USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 553 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 26 TYR OH : rot 130:sc= 0 USER MOD Set 1.2: A 36 THR OG1 : rot -38:sc= 0.287 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 138:sc= 0.0524 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= -1.63 USER MOD Single : A 10 ASN : amide:sc= -0.758 K(o=-0.76,f=-6.7!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -3.71! C(o=-3.7!,f=-10!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN :FLIP amide:sc= -1.03 F(o=-4.7!,f=-1) USER MOD Single : A 38 ASN : amide:sc= -0.282 K(o=-0.28,f=-5.2!) USER MOD Single : A 42 ASN : amide:sc= -8.34! C(o=-8.3!,f=-12!) USER MOD Single : A 48 ASN :FLIP amide:sc= -0.2 F(o=-0.82,f=-0.2) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 141:sc=-0.00472 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0159 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.17 K(o=-0.17,f=-0.87) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.583 21.453 8.554 1.00 0.00 N ATOM 2 CA MET A 1 0.360 20.352 8.651 1.00 0.00 C ATOM 3 C MET A 1 -0.347 19.058 9.059 1.00 0.00 C ATOM 4 O MET A 1 -1.374 19.094 9.732 1.00 0.00 O ATOM 5 CB MET A 1 1.437 20.692 9.684 1.00 0.00 C ATOM 6 CG MET A 1 2.590 21.466 9.039 1.00 0.00 C ATOM 7 SD MET A 1 3.839 21.831 10.261 1.00 0.00 S ATOM 8 CE MET A 1 5.191 22.298 9.193 1.00 0.00 C ATOM 0 H1 MET A 1 -0.164 22.307 8.973 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.806 21.632 7.554 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.455 21.209 9.065 1.00 0.00 H new ATOM 0 HA MET A 1 0.816 20.202 7.672 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.001 21.285 10.488 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.817 19.775 10.134 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.023 20.881 8.228 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.217 22.392 8.600 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.059 22.559 9.798 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.443 21.464 8.538 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.898 23.157 8.589 1.00 0.00 H new ATOM 18 N SER A 2 0.232 17.945 8.632 1.00 0.00 N ATOM 19 CA SER A 2 -0.329 16.641 8.944 1.00 0.00 C ATOM 20 C SER A 2 0.545 15.539 8.344 1.00 0.00 C ATOM 21 O SER A 2 1.169 15.733 7.302 1.00 0.00 O ATOM 22 CB SER A 2 -1.764 16.523 8.426 1.00 0.00 C ATOM 23 OG SER A 2 -2.504 15.529 9.129 1.00 0.00 O ATOM 0 H SER A 2 1.084 17.919 8.072 1.00 0.00 H new ATOM 0 HA SER A 2 -0.352 16.527 10.028 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.265 17.486 8.524 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.747 16.279 7.364 1.00 0.00 H new ATOM 0 HG SER A 2 -3.415 15.485 8.771 1.00 0.00 H new ATOM 29 N THR A 3 0.561 14.403 9.028 1.00 0.00 N ATOM 30 CA THR A 3 1.348 13.269 8.576 1.00 0.00 C ATOM 31 C THR A 3 0.778 11.966 9.140 1.00 0.00 C ATOM 32 O THR A 3 0.740 11.775 10.354 1.00 0.00 O ATOM 33 CB THR A 3 2.805 13.516 8.973 1.00 0.00 C ATOM 34 OG1 THR A 3 3.431 12.247 8.804 1.00 0.00 O ATOM 35 CG2 THR A 3 2.964 13.813 10.466 1.00 0.00 C ATOM 0 H THR A 3 0.041 14.245 9.891 1.00 0.00 H new ATOM 0 HA THR A 3 1.304 13.165 7.492 1.00 0.00 H new ATOM 0 HB THR A 3 3.202 14.349 8.393 1.00 0.00 H new ATOM 0 HG1 THR A 3 4.380 12.317 9.038 1.00 0.00 H new ATOM 0 HG21 THR A 3 4.017 13.980 10.694 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.391 14.704 10.723 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.598 12.966 11.046 1.00 0.00 H new ATOM 43 N LYS A 4 0.348 11.104 8.230 1.00 0.00 N ATOM 44 CA LYS A 4 -0.219 9.824 8.621 1.00 0.00 C ATOM 45 C LYS A 4 -0.528 9.004 7.367 1.00 0.00 C ATOM 46 O LYS A 4 -1.662 8.998 6.889 1.00 0.00 O ATOM 47 CB LYS A 4 -1.429 10.031 9.534 1.00 0.00 C ATOM 48 CG LYS A 4 -1.206 9.371 10.897 1.00 0.00 C ATOM 49 CD LYS A 4 -2.496 8.733 11.414 1.00 0.00 C ATOM 50 CE LYS A 4 -2.825 9.225 12.825 1.00 0.00 C ATOM 51 NZ LYS A 4 -4.121 8.672 13.278 1.00 0.00 N ATOM 0 H LYS A 4 0.381 11.267 7.224 1.00 0.00 H new ATOM 0 HA LYS A 4 0.500 9.252 9.208 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -1.610 11.097 9.668 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.319 9.613 9.065 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.428 8.612 10.815 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.852 10.114 11.611 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.319 8.972 10.741 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -2.393 7.648 11.418 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.035 8.927 13.514 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -2.864 10.314 12.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -4.329 9.016 14.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -4.875 8.978 12.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -4.071 7.633 13.286 1.00 0.00 H new ATOM 65 N LEU A 5 0.499 8.331 6.870 1.00 0.00 N ATOM 66 CA LEU A 5 0.352 7.509 5.682 1.00 0.00 C ATOM 67 C LEU A 5 1.584 6.616 5.528 1.00 0.00 C ATOM 68 O LEU A 5 2.711 7.066 5.733 1.00 0.00 O ATOM 69 CB LEU A 5 0.068 8.382 4.458 1.00 0.00 C ATOM 70 CG LEU A 5 1.260 9.166 3.904 1.00 0.00 C ATOM 71 CD1 LEU A 5 1.023 9.565 2.445 1.00 0.00 C ATOM 72 CD2 LEU A 5 1.578 10.376 4.784 1.00 0.00 C ATOM 0 H LEU A 5 1.438 8.338 7.269 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.510 6.849 5.781 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -0.323 7.745 3.665 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -0.719 9.090 4.716 1.00 0.00 H new ATOM 0 HG LEU A 5 2.135 8.516 3.923 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.885 10.121 2.075 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.883 8.669 1.841 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.132 10.190 2.379 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.429 10.915 4.368 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.712 11.037 4.820 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.820 10.039 5.792 1.00 0.00 H new ATOM 84 N TYR A 6 1.329 5.366 5.168 1.00 0.00 N ATOM 85 CA TYR A 6 2.405 4.406 4.984 1.00 0.00 C ATOM 86 C TYR A 6 2.188 3.577 3.717 1.00 0.00 C ATOM 87 O TYR A 6 1.118 3.005 3.520 1.00 0.00 O ATOM 88 CB TYR A 6 2.354 3.480 6.200 1.00 0.00 C ATOM 89 CG TYR A 6 3.652 2.708 6.449 1.00 0.00 C ATOM 90 CD1 TYR A 6 4.217 1.963 5.433 1.00 0.00 C ATOM 91 CD2 TYR A 6 4.258 2.757 7.688 1.00 0.00 C ATOM 92 CE1 TYR A 6 5.438 1.237 5.667 1.00 0.00 C ATOM 93 CE2 TYR A 6 5.479 2.031 7.921 1.00 0.00 C ATOM 94 CZ TYR A 6 6.009 1.306 6.900 1.00 0.00 C ATOM 95 OH TYR A 6 7.163 0.620 7.120 1.00 0.00 O ATOM 0 H TYR A 6 0.394 4.996 4.999 1.00 0.00 H new ATOM 0 HA TYR A 6 3.363 4.916 4.886 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.120 4.072 7.085 1.00 0.00 H new ATOM 0 HB3 TYR A 6 1.539 2.768 6.068 1.00 0.00 H new ATOM 0 HD1 TYR A 6 3.743 1.925 4.463 1.00 0.00 H new ATOM 0 HD2 TYR A 6 3.816 3.340 8.483 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.891 0.651 4.881 1.00 0.00 H new ATOM 0 HE2 TYR A 6 5.964 2.061 8.886 1.00 0.00 H new ATOM 0 HH TYR A 6 7.457 0.762 8.044 1.00 0.00 H new ATOM 105 N GLY A 7 3.222 3.539 2.889 1.00 0.00 N ATOM 106 CA GLY A 7 3.160 2.789 1.647 1.00 0.00 C ATOM 107 C GLY A 7 2.106 3.377 0.706 1.00 0.00 C ATOM 108 O GLY A 7 1.185 2.677 0.284 1.00 0.00 O ATOM 0 H GLY A 7 4.108 4.016 3.055 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.135 2.802 1.161 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.923 1.746 1.859 1.00 0.00 H new ATOM 112 N ASP A 8 2.275 4.656 0.402 1.00 0.00 N ATOM 113 CA ASP A 8 1.350 5.345 -0.481 1.00 0.00 C ATOM 114 C ASP A 8 1.859 5.247 -1.921 1.00 0.00 C ATOM 115 O ASP A 8 3.065 5.258 -2.159 1.00 0.00 O ATOM 116 CB ASP A 8 1.242 6.826 -0.118 1.00 0.00 C ATOM 117 CG ASP A 8 -0.173 7.406 -0.182 1.00 0.00 C ATOM 118 OD1 ASP A 8 -1.017 6.770 -0.850 1.00 0.00 O ATOM 119 OD2 ASP A 8 -0.377 8.473 0.437 1.00 0.00 O ATOM 0 H ASP A 8 3.040 5.233 0.752 1.00 0.00 H new ATOM 0 HA ASP A 8 0.371 4.876 -0.377 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.631 6.967 0.890 1.00 0.00 H new ATOM 0 HB3 ASP A 8 1.883 7.397 -0.789 1.00 0.00 H new ATOM 124 N VAL A 9 0.912 5.154 -2.843 1.00 0.00 N ATOM 125 CA VAL A 9 1.249 5.054 -4.254 1.00 0.00 C ATOM 126 C VAL A 9 1.226 6.451 -4.879 1.00 0.00 C ATOM 127 O VAL A 9 2.219 6.893 -5.455 1.00 0.00 O ATOM 128 CB VAL A 9 0.305 4.072 -4.949 1.00 0.00 C ATOM 129 CG1 VAL A 9 -0.008 4.530 -6.376 1.00 0.00 C ATOM 130 CG2 VAL A 9 0.884 2.656 -4.942 1.00 0.00 C ATOM 0 H VAL A 9 -0.088 5.146 -2.641 1.00 0.00 H new ATOM 0 HA VAL A 9 2.257 4.658 -4.379 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.630 4.053 -4.390 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.681 3.815 -6.848 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.483 5.511 -6.347 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.917 4.591 -6.950 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.193 1.978 -5.442 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.840 2.651 -5.466 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.032 2.329 -3.913 1.00 0.00 H new ATOM 140 N ASN A 10 0.083 7.107 -4.742 1.00 0.00 N ATOM 141 CA ASN A 10 -0.082 8.443 -5.287 1.00 0.00 C ATOM 142 C ASN A 10 0.037 9.468 -4.156 1.00 0.00 C ATOM 143 O ASN A 10 -0.378 10.616 -4.307 1.00 0.00 O ATOM 144 CB ASN A 10 -1.460 8.609 -5.931 1.00 0.00 C ATOM 145 CG ASN A 10 -2.521 7.813 -5.170 1.00 0.00 C ATOM 146 OD1 ASN A 10 -2.400 7.539 -3.987 1.00 0.00 O ATOM 147 ND2 ASN A 10 -3.567 7.457 -5.912 1.00 0.00 N ATOM 0 H ASN A 10 -0.737 6.738 -4.261 1.00 0.00 H new ATOM 0 HA ASN A 10 0.690 8.597 -6.041 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.733 9.664 -5.946 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.423 8.274 -6.968 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.329 6.923 -5.496 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.606 7.719 -6.897 1.00 0.00 H new ATOM 154 N ASP A 11 0.607 9.016 -3.050 1.00 0.00 N ATOM 155 CA ASP A 11 0.786 9.878 -1.894 1.00 0.00 C ATOM 156 C ASP A 11 -0.535 10.582 -1.578 1.00 0.00 C ATOM 157 O ASP A 11 -0.565 11.796 -1.383 1.00 0.00 O ATOM 158 CB ASP A 11 1.840 10.953 -2.168 1.00 0.00 C ATOM 159 CG ASP A 11 2.213 11.816 -0.960 1.00 0.00 C ATOM 160 OD1 ASP A 11 3.072 11.354 -0.177 1.00 0.00 O ATOM 161 OD2 ASP A 11 1.631 12.916 -0.847 1.00 0.00 O ATOM 0 H ASP A 11 0.951 8.064 -2.929 1.00 0.00 H new ATOM 0 HA ASP A 11 1.110 9.258 -1.058 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.742 10.469 -2.542 1.00 0.00 H new ATOM 0 HB3 ASP A 11 1.475 11.604 -2.962 1.00 0.00 H new ATOM 166 N ASP A 12 -1.595 9.788 -1.535 1.00 0.00 N ATOM 167 CA ASP A 12 -2.916 10.319 -1.246 1.00 0.00 C ATOM 168 C ASP A 12 -3.371 9.823 0.127 1.00 0.00 C ATOM 169 O ASP A 12 -3.849 10.605 0.948 1.00 0.00 O ATOM 170 CB ASP A 12 -3.939 9.847 -2.282 1.00 0.00 C ATOM 171 CG ASP A 12 -5.320 9.507 -1.718 1.00 0.00 C ATOM 172 OD1 ASP A 12 -5.433 8.423 -1.107 1.00 0.00 O ATOM 173 OD2 ASP A 12 -6.232 10.339 -1.912 1.00 0.00 O ATOM 0 H ASP A 12 -1.566 8.781 -1.695 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.854 11.407 -1.270 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.053 10.624 -3.038 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.542 8.966 -2.787 1.00 0.00 H new ATOM 178 N GLY A 13 -3.207 8.524 0.337 1.00 0.00 N ATOM 179 CA GLY A 13 -3.595 7.914 1.597 1.00 0.00 C ATOM 180 C GLY A 13 -2.723 6.696 1.908 1.00 0.00 C ATOM 181 O GLY A 13 -2.073 6.641 2.950 1.00 0.00 O ATOM 0 H GLY A 13 -2.810 7.878 -0.345 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.506 8.644 2.401 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.642 7.614 1.553 1.00 0.00 H new ATOM 185 N LYS A 14 -2.737 5.748 0.982 1.00 0.00 N ATOM 186 CA LYS A 14 -1.955 4.533 1.143 1.00 0.00 C ATOM 187 C LYS A 14 -2.171 3.628 -0.071 1.00 0.00 C ATOM 188 O LYS A 14 -3.147 3.786 -0.802 1.00 0.00 O ATOM 189 CB LYS A 14 -2.281 3.860 2.478 1.00 0.00 C ATOM 190 CG LYS A 14 -3.789 3.653 2.634 1.00 0.00 C ATOM 191 CD LYS A 14 -4.383 4.669 3.611 1.00 0.00 C ATOM 192 CE LYS A 14 -5.595 5.376 2.999 1.00 0.00 C ATOM 193 NZ LYS A 14 -6.094 6.431 3.909 1.00 0.00 N ATOM 0 H LYS A 14 -3.277 5.796 0.118 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.891 4.767 1.181 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.770 2.899 2.539 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.908 4.472 3.299 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.275 3.749 1.663 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.986 2.642 2.990 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.678 4.164 4.531 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.626 5.405 3.880 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.321 5.815 2.040 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.386 4.652 2.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.916 6.900 3.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.374 6.004 4.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.343 7.131 4.074 1.00 0.00 H new ATOM 207 N VAL A 15 -1.245 2.697 -0.248 1.00 0.00 N ATOM 208 CA VAL A 15 -1.321 1.767 -1.360 1.00 0.00 C ATOM 209 C VAL A 15 -2.353 0.683 -1.044 1.00 0.00 C ATOM 210 O VAL A 15 -2.152 -0.126 -0.139 1.00 0.00 O ATOM 211 CB VAL A 15 0.068 1.200 -1.665 1.00 0.00 C ATOM 212 CG1 VAL A 15 0.554 0.301 -0.526 1.00 0.00 C ATOM 213 CG2 VAL A 15 0.072 0.447 -2.998 1.00 0.00 C ATOM 0 H VAL A 15 -0.437 2.567 0.361 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.654 2.279 -2.263 1.00 0.00 H new ATOM 0 HB VAL A 15 0.761 2.037 -1.751 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.543 -0.089 -0.767 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.607 0.879 0.397 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.141 -0.528 -0.395 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.070 0.054 -3.191 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.640 -0.377 -2.952 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.212 1.127 -3.801 1.00 0.00 H new ATOM 223 N ASN A 16 -3.437 0.702 -1.805 1.00 0.00 N ATOM 224 CA ASN A 16 -4.501 -0.269 -1.617 1.00 0.00 C ATOM 225 C ASN A 16 -5.220 -0.498 -2.948 1.00 0.00 C ATOM 226 O ASN A 16 -4.797 0.018 -3.981 1.00 0.00 O ATOM 227 CB ASN A 16 -5.532 0.232 -0.604 1.00 0.00 C ATOM 228 CG ASN A 16 -5.876 1.702 -0.855 1.00 0.00 C ATOM 229 OD1 ASN A 16 -5.277 2.375 -1.677 1.00 0.00 O ATOM 230 ND2 ASN A 16 -6.872 2.161 -0.102 1.00 0.00 N ATOM 0 H ASN A 16 -3.601 1.375 -2.554 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.052 -1.192 -1.249 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.436 -0.373 -0.670 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -5.142 0.113 0.407 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -7.176 3.130 -0.194 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -7.331 1.544 0.568 1.00 0.00 H new ATOM 237 N SER A 17 -6.293 -1.272 -2.880 1.00 0.00 N ATOM 238 CA SER A 17 -7.074 -1.575 -4.067 1.00 0.00 C ATOM 239 C SER A 17 -7.375 -0.288 -4.838 1.00 0.00 C ATOM 240 O SER A 17 -7.621 -0.325 -6.042 1.00 0.00 O ATOM 241 CB SER A 17 -8.374 -2.293 -3.703 1.00 0.00 C ATOM 242 OG SER A 17 -9.318 -2.262 -4.769 1.00 0.00 O ATOM 0 H SER A 17 -6.640 -1.699 -2.021 1.00 0.00 H new ATOM 0 HA SER A 17 -6.489 -2.242 -4.700 1.00 0.00 H new ATOM 0 HB2 SER A 17 -8.155 -3.329 -3.443 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.810 -1.827 -2.819 1.00 0.00 H new ATOM 0 HG SER A 17 -10.134 -2.732 -4.497 1.00 0.00 H new ATOM 248 N THR A 18 -7.346 0.819 -4.111 1.00 0.00 N ATOM 249 CA THR A 18 -7.614 2.115 -4.711 1.00 0.00 C ATOM 250 C THR A 18 -6.431 2.557 -5.576 1.00 0.00 C ATOM 251 O THR A 18 -6.614 3.248 -6.578 1.00 0.00 O ATOM 252 CB THR A 18 -7.944 3.098 -3.586 1.00 0.00 C ATOM 253 OG1 THR A 18 -9.056 2.505 -2.922 1.00 0.00 O ATOM 254 CG2 THR A 18 -8.488 4.428 -4.111 1.00 0.00 C ATOM 0 H THR A 18 -7.141 0.845 -3.112 1.00 0.00 H new ATOM 0 HA THR A 18 -8.470 2.070 -5.384 1.00 0.00 H new ATOM 0 HB THR A 18 -7.049 3.282 -2.991 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.335 3.077 -2.176 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.706 5.089 -3.272 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.745 4.895 -4.757 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.401 4.249 -4.678 1.00 0.00 H new ATOM 262 N ASP A 19 -5.245 2.139 -5.159 1.00 0.00 N ATOM 263 CA ASP A 19 -4.034 2.483 -5.882 1.00 0.00 C ATOM 264 C ASP A 19 -3.585 1.282 -6.716 1.00 0.00 C ATOM 265 O ASP A 19 -2.440 1.223 -7.162 1.00 0.00 O ATOM 266 CB ASP A 19 -2.899 2.840 -4.919 1.00 0.00 C ATOM 267 CG ASP A 19 -3.298 3.758 -3.763 1.00 0.00 C ATOM 268 OD1 ASP A 19 -4.521 3.945 -3.582 1.00 0.00 O ATOM 269 OD2 ASP A 19 -2.371 4.253 -3.086 1.00 0.00 O ATOM 0 H ASP A 19 -5.098 1.565 -4.329 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.253 3.342 -6.516 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.489 1.918 -4.506 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.100 3.319 -5.485 1.00 0.00 H new ATOM 274 N ALA A 20 -4.511 0.353 -6.903 1.00 0.00 N ATOM 275 CA ALA A 20 -4.225 -0.845 -7.676 1.00 0.00 C ATOM 276 C ALA A 20 -3.812 -0.444 -9.094 1.00 0.00 C ATOM 277 O ALA A 20 -2.887 -1.022 -9.661 1.00 0.00 O ATOM 278 CB ALA A 20 -5.446 -1.765 -7.662 1.00 0.00 C ATOM 0 H ALA A 20 -5.460 0.405 -6.533 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.396 -1.398 -7.235 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.232 -2.663 -8.241 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.680 -2.043 -6.634 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.298 -1.245 -8.100 1.00 0.00 H new ATOM 284 N VAL A 21 -4.520 0.542 -9.626 1.00 0.00 N ATOM 285 CA VAL A 21 -4.239 1.027 -10.967 1.00 0.00 C ATOM 286 C VAL A 21 -2.725 1.069 -11.182 1.00 0.00 C ATOM 287 O VAL A 21 -2.202 0.403 -12.073 1.00 0.00 O ATOM 288 CB VAL A 21 -4.912 2.383 -11.184 1.00 0.00 C ATOM 289 CG1 VAL A 21 -4.549 2.961 -12.554 1.00 0.00 C ATOM 290 CG2 VAL A 21 -6.430 2.274 -11.020 1.00 0.00 C ATOM 0 H VAL A 21 -5.288 1.018 -9.153 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.654 0.350 -11.714 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.541 3.068 -10.422 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.040 3.925 -12.684 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.469 3.092 -12.619 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.879 2.278 -13.336 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.884 3.252 -11.179 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.825 1.567 -11.750 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.663 1.925 -10.014 1.00 0.00 H new ATOM 300 N ALA A 22 -2.064 1.861 -10.350 1.00 0.00 N ATOM 301 CA ALA A 22 -0.619 2.000 -10.438 1.00 0.00 C ATOM 302 C ALA A 22 0.041 0.680 -10.034 1.00 0.00 C ATOM 303 O ALA A 22 1.125 0.351 -10.514 1.00 0.00 O ATOM 304 CB ALA A 22 -0.165 3.172 -9.566 1.00 0.00 C ATOM 0 H ALA A 22 -2.502 2.413 -9.612 1.00 0.00 H new ATOM 0 HA ALA A 22 -0.315 2.220 -11.461 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.918 3.276 -9.632 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.640 4.090 -9.914 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.449 2.986 -8.530 1.00 0.00 H new ATOM 310 N LEU A 23 -0.640 -0.040 -9.154 1.00 0.00 N ATOM 311 CA LEU A 23 -0.132 -1.315 -8.679 1.00 0.00 C ATOM 312 C LEU A 23 0.072 -2.254 -9.870 1.00 0.00 C ATOM 313 O LEU A 23 1.188 -2.703 -10.126 1.00 0.00 O ATOM 314 CB LEU A 23 -1.050 -1.888 -7.597 1.00 0.00 C ATOM 315 CG LEU A 23 -0.418 -2.912 -6.653 1.00 0.00 C ATOM 316 CD1 LEU A 23 0.074 -2.245 -5.368 1.00 0.00 C ATOM 317 CD2 LEU A 23 -1.383 -4.065 -6.369 1.00 0.00 C ATOM 0 H LEU A 23 -1.539 0.236 -8.758 1.00 0.00 H new ATOM 0 HA LEU A 23 0.841 -1.184 -8.205 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.434 -1.061 -6.999 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.907 -2.353 -8.085 1.00 0.00 H new ATOM 0 HG LEU A 23 0.455 -3.338 -7.147 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.519 -2.996 -4.715 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.821 -1.490 -5.613 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.766 -1.773 -4.858 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.909 -4.779 -5.695 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.289 -3.675 -5.905 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.639 -4.564 -7.304 1.00 0.00 H new ATOM 329 N LYS A 24 -1.023 -2.521 -10.568 1.00 0.00 N ATOM 330 CA LYS A 24 -0.977 -3.397 -11.726 1.00 0.00 C ATOM 331 C LYS A 24 0.218 -3.016 -12.601 1.00 0.00 C ATOM 332 O LYS A 24 0.958 -3.885 -13.059 1.00 0.00 O ATOM 333 CB LYS A 24 -2.315 -3.374 -12.467 1.00 0.00 C ATOM 334 CG LYS A 24 -2.397 -4.513 -13.485 1.00 0.00 C ATOM 335 CD LYS A 24 -3.521 -4.268 -14.494 1.00 0.00 C ATOM 336 CE LYS A 24 -4.600 -5.347 -14.386 1.00 0.00 C ATOM 337 NZ LYS A 24 -5.713 -4.884 -13.527 1.00 0.00 N ATOM 0 H LYS A 24 -1.947 -2.146 -10.353 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.828 -4.431 -11.416 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.133 -3.461 -11.752 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.437 -2.418 -12.975 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.446 -4.605 -14.010 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.568 -5.457 -12.967 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.964 -3.287 -14.320 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.112 -4.258 -15.504 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.977 -5.593 -15.379 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.170 -6.260 -13.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.436 -5.629 -13.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.352 -4.672 -12.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.134 -4.026 -13.937 1.00 0.00 H new ATOM 351 N ARG A 25 0.369 -1.716 -12.808 1.00 0.00 N ATOM 352 CA ARG A 25 1.463 -1.210 -13.621 1.00 0.00 C ATOM 353 C ARG A 25 2.807 -1.557 -12.978 1.00 0.00 C ATOM 354 O ARG A 25 3.784 -1.816 -13.678 1.00 0.00 O ATOM 355 CB ARG A 25 1.364 0.308 -13.792 1.00 0.00 C ATOM 356 CG ARG A 25 0.581 0.667 -15.057 1.00 0.00 C ATOM 357 CD ARG A 25 -0.312 1.886 -14.821 1.00 0.00 C ATOM 358 NE ARG A 25 0.356 3.107 -15.324 1.00 0.00 N ATOM 359 CZ ARG A 25 -0.244 4.301 -15.433 1.00 0.00 C ATOM 360 NH1 ARG A 25 -1.528 4.440 -15.075 1.00 0.00 N ATOM 361 NH2 ARG A 25 0.440 5.354 -15.899 1.00 0.00 N ATOM 0 H ARG A 25 -0.247 -0.998 -12.427 1.00 0.00 H new ATOM 0 HA ARG A 25 1.394 -1.681 -14.602 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.875 0.745 -12.921 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.364 0.738 -13.845 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.275 0.872 -15.872 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.030 -0.182 -15.364 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.268 1.750 -15.326 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.526 1.990 -13.757 1.00 0.00 H new ATOM 0 HE ARG A 25 1.334 3.036 -15.605 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.048 3.638 -14.720 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.985 5.348 -15.158 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.417 5.247 -16.171 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.016 6.262 -15.982 1.00 0.00 H new ATOM 375 N TYR A 26 2.812 -1.551 -11.653 1.00 0.00 N ATOM 376 CA TYR A 26 4.021 -1.863 -10.909 1.00 0.00 C ATOM 377 C TYR A 26 4.243 -3.375 -10.833 1.00 0.00 C ATOM 378 O TYR A 26 5.382 -3.837 -10.806 1.00 0.00 O ATOM 379 CB TYR A 26 3.797 -1.321 -9.495 1.00 0.00 C ATOM 380 CG TYR A 26 5.050 -1.336 -8.618 1.00 0.00 C ATOM 381 CD1 TYR A 26 5.562 -2.536 -8.168 1.00 0.00 C ATOM 382 CD2 TYR A 26 5.667 -0.150 -8.275 1.00 0.00 C ATOM 383 CE1 TYR A 26 6.741 -2.550 -7.342 1.00 0.00 C ATOM 384 CE2 TYR A 26 6.846 -0.165 -7.449 1.00 0.00 C ATOM 385 CZ TYR A 26 7.325 -1.364 -7.023 1.00 0.00 C ATOM 386 OH TYR A 26 8.439 -1.378 -6.242 1.00 0.00 O ATOM 0 H TYR A 26 1.999 -1.335 -11.076 1.00 0.00 H new ATOM 0 HA TYR A 26 4.894 -1.424 -11.392 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.426 -0.298 -9.563 1.00 0.00 H new ATOM 0 HB3 TYR A 26 3.019 -1.911 -9.010 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.078 -3.464 -8.435 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.265 0.789 -8.626 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.153 -3.482 -6.984 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.339 0.756 -7.174 1.00 0.00 H new ATOM 0 HH TYR A 26 9.138 -0.833 -6.660 1.00 0.00 H new ATOM 396 N VAL A 27 3.136 -4.103 -10.799 1.00 0.00 N ATOM 397 CA VAL A 27 3.197 -5.553 -10.726 1.00 0.00 C ATOM 398 C VAL A 27 3.680 -6.107 -12.068 1.00 0.00 C ATOM 399 O VAL A 27 4.597 -6.925 -12.111 1.00 0.00 O ATOM 400 CB VAL A 27 1.837 -6.111 -10.303 1.00 0.00 C ATOM 401 CG1 VAL A 27 1.923 -7.615 -10.031 1.00 0.00 C ATOM 402 CG2 VAL A 27 1.292 -5.364 -9.085 1.00 0.00 C ATOM 0 H VAL A 27 2.193 -3.716 -10.821 1.00 0.00 H new ATOM 0 HA VAL A 27 3.914 -5.869 -9.968 1.00 0.00 H new ATOM 0 HB VAL A 27 1.141 -5.958 -11.128 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.943 -7.987 -9.732 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.247 -8.130 -10.935 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.641 -7.800 -9.232 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.324 -5.781 -8.806 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.987 -5.470 -8.252 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.176 -4.308 -9.328 1.00 0.00 H new ATOM 412 N LEU A 28 3.040 -5.638 -13.130 1.00 0.00 N ATOM 413 CA LEU A 28 3.393 -6.077 -14.469 1.00 0.00 C ATOM 414 C LEU A 28 4.896 -5.887 -14.685 1.00 0.00 C ATOM 415 O LEU A 28 5.559 -6.748 -15.259 1.00 0.00 O ATOM 416 CB LEU A 28 2.527 -5.367 -15.511 1.00 0.00 C ATOM 417 CG LEU A 28 1.538 -6.249 -16.276 1.00 0.00 C ATOM 418 CD1 LEU A 28 0.383 -6.686 -15.373 1.00 0.00 C ATOM 419 CD2 LEU A 28 1.042 -5.547 -17.541 1.00 0.00 C ATOM 0 H LEU A 28 2.280 -4.959 -13.090 1.00 0.00 H new ATOM 0 HA LEU A 28 3.186 -7.141 -14.588 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.967 -4.577 -15.011 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.185 -4.883 -16.233 1.00 0.00 H new ATOM 0 HG LEU A 28 2.060 -7.152 -16.593 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.306 -7.312 -15.940 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.776 -7.252 -14.528 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.145 -5.806 -15.006 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.341 -6.196 -18.066 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.543 -4.617 -17.269 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.889 -5.327 -18.191 1.00 0.00 H new ATOM 431 N ARG A 29 5.389 -4.751 -14.212 1.00 0.00 N ATOM 432 CA ARG A 29 6.802 -4.436 -14.345 1.00 0.00 C ATOM 433 C ARG A 29 7.142 -3.176 -13.546 1.00 0.00 C ATOM 434 O ARG A 29 6.250 -2.505 -13.030 1.00 0.00 O ATOM 435 CB ARG A 29 7.181 -4.220 -15.812 1.00 0.00 C ATOM 436 CG ARG A 29 6.309 -3.137 -16.449 1.00 0.00 C ATOM 437 CD ARG A 29 6.855 -1.741 -16.141 1.00 0.00 C ATOM 438 NE ARG A 29 7.225 -1.054 -17.399 1.00 0.00 N ATOM 439 CZ ARG A 29 8.427 -1.152 -17.983 1.00 0.00 C ATOM 440 NH1 ARG A 29 9.382 -1.911 -17.428 1.00 0.00 N ATOM 441 NH2 ARG A 29 8.674 -0.493 -19.123 1.00 0.00 N ATOM 0 H ARG A 29 4.836 -4.038 -13.737 1.00 0.00 H new ATOM 0 HA ARG A 29 7.369 -5.281 -13.955 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.231 -3.935 -15.882 1.00 0.00 H new ATOM 0 HB3 ARG A 29 7.067 -5.154 -16.362 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.269 -3.286 -17.528 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.288 -3.222 -16.077 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.106 -1.158 -15.605 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.725 -1.817 -15.489 1.00 0.00 H new ATOM 0 HE ARG A 29 6.521 -0.469 -17.849 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.194 -2.414 -16.561 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.297 -1.986 -17.873 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.947 0.084 -19.547 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.589 -0.568 -19.567 1.00 0.00 H new ATOM 455 N SER A 30 8.434 -2.894 -13.470 1.00 0.00 N ATOM 456 CA SER A 30 8.903 -1.727 -12.743 1.00 0.00 C ATOM 457 C SER A 30 9.131 -0.564 -13.710 1.00 0.00 C ATOM 458 O SER A 30 10.194 -0.457 -14.319 1.00 0.00 O ATOM 459 CB SER A 30 10.189 -2.036 -11.974 1.00 0.00 C ATOM 460 OG SER A 30 10.063 -1.750 -10.584 1.00 0.00 O ATOM 0 H SER A 30 9.171 -3.453 -13.900 1.00 0.00 H new ATOM 0 HA SER A 30 8.138 -1.446 -12.020 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.446 -3.087 -12.106 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.010 -1.452 -12.391 1.00 0.00 H new ATOM 0 HG SER A 30 10.904 -1.962 -10.129 1.00 0.00 H new ATOM 466 N GLY A 31 8.114 0.279 -13.822 1.00 0.00 N ATOM 467 CA GLY A 31 8.190 1.431 -14.705 1.00 0.00 C ATOM 468 C GLY A 31 7.427 2.621 -14.121 1.00 0.00 C ATOM 469 O GLY A 31 7.918 3.748 -14.145 1.00 0.00 O ATOM 0 H GLY A 31 7.233 0.187 -13.316 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.233 1.705 -14.862 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.778 1.174 -15.681 1.00 0.00 H new ATOM 473 N ILE A 32 6.241 2.330 -13.610 1.00 0.00 N ATOM 474 CA ILE A 32 5.406 3.362 -13.020 1.00 0.00 C ATOM 475 C ILE A 32 6.155 4.017 -11.857 1.00 0.00 C ATOM 476 O ILE A 32 7.141 3.470 -11.364 1.00 0.00 O ATOM 477 CB ILE A 32 4.042 2.789 -12.627 1.00 0.00 C ATOM 478 CG1 ILE A 32 3.071 3.905 -12.234 1.00 0.00 C ATOM 479 CG2 ILE A 32 4.186 1.739 -11.524 1.00 0.00 C ATOM 480 CD1 ILE A 32 1.657 3.356 -12.033 1.00 0.00 C ATOM 0 H ILE A 32 5.838 1.393 -13.592 1.00 0.00 H new ATOM 0 HA ILE A 32 5.199 4.146 -13.749 1.00 0.00 H new ATOM 0 HB ILE A 32 3.619 2.286 -13.497 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.413 4.383 -11.316 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.060 4.672 -13.008 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.203 1.348 -11.263 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.818 0.925 -11.877 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.640 2.195 -10.644 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.987 4.169 -11.754 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.309 2.900 -12.960 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.667 2.607 -11.241 1.00 0.00 H new ATOM 492 N SER A 33 5.661 5.177 -11.454 1.00 0.00 N ATOM 493 CA SER A 33 6.271 5.912 -10.359 1.00 0.00 C ATOM 494 C SER A 33 5.335 5.922 -9.149 1.00 0.00 C ATOM 495 O SER A 33 4.181 6.332 -9.256 1.00 0.00 O ATOM 496 CB SER A 33 6.612 7.343 -10.779 1.00 0.00 C ATOM 497 OG SER A 33 7.985 7.484 -11.131 1.00 0.00 O ATOM 0 H SER A 33 4.844 5.627 -11.866 1.00 0.00 H new ATOM 0 HA SER A 33 7.200 5.411 -10.087 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.989 7.630 -11.626 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.375 8.026 -9.963 1.00 0.00 H new ATOM 0 HG SER A 33 8.162 8.411 -11.395 1.00 0.00 H new ATOM 503 N ILE A 34 5.867 5.463 -8.025 1.00 0.00 N ATOM 504 CA ILE A 34 5.094 5.414 -6.796 1.00 0.00 C ATOM 505 C ILE A 34 6.034 5.583 -5.600 1.00 0.00 C ATOM 506 O ILE A 34 7.234 5.335 -5.710 1.00 0.00 O ATOM 507 CB ILE A 34 4.253 4.138 -6.743 1.00 0.00 C ATOM 508 CG1 ILE A 34 5.133 2.912 -6.488 1.00 0.00 C ATOM 509 CG2 ILE A 34 3.409 3.984 -8.009 1.00 0.00 C ATOM 510 CD1 ILE A 34 4.477 1.966 -5.481 1.00 0.00 C ATOM 0 H ILE A 34 6.824 5.122 -7.940 1.00 0.00 H new ATOM 0 HA ILE A 34 4.382 6.238 -6.760 1.00 0.00 H new ATOM 0 HB ILE A 34 3.562 4.219 -5.904 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.309 2.385 -7.426 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.106 3.230 -6.113 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.821 3.069 -7.945 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.740 4.839 -8.107 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.064 3.934 -8.879 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.123 1.103 -5.318 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.324 2.489 -4.537 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.515 1.631 -5.870 1.00 0.00 H new ATOM 522 N ASN A 35 5.453 6.002 -4.486 1.00 0.00 N ATOM 523 CA ASN A 35 6.223 6.206 -3.272 1.00 0.00 C ATOM 524 C ASN A 35 6.420 4.863 -2.566 1.00 0.00 C ATOM 525 O ASN A 35 6.070 4.715 -1.396 1.00 0.00 O ATOM 526 CB ASN A 35 5.493 7.144 -2.308 1.00 0.00 C ATOM 527 CG ASN A 35 4.601 8.126 -3.069 1.00 0.00 C ATOM 528 OD1 ASN A 35 3.408 7.634 -3.393 1.00 0.00 O flip ATOM 529 ND2 ASN A 35 4.970 9.257 -3.343 1.00 0.00 N flip ATOM 0 H ASN A 35 4.457 6.206 -4.399 1.00 0.00 H new ATOM 0 HA ASN A 35 7.180 6.648 -3.550 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.888 6.560 -1.615 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.220 7.695 -1.711 1.00 0.00 H new ATOM 0 HD21 ASN A 35 5.899 9.572 -3.064 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.349 9.887 -3.850 1.00 0.00 H new ATOM 536 N THR A 36 6.980 3.918 -3.307 1.00 0.00 N ATOM 537 CA THR A 36 7.227 2.592 -2.767 1.00 0.00 C ATOM 538 C THR A 36 8.316 2.649 -1.693 1.00 0.00 C ATOM 539 O THR A 36 8.570 1.658 -1.008 1.00 0.00 O ATOM 540 CB THR A 36 7.571 1.664 -3.933 1.00 0.00 C ATOM 541 OG1 THR A 36 7.529 0.359 -3.362 1.00 0.00 O ATOM 542 CG2 THR A 36 9.021 1.820 -4.398 1.00 0.00 C ATOM 0 H THR A 36 7.270 4.044 -4.277 1.00 0.00 H new ATOM 0 HA THR A 36 6.343 2.196 -2.268 1.00 0.00 H new ATOM 0 HB THR A 36 6.899 1.865 -4.767 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.898 0.387 -2.454 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.212 1.139 -5.227 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.190 2.846 -4.725 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.695 1.586 -3.574 1.00 0.00 H new ATOM 550 N ASP A 37 8.930 3.817 -1.579 1.00 0.00 N ATOM 551 CA ASP A 37 9.984 4.015 -0.600 1.00 0.00 C ATOM 552 C ASP A 37 9.605 3.308 0.704 1.00 0.00 C ATOM 553 O ASP A 37 10.328 2.429 1.170 1.00 0.00 O ATOM 554 CB ASP A 37 10.177 5.502 -0.291 1.00 0.00 C ATOM 555 CG ASP A 37 11.489 6.103 -0.802 1.00 0.00 C ATOM 556 OD1 ASP A 37 12.220 5.364 -1.497 1.00 0.00 O ATOM 557 OD2 ASP A 37 11.730 7.287 -0.487 1.00 0.00 O ATOM 0 H ASP A 37 8.718 4.636 -2.149 1.00 0.00 H new ATOM 0 HA ASP A 37 10.907 3.609 -1.013 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.346 6.059 -0.725 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.126 5.643 0.789 1.00 0.00 H new ATOM 562 N ASN A 38 8.471 3.718 1.253 1.00 0.00 N ATOM 563 CA ASN A 38 7.987 3.134 2.493 1.00 0.00 C ATOM 564 C ASN A 38 6.663 2.415 2.230 1.00 0.00 C ATOM 565 O ASN A 38 5.628 2.793 2.776 1.00 0.00 O ATOM 566 CB ASN A 38 7.738 4.213 3.549 1.00 0.00 C ATOM 567 CG ASN A 38 7.086 5.449 2.927 1.00 0.00 C ATOM 568 OD1 ASN A 38 7.571 6.021 1.965 1.00 0.00 O ATOM 569 ND2 ASN A 38 5.960 5.828 3.527 1.00 0.00 N ATOM 0 H ASN A 38 7.874 4.447 0.863 1.00 0.00 H new ATOM 0 HA ASN A 38 8.745 2.440 2.858 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.096 3.816 4.335 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.681 4.492 4.018 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.449 6.642 3.185 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.608 5.305 4.329 1.00 0.00 H new ATOM 576 N ALA A 39 6.740 1.390 1.393 1.00 0.00 N ATOM 577 CA ALA A 39 5.559 0.614 1.051 1.00 0.00 C ATOM 578 C ALA A 39 5.803 -0.855 1.400 1.00 0.00 C ATOM 579 O ALA A 39 5.423 -1.313 2.477 1.00 0.00 O ATOM 580 CB ALA A 39 5.228 0.815 -0.429 1.00 0.00 C ATOM 0 H ALA A 39 7.601 1.079 0.942 1.00 0.00 H new ATOM 0 HA ALA A 39 4.697 0.951 1.626 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.343 0.233 -0.686 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.036 1.871 -0.619 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.069 0.484 -1.038 1.00 0.00 H new ATOM 586 N ASP A 40 6.432 -1.556 0.468 1.00 0.00 N ATOM 587 CA ASP A 40 6.731 -2.964 0.663 1.00 0.00 C ATOM 588 C ASP A 40 7.209 -3.186 2.099 1.00 0.00 C ATOM 589 O ASP A 40 8.049 -2.440 2.600 1.00 0.00 O ATOM 590 CB ASP A 40 7.842 -3.428 -0.281 1.00 0.00 C ATOM 591 CG ASP A 40 8.471 -4.777 0.074 1.00 0.00 C ATOM 592 OD1 ASP A 40 7.689 -5.719 0.324 1.00 0.00 O ATOM 593 OD2 ASP A 40 9.719 -4.835 0.086 1.00 0.00 O ATOM 0 H ASP A 40 6.743 -1.174 -0.425 1.00 0.00 H new ATOM 0 HA ASP A 40 5.823 -3.532 0.459 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.438 -3.487 -1.292 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.626 -2.671 -0.295 1.00 0.00 H new ATOM 598 N LEU A 41 6.653 -4.214 2.723 1.00 0.00 N ATOM 599 CA LEU A 41 7.011 -4.543 4.092 1.00 0.00 C ATOM 600 C LEU A 41 7.124 -6.062 4.233 1.00 0.00 C ATOM 601 O LEU A 41 7.169 -6.584 5.346 1.00 0.00 O ATOM 602 CB LEU A 41 6.025 -3.906 5.071 1.00 0.00 C ATOM 603 CG LEU A 41 6.567 -2.746 5.910 1.00 0.00 C ATOM 604 CD1 LEU A 41 7.377 -1.778 5.046 1.00 0.00 C ATOM 605 CD2 LEU A 41 5.437 -2.038 6.660 1.00 0.00 C ATOM 0 H LEU A 41 5.956 -4.831 2.305 1.00 0.00 H new ATOM 0 HA LEU A 41 7.986 -4.126 4.342 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.163 -3.549 4.507 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.664 -4.680 5.748 1.00 0.00 H new ATOM 0 HG LEU A 41 7.245 -3.153 6.660 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.751 -0.963 5.666 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.217 -2.307 4.597 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.741 -1.373 4.259 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.849 -1.218 7.248 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.716 -1.644 5.944 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.940 -2.747 7.323 1.00 0.00 H new ATOM 617 N ASN A 42 7.169 -6.729 3.089 1.00 0.00 N ATOM 618 CA ASN A 42 7.277 -8.178 3.072 1.00 0.00 C ATOM 619 C ASN A 42 8.156 -8.606 1.895 1.00 0.00 C ATOM 620 O ASN A 42 8.159 -9.775 1.510 1.00 0.00 O ATOM 621 CB ASN A 42 5.905 -8.831 2.898 1.00 0.00 C ATOM 622 CG ASN A 42 4.804 -7.968 3.521 1.00 0.00 C ATOM 623 OD1 ASN A 42 4.691 -6.780 3.264 1.00 0.00 O ATOM 624 ND2 ASN A 42 4.002 -8.628 4.350 1.00 0.00 N ATOM 0 H ASN A 42 7.133 -6.293 2.168 1.00 0.00 H new ATOM 0 HA ASN A 42 7.709 -8.494 4.021 1.00 0.00 H new ATOM 0 HB2 ASN A 42 5.700 -8.978 1.838 1.00 0.00 H new ATOM 0 HB3 ASN A 42 5.906 -9.817 3.363 1.00 0.00 H new ATOM 0 HD21 ASN A 42 3.236 -8.140 4.815 1.00 0.00 H new ATOM 0 HD22 ASN A 42 4.152 -9.622 4.521 1.00 0.00 H new ATOM 631 N GLU A 43 8.881 -7.637 1.357 1.00 0.00 N ATOM 632 CA GLU A 43 9.762 -7.899 0.231 1.00 0.00 C ATOM 633 C GLU A 43 8.952 -8.361 -0.981 1.00 0.00 C ATOM 634 O GLU A 43 9.269 -9.381 -1.592 1.00 0.00 O ATOM 635 CB GLU A 43 10.833 -8.928 0.600 1.00 0.00 C ATOM 636 CG GLU A 43 11.933 -8.293 1.452 1.00 0.00 C ATOM 637 CD GLU A 43 12.957 -9.340 1.894 1.00 0.00 C ATOM 638 OE1 GLU A 43 13.848 -9.644 1.072 1.00 0.00 O ATOM 639 OE2 GLU A 43 12.827 -9.812 3.044 1.00 0.00 O ATOM 0 H GLU A 43 8.877 -6.669 1.679 1.00 0.00 H new ATOM 0 HA GLU A 43 10.271 -6.971 -0.030 1.00 0.00 H new ATOM 0 HB2 GLU A 43 10.376 -9.754 1.146 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.267 -9.347 -0.307 1.00 0.00 H new ATOM 0 HG2 GLU A 43 12.432 -7.509 0.883 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.491 -7.819 2.328 1.00 0.00 H new ATOM 646 N ASP A 44 7.922 -7.590 -1.294 1.00 0.00 N ATOM 647 CA ASP A 44 7.063 -7.908 -2.422 1.00 0.00 C ATOM 648 C ASP A 44 6.991 -6.700 -3.359 1.00 0.00 C ATOM 649 O ASP A 44 6.941 -6.858 -4.578 1.00 0.00 O ATOM 650 CB ASP A 44 5.641 -8.232 -1.959 1.00 0.00 C ATOM 651 CG ASP A 44 5.530 -8.743 -0.521 1.00 0.00 C ATOM 652 OD1 ASP A 44 6.426 -9.519 -0.124 1.00 0.00 O ATOM 653 OD2 ASP A 44 4.553 -8.346 0.149 1.00 0.00 O ATOM 0 H ASP A 44 7.662 -6.745 -0.786 1.00 0.00 H new ATOM 0 HA ASP A 44 7.483 -8.776 -2.931 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.029 -7.335 -2.058 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.219 -8.981 -2.629 1.00 0.00 H new ATOM 658 N GLY A 45 6.988 -5.521 -2.754 1.00 0.00 N ATOM 659 CA GLY A 45 6.923 -4.288 -3.519 1.00 0.00 C ATOM 660 C GLY A 45 5.792 -3.389 -3.014 1.00 0.00 C ATOM 661 O GLY A 45 6.030 -2.249 -2.617 1.00 0.00 O ATOM 0 H GLY A 45 7.030 -5.394 -1.743 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.873 -3.759 -3.445 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.767 -4.517 -4.573 1.00 0.00 H new ATOM 665 N ARG A 46 4.586 -3.935 -3.046 1.00 0.00 N ATOM 666 CA ARG A 46 3.417 -3.197 -2.598 1.00 0.00 C ATOM 667 C ARG A 46 2.414 -4.143 -1.933 1.00 0.00 C ATOM 668 O ARG A 46 2.456 -4.346 -0.720 1.00 0.00 O ATOM 669 CB ARG A 46 2.736 -2.481 -3.765 1.00 0.00 C ATOM 670 CG ARG A 46 3.592 -1.318 -4.270 1.00 0.00 C ATOM 671 CD ARG A 46 4.151 -1.613 -5.664 1.00 0.00 C ATOM 672 NE ARG A 46 4.706 -2.984 -5.707 1.00 0.00 N ATOM 673 CZ ARG A 46 4.054 -4.042 -6.209 1.00 0.00 C ATOM 674 NH1 ARG A 46 2.821 -3.893 -6.712 1.00 0.00 N ATOM 675 NH2 ARG A 46 4.636 -5.250 -6.207 1.00 0.00 N ATOM 0 H ARG A 46 4.392 -4.881 -3.375 1.00 0.00 H new ATOM 0 HA ARG A 46 3.752 -2.452 -1.876 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.560 -3.187 -4.577 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.761 -2.109 -3.449 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.994 -0.407 -4.300 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.413 -1.138 -3.576 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.364 -1.507 -6.410 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.927 -0.890 -5.914 1.00 0.00 H new ATOM 0 HE ARG A 46 5.643 -3.133 -5.331 1.00 0.00 H new ATOM 0 HH11 ARG A 46 2.378 -2.974 -6.713 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.325 -4.698 -7.094 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.574 -5.363 -5.824 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.140 -6.056 -6.589 1.00 0.00 H new ATOM 689 N VAL A 47 1.537 -4.697 -2.757 1.00 0.00 N ATOM 690 CA VAL A 47 0.526 -5.617 -2.265 1.00 0.00 C ATOM 691 C VAL A 47 0.377 -6.779 -3.248 1.00 0.00 C ATOM 692 O VAL A 47 -0.254 -6.635 -4.294 1.00 0.00 O ATOM 693 CB VAL A 47 -0.786 -4.869 -2.020 1.00 0.00 C ATOM 694 CG1 VAL A 47 -0.626 -3.826 -0.913 1.00 0.00 C ATOM 695 CG2 VAL A 47 -1.299 -4.225 -3.310 1.00 0.00 C ATOM 0 H VAL A 47 1.506 -4.526 -3.762 1.00 0.00 H new ATOM 0 HA VAL A 47 0.828 -6.040 -1.307 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.528 -5.596 -1.689 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.574 -3.310 -0.760 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.328 -4.320 0.012 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.138 -3.104 -1.201 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.233 -3.700 -3.108 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.558 -3.518 -3.683 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.472 -4.998 -4.059 1.00 0.00 H new ATOM 705 N ASN A 48 0.970 -7.904 -2.878 1.00 0.00 N ATOM 706 CA ASN A 48 0.912 -9.091 -3.715 1.00 0.00 C ATOM 707 C ASN A 48 -0.445 -9.773 -3.531 1.00 0.00 C ATOM 708 O ASN A 48 -1.036 -10.258 -4.496 1.00 0.00 O ATOM 709 CB ASN A 48 2.001 -10.093 -3.327 1.00 0.00 C ATOM 710 CG ASN A 48 3.161 -10.056 -4.323 1.00 0.00 C ATOM 711 OD1 ASN A 48 3.685 -8.846 -4.499 1.00 0.00 O flip ATOM 712 ND2 ASN A 48 3.555 -11.059 -4.895 1.00 0.00 N flip ATOM 0 H ASN A 48 1.493 -8.019 -2.010 1.00 0.00 H new ATOM 0 HA ASN A 48 1.059 -8.781 -4.750 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.369 -9.866 -2.326 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.580 -11.098 -3.291 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.108 -11.958 -4.714 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.331 -10.999 -5.554 1.00 0.00 H new ATOM 719 N SER A 49 -0.900 -9.789 -2.287 1.00 0.00 N ATOM 720 CA SER A 49 -2.176 -10.405 -1.964 1.00 0.00 C ATOM 721 C SER A 49 -2.403 -10.378 -0.451 1.00 0.00 C ATOM 722 O SER A 49 -3.531 -10.202 0.008 1.00 0.00 O ATOM 723 CB SER A 49 -2.243 -11.841 -2.485 1.00 0.00 C ATOM 724 OG SER A 49 -3.404 -12.067 -3.282 1.00 0.00 O ATOM 0 H SER A 49 -0.408 -9.385 -1.490 1.00 0.00 H new ATOM 0 HA SER A 49 -2.964 -9.833 -2.453 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.351 -12.055 -3.075 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.241 -12.533 -1.643 1.00 0.00 H new ATOM 0 HG SER A 49 -3.409 -12.995 -3.597 1.00 0.00 H new ATOM 730 N THR A 50 -1.313 -10.555 0.281 1.00 0.00 N ATOM 731 CA THR A 50 -1.378 -10.554 1.732 1.00 0.00 C ATOM 732 C THR A 50 -1.390 -9.119 2.264 1.00 0.00 C ATOM 733 O THR A 50 -2.341 -8.706 2.927 1.00 0.00 O ATOM 734 CB THR A 50 -0.210 -11.388 2.259 1.00 0.00 C ATOM 735 OG1 THR A 50 -0.607 -12.735 2.017 1.00 0.00 O ATOM 736 CG2 THR A 50 -0.073 -11.308 3.781 1.00 0.00 C ATOM 0 H THR A 50 -0.380 -10.700 -0.104 1.00 0.00 H new ATOM 0 HA THR A 50 -2.304 -11.007 2.087 1.00 0.00 H new ATOM 0 HB THR A 50 0.716 -11.050 1.793 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.095 -13.344 2.328 1.00 0.00 H new ATOM 0 HG21 THR A 50 0.771 -11.918 4.103 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.094 -10.272 4.077 1.00 0.00 H new ATOM 0 HG23 THR A 50 -0.986 -11.677 4.248 1.00 0.00 H new ATOM 744 N ASP A 51 -0.321 -8.399 1.955 1.00 0.00 N ATOM 745 CA ASP A 51 -0.196 -7.020 2.393 1.00 0.00 C ATOM 746 C ASP A 51 -1.530 -6.299 2.183 1.00 0.00 C ATOM 747 O ASP A 51 -2.073 -5.707 3.115 1.00 0.00 O ATOM 748 CB ASP A 51 0.872 -6.280 1.586 1.00 0.00 C ATOM 749 CG ASP A 51 2.300 -6.425 2.118 1.00 0.00 C ATOM 750 OD1 ASP A 51 2.905 -7.482 1.836 1.00 0.00 O ATOM 751 OD2 ASP A 51 2.754 -5.476 2.793 1.00 0.00 O ATOM 0 H ASP A 51 0.466 -8.745 1.407 1.00 0.00 H new ATOM 0 HA ASP A 51 0.086 -7.026 3.446 1.00 0.00 H new ATOM 0 HB2 ASP A 51 0.845 -6.641 0.558 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.616 -5.221 1.558 1.00 0.00 H new ATOM 756 N LEU A 52 -2.018 -6.372 0.955 1.00 0.00 N ATOM 757 CA LEU A 52 -3.278 -5.734 0.611 1.00 0.00 C ATOM 758 C LEU A 52 -4.267 -5.916 1.763 1.00 0.00 C ATOM 759 O LEU A 52 -4.919 -4.961 2.183 1.00 0.00 O ATOM 760 CB LEU A 52 -3.795 -6.257 -0.732 1.00 0.00 C ATOM 761 CG LEU A 52 -5.231 -6.780 -0.740 1.00 0.00 C ATOM 762 CD1 LEU A 52 -6.235 -5.627 -0.661 1.00 0.00 C ATOM 763 CD2 LEU A 52 -5.483 -7.675 -1.955 1.00 0.00 C ATOM 0 H LEU A 52 -1.564 -6.863 0.185 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.138 -4.661 0.476 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.718 -5.455 -1.466 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.136 -7.058 -1.065 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.374 -7.395 0.148 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.249 -6.026 -0.668 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.073 -5.066 0.259 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.099 -4.967 -1.518 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.512 -8.033 -1.936 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.314 -7.105 -2.868 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.802 -8.526 -1.928 1.00 0.00 H new ATOM 775 N GLY A 53 -4.351 -7.149 2.240 1.00 0.00 N ATOM 776 CA GLY A 53 -5.250 -7.468 3.336 1.00 0.00 C ATOM 777 C GLY A 53 -4.940 -6.615 4.567 1.00 0.00 C ATOM 778 O GLY A 53 -5.826 -5.961 5.114 1.00 0.00 O ATOM 0 H GLY A 53 -3.811 -7.939 1.887 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.281 -7.302 3.025 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.160 -8.524 3.589 1.00 0.00 H new ATOM 782 N ILE A 54 -3.677 -6.649 4.968 1.00 0.00 N ATOM 783 CA ILE A 54 -3.237 -5.887 6.124 1.00 0.00 C ATOM 784 C ILE A 54 -3.532 -4.403 5.894 1.00 0.00 C ATOM 785 O ILE A 54 -4.036 -3.721 6.785 1.00 0.00 O ATOM 786 CB ILE A 54 -1.769 -6.181 6.433 1.00 0.00 C ATOM 787 CG1 ILE A 54 -1.611 -7.556 7.087 1.00 0.00 C ATOM 788 CG2 ILE A 54 -1.154 -5.069 7.284 1.00 0.00 C ATOM 789 CD1 ILE A 54 -2.494 -7.676 8.331 1.00 0.00 C ATOM 0 H ILE A 54 -2.944 -7.193 4.512 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.792 -6.189 7.012 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.221 -6.207 5.491 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.876 -8.335 6.372 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.568 -7.715 7.360 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.109 -5.303 7.489 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.215 -4.123 6.746 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.699 -4.987 8.224 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.363 -8.662 8.776 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.210 -6.911 9.054 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.538 -7.541 8.050 1.00 0.00 H new ATOM 801 N LEU A 55 -3.205 -3.947 4.694 1.00 0.00 N ATOM 802 CA LEU A 55 -3.428 -2.557 4.335 1.00 0.00 C ATOM 803 C LEU A 55 -4.909 -2.219 4.517 1.00 0.00 C ATOM 804 O LEU A 55 -5.258 -1.354 5.319 1.00 0.00 O ATOM 805 CB LEU A 55 -2.901 -2.277 2.926 1.00 0.00 C ATOM 806 CG LEU A 55 -1.382 -2.158 2.789 1.00 0.00 C ATOM 807 CD1 LEU A 55 -0.802 -3.367 2.052 1.00 0.00 C ATOM 808 CD2 LEU A 55 -0.994 -0.839 2.119 1.00 0.00 C ATOM 0 H LEU A 55 -2.787 -4.516 3.958 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.867 -1.897 4.997 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.244 -3.074 2.266 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.352 -1.351 2.568 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.948 -2.151 3.789 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.279 -3.258 1.968 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.033 -4.276 2.607 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.239 -3.430 1.055 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.091 -0.780 2.034 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.439 -0.791 1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.357 -0.005 2.720 1.00 0.00 H new ATOM 820 N LYS A 56 -5.740 -2.920 3.760 1.00 0.00 N ATOM 821 CA LYS A 56 -7.176 -2.705 3.827 1.00 0.00 C ATOM 822 C LYS A 56 -7.662 -2.983 5.250 1.00 0.00 C ATOM 823 O LYS A 56 -8.818 -2.717 5.580 1.00 0.00 O ATOM 824 CB LYS A 56 -7.892 -3.534 2.760 1.00 0.00 C ATOM 825 CG LYS A 56 -7.875 -5.022 3.118 1.00 0.00 C ATOM 826 CD LYS A 56 -9.205 -5.687 2.756 1.00 0.00 C ATOM 827 CE LYS A 56 -9.952 -6.137 4.012 1.00 0.00 C ATOM 828 NZ LYS A 56 -11.351 -6.493 3.684 1.00 0.00 N ATOM 0 H LYS A 56 -5.447 -3.637 3.097 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.417 -1.665 3.604 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.922 -3.192 2.660 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.411 -3.383 1.794 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.061 -5.518 2.590 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.683 -5.141 4.184 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.823 -4.989 2.191 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.022 -6.546 2.110 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.447 -6.995 4.455 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.938 -5.340 4.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.844 -6.796 4.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.835 -5.665 3.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.359 -7.268 2.991 1.00 0.00 H new ATOM 842 N ARG A 57 -6.756 -3.515 6.059 1.00 0.00 N ATOM 843 CA ARG A 57 -7.078 -3.832 7.439 1.00 0.00 C ATOM 844 C ARG A 57 -6.747 -2.646 8.347 1.00 0.00 C ATOM 845 O ARG A 57 -7.583 -2.214 9.140 1.00 0.00 O ATOM 846 CB ARG A 57 -6.305 -5.063 7.917 1.00 0.00 C ATOM 847 CG ARG A 57 -7.239 -6.259 8.106 1.00 0.00 C ATOM 848 CD ARG A 57 -6.911 -7.013 9.397 1.00 0.00 C ATOM 849 NE ARG A 57 -7.993 -7.970 9.713 1.00 0.00 N ATOM 850 CZ ARG A 57 -8.181 -8.520 10.921 1.00 0.00 C ATOM 851 NH1 ARG A 57 -7.360 -8.210 11.933 1.00 0.00 N ATOM 852 NH2 ARG A 57 -9.191 -9.380 11.116 1.00 0.00 N ATOM 0 H ARG A 57 -5.799 -3.734 5.784 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.146 -4.046 7.489 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -5.530 -5.314 7.193 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.802 -4.838 8.857 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.273 -5.916 8.134 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.149 -6.933 7.254 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.965 -7.544 9.287 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.787 -6.307 10.218 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.637 -8.228 8.965 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.592 -7.556 11.784 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.503 -8.628 12.852 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.816 -9.616 10.345 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.334 -9.799 12.035 1.00 0.00 H new ATOM 866 N TYR A 58 -5.527 -2.152 8.201 1.00 0.00 N ATOM 867 CA TYR A 58 -5.076 -1.024 8.999 1.00 0.00 C ATOM 868 C TYR A 58 -5.461 0.302 8.340 1.00 0.00 C ATOM 869 O TYR A 58 -5.603 1.318 9.018 1.00 0.00 O ATOM 870 CB TYR A 58 -3.550 -1.130 9.052 1.00 0.00 C ATOM 871 CG TYR A 58 -2.833 -0.334 7.959 1.00 0.00 C ATOM 872 CD1 TYR A 58 -2.896 1.045 7.954 1.00 0.00 C ATOM 873 CD2 TYR A 58 -2.123 -0.996 6.978 1.00 0.00 C ATOM 874 CE1 TYR A 58 -2.220 1.793 6.927 1.00 0.00 C ATOM 875 CE2 TYR A 58 -1.448 -0.246 5.950 1.00 0.00 C ATOM 876 CZ TYR A 58 -1.530 1.110 5.974 1.00 0.00 C ATOM 877 OH TYR A 58 -0.892 1.818 5.003 1.00 0.00 O ATOM 0 H TYR A 58 -4.836 -2.512 7.542 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.532 -1.046 9.989 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -3.205 -0.782 10.026 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.266 -2.179 8.969 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -3.453 1.563 8.721 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -2.074 -2.075 6.981 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -2.260 2.872 6.913 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.888 -0.751 5.176 1.00 0.00 H new ATOM 0 HH TYR A 58 -0.028 1.399 4.806 1.00 0.00 H new ATOM 887 N ILE A 59 -5.618 0.249 7.025 1.00 0.00 N ATOM 888 CA ILE A 59 -5.984 1.434 6.267 1.00 0.00 C ATOM 889 C ILE A 59 -7.496 1.648 6.363 1.00 0.00 C ATOM 890 O ILE A 59 -7.996 2.723 6.034 1.00 0.00 O ATOM 891 CB ILE A 59 -5.468 1.331 4.830 1.00 0.00 C ATOM 892 CG1 ILE A 59 -6.412 0.492 3.966 1.00 0.00 C ATOM 893 CG2 ILE A 59 -4.035 0.796 4.800 1.00 0.00 C ATOM 894 CD1 ILE A 59 -7.120 1.360 2.925 1.00 0.00 C ATOM 0 H ILE A 59 -5.499 -0.595 6.465 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.508 2.319 6.690 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.447 2.333 4.402 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.849 -0.296 3.465 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.151 0.002 4.599 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.692 0.732 3.767 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.384 1.469 5.358 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.007 -0.195 5.253 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.785 0.739 2.325 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -7.702 2.132 3.429 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.379 1.829 2.278 1.00 0.00 H new ATOM 906 N LEU A 60 -8.182 0.609 6.815 1.00 0.00 N ATOM 907 CA LEU A 60 -9.626 0.670 6.958 1.00 0.00 C ATOM 908 C LEU A 60 -10.004 1.937 7.728 1.00 0.00 C ATOM 909 O LEU A 60 -10.990 2.596 7.400 1.00 0.00 O ATOM 910 CB LEU A 60 -10.156 -0.616 7.594 1.00 0.00 C ATOM 911 CG LEU A 60 -11.481 -1.143 7.036 1.00 0.00 C ATOM 912 CD1 LEU A 60 -11.331 -1.562 5.573 1.00 0.00 C ATOM 913 CD2 LEU A 60 -12.029 -2.277 7.905 1.00 0.00 C ATOM 0 H LEU A 60 -7.764 -0.281 7.087 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.103 0.735 5.980 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.401 -1.393 7.478 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.277 -0.446 8.664 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.211 -0.334 7.065 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.286 -1.932 5.201 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.018 -0.703 4.979 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.581 -2.349 5.495 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -12.970 -2.633 7.487 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.310 -3.096 7.930 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -12.197 -1.911 8.918 1.00 0.00 H new ATOM 925 N LYS A 61 -9.202 2.241 8.736 1.00 0.00 N ATOM 926 CA LYS A 61 -9.439 3.418 9.555 1.00 0.00 C ATOM 927 C LYS A 61 -8.348 3.521 10.623 1.00 0.00 C ATOM 928 O LYS A 61 -7.938 4.619 10.992 1.00 0.00 O ATOM 929 CB LYS A 61 -10.858 3.395 10.126 1.00 0.00 C ATOM 930 CG LYS A 61 -11.071 2.169 11.016 1.00 0.00 C ATOM 931 CD LYS A 61 -11.783 1.052 10.249 1.00 0.00 C ATOM 932 CE LYS A 61 -13.205 0.844 10.776 1.00 0.00 C ATOM 933 NZ LYS A 61 -14.148 1.761 10.097 1.00 0.00 N ATOM 0 H LYS A 61 -8.386 1.692 9.005 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.377 4.322 8.949 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.037 4.303 10.702 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.582 3.387 9.311 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.109 1.809 11.381 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.660 2.447 11.890 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -11.817 1.299 9.188 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -11.218 0.125 10.342 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -13.512 -0.189 10.613 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -13.230 1.018 11.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -15.108 1.607 10.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -13.863 2.745 10.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -14.136 1.576 9.074 1.00 0.00 H new ATOM 947 N GLU A 62 -7.909 2.360 11.088 1.00 0.00 N ATOM 948 CA GLU A 62 -6.874 2.306 12.106 1.00 0.00 C ATOM 949 C GLU A 62 -5.634 3.074 11.645 1.00 0.00 C ATOM 950 O GLU A 62 -4.740 3.354 12.441 1.00 0.00 O ATOM 951 CB GLU A 62 -6.523 0.858 12.455 1.00 0.00 C ATOM 952 CG GLU A 62 -6.719 0.591 13.949 1.00 0.00 C ATOM 953 CD GLU A 62 -6.011 -0.698 14.372 1.00 0.00 C ATOM 954 OE1 GLU A 62 -6.472 -1.771 13.928 1.00 0.00 O ATOM 955 OE2 GLU A 62 -5.024 -0.580 15.131 1.00 0.00 O ATOM 0 H GLU A 62 -8.251 1.450 10.778 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.256 2.781 13.009 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.148 0.179 11.875 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.489 0.654 12.178 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.331 1.430 14.526 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.783 0.516 14.172 1.00 0.00 H new ATOM 962 N ILE A 63 -5.621 3.393 10.358 1.00 0.00 N ATOM 963 CA ILE A 63 -4.505 4.123 9.781 1.00 0.00 C ATOM 964 C ILE A 63 -3.675 4.750 10.903 1.00 0.00 C ATOM 965 O ILE A 63 -4.127 5.678 11.569 1.00 0.00 O ATOM 966 CB ILE A 63 -5.005 5.135 8.747 1.00 0.00 C ATOM 967 CG1 ILE A 63 -3.890 6.103 8.344 1.00 0.00 C ATOM 968 CG2 ILE A 63 -6.247 5.869 9.255 1.00 0.00 C ATOM 969 CD1 ILE A 63 -2.602 5.348 8.010 1.00 0.00 C ATOM 0 H ILE A 63 -6.365 3.159 9.700 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.846 3.445 9.238 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.298 4.591 7.849 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.207 6.689 7.481 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.703 6.806 9.156 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.582 6.582 8.502 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.041 5.148 9.451 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -6.005 6.401 10.175 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.826 6.059 7.727 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.275 4.783 8.883 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.786 4.663 7.182 1.00 0.00 H new ATOM 981 N ASP A 64 -2.475 4.215 11.076 1.00 0.00 N ATOM 982 CA ASP A 64 -1.577 4.711 12.106 1.00 0.00 C ATOM 983 C ASP A 64 -0.246 3.963 12.019 1.00 0.00 C ATOM 984 O ASP A 64 0.817 4.552 12.211 1.00 0.00 O ATOM 985 CB ASP A 64 -2.159 4.480 13.502 1.00 0.00 C ATOM 986 CG ASP A 64 -2.088 3.035 14.000 1.00 0.00 C ATOM 987 OD1 ASP A 64 -2.350 2.135 13.173 1.00 0.00 O ATOM 988 OD2 ASP A 64 -1.775 2.863 15.198 1.00 0.00 O ATOM 0 H ASP A 64 -2.104 3.444 10.521 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.438 5.780 11.946 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.631 5.119 14.210 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.202 4.798 13.502 1.00 0.00 H new ATOM 993 N THR A 65 -0.346 2.673 11.729 1.00 0.00 N ATOM 994 CA THR A 65 0.837 1.838 11.615 1.00 0.00 C ATOM 995 C THR A 65 0.469 0.467 11.044 1.00 0.00 C ATOM 996 O THR A 65 -0.682 0.042 11.133 1.00 0.00 O ATOM 997 CB THR A 65 1.499 1.764 12.993 1.00 0.00 C ATOM 998 OG1 THR A 65 2.729 1.086 12.751 1.00 0.00 O ATOM 999 CG2 THR A 65 0.748 0.840 13.954 1.00 0.00 C ATOM 0 H THR A 65 -1.228 2.187 11.570 1.00 0.00 H new ATOM 0 HA THR A 65 1.556 2.265 10.916 1.00 0.00 H new ATOM 0 HB THR A 65 1.557 2.764 13.422 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.224 0.996 13.592 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.259 0.823 14.917 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.270 1.206 14.090 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.719 -0.168 13.541 1.00 0.00 H new ATOM 1007 N LEU A 66 1.468 -0.186 10.468 1.00 0.00 N ATOM 1008 CA LEU A 66 1.264 -1.500 9.882 1.00 0.00 C ATOM 1009 C LEU A 66 2.279 -2.480 10.471 1.00 0.00 C ATOM 1010 O LEU A 66 3.201 -2.914 9.782 1.00 0.00 O ATOM 1011 CB LEU A 66 1.303 -1.417 8.355 1.00 0.00 C ATOM 1012 CG LEU A 66 0.866 -2.676 7.602 1.00 0.00 C ATOM 1013 CD1 LEU A 66 0.605 -2.370 6.126 1.00 0.00 C ATOM 1014 CD2 LEU A 66 1.884 -3.803 7.784 1.00 0.00 C ATOM 0 H LEU A 66 2.421 0.170 10.395 1.00 0.00 H new ATOM 0 HA LEU A 66 0.273 -1.879 10.132 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.667 -0.590 8.040 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.320 -1.170 8.050 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.076 -3.021 8.029 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.296 -3.282 5.615 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.184 -1.622 6.043 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.517 -1.988 5.667 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.550 -4.686 7.239 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.853 -3.484 7.399 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.975 -4.043 8.843 1.00 0.00 H new ATOM 1026 N PRO A 67 2.071 -2.810 11.774 1.00 0.00 N ATOM 1027 CA PRO A 67 2.959 -3.731 12.464 1.00 0.00 C ATOM 1028 C PRO A 67 2.703 -5.173 12.022 1.00 0.00 C ATOM 1029 O PRO A 67 3.590 -6.020 12.109 1.00 0.00 O ATOM 1030 CB PRO A 67 2.687 -3.505 13.942 1.00 0.00 C ATOM 1031 CG PRO A 67 1.339 -2.808 14.017 1.00 0.00 C ATOM 1032 CD PRO A 67 0.990 -2.316 12.622 1.00 0.00 C ATOM 0 HA PRO A 67 4.010 -3.555 12.235 1.00 0.00 H new ATOM 0 HB2 PRO A 67 2.668 -4.450 14.484 1.00 0.00 H new ATOM 0 HB3 PRO A 67 3.468 -2.894 14.394 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.575 -3.494 14.382 1.00 0.00 H new ATOM 0 HG3 PRO A 67 1.379 -1.974 14.717 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.024 -2.701 12.296 1.00 0.00 H new ATOM 0 HD3 PRO A 67 0.927 -1.228 12.590 1.00 0.00 H new ATOM 1040 N TYR A 68 1.484 -5.408 11.558 1.00 0.00 N ATOM 1041 CA TYR A 68 1.099 -6.734 11.103 1.00 0.00 C ATOM 1042 C TYR A 68 2.244 -7.407 10.344 1.00 0.00 C ATOM 1043 O TYR A 68 2.922 -6.767 9.541 1.00 0.00 O ATOM 1044 CB TYR A 68 -0.077 -6.526 10.146 1.00 0.00 C ATOM 1045 CG TYR A 68 -1.189 -5.641 10.712 1.00 0.00 C ATOM 1046 CD1 TYR A 68 -2.176 -6.193 11.504 1.00 0.00 C ATOM 1047 CD2 TYR A 68 -1.207 -4.290 10.430 1.00 0.00 C ATOM 1048 CE1 TYR A 68 -3.222 -5.360 12.036 1.00 0.00 C ATOM 1049 CE2 TYR A 68 -2.254 -3.457 10.962 1.00 0.00 C ATOM 1050 CZ TYR A 68 -3.210 -4.032 11.739 1.00 0.00 C ATOM 1051 OH TYR A 68 -4.199 -3.246 12.241 1.00 0.00 O ATOM 0 H TYR A 68 0.750 -4.703 11.487 1.00 0.00 H new ATOM 0 HA TYR A 68 0.843 -7.371 11.950 1.00 0.00 H new ATOM 0 HB2 TYR A 68 0.293 -6.081 9.223 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -0.497 -7.498 9.886 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -2.163 -7.250 11.724 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -0.436 -3.858 9.810 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -3.999 -5.780 12.657 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -2.279 -2.399 10.748 1.00 0.00 H new ATOM 0 HH TYR A 68 -4.062 -2.321 11.948 1.00 0.00 H new ATOM 1061 N LYS A 69 2.426 -8.689 10.625 1.00 0.00 N ATOM 1062 CA LYS A 69 3.478 -9.455 9.978 1.00 0.00 C ATOM 1063 C LYS A 69 3.147 -10.946 10.073 1.00 0.00 C ATOM 1064 O LYS A 69 2.630 -11.408 11.089 1.00 0.00 O ATOM 1065 CB LYS A 69 4.844 -9.089 10.563 1.00 0.00 C ATOM 1066 CG LYS A 69 4.945 -9.517 12.028 1.00 0.00 C ATOM 1067 CD LYS A 69 6.293 -10.184 12.312 1.00 0.00 C ATOM 1068 CE LYS A 69 6.103 -11.633 12.766 1.00 0.00 C ATOM 1069 NZ LYS A 69 7.413 -12.291 12.964 1.00 0.00 N ATOM 0 H LYS A 69 1.863 -9.217 11.292 1.00 0.00 H new ATOM 0 HA LYS A 69 3.535 -9.207 8.918 1.00 0.00 H new ATOM 0 HB2 LYS A 69 5.632 -9.571 9.984 1.00 0.00 H new ATOM 0 HB3 LYS A 69 5.002 -8.013 10.483 1.00 0.00 H new ATOM 0 HG2 LYS A 69 4.822 -8.648 12.674 1.00 0.00 H new ATOM 0 HG3 LYS A 69 4.136 -10.208 12.266 1.00 0.00 H new ATOM 0 HD2 LYS A 69 6.912 -10.158 11.415 1.00 0.00 H new ATOM 0 HD3 LYS A 69 6.825 -9.625 13.082 1.00 0.00 H new ATOM 0 HE2 LYS A 69 5.533 -11.657 13.695 1.00 0.00 H new ATOM 0 HE3 LYS A 69 5.524 -12.180 12.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 7.265 -13.273 13.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 7.943 -12.285 12.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 7.953 -11.778 13.690 1.00 0.00 H new ATOM 1083 N ASN A 70 3.459 -11.658 9.000 1.00 0.00 N ATOM 1084 CA ASN A 70 3.203 -13.087 8.950 1.00 0.00 C ATOM 1085 C ASN A 70 3.605 -13.625 7.575 1.00 0.00 C ATOM 1086 O ASN A 70 3.788 -12.856 6.632 1.00 0.00 O ATOM 1087 CB ASN A 70 1.717 -13.388 9.159 1.00 0.00 C ATOM 1088 CG ASN A 70 0.866 -12.729 8.072 1.00 0.00 C ATOM 1089 OD1 ASN A 70 0.782 -13.195 6.947 1.00 0.00 O ATOM 1090 ND2 ASN A 70 0.243 -11.624 8.468 1.00 0.00 N ATOM 0 H ASN A 70 3.887 -11.272 8.159 1.00 0.00 H new ATOM 0 HA ASN A 70 3.782 -13.561 9.742 1.00 0.00 H new ATOM 0 HB2 ASN A 70 1.556 -14.466 9.149 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.404 -13.028 10.139 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -0.349 -11.111 7.815 1.00 0.00 H new ATOM 0 HD22 ASN A 70 0.357 -11.289 9.425 1.00 0.00 H new ATOM 1097 N GLY A 71 3.731 -14.942 7.503 1.00 0.00 N ATOM 1098 CA GLY A 71 4.108 -15.591 6.260 1.00 0.00 C ATOM 1099 C GLY A 71 5.450 -15.063 5.750 1.00 0.00 C ATOM 1100 O GLY A 71 6.432 -15.037 6.489 1.00 0.00 O ATOM 0 H GLY A 71 3.578 -15.577 8.286 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.172 -16.668 6.413 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.337 -15.421 5.509 1.00 0.00 H new TER 1104 GLY A 71 HETATM 1105 CA CA A 72 -3.810 6.239 -1.982 1.00 0.00 CA HETATM 1106 CA CA A 73 4.638 -5.587 0.710 1.00 0.00 CA