.848 12.892 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.720 11.478 12.573 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.624 12.535 11.463 1.00 0.00 H new ATOM 1052 N ASP A 66 -0.549 8.039 11.294 1.00 0.00 N ATOM 1053 CA ASP A 66 -0.284 6.609 11.390 1.00 0.00 C ATOM 1054 C ASP A 66 -1.441 5.884 12.070 1.00 0.00 C ATOM 1055 O ASP A 66 -1.549 5.879 13.296 1.00 0.00 O ATOM 1056 CB ASP A 66 1.017 6.359 12.158 1.00 0.00 C ATOM 1057 CG ASP A 66 2.059 5.649 11.317 1.00 0.00 C ATOM 1058 OD1 ASP A 66 1.679 4.757 10.530 1.00 0.00 O ATOM 1059 OD2 ASP A 66 3.255 5.984 11.445 1.00 0.00 O ATOM 0 H ASP A 66 -0.471 8.542 12.178 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.180 6.216 10.379 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.420 7.311 12.503 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.803 5.763 13.045 1.00 0.00 H new ATOM 1064 N PHE A 67 -2.306 5.274 11.266 1.00 0.00 N ATOM 1065 CA PHE A 67 -3.458 4.547 11.789 1.00 0.00 C ATOM 1066 C PHE A 67 -3.385 3.071 11.412 1.00 0.00 C ATOM 1067 O PHE A 67 -2.381 2.606 10.873 1.00 0.00 O ATOM 1068 CB PHE A 67 -4.756 5.161 11.263 1.00 0.00 C ATOM 1069 CG PHE A 67 -5.668 5.662 12.347 1.00 0.00 C ATOM 1070 CD1 PHE A 67 -5.486 6.920 12.897 1.00 0.00 C ATOM 1071 CD2 PHE A 67 -6.706 4.873 12.816 1.00 0.00 C ATOM 1072 CE1 PHE A 67 -6.322 7.383 13.895 1.00 0.00 C ATOM 1073 CE2 PHE A 67 -7.545 5.330 13.814 1.00 0.00 C ATOM 1074 CZ PHE A 67 -7.353 6.586 14.354 1.00 0.00 C ATOM 0 H PHE A 67 -2.231 5.269 10.249 1.00 0.00 H new ATOM 0 HA PHE A 67 -3.445 4.625 12.876 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -4.512 5.987 10.594 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -5.286 4.416 10.670 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.681 7.546 12.542 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -6.861 3.890 12.397 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -6.170 8.366 14.315 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -8.350 4.705 14.171 1.00 0.00 H new ATOM 0 HZ PHE A 67 -8.008 6.945 15.134 1.00 0.00 H new ATOM 1084 N MET A 68 -4.456 2.338 11.701 1.00 0.00 N ATOM 1085 CA MET A 68 -4.514 0.915 11.391 1.00 0.00 C ATOM 1086 C MET A 68 -5.311 0.668 10.114 1.00 0.00 C ATOM 1087 O MET A 68 -6.033 -0.324 10.002 1.00 0.00 O ATOM 1088 CB MET A 68 -5.142 0.143 12.554 1.00 0.00 C ATOM 1089 CG MET A 68 -4.512 0.457 13.901 1.00 0.00 C ATOM 1090 SD MET A 68 -4.787 -0.846 15.116 1.00 0.00 S ATOM 1091 CE MET A 68 -4.170 -0.060 16.603 1.00 0.00 C ATOM 0 H MET A 68 -5.295 2.707 12.149 1.00 0.00 H new ATOM 0 HA MET A 68 -3.495 0.561 11.236 1.00 0.00 H new ATOM 0 HB2 MET A 68 -6.207 0.371 12.598 1.00 0.00 H new ATOM 0 HB3 MET A 68 -5.053 -0.926 12.360 1.00 0.00 H new ATOM 0 HG2 MET A 68 -3.440 0.607 13.771 1.00 0.00 H new ATOM 0 HG3 MET A 68 -4.921 1.394 14.280 1.00 0.00 H new ATOM 0 HE1 MET A 68 -4.273 -0.744 17.445 1.00 0.00 H new ATOM 0 HE2 MET A 68 -3.119 0.196 16.470 1.00 0.00 H new ATOM 0 HE3 MET A 68 -4.742 0.847 16.800 1.00 0.00 H new ATOM 1101 N GLY A 69 -5.174 1.576 9.154 1.00 0.00 N ATOM 1102 CA GLY A 69 -5.886 1.439 7.895 1.00 0.00 C ATOM 1103 C GLY A 69 -6.856 2.578 7.650 1.00 0.00 C ATOM 1104 O GLY A 69 -7.907 2.386 7.039 1.00 0.00 O ATOM 0 H GLY A 69 -4.583 2.404 9.224 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -5.167 1.396 7.077 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -6.431 0.495 7.890 1.00 0.00 H new ATOM 1108 N ARG A 70 -6.504 3.767 8.129 1.00 0.00 N ATOM 1109 CA ARG A 70 -7.353 4.942 7.957 1.00 0.00 C ATOM 1110 C ARG A 70 -6.648 6.007 7.123 1.00 0.00 C ATOM 1111 O ARG A 70 -7.272 6.683 6.305 1.00 0.00 O ATOM 1112 CB ARG A 70 -7.741 5.519 9.320 1.00 0.00 C ATOM 1113 CG ARG A 70 -9.104 5.052 9.812 1.00 0.00 C ATOM 1114 CD ARG A 70 -10.053 6.221 10.021 1.00 0.00 C ATOM 1115 NE ARG A 70 -9.702 7.009 11.200 1.00 0.00 N ATOM 1116 CZ ARG A 70 -10.520 7.885 11.778 1.00 0.00 C ATOM 1117 NH1 ARG A 70 -11.738 8.089 11.290 1.00 0.00 N ATOM 1118 NH2 ARG A 70 -10.121 8.559 12.848 1.00 0.00 N ATOM 0 H ARG A 70 -5.638 3.943 8.639 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.255 4.633 7.429 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.984 5.240 10.053 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.739 6.607 9.259 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -9.534 4.358 9.090 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.986 4.506 10.748 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -10.038 6.862 9.139 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.071 5.847 10.126 1.00 0.00 H new ATOM 0 HE ARG A 70 -8.774 6.880 11.604 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -12.051 7.573 10.468 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -12.361 8.762 11.737 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.187 8.406 13.228 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -10.748 9.230 13.291 1.00 0.00 H new ATOM 1132 N THR A 71 -5.344 6.150 7.335 1.00 0.00 N ATOM 1133 CA THR A 71 -4.554 7.133 6.603 1.00 0.00 C ATOM 1134 C THR A 71 -3.186 6.566 6.235 1.00 0.00 C ATOM 1135 O THR A 71 -2.806 6.548 5.065 1.00 0.00 O ATOM 1136 CB THR A 71 -4.390 8.413 7.431 1.00 0.00 C ATOM 1137 OG1 THR A 71 -3.287 9.174 6.970 1.00 0.00 O ATOM 1138 CG2 THR A 71 -4.184 8.157 8.909 1.00 0.00 C ATOM 0 H THR A 71 -4.812 5.598 8.008 1.00 0.00 H new ATOM 0 HA THR A 71 -5.085 7.375 5.682 1.00 0.00 H new ATOM 0 HB THR A 71 -5.327 8.955 7.302 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.308 9.220 5.991 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.076 9.108 9.431 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.044 7.619 9.308 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.284 7.559 9.053 1.00 0.00 H new ATOM 1146 N ILE A 72 -2.451 6.104 7.242 1.00 0.00 N ATOM 1147 CA ILE A 72 -1.126 5.537 7.021 1.00 0.00 C ATOM 1148 C ILE A 72 -0.193 6.561 6.380 1.00 0.00 C ATOM 1149 O ILE A 72 -0.645 7.544 5.796 1.00 0.00 O ATOM 1150 CB ILE A 72 -1.191 4.288 6.119 1.00 0.00 C ATOM 1151 CG1 ILE A 72 -2.341 3.372 6.549 1.00 0.00 C ATOM 1152 CG2 ILE A 72 0.134 3.540 6.156 1.00 0.00 C ATOM 1153 CD1 ILE A 72 -3.355 3.122 5.455 1.00 0.00 C ATOM 0 H ILE A 72 -2.750 6.111 8.217 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.737 5.251 7.998 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.377 4.610 5.094 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.931 2.417 6.878 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.846 3.815 7.407 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.073 2.661 5.515 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.931 4.194 5.801 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.348 3.229 7.179 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.140 2.466 5.830 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.793 4.070 5.141 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.863 2.650 4.604 1.00 0.00 H new ATOM 1165 N ARG A 73 1.109 6.323 6.495 1.00 0.00 N ATOM 1166 CA ARG A 73 2.101 7.227 5.924 1.00 0.00 C ATOM 1167 C ARG A 73 2.412 6.846 4.479 1.00 0.00 C ATOM 1168 O ARG A 73 3.555 6.545 4.135 1.00 0.00 O ATOM 1169 CB ARG A 73 3.382 7.207 6.760 1.00 0.00 C ATOM 1170 CG ARG A 73 3.418 8.274 7.844 1.00 0.00 C ATOM 1171 CD ARG A 73 4.485 9.322 7.566 1.00 0.00 C ATOM 1172 NE ARG A 73 3.985 10.679 7.769 1.00 0.00 N ATOM 1173 CZ ARG A 73 3.694 11.192 8.962 1.00 0.00 C ATOM 1174 NH1 ARG A 73 3.853 10.464 10.061 1.00 0.00 N ATOM 1175 NH2 ARG A 73 3.245 12.436 9.058 1.00 0.00 N ATOM 0 H ARG A 73 1.501 5.514 6.977 1.00 0.00 H new ATOM 0 HA ARG A 73 1.688 8.236 5.934 1.00 0.00 H new ATOM 0 HB2 ARG A 73 3.488 6.226 7.224 1.00 0.00 H new ATOM 0 HB3 ARG A 73 4.239 7.342 6.100 1.00 0.00 H new ATOM 0 HG2 ARG A 73 2.443 8.756 7.912 1.00 0.00 H new ATOM 0 HG3 ARG A 73 3.610 7.806 8.809 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.341 9.150 8.218 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.839 9.216 6.541 1.00 0.00 H new ATOM 0 HE ARG A 73 3.851 11.269 6.948 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.200 9.507 9.993 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.629 10.862 10.973 1.00 0.00 H new ATOM 0 HH21 ARG A 73 3.122 13.000 8.217 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.022 12.829 9.973 1.00 0.00 H new ATOM 1189 N VAL A 74 1.383 6.858 3.636 1.00 0.00 N ATOM 1190 CA VAL A 74 1.542 6.512 2.229 1.00 0.00 C ATOM 1191 C VAL A 74 2.112 7.683 1.433 1.00 0.00 C ATOM 1192 O VAL A 74 1.989 8.840 1.836 1.00 0.00 O ATOM 1193 CB VAL A 74 0.200 6.079 1.605 1.00 0.00 C ATOM 1194 CG1 VAL A 74 -0.801 7.224 1.626 1.00 0.00 C ATOM 1195 CG2 VAL A 74 0.411 5.570 0.185 1.00 0.00 C ATOM 0 H VAL A 74 0.430 7.104 3.904 1.00 0.00 H new ATOM 0 HA VAL A 74 2.241 5.677 2.184 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.208 5.265 2.203 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.740 6.895 1.181 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.977 7.535 2.656 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.404 8.064 1.056 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.547 5.269 -0.240 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.845 6.362 -0.425 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.086 4.714 0.202 1.00 0.00 H new ATOM 1205 N THR A 75 2.737 7.373 0.301 1.00 0.00 N ATOM 1206 CA THR A 75 3.325 8.400 -0.554 1.00 0.00 C ATOM 1207 C THR A 75 3.944 7.780 -1.802 1.00 0.00 C ATOM 1208 O THR A 75 4.489 6.677 -1.754 1.00 0.00 O ATOM 1209 CB THR A 75 4.387 9.188 0.215 1.00 0.00 C ATOM 1210 OG1 THR A 75 4.946 10.203 -0.601 1.00 0.00 O ATOM 1211 CG2 THR A 75 5.524 8.327 0.720 1.00 0.00 C ATOM 0 H THR A 75 2.849 6.420 -0.046 1.00 0.00 H new ATOM 0 HA THR A 75 2.529 9.079 -0.862 1.00 0.00 H new ATOM 0 HB THR A 75 3.866 9.612 1.073 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.622 10.697 -0.092 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.241 8.949 1.256 1.00 0.00 H new ATOM 0 HG22 THR A 75 5.132 7.564 1.392 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.020 7.847 -0.124 1.00 0.00 H new ATOM 1219 N GLU A 76 3.856 8.495 -2.918 1.00 0.00 N ATOM 1220 CA GLU A 76 4.407 8.014 -4.179 1.00 0.00 C ATOM 1221 C GLU A 76 5.930 7.979 -4.128 1.00 0.00 C ATOM 1222 O GLU A 76 6.583 9.018 -4.025 1.00 0.00 O ATOM 1223 CB GLU A 76 3.944 8.904 -5.335 1.00 0.00 C ATOM 1224 CG GLU A 76 4.129 10.389 -5.070 1.00 0.00 C ATOM 1225 CD GLU A 76 2.838 11.073 -4.660 1.00 0.00 C ATOM 1226 OE1 GLU A 76 1.878 11.055 -5.459 1.00 0.00 O ATOM 1227 OE2 GLU A 76 2.789 11.624 -3.541 1.00 0.00 O ATOM 0 H GLU A 76 3.408 9.410 -2.975 1.00 0.00 H new ATOM 0 HA GLU A 76 4.043 7.000 -4.343 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.495 8.632 -6.235 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.891 8.707 -5.535 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.873 10.524 -4.285 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.521 10.868 -5.967 1.00 0.00 H new ATOM 1234 N ALA A 77 6.492 6.777 -4.202 1.00 0.00 N ATOM 1235 CA ALA A 77 7.940 6.606 -4.164 1.00 0.00 C ATOM 1236 C ALA A 77 8.583 7.086 -5.461 1.00 0.00 C ATOM 1237 O ALA A 77 9.823 7.236 -5.485 1.00 0.00 O ATOM 1238 CB ALA A 77 8.293 5.148 -3.907 1.00 0.00 C ATOM 0 H ALA A 77 5.967 5.907 -4.289 1.00 0.00 H new ATOM 0 HA ALA A 77 8.331 7.213 -3.348 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.377 5.035 -3.881 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.873 4.835 -2.951 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.883 4.528 -4.704 1.00 0.00 H new