USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 575 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -151:sc= -0.153 (180deg=-1.03) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.076) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.0028 K(o=-0.0028,f=-0.69) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -161:sc= -0.323 USER MOD Single : A 24 THR OG1 : rot 149:sc= -0.208 USER MOD Single : A 25 MET CE :methyl -125:sc= -3.04 (180deg=-10.2!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -167:sc= -0.0557 (180deg=-0.282) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN :FLIP amide:sc= -0.752 F(o=-2.5!,f=-0.75) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -46:sc= 0.675 USER MOD Single : A 38 ASN : amide:sc= -0.238 X(o=-0.24,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -131:sc= -0.117 (180deg=-1.47!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 166:sc= -0.0759 (180deg=-0.345) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.0215 X(o=-0.022,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.956 X(o=-0.96,f=-0.83) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.483 -2.007 3.690 1.00 0.00 N ATOM 2 CA MET A 1 -1.326 -1.614 2.895 1.00 0.00 C ATOM 3 C MET A 1 -0.671 -2.830 2.248 1.00 0.00 C ATOM 4 O MET A 1 -0.172 -3.719 2.939 1.00 0.00 O ATOM 5 CB MET A 1 -0.308 -0.876 3.767 1.00 0.00 C ATOM 6 CG MET A 1 -0.867 0.373 4.430 1.00 0.00 C ATOM 7 SD MET A 1 -0.675 1.847 3.409 1.00 0.00 S ATOM 8 CE MET A 1 0.934 2.422 3.946 1.00 0.00 C ATOM 0 H1 MET A 1 -3.172 -1.228 3.709 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.924 -2.849 3.268 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.180 -2.224 4.661 1.00 0.00 H new ATOM 0 HA MET A 1 -1.670 -0.946 2.105 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.057 -1.554 4.538 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.550 -0.599 3.154 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.924 0.222 4.648 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.364 0.529 5.384 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.195 3.331 3.404 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.907 2.633 5.015 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.680 1.653 3.746 1.00 0.00 H new ATOM 18 N ASP A 2 -0.678 -2.864 0.920 1.00 0.00 N ATOM 19 CA ASP A 2 -0.084 -3.971 0.180 1.00 0.00 C ATOM 20 C ASP A 2 0.669 -3.464 -1.046 1.00 0.00 C ATOM 21 O ASP A 2 0.086 -2.832 -1.925 1.00 0.00 O ATOM 22 CB ASP A 2 -1.165 -4.966 -0.245 1.00 0.00 C ATOM 23 CG ASP A 2 -1.740 -5.734 0.929 1.00 0.00 C ATOM 24 OD1 ASP A 2 -1.017 -6.581 1.495 1.00 0.00 O ATOM 25 OD2 ASP A 2 -2.911 -5.487 1.283 1.00 0.00 O ATOM 0 H ASP A 2 -1.089 -2.137 0.334 1.00 0.00 H new ATOM 0 HA ASP A 2 0.625 -4.475 0.836 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -1.967 -4.431 -0.753 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -0.745 -5.669 -0.964 1.00 0.00 H new ATOM 30 N GLU A 3 1.967 -3.746 -1.095 1.00 0.00 N ATOM 31 CA GLU A 3 2.799 -3.316 -2.212 1.00 0.00 C ATOM 32 C GLU A 3 2.919 -4.421 -3.258 1.00 0.00 C ATOM 33 O GLU A 3 4.019 -4.763 -3.695 1.00 0.00 O ATOM 34 CB GLU A 3 4.191 -2.915 -1.717 1.00 0.00 C ATOM 35 CG GLU A 3 4.164 -1.952 -0.542 1.00 0.00 C ATOM 36 CD GLU A 3 5.536 -1.737 0.068 1.00 0.00 C ATOM 37 OE1 GLU A 3 6.522 -1.685 -0.696 1.00 0.00 O ATOM 38 OE2 GLU A 3 5.623 -1.622 1.308 1.00 0.00 O ATOM 0 H GLU A 3 2.465 -4.270 -0.375 1.00 0.00 H new ATOM 0 HA GLU A 3 2.323 -2.451 -2.674 1.00 0.00 H new ATOM 0 HB2 GLU A 3 4.737 -3.813 -1.428 1.00 0.00 H new ATOM 0 HB3 GLU A 3 4.742 -2.457 -2.539 1.00 0.00 H new ATOM 0 HG2 GLU A 3 3.763 -0.994 -0.872 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.487 -2.335 0.222 1.00 0.00 H new ATOM 45 N THR A 4 1.779 -4.977 -3.656 1.00 0.00 N ATOM 46 CA THR A 4 1.754 -6.044 -4.649 1.00 0.00 C ATOM 47 C THR A 4 0.611 -5.848 -5.638 1.00 0.00 C ATOM 48 O THR A 4 -0.471 -5.392 -5.269 1.00 0.00 O ATOM 49 CB THR A 4 1.613 -7.426 -3.984 1.00 0.00 C ATOM 50 OG1 THR A 4 2.727 -7.669 -3.118 1.00 0.00 O ATOM 51 CG2 THR A 4 1.530 -8.525 -5.033 1.00 0.00 C ATOM 0 H THR A 4 0.860 -4.706 -3.306 1.00 0.00 H new ATOM 0 HA THR A 4 2.703 -6.002 -5.183 1.00 0.00 H new ATOM 0 HB THR A 4 0.692 -7.432 -3.401 1.00 0.00 H new ATOM 0 HG1 THR A 4 2.629 -8.549 -2.698 1.00 0.00 H new ATOM 0 HG21 THR A 4 1.431 -9.492 -4.540 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.664 -8.353 -5.672 1.00 0.00 H new ATOM 0 HG23 THR A 4 2.436 -8.518 -5.639 1.00 0.00 H new ATOM 59 N GLY A 5 0.857 -6.198 -6.897 1.00 0.00 N ATOM 60 CA GLY A 5 -0.163 -6.054 -7.919 1.00 0.00 C ATOM 61 C GLY A 5 -1.100 -7.245 -7.976 1.00 0.00 C ATOM 62 O GLY A 5 -1.314 -7.826 -9.040 1.00 0.00 O ATOM 0 H GLY A 5 1.744 -6.578 -7.227 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -0.741 -5.150 -7.726 1.00 0.00 H new ATOM 0 HA3 GLY A 5 0.316 -5.925 -8.890 1.00 0.00 H new ATOM 66 N LYS A 6 -1.659 -7.611 -6.827 1.00 0.00 N ATOM 67 CA LYS A 6 -2.577 -8.740 -6.749 1.00 0.00 C ATOM 68 C LYS A 6 -3.793 -8.394 -5.894 1.00 0.00 C ATOM 69 O LYS A 6 -3.673 -8.171 -4.690 1.00 0.00 O ATOM 70 CB LYS A 6 -1.865 -9.964 -6.169 1.00 0.00 C ATOM 71 CG LYS A 6 -2.745 -11.200 -6.092 1.00 0.00 C ATOM 72 CD LYS A 6 -2.660 -12.025 -7.365 1.00 0.00 C ATOM 73 CE LYS A 6 -1.387 -12.858 -7.405 1.00 0.00 C ATOM 74 NZ LYS A 6 -1.457 -14.023 -6.481 1.00 0.00 N ATOM 0 H LYS A 6 -1.492 -7.141 -5.937 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.917 -8.970 -7.759 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.990 -10.188 -6.780 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.503 -9.723 -5.170 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -2.443 -11.810 -5.241 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.779 -10.901 -5.919 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.528 -12.681 -7.433 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.691 -11.364 -8.231 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.216 -13.211 -8.422 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.535 -12.233 -7.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.670 -14.673 -6.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.390 -13.691 -5.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -2.360 -14.521 -6.618 1.00 0.00 H new ATOM 88 N GLU A 7 -4.962 -8.353 -6.526 1.00 0.00 N ATOM 89 CA GLU A 7 -6.199 -8.035 -5.822 1.00 0.00 C ATOM 90 C GLU A 7 -7.266 -9.092 -6.092 1.00 0.00 C ATOM 91 O GLU A 7 -6.993 -10.121 -6.711 1.00 0.00 O ATOM 92 CB GLU A 7 -6.712 -6.657 -6.245 1.00 0.00 C ATOM 93 CG GLU A 7 -5.639 -5.581 -6.245 1.00 0.00 C ATOM 94 CD GLU A 7 -5.134 -5.260 -4.851 1.00 0.00 C ATOM 95 OE1 GLU A 7 -5.730 -5.760 -3.874 1.00 0.00 O ATOM 96 OE2 GLU A 7 -4.143 -4.509 -4.738 1.00 0.00 O ATOM 0 H GLU A 7 -5.078 -8.536 -7.523 1.00 0.00 H new ATOM 0 HA GLU A 7 -5.986 -8.023 -4.753 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.142 -6.730 -7.244 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.516 -6.356 -5.573 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -4.803 -5.907 -6.864 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -6.039 -4.675 -6.700 1.00 0.00 H new ATOM 103 N LEU A 8 -8.481 -8.830 -5.623 1.00 0.00 N ATOM 104 CA LEU A 8 -9.590 -9.759 -5.812 1.00 0.00 C ATOM 105 C LEU A 8 -10.727 -9.098 -6.585 1.00 0.00 C ATOM 106 O LEU A 8 -10.867 -7.875 -6.580 1.00 0.00 O ATOM 107 CB LEU A 8 -10.100 -10.257 -4.459 1.00 0.00 C ATOM 108 CG LEU A 8 -9.190 -11.238 -3.719 1.00 0.00 C ATOM 109 CD1 LEU A 8 -8.095 -10.491 -2.973 1.00 0.00 C ATOM 110 CD2 LEU A 8 -10.000 -12.097 -2.759 1.00 0.00 C ATOM 0 H LEU A 8 -8.723 -7.983 -5.109 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.227 -10.608 -6.391 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.268 -9.393 -3.816 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.068 -10.734 -4.611 1.00 0.00 H new ATOM 0 HG LEU A 8 -8.721 -11.893 -4.453 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.457 -11.205 -2.452 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.496 -9.920 -3.682 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.546 -9.812 -2.249 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -9.336 -12.789 -2.241 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -10.498 -11.458 -2.030 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -10.748 -12.661 -3.317 1.00 0.00 H new ATOM 122 N VAL A 9 -11.539 -9.916 -7.248 1.00 0.00 N ATOM 123 CA VAL A 9 -12.667 -9.411 -8.023 1.00 0.00 C ATOM 124 C VAL A 9 -13.960 -10.118 -7.635 1.00 0.00 C ATOM 125 O VAL A 9 -13.944 -11.268 -7.192 1.00 0.00 O ATOM 126 CB VAL A 9 -12.432 -9.587 -9.535 1.00 0.00 C ATOM 127 CG1 VAL A 9 -11.244 -8.754 -9.991 1.00 0.00 C ATOM 128 CG2 VAL A 9 -12.225 -11.056 -9.874 1.00 0.00 C ATOM 0 H VAL A 9 -11.437 -10.931 -7.264 1.00 0.00 H new ATOM 0 HA VAL A 9 -12.756 -8.348 -7.798 1.00 0.00 H new ATOM 0 HB VAL A 9 -13.317 -9.236 -10.066 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -11.093 -8.891 -11.062 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.437 -7.701 -9.783 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.350 -9.072 -9.455 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -12.060 -11.162 -10.946 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -11.357 -11.435 -9.334 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -13.109 -11.624 -9.585 1.00 0.00 H new ATOM 138 N LEU A 10 -15.081 -9.425 -7.805 1.00 0.00 N ATOM 139 CA LEU A 10 -16.386 -9.986 -7.473 1.00 0.00 C ATOM 140 C LEU A 10 -17.145 -10.381 -8.735 1.00 0.00 C ATOM 141 O LEU A 10 -17.220 -9.613 -9.693 1.00 0.00 O ATOM 142 CB LEU A 10 -17.205 -8.979 -6.664 1.00 0.00 C ATOM 143 CG LEU A 10 -18.696 -9.290 -6.519 1.00 0.00 C ATOM 144 CD1 LEU A 10 -18.897 -10.695 -5.974 1.00 0.00 C ATOM 145 CD2 LEU A 10 -19.368 -8.265 -5.617 1.00 0.00 C ATOM 0 H LEU A 10 -15.112 -8.473 -8.171 1.00 0.00 H new ATOM 0 HA LEU A 10 -16.228 -10.881 -6.872 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -16.771 -8.905 -5.667 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -17.102 -7.999 -7.130 1.00 0.00 H new ATOM 0 HG LEU A 10 -19.157 -9.236 -7.505 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -19.963 -10.899 -5.877 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -18.450 -11.418 -6.657 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -18.422 -10.777 -4.996 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -20.428 -8.501 -5.525 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -18.904 -8.288 -4.631 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -19.254 -7.270 -6.048 1.00 0.00 H new ATOM 157 N ALA A 11 -17.710 -11.585 -8.727 1.00 0.00 N ATOM 158 CA ALA A 11 -18.468 -12.080 -9.870 1.00 0.00 C ATOM 159 C ALA A 11 -19.794 -11.341 -10.011 1.00 0.00 C ATOM 160 O ALA A 11 -20.641 -11.387 -9.118 1.00 0.00 O ATOM 161 CB ALA A 11 -18.707 -13.577 -9.735 1.00 0.00 C ATOM 0 H ALA A 11 -17.657 -12.235 -7.942 1.00 0.00 H new ATOM 0 HA ALA A 11 -17.883 -11.896 -10.771 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -19.274 -13.934 -10.595 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -17.749 -14.096 -9.691 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -19.269 -13.775 -8.822 1.00 0.00 H new ATOM 167 N LEU A 12 -19.968 -10.658 -11.137 1.00 0.00 N ATOM 168 CA LEU A 12 -21.192 -9.908 -11.396 1.00 0.00 C ATOM 169 C LEU A 12 -22.382 -10.847 -11.563 1.00 0.00 C ATOM 170 O LEU A 12 -23.338 -10.799 -10.788 1.00 0.00 O ATOM 171 CB LEU A 12 -21.030 -9.044 -12.647 1.00 0.00 C ATOM 172 CG LEU A 12 -19.989 -7.927 -12.562 1.00 0.00 C ATOM 173 CD1 LEU A 12 -19.743 -7.320 -13.934 1.00 0.00 C ATOM 174 CD2 LEU A 12 -20.434 -6.857 -11.576 1.00 0.00 C ATOM 0 H LEU A 12 -19.277 -10.608 -11.885 1.00 0.00 H new ATOM 0 HA LEU A 12 -21.380 -9.262 -10.538 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -20.768 -9.694 -13.482 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -21.996 -8.596 -12.882 1.00 0.00 H new ATOM 0 HG LEU A 12 -19.053 -8.356 -12.204 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -18.999 -6.527 -13.853 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -19.379 -8.091 -14.613 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -20.674 -6.906 -14.321 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -19.681 -6.070 -11.528 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -21.383 -6.432 -11.904 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -20.557 -7.301 -10.588 1.00 0.00 H new ATOM 186 N TYR A 13 -22.316 -11.701 -12.578 1.00 0.00 N ATOM 187 CA TYR A 13 -23.388 -12.652 -12.847 1.00 0.00 C ATOM 188 C TYR A 13 -22.871 -14.087 -12.788 1.00 0.00 C ATOM 189 O TYR A 13 -21.694 -14.324 -12.516 1.00 0.00 O ATOM 190 CB TYR A 13 -24.009 -12.378 -14.218 1.00 0.00 C ATOM 191 CG TYR A 13 -24.312 -10.918 -14.464 1.00 0.00 C ATOM 192 CD1 TYR A 13 -25.242 -10.240 -13.685 1.00 0.00 C ATOM 193 CD2 TYR A 13 -23.670 -10.216 -15.477 1.00 0.00 C ATOM 194 CE1 TYR A 13 -25.522 -8.905 -13.907 1.00 0.00 C ATOM 195 CE2 TYR A 13 -23.943 -8.881 -15.704 1.00 0.00 C ATOM 196 CZ TYR A 13 -24.870 -8.230 -14.917 1.00 0.00 C ATOM 197 OH TYR A 13 -25.146 -6.901 -15.142 1.00 0.00 O ATOM 0 H TYR A 13 -21.532 -11.754 -13.228 1.00 0.00 H new ATOM 0 HA TYR A 13 -24.151 -12.528 -12.078 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -23.331 -12.735 -14.993 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -24.931 -12.953 -14.312 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -25.755 -10.765 -12.893 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -22.945 -10.723 -16.097 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -26.248 -8.393 -13.292 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -23.433 -8.350 -16.494 1.00 0.00 H new ATOM 0 HH TYR A 13 -24.601 -6.575 -15.888 1.00 0.00 H new ATOM 207 N ASP A 14 -23.760 -15.040 -13.046 1.00 0.00 N ATOM 208 CA ASP A 14 -23.396 -16.452 -13.024 1.00 0.00 C ATOM 209 C ASP A 14 -22.890 -16.903 -14.391 1.00 0.00 C ATOM 210 O ASP A 14 -23.496 -16.602 -15.419 1.00 0.00 O ATOM 211 CB ASP A 14 -24.594 -17.304 -12.604 1.00 0.00 C ATOM 212 CG ASP A 14 -25.707 -17.285 -13.633 1.00 0.00 C ATOM 213 OD1 ASP A 14 -25.994 -16.199 -14.177 1.00 0.00 O ATOM 214 OD2 ASP A 14 -26.293 -18.357 -13.894 1.00 0.00 O ATOM 0 H ASP A 14 -24.738 -14.860 -13.273 1.00 0.00 H new ATOM 0 HA ASP A 14 -22.595 -16.584 -12.297 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -24.267 -18.332 -12.445 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -24.978 -16.941 -11.651 1.00 0.00 H new ATOM 219 N TYR A 15 -21.775 -17.625 -14.394 1.00 0.00 N ATOM 220 CA TYR A 15 -21.185 -18.115 -15.634 1.00 0.00 C ATOM 221 C TYR A 15 -20.746 -19.569 -15.492 1.00 0.00 C ATOM 222 O TYR A 15 -20.724 -20.116 -14.390 1.00 0.00 O ATOM 223 CB TYR A 15 -19.990 -17.247 -16.033 1.00 0.00 C ATOM 224 CG TYR A 15 -19.698 -17.265 -17.517 1.00 0.00 C ATOM 225 CD1 TYR A 15 -20.590 -16.712 -18.427 1.00 0.00 C ATOM 226 CD2 TYR A 15 -18.530 -17.835 -18.008 1.00 0.00 C ATOM 227 CE1 TYR A 15 -20.327 -16.727 -19.783 1.00 0.00 C ATOM 228 CE2 TYR A 15 -18.258 -17.852 -19.362 1.00 0.00 C ATOM 229 CZ TYR A 15 -19.160 -17.297 -20.246 1.00 0.00 C ATOM 230 OH TYR A 15 -18.893 -17.314 -21.596 1.00 0.00 O ATOM 0 H TYR A 15 -21.262 -17.884 -13.552 1.00 0.00 H new ATOM 0 HA TYR A 15 -21.944 -18.058 -16.414 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -20.177 -16.220 -15.720 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -19.107 -17.589 -15.493 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -21.504 -16.263 -18.068 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -17.823 -18.272 -17.319 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -21.032 -16.294 -20.477 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -17.344 -18.297 -19.727 1.00 0.00 H new ATOM 0 HH TYR A 15 -18.030 -17.751 -21.753 1.00 0.00 H new ATOM 240 N GLN A 16 -20.398 -20.188 -16.615 1.00 0.00 N ATOM 241 CA GLN A 16 -19.960 -21.579 -16.616 1.00 0.00 C ATOM 242 C GLN A 16 -18.666 -21.741 -17.406 1.00 0.00 C ATOM 243 O GLN A 16 -18.278 -20.856 -18.169 1.00 0.00 O ATOM 244 CB GLN A 16 -21.048 -22.478 -17.206 1.00 0.00 C ATOM 245 CG GLN A 16 -21.964 -23.092 -16.160 1.00 0.00 C ATOM 246 CD GLN A 16 -23.340 -23.415 -16.706 1.00 0.00 C ATOM 247 OE1 GLN A 16 -23.533 -23.511 -17.919 1.00 0.00 O ATOM 248 NE2 GLN A 16 -24.307 -23.585 -15.813 1.00 0.00 N ATOM 0 H GLN A 16 -20.411 -19.749 -17.536 1.00 0.00 H new ATOM 0 HA GLN A 16 -19.774 -21.876 -15.584 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -21.648 -21.896 -17.906 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -20.577 -23.277 -17.778 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -21.508 -24.003 -15.773 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -22.063 -22.404 -15.320 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -24.103 -23.496 -14.818 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -25.254 -23.804 -16.122 1.00 0.00 H new ATOM 257 N GLU A 17 -18.001 -22.877 -17.218 1.00 0.00 N ATOM 258 CA GLU A 17 -16.750 -23.154 -17.913 1.00 0.00 C ATOM 259 C GLU A 17 -17.003 -23.480 -19.382 1.00 0.00 C ATOM 260 O GLU A 17 -16.950 -24.639 -19.791 1.00 0.00 O ATOM 261 CB GLU A 17 -16.014 -24.315 -17.242 1.00 0.00 C ATOM 262 CG GLU A 17 -16.874 -25.553 -17.051 1.00 0.00 C ATOM 263 CD GLU A 17 -16.944 -25.998 -15.603 1.00 0.00 C ATOM 264 OE1 GLU A 17 -15.875 -26.133 -14.972 1.00 0.00 O ATOM 265 OE2 GLU A 17 -18.067 -26.211 -15.102 1.00 0.00 O ATOM 0 H GLU A 17 -18.308 -23.620 -16.590 1.00 0.00 H new ATOM 0 HA GLU A 17 -16.129 -22.259 -17.859 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -15.143 -24.577 -17.843 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -15.644 -23.987 -16.271 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -17.882 -25.350 -17.414 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -16.474 -26.365 -17.658 1.00 0.00 H new ATOM 272 N LYS A 18 -17.281 -22.447 -20.171 1.00 0.00 N ATOM 273 CA LYS A 18 -17.543 -22.621 -21.595 1.00 0.00 C ATOM 274 C LYS A 18 -16.299 -23.126 -22.320 1.00 0.00 C ATOM 275 O LYS A 18 -16.394 -23.737 -23.384 1.00 0.00 O ATOM 276 CB LYS A 18 -18.006 -21.300 -22.214 1.00 0.00 C ATOM 277 CG LYS A 18 -18.611 -21.456 -23.599 1.00 0.00 C ATOM 278 CD LYS A 18 -17.569 -21.263 -24.688 1.00 0.00 C ATOM 279 CE LYS A 18 -17.525 -19.821 -25.168 1.00 0.00 C ATOM 280 NZ LYS A 18 -16.735 -19.677 -26.422 1.00 0.00 N ATOM 0 H LYS A 18 -17.331 -21.481 -19.848 1.00 0.00 H new ATOM 0 HA LYS A 18 -18.333 -23.364 -21.706 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -18.741 -20.838 -21.555 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.157 -20.618 -22.272 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -19.057 -22.446 -23.693 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -19.414 -20.731 -23.730 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -16.588 -21.552 -24.310 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -17.793 -21.920 -25.528 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -18.541 -19.463 -25.336 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -17.090 -19.193 -24.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -16.729 -18.679 -26.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -15.759 -19.995 -26.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -17.164 -20.256 -27.171 1.00 0.00 H new ATOM 294 N SER A 19 -15.133 -22.867 -21.735 1.00 0.00 N ATOM 295 CA SER A 19 -13.870 -23.293 -22.326 1.00 0.00 C ATOM 296 C SER A 19 -13.136 -24.259 -21.401 1.00 0.00 C ATOM 297 O SER A 19 -13.402 -24.332 -20.201 1.00 0.00 O ATOM 298 CB SER A 19 -12.986 -22.080 -22.622 1.00 0.00 C ATOM 299 OG SER A 19 -11.957 -21.952 -21.656 1.00 0.00 O ATOM 0 H SER A 19 -15.037 -22.364 -20.853 1.00 0.00 H new ATOM 0 HA SER A 19 -14.090 -23.809 -23.260 1.00 0.00 H new ATOM 0 HB2 SER A 19 -12.547 -22.179 -23.615 1.00 0.00 H new ATOM 0 HB3 SER A 19 -13.595 -21.176 -22.632 1.00 0.00 H new ATOM 0 HG SER A 19 -11.602 -21.039 -21.676 1.00 0.00 H new ATOM 305 N PRO A 20 -12.189 -25.018 -21.972 1.00 0.00 N ATOM 306 CA PRO A 20 -11.395 -25.993 -21.217 1.00 0.00 C ATOM 307 C PRO A 20 -10.419 -25.325 -20.255 1.00 0.00 C ATOM 308 O PRO A 20 -9.877 -25.971 -19.358 1.00 0.00 O ATOM 309 CB PRO A 20 -10.636 -26.752 -22.308 1.00 0.00 C ATOM 310 CG PRO A 20 -10.556 -25.797 -23.449 1.00 0.00 C ATOM 311 CD PRO A 20 -11.819 -24.983 -23.396 1.00 0.00 C ATOM 0 HA PRO A 20 -12.019 -26.630 -20.591 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.643 -27.046 -21.968 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.159 -27.665 -22.592 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.676 -25.159 -23.363 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.473 -26.328 -24.397 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -11.654 -23.963 -23.743 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -12.600 -25.412 -24.024 1.00 0.00 H new ATOM 319 N ARG A 21 -10.199 -24.029 -20.447 1.00 0.00 N ATOM 320 CA ARG A 21 -9.287 -23.274 -19.596 1.00 0.00 C ATOM 321 C ARG A 21 -10.055 -22.310 -18.696 1.00 0.00 C ATOM 322 O ARG A 21 -9.488 -21.718 -17.779 1.00 0.00 O ATOM 323 CB ARG A 21 -8.282 -22.500 -20.450 1.00 0.00 C ATOM 324 CG ARG A 21 -8.930 -21.540 -21.434 1.00 0.00 C ATOM 325 CD ARG A 21 -7.911 -20.965 -22.406 1.00 0.00 C ATOM 326 NE ARG A 21 -8.261 -19.612 -22.829 1.00 0.00 N ATOM 327 CZ ARG A 21 -7.608 -18.946 -23.775 1.00 0.00 C ATOM 328 NH1 ARG A 21 -6.578 -19.506 -24.394 1.00 0.00 N ATOM 329 NH2 ARG A 21 -7.986 -17.718 -24.104 1.00 0.00 N ATOM 0 H ARG A 21 -10.640 -23.479 -21.185 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.749 -23.982 -18.965 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.616 -21.940 -19.794 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.664 -23.209 -21.001 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -9.711 -22.059 -21.989 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -9.412 -20.729 -20.888 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.928 -20.955 -21.936 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.840 -21.611 -23.281 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.050 -19.153 -22.373 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.285 -20.451 -24.144 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.079 -18.992 -25.120 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -8.779 -17.284 -23.631 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -7.484 -17.207 -24.830 1.00 0.00 H new ATOM 343 N GLU A 22 -11.348 -22.158 -18.967 1.00 0.00 N ATOM 344 CA GLU A 22 -12.192 -21.265 -18.182 1.00 0.00 C ATOM 345 C GLU A 22 -12.832 -22.009 -17.013 1.00 0.00 C ATOM 346 O GLU A 22 -13.003 -23.227 -17.057 1.00 0.00 O ATOM 347 CB GLU A 22 -13.280 -20.649 -19.065 1.00 0.00 C ATOM 348 CG GLU A 22 -12.889 -19.310 -19.667 1.00 0.00 C ATOM 349 CD GLU A 22 -13.364 -19.153 -21.098 1.00 0.00 C ATOM 350 OE1 GLU A 22 -14.593 -19.122 -21.316 1.00 0.00 O ATOM 351 OE2 GLU A 22 -12.506 -19.060 -22.001 1.00 0.00 O ATOM 0 H GLU A 22 -11.833 -22.641 -19.723 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.563 -20.469 -17.783 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.519 -21.344 -19.870 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.187 -20.521 -18.474 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.306 -18.507 -19.059 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.805 -19.204 -19.634 1.00 0.00 H new ATOM 358 N VAL A 23 -13.182 -21.266 -15.968 1.00 0.00 N ATOM 359 CA VAL A 23 -13.803 -21.854 -14.786 1.00 0.00 C ATOM 360 C VAL A 23 -15.212 -21.311 -14.579 1.00 0.00 C ATOM 361 O VAL A 23 -15.604 -20.317 -15.192 1.00 0.00 O ATOM 362 CB VAL A 23 -12.968 -21.582 -13.520 1.00 0.00 C ATOM 363 CG1 VAL A 23 -11.805 -22.557 -13.428 1.00 0.00 C ATOM 364 CG2 VAL A 23 -12.472 -20.144 -13.508 1.00 0.00 C ATOM 0 H VAL A 23 -13.046 -20.256 -15.915 1.00 0.00 H new ATOM 0 HA VAL A 23 -13.853 -22.930 -14.955 1.00 0.00 H new ATOM 0 HB VAL A 23 -13.604 -21.730 -12.647 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -11.227 -22.350 -12.528 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -12.188 -23.577 -13.387 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.166 -22.445 -14.304 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.884 -19.969 -12.607 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -11.851 -19.966 -14.386 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -13.325 -19.465 -13.522 1.00 0.00 H new ATOM 374 N THR A 24 -15.972 -21.970 -13.710 1.00 0.00 N ATOM 375 CA THR A 24 -17.339 -21.555 -13.421 1.00 0.00 C ATOM 376 C THR A 24 -17.374 -20.506 -12.315 1.00 0.00 C ATOM 377 O THR A 24 -16.745 -20.672 -11.271 1.00 0.00 O ATOM 378 CB THR A 24 -18.214 -22.753 -13.005 1.00 0.00 C ATOM 379 OG1 THR A 24 -18.110 -23.797 -13.979 1.00 0.00 O ATOM 380 CG2 THR A 24 -19.669 -22.334 -12.856 1.00 0.00 C ATOM 0 H THR A 24 -15.664 -22.794 -13.194 1.00 0.00 H new ATOM 0 HA THR A 24 -17.739 -21.124 -14.339 1.00 0.00 H new ATOM 0 HB THR A 24 -17.857 -23.119 -12.042 1.00 0.00 H new ATOM 0 HG1 THR A 24 -18.224 -24.666 -13.540 1.00 0.00 H new ATOM 0 HG21 THR A 24 -20.268 -23.196 -12.562 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.748 -21.560 -12.093 1.00 0.00 H new ATOM 0 HG23 THR A 24 -20.035 -21.946 -13.806 1.00 0.00 H new ATOM 388 N MET A 25 -18.113 -19.427 -12.552 1.00 0.00 N ATOM 389 CA MET A 25 -18.230 -18.352 -11.574 1.00 0.00 C ATOM 390 C MET A 25 -19.677 -18.185 -11.121 1.00 0.00 C ATOM 391 O MET A 25 -20.609 -18.557 -11.835 1.00 0.00 O ATOM 392 CB MET A 25 -17.712 -17.039 -12.163 1.00 0.00 C ATOM 393 CG MET A 25 -16.235 -16.795 -11.900 1.00 0.00 C ATOM 394 SD MET A 25 -15.707 -15.142 -12.388 1.00 0.00 S ATOM 395 CE MET A 25 -15.438 -14.385 -10.787 1.00 0.00 C ATOM 0 H MET A 25 -18.639 -19.274 -13.412 1.00 0.00 H new ATOM 0 HA MET A 25 -17.625 -18.616 -10.707 1.00 0.00 H new ATOM 0 HB2 MET A 25 -17.886 -17.040 -13.239 1.00 0.00 H new ATOM 0 HB3 MET A 25 -18.288 -16.212 -11.748 1.00 0.00 H new ATOM 0 HG2 MET A 25 -16.030 -16.939 -10.839 1.00 0.00 H new ATOM 0 HG3 MET A 25 -15.646 -17.535 -12.442 1.00 0.00 H new ATOM 0 HE1 MET A 25 -16.025 -13.470 -10.714 1.00 0.00 H new ATOM 0 HE2 MET A 25 -15.744 -15.076 -10.002 1.00 0.00 H new ATOM 0 HE3 MET A 25 -14.381 -14.148 -10.670 1.00 0.00 H new ATOM 405 N LYS A 26 -19.858 -17.624 -9.930 1.00 0.00 N ATOM 406 CA LYS A 26 -21.192 -17.406 -9.382 1.00 0.00 C ATOM 407 C LYS A 26 -21.348 -15.972 -8.884 1.00 0.00 C ATOM 408 O LYS A 26 -20.468 -15.440 -8.206 1.00 0.00 O ATOM 409 CB LYS A 26 -21.462 -18.387 -8.239 1.00 0.00 C ATOM 410 CG LYS A 26 -22.917 -18.430 -7.806 1.00 0.00 C ATOM 411 CD LYS A 26 -23.812 -18.966 -8.911 1.00 0.00 C ATOM 412 CE LYS A 26 -25.172 -19.385 -8.373 1.00 0.00 C ATOM 413 NZ LYS A 26 -25.967 -18.216 -7.906 1.00 0.00 N ATOM 0 H LYS A 26 -19.098 -17.312 -9.326 1.00 0.00 H new ATOM 0 HA LYS A 26 -21.917 -17.576 -10.178 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -21.154 -19.386 -8.548 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -20.845 -18.114 -7.383 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -23.016 -19.057 -6.920 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -23.244 -17.429 -7.525 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -23.942 -18.202 -9.678 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -23.330 -19.819 -9.389 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -25.724 -19.912 -9.151 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -25.037 -20.085 -7.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -26.887 -18.543 -7.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -25.452 -17.727 -7.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -26.118 -17.560 -8.699 1.00 0.00 H new ATOM 427 N LYS A 27 -22.473 -15.352 -9.222 1.00 0.00 N ATOM 428 CA LYS A 27 -22.746 -13.982 -8.807 1.00 0.00 C ATOM 429 C LYS A 27 -22.572 -13.825 -7.300 1.00 0.00 C ATOM 430 O LYS A 27 -23.297 -14.434 -6.515 1.00 0.00 O ATOM 431 CB LYS A 27 -24.166 -13.578 -9.212 1.00 0.00 C ATOM 432 CG LYS A 27 -24.612 -12.250 -8.623 1.00 0.00 C ATOM 433 CD LYS A 27 -25.784 -11.665 -9.393 1.00 0.00 C ATOM 434 CE LYS A 27 -26.196 -10.311 -8.836 1.00 0.00 C ATOM 435 NZ LYS A 27 -26.529 -10.385 -7.386 1.00 0.00 N ATOM 0 H LYS A 27 -23.211 -15.777 -9.783 1.00 0.00 H new ATOM 0 HA LYS A 27 -22.032 -13.328 -9.307 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -24.222 -13.521 -10.299 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -24.860 -14.357 -8.897 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -24.894 -12.390 -7.580 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -23.779 -11.547 -8.636 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -25.515 -11.561 -10.444 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -26.630 -12.351 -9.347 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -25.388 -9.595 -8.987 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -27.059 -9.939 -9.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -27.010 -9.510 -7.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -27.155 -11.198 -7.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -25.655 -10.499 -6.834 1.00 0.00 H new ATOM 449 N GLY A 28 -21.607 -13.001 -6.902 1.00 0.00 N ATOM 450 CA GLY A 28 -21.357 -12.778 -5.490 1.00 0.00 C ATOM 451 C GLY A 28 -20.152 -13.548 -4.986 1.00 0.00 C ATOM 452 O GLY A 28 -19.863 -13.548 -3.789 1.00 0.00 O ATOM 0 H GLY A 28 -20.994 -12.484 -7.532 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -21.203 -11.713 -5.315 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -22.237 -13.071 -4.918 1.00 0.00 H new ATOM 456 N ASP A 29 -19.448 -14.206 -5.900 1.00 0.00 N ATOM 457 CA ASP A 29 -18.268 -14.984 -5.542 1.00 0.00 C ATOM 458 C ASP A 29 -16.996 -14.164 -5.737 1.00 0.00 C ATOM 459 O ASP A 29 -16.781 -13.578 -6.799 1.00 0.00 O ATOM 460 CB ASP A 29 -18.199 -16.262 -6.379 1.00 0.00 C ATOM 461 CG ASP A 29 -17.313 -17.320 -5.751 1.00 0.00 C ATOM 462 OD1 ASP A 29 -17.071 -17.240 -4.529 1.00 0.00 O ATOM 463 OD2 ASP A 29 -16.862 -18.227 -6.482 1.00 0.00 O ATOM 0 H ASP A 29 -19.674 -14.216 -6.895 1.00 0.00 H new ATOM 0 HA ASP A 29 -18.347 -15.253 -4.489 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -19.204 -16.664 -6.507 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -17.823 -16.021 -7.373 1.00 0.00 H new ATOM 468 N ILE A 30 -16.158 -14.127 -4.707 1.00 0.00 N ATOM 469 CA ILE A 30 -14.909 -13.378 -4.766 1.00 0.00 C ATOM 470 C ILE A 30 -13.743 -14.284 -5.147 1.00 0.00 C ATOM 471 O ILE A 30 -13.519 -15.323 -4.524 1.00 0.00 O ATOM 472 CB ILE A 30 -14.596 -12.697 -3.420 1.00 0.00 C ATOM 473 CG1 ILE A 30 -15.821 -11.932 -2.915 1.00 0.00 C ATOM 474 CG2 ILE A 30 -13.403 -11.764 -3.563 1.00 0.00 C ATOM 475 CD1 ILE A 30 -16.221 -10.777 -3.805 1.00 0.00 C ATOM 0 H ILE A 30 -16.321 -14.607 -3.822 1.00 0.00 H new ATOM 0 HA ILE A 30 -15.037 -12.612 -5.531 1.00 0.00 H new ATOM 0 HB ILE A 30 -14.344 -13.466 -2.690 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -16.660 -12.622 -2.830 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -15.616 -11.554 -1.913 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -13.194 -11.290 -2.604 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -12.531 -12.335 -3.883 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -13.627 -10.997 -4.305 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -17.096 -10.281 -3.386 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -15.397 -10.066 -3.871 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -16.458 -11.150 -4.801 1.00 0.00 H new ATOM 487 N LEU A 31 -13.001 -13.884 -6.174 1.00 0.00 N ATOM 488 CA LEU A 31 -11.855 -14.659 -6.638 1.00 0.00 C ATOM 489 C LEU A 31 -10.591 -13.805 -6.654 1.00 0.00 C ATOM 490 O LEU A 31 -10.646 -12.590 -6.462 1.00 0.00 O ATOM 491 CB LEU A 31 -12.125 -15.217 -8.037 1.00 0.00 C ATOM 492 CG LEU A 31 -12.846 -16.564 -8.094 1.00 0.00 C ATOM 493 CD1 LEU A 31 -14.112 -16.529 -7.251 1.00 0.00 C ATOM 494 CD2 LEU A 31 -13.172 -16.934 -9.533 1.00 0.00 C ATOM 0 H LEU A 31 -13.172 -13.028 -6.701 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.703 -15.487 -5.946 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -12.717 -14.487 -8.590 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -11.172 -15.315 -8.557 1.00 0.00 H new ATOM 0 HG LEU A 31 -12.183 -17.326 -7.685 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -14.611 -17.496 -7.304 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -13.853 -16.311 -6.215 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -14.780 -15.755 -7.629 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -13.685 -17.896 -9.554 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -13.816 -16.170 -9.968 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.249 -17.002 -10.109 1.00 0.00 H new ATOM 506 N THR A 32 -9.452 -14.449 -6.888 1.00 0.00 N ATOM 507 CA THR A 32 -8.174 -13.749 -6.931 1.00 0.00 C ATOM 508 C THR A 32 -7.802 -13.371 -8.360 1.00 0.00 C ATOM 509 O THR A 32 -7.835 -14.208 -9.263 1.00 0.00 O ATOM 510 CB THR A 32 -7.044 -14.605 -6.328 1.00 0.00 C ATOM 511 OG1 THR A 32 -7.481 -15.198 -5.099 1.00 0.00 O ATOM 512 CG2 THR A 32 -5.802 -13.764 -6.077 1.00 0.00 C ATOM 0 H THR A 32 -9.388 -15.454 -7.051 1.00 0.00 H new ATOM 0 HA THR A 32 -8.290 -12.843 -6.337 1.00 0.00 H new ATOM 0 HB THR A 32 -6.793 -15.390 -7.041 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.758 -15.742 -4.723 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.018 -14.391 -5.651 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.455 -13.338 -7.018 1.00 0.00 H new ATOM 0 HG23 THR A 32 -6.042 -12.960 -5.381 1.00 0.00 H new ATOM 520 N LEU A 33 -7.447 -12.106 -8.559 1.00 0.00 N ATOM 521 CA LEU A 33 -7.067 -11.617 -9.879 1.00 0.00 C ATOM 522 C LEU A 33 -5.644 -12.043 -10.229 1.00 0.00 C ATOM 523 O LEU A 33 -4.720 -11.869 -9.435 1.00 0.00 O ATOM 524 CB LEU A 33 -7.183 -10.093 -9.933 1.00 0.00 C ATOM 525 CG LEU A 33 -7.421 -9.486 -11.316 1.00 0.00 C ATOM 526 CD1 LEU A 33 -6.236 -9.758 -12.230 1.00 0.00 C ATOM 527 CD2 LEU A 33 -8.704 -10.034 -11.925 1.00 0.00 C ATOM 0 H LEU A 33 -7.415 -11.401 -7.823 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.747 -12.053 -10.610 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.000 -9.788 -9.279 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.269 -9.664 -9.523 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.527 -8.407 -11.205 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.424 -9.318 -13.210 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.337 -9.317 -11.801 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.097 -10.834 -12.336 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.858 -9.591 -12.909 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.627 -11.117 -12.022 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.547 -9.787 -11.280 1.00 0.00 H new ATOM 539 N LEU A 34 -5.476 -12.599 -11.424 1.00 0.00 N ATOM 540 CA LEU A 34 -4.165 -13.048 -11.881 1.00 0.00 C ATOM 541 C LEU A 34 -3.773 -12.350 -13.180 1.00 0.00 C ATOM 542 O LEU A 34 -2.703 -11.752 -13.276 1.00 0.00 O ATOM 543 CB LEU A 34 -4.166 -14.564 -12.083 1.00 0.00 C ATOM 544 CG LEU A 34 -4.826 -15.388 -10.978 1.00 0.00 C ATOM 545 CD1 LEU A 34 -4.645 -16.875 -11.240 1.00 0.00 C ATOM 546 CD2 LEU A 34 -4.256 -15.011 -9.618 1.00 0.00 C ATOM 0 H LEU A 34 -6.231 -12.750 -12.094 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.432 -12.790 -11.116 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.671 -14.785 -13.024 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.134 -14.897 -12.189 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.894 -15.168 -10.976 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.121 -17.446 -10.443 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.102 -17.134 -12.195 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.582 -17.112 -11.270 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.738 -15.608 -8.843 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.183 -15.201 -9.608 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.439 -13.953 -9.427 1.00 0.00 H new ATOM 558 N ASN A 35 -4.649 -12.430 -14.176 1.00 0.00 N ATOM 559 CA ASN A 35 -4.395 -11.805 -15.469 1.00 0.00 C ATOM 560 C ASN A 35 -5.477 -10.781 -15.800 1.00 0.00 C ATOM 561 O ASN A 35 -6.657 -11.118 -15.897 1.00 0.00 O ATOM 562 CB ASN A 35 -4.330 -12.867 -16.569 1.00 0.00 C ATOM 563 CG ASN A 35 -3.549 -12.398 -17.781 1.00 0.00 C ATOM 564 OD1 ASN A 35 -4.263 -12.034 -18.840 1.00 0.00 O flip ATOM 565 ND2 ASN A 35 -2.319 -12.362 -17.765 1.00 0.00 N flip ATOM 0 H ASN A 35 -5.541 -12.921 -14.113 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.436 -11.290 -15.413 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.869 -13.771 -16.171 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.342 -13.133 -16.873 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.811 -12.651 -16.929 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.807 -12.043 -18.588 1.00 0.00 H new ATOM 572 N SER A 36 -5.065 -9.529 -15.972 1.00 0.00 N ATOM 573 CA SER A 36 -5.998 -8.454 -16.289 1.00 0.00 C ATOM 574 C SER A 36 -5.484 -7.613 -17.453 1.00 0.00 C ATOM 575 O SER A 36 -5.756 -6.415 -17.538 1.00 0.00 O ATOM 576 CB SER A 36 -6.222 -7.566 -15.063 1.00 0.00 C ATOM 577 OG SER A 36 -5.025 -7.412 -14.320 1.00 0.00 O ATOM 0 H SER A 36 -4.091 -9.234 -15.897 1.00 0.00 H new ATOM 0 HA SER A 36 -6.947 -8.905 -16.581 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.586 -6.588 -15.380 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.994 -8.003 -14.429 1.00 0.00 H new ATOM 0 HG SER A 36 -5.194 -6.839 -13.543 1.00 0.00 H new ATOM 583 N THR A 37 -4.737 -8.250 -18.350 1.00 0.00 N ATOM 584 CA THR A 37 -4.182 -7.562 -19.509 1.00 0.00 C ATOM 585 C THR A 37 -5.068 -7.749 -20.736 1.00 0.00 C ATOM 586 O THR A 37 -4.611 -7.612 -21.869 1.00 0.00 O ATOM 587 CB THR A 37 -2.763 -8.063 -19.834 1.00 0.00 C ATOM 588 OG1 THR A 37 -2.155 -7.214 -20.814 1.00 0.00 O ATOM 589 CG2 THR A 37 -2.799 -9.495 -20.348 1.00 0.00 C ATOM 0 H THR A 37 -4.503 -9.241 -18.296 1.00 0.00 H new ATOM 0 HA THR A 37 -4.136 -6.503 -19.255 1.00 0.00 H new ATOM 0 HB THR A 37 -2.174 -8.037 -18.917 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.791 -7.045 -21.540 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.785 -9.827 -20.571 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.234 -10.144 -19.588 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.403 -9.541 -21.254 1.00 0.00 H new ATOM 597 N ASN A 38 -6.338 -8.062 -20.500 1.00 0.00 N ATOM 598 CA ASN A 38 -7.289 -8.267 -21.587 1.00 0.00 C ATOM 599 C ASN A 38 -8.705 -7.911 -21.146 1.00 0.00 C ATOM 600 O ASN A 38 -9.362 -8.682 -20.446 1.00 0.00 O ATOM 601 CB ASN A 38 -7.242 -9.720 -22.065 1.00 0.00 C ATOM 602 CG ASN A 38 -7.125 -9.829 -23.573 1.00 0.00 C ATOM 603 OD1 ASN A 38 -6.164 -10.397 -24.093 1.00 0.00 O ATOM 604 ND2 ASN A 38 -8.105 -9.283 -24.284 1.00 0.00 N ATOM 0 H ASN A 38 -6.732 -8.179 -19.567 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.009 -7.610 -22.411 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.395 -10.225 -21.600 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.143 -10.238 -21.735 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.080 -9.325 -25.303 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.882 -8.822 -23.811 1.00 0.00 H new ATOM 611 N LYS A 39 -9.170 -6.737 -21.560 1.00 0.00 N ATOM 612 CA LYS A 39 -10.509 -6.277 -21.211 1.00 0.00 C ATOM 613 C LYS A 39 -11.552 -7.340 -21.541 1.00 0.00 C ATOM 614 O LYS A 39 -12.606 -7.407 -20.907 1.00 0.00 O ATOM 615 CB LYS A 39 -10.835 -4.979 -21.953 1.00 0.00 C ATOM 616 CG LYS A 39 -10.497 -5.024 -23.433 1.00 0.00 C ATOM 617 CD LYS A 39 -10.953 -3.762 -24.147 1.00 0.00 C ATOM 618 CE LYS A 39 -9.968 -2.621 -23.946 1.00 0.00 C ATOM 619 NZ LYS A 39 -10.258 -1.850 -22.706 1.00 0.00 N ATOM 0 H LYS A 39 -8.639 -6.086 -22.138 1.00 0.00 H new ATOM 0 HA LYS A 39 -10.533 -6.090 -20.137 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -11.897 -4.761 -21.838 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -10.289 -4.158 -21.489 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -9.421 -5.145 -23.558 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -10.971 -5.893 -23.889 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -11.064 -3.965 -25.212 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -11.934 -3.467 -23.775 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.955 -3.020 -23.897 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.006 -1.953 -24.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.270 -0.833 -22.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.185 -2.134 -22.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.522 -2.043 -21.997 1.00 0.00 H new ATOM 633 N ASP A 40 -11.252 -8.168 -22.535 1.00 0.00 N ATOM 634 CA ASP A 40 -12.164 -9.230 -22.947 1.00 0.00 C ATOM 635 C ASP A 40 -12.356 -10.246 -21.827 1.00 0.00 C ATOM 636 O ASP A 40 -13.398 -10.273 -21.172 1.00 0.00 O ATOM 637 CB ASP A 40 -11.634 -9.928 -24.201 1.00 0.00 C ATOM 638 CG ASP A 40 -11.515 -8.985 -25.382 1.00 0.00 C ATOM 639 OD1 ASP A 40 -12.029 -7.851 -25.290 1.00 0.00 O ATOM 640 OD2 ASP A 40 -10.906 -9.381 -26.398 1.00 0.00 O ATOM 0 H ASP A 40 -10.385 -8.125 -23.071 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.130 -8.779 -23.173 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.657 -10.362 -23.986 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.298 -10.752 -24.463 1.00 0.00 H new ATOM 645 N TRP A 41 -11.346 -11.082 -21.613 1.00 0.00 N ATOM 646 CA TRP A 41 -11.405 -12.101 -20.572 1.00 0.00 C ATOM 647 C TRP A 41 -10.322 -11.872 -19.523 1.00 0.00 C ATOM 648 O TRP A 41 -9.263 -11.321 -19.822 1.00 0.00 O ATOM 649 CB TRP A 41 -11.252 -13.494 -21.184 1.00 0.00 C ATOM 650 CG TRP A 41 -12.171 -13.738 -22.343 1.00 0.00 C ATOM 651 CD1 TRP A 41 -12.027 -13.265 -23.616 1.00 0.00 C ATOM 652 CD2 TRP A 41 -13.375 -14.512 -22.334 1.00 0.00 C ATOM 653 NE1 TRP A 41 -13.070 -13.698 -24.399 1.00 0.00 N ATOM 654 CE2 TRP A 41 -13.910 -14.465 -23.637 1.00 0.00 C ATOM 655 CE3 TRP A 41 -14.053 -15.241 -21.354 1.00 0.00 C ATOM 656 CZ2 TRP A 41 -15.090 -15.119 -23.980 1.00 0.00 C ATOM 657 CZ3 TRP A 41 -15.224 -15.889 -21.696 1.00 0.00 C ATOM 658 CH2 TRP A 41 -15.733 -15.826 -23.000 1.00 0.00 C ATOM 0 H TRP A 41 -10.477 -11.074 -22.147 1.00 0.00 H new ATOM 0 HA TRP A 41 -12.377 -12.030 -20.085 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -10.221 -13.627 -21.512 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -11.441 -14.243 -20.415 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -11.213 -12.642 -23.957 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -13.198 -13.483 -25.388 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -13.668 -15.297 -20.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -15.484 -15.070 -24.984 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -15.756 -16.454 -20.945 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -16.650 -16.345 -23.236 1.00 0.00 H new ATOM 669 N TRP A 42 -10.595 -12.298 -18.295 1.00 0.00 N ATOM 670 CA TRP A 42 -9.642 -12.139 -17.202 1.00 0.00 C ATOM 671 C TRP A 42 -9.358 -13.477 -16.528 1.00 0.00 C ATOM 672 O TRP A 42 -10.243 -14.324 -16.408 1.00 0.00 O ATOM 673 CB TRP A 42 -10.176 -11.140 -16.174 1.00 0.00 C ATOM 674 CG TRP A 42 -10.084 -9.714 -16.628 1.00 0.00 C ATOM 675 CD1 TRP A 42 -9.288 -9.220 -17.622 1.00 0.00 C ATOM 676 CD2 TRP A 42 -10.814 -8.599 -16.104 1.00 0.00 C ATOM 677 NE1 TRP A 42 -9.478 -7.865 -17.747 1.00 0.00 N ATOM 678 CE2 TRP A 42 -10.410 -7.460 -16.828 1.00 0.00 C ATOM 679 CE3 TRP A 42 -11.770 -8.453 -15.096 1.00 0.00 C ATOM 680 CZ2 TRP A 42 -10.929 -6.194 -16.573 1.00 0.00 C ATOM 681 CZ3 TRP A 42 -12.284 -7.195 -14.844 1.00 0.00 C ATOM 682 CH2 TRP A 42 -11.864 -6.079 -15.580 1.00 0.00 C ATOM 0 H TRP A 42 -11.467 -12.756 -18.031 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.710 -11.758 -17.619 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.217 -11.377 -15.954 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.619 -11.254 -15.244 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.609 -9.808 -18.222 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -9.002 -7.259 -18.415 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -12.101 -9.307 -14.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -10.605 -5.333 -17.139 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -13.023 -7.070 -14.066 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.286 -5.110 -15.360 1.00 0.00 H new ATOM 693 N LYS A 43 -8.117 -13.661 -16.089 1.00 0.00 N ATOM 694 CA LYS A 43 -7.716 -14.896 -15.426 1.00 0.00 C ATOM 695 C LYS A 43 -7.803 -14.752 -13.910 1.00 0.00 C ATOM 696 O LYS A 43 -7.054 -13.986 -13.305 1.00 0.00 O ATOM 697 CB LYS A 43 -6.290 -15.277 -15.831 1.00 0.00 C ATOM 698 CG LYS A 43 -5.986 -16.756 -15.668 1.00 0.00 C ATOM 699 CD LYS A 43 -4.503 -17.042 -15.834 1.00 0.00 C ATOM 700 CE LYS A 43 -4.209 -18.531 -15.743 1.00 0.00 C ATOM 701 NZ LYS A 43 -2.747 -18.812 -15.788 1.00 0.00 N ATOM 0 H LYS A 43 -7.372 -12.970 -16.181 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.399 -15.685 -15.739 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.129 -14.994 -16.871 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.585 -14.701 -15.231 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.314 -17.089 -14.683 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.552 -17.328 -16.403 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.164 -16.661 -16.797 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.941 -16.511 -15.066 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.627 -18.928 -14.818 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.704 -19.050 -16.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.589 -19.838 -15.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.352 -18.456 -16.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.278 -18.338 -14.990 1.00 0.00 H new ATOM 715 N VAL A 44 -8.722 -15.496 -13.301 1.00 0.00 N ATOM 716 CA VAL A 44 -8.905 -15.453 -11.856 1.00 0.00 C ATOM 717 C VAL A 44 -8.453 -16.756 -11.206 1.00 0.00 C ATOM 718 O VAL A 44 -8.093 -17.711 -11.893 1.00 0.00 O ATOM 719 CB VAL A 44 -10.377 -15.190 -11.484 1.00 0.00 C ATOM 720 CG1 VAL A 44 -10.827 -13.836 -12.010 1.00 0.00 C ATOM 721 CG2 VAL A 44 -11.268 -16.302 -12.019 1.00 0.00 C ATOM 0 H VAL A 44 -9.351 -16.135 -13.787 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.292 -14.632 -11.483 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.463 -15.177 -10.397 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -11.869 -13.668 -11.738 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.207 -13.052 -11.575 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -10.728 -13.816 -13.095 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.304 -16.100 -11.747 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -11.180 -16.348 -13.104 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.959 -17.255 -11.589 1.00 0.00 H new ATOM 731 N GLU A 45 -8.475 -16.786 -9.877 1.00 0.00 N ATOM 732 CA GLU A 45 -8.067 -17.973 -9.134 1.00 0.00 C ATOM 733 C GLU A 45 -9.083 -18.310 -8.046 1.00 0.00 C ATOM 734 O GLU A 45 -9.562 -17.429 -7.333 1.00 0.00 O ATOM 735 CB GLU A 45 -6.686 -17.760 -8.509 1.00 0.00 C ATOM 736 CG GLU A 45 -5.870 -19.036 -8.388 1.00 0.00 C ATOM 737 CD GLU A 45 -4.461 -18.782 -7.889 1.00 0.00 C ATOM 738 OE1 GLU A 45 -4.316 -18.231 -6.777 1.00 0.00 O ATOM 739 OE2 GLU A 45 -3.503 -19.133 -8.610 1.00 0.00 O ATOM 0 H GLU A 45 -8.771 -16.003 -9.294 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.018 -18.809 -9.832 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.131 -17.040 -9.110 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.808 -17.321 -7.519 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.374 -19.722 -7.708 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.824 -19.527 -9.360 1.00 0.00 H new ATOM 746 N VAL A 46 -9.407 -19.594 -7.926 1.00 0.00 N ATOM 747 CA VAL A 46 -10.365 -20.049 -6.926 1.00 0.00 C ATOM 748 C VAL A 46 -9.709 -20.996 -5.927 1.00 0.00 C ATOM 749 O VAL A 46 -8.537 -21.348 -6.065 1.00 0.00 O ATOM 750 CB VAL A 46 -11.564 -20.761 -7.580 1.00 0.00 C ATOM 751 CG1 VAL A 46 -12.262 -19.836 -8.565 1.00 0.00 C ATOM 752 CG2 VAL A 46 -11.113 -22.042 -8.267 1.00 0.00 C ATOM 0 H VAL A 46 -9.020 -20.337 -8.509 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.720 -19.162 -6.402 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.277 -21.026 -6.799 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.106 -20.356 -9.017 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -12.620 -18.950 -8.041 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -11.560 -19.538 -9.344 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -11.973 -22.532 -8.724 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -10.380 -21.803 -9.038 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.663 -22.710 -7.532 1.00 0.00 H new ATOM 762 N LYS A 47 -10.472 -21.408 -4.920 1.00 0.00 N ATOM 763 CA LYS A 47 -9.967 -22.316 -3.898 1.00 0.00 C ATOM 764 C LYS A 47 -10.760 -23.619 -3.888 1.00 0.00 C ATOM 765 O LYS A 47 -11.983 -23.614 -4.024 1.00 0.00 O ATOM 766 CB LYS A 47 -10.036 -21.655 -2.520 1.00 0.00 C ATOM 767 CG LYS A 47 -11.454 -21.422 -2.027 1.00 0.00 C ATOM 768 CD LYS A 47 -11.472 -20.956 -0.581 1.00 0.00 C ATOM 769 CE LYS A 47 -10.702 -19.656 -0.404 1.00 0.00 C ATOM 770 NZ LYS A 47 -11.142 -18.615 -1.374 1.00 0.00 N ATOM 0 H LYS A 47 -11.444 -21.127 -4.790 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.928 -22.545 -4.133 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -9.508 -22.280 -1.800 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -9.512 -20.700 -2.558 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.941 -20.677 -2.656 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.029 -22.343 -2.120 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -12.503 -20.817 -0.255 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -11.038 -21.727 0.056 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -10.840 -19.287 0.612 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.636 -19.845 -0.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -10.776 -17.688 -1.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.776 -18.845 -2.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -12.181 -18.584 -1.403 1.00 0.00 H new ATOM 784 N ALA A 48 -10.055 -24.734 -3.726 1.00 0.00 N ATOM 785 CA ALA A 48 -10.693 -26.044 -3.695 1.00 0.00 C ATOM 786 C ALA A 48 -10.900 -26.521 -2.262 1.00 0.00 C ATOM 787 O ALA A 48 -10.535 -25.832 -1.308 1.00 0.00 O ATOM 788 CB ALA A 48 -9.864 -27.054 -4.475 1.00 0.00 C ATOM 0 H ALA A 48 -9.041 -24.756 -3.614 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.672 -25.954 -4.165 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -10.353 -28.028 -4.443 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.773 -26.727 -5.511 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.872 -27.131 -4.030 1.00 0.00 H new ATOM 794 N THR A 49 -11.488 -27.704 -2.115 1.00 0.00 N ATOM 795 CA THR A 49 -11.745 -28.271 -0.797 1.00 0.00 C ATOM 796 C THR A 49 -11.600 -29.789 -0.815 1.00 0.00 C ATOM 797 O THR A 49 -12.148 -30.464 -1.686 1.00 0.00 O ATOM 798 CB THR A 49 -13.155 -27.907 -0.294 1.00 0.00 C ATOM 799 OG1 THR A 49 -13.387 -28.504 0.987 1.00 0.00 O ATOM 800 CG2 THR A 49 -14.218 -28.374 -1.277 1.00 0.00 C ATOM 0 H THR A 49 -11.795 -28.288 -2.893 1.00 0.00 H new ATOM 0 HA THR A 49 -11.005 -27.845 -0.119 1.00 0.00 H new ATOM 0 HB THR A 49 -13.217 -26.822 -0.206 1.00 0.00 H new ATOM 0 HG1 THR A 49 -14.285 -28.267 1.301 1.00 0.00 H new ATOM 0 HG21 THR A 49 -15.205 -28.106 -0.900 1.00 0.00 H new ATOM 0 HG22 THR A 49 -14.056 -27.895 -2.243 1.00 0.00 H new ATOM 0 HG23 THR A 49 -14.156 -29.456 -1.393 1.00 0.00 H new ATOM 808 N ALA A 50 -10.860 -30.319 0.153 1.00 0.00 N ATOM 809 CA ALA A 50 -10.646 -31.757 0.250 1.00 0.00 C ATOM 810 C ALA A 50 -9.808 -32.106 1.476 1.00 0.00 C ATOM 811 O ALA A 50 -8.805 -31.454 1.759 1.00 0.00 O ATOM 812 CB ALA A 50 -9.977 -32.278 -1.014 1.00 0.00 C ATOM 0 H ALA A 50 -10.399 -29.774 0.881 1.00 0.00 H new ATOM 0 HA ALA A 50 -11.619 -32.237 0.358 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -9.823 -33.354 -0.927 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.613 -32.070 -1.874 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.015 -31.784 -1.147 1.00 0.00 H new ATOM 818 N ASN A 51 -10.228 -33.139 2.199 1.00 0.00 N ATOM 819 CA ASN A 51 -9.517 -33.573 3.396 1.00 0.00 C ATOM 820 C ASN A 51 -9.323 -32.411 4.365 1.00 0.00 C ATOM 821 O ASN A 51 -8.244 -32.236 4.932 1.00 0.00 O ATOM 822 CB ASN A 51 -8.159 -34.170 3.019 1.00 0.00 C ATOM 823 CG ASN A 51 -8.285 -35.312 2.028 1.00 0.00 C ATOM 824 OD1 ASN A 51 -8.381 -36.476 2.415 1.00 0.00 O ATOM 825 ND2 ASN A 51 -8.284 -34.981 0.742 1.00 0.00 N ATOM 0 H ASN A 51 -11.057 -33.691 1.977 1.00 0.00 H new ATOM 0 HA ASN A 51 -10.118 -34.337 3.889 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -7.528 -33.390 2.592 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -7.659 -34.527 3.920 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -8.365 -35.706 0.029 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -8.202 -34.002 0.467 1.00 0.00 H new ATOM 832 N ASP A 52 -10.374 -31.621 4.551 1.00 0.00 N ATOM 833 CA ASP A 52 -10.321 -30.477 5.453 1.00 0.00 C ATOM 834 C ASP A 52 -9.186 -29.533 5.067 1.00 0.00 C ATOM 835 O ASP A 52 -8.658 -28.803 5.906 1.00 0.00 O ATOM 836 CB ASP A 52 -10.140 -30.947 6.897 1.00 0.00 C ATOM 837 CG ASP A 52 -11.072 -32.088 7.255 1.00 0.00 C ATOM 838 OD1 ASP A 52 -12.297 -31.853 7.328 1.00 0.00 O ATOM 839 OD2 ASP A 52 -10.577 -33.215 7.462 1.00 0.00 O ATOM 0 H ASP A 52 -11.274 -31.752 4.089 1.00 0.00 H new ATOM 0 HA ASP A 52 -11.264 -29.936 5.370 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.108 -31.264 7.046 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.317 -30.111 7.573 1.00 0.00 H new ATOM 844 N LYS A 53 -8.814 -29.554 3.791 1.00 0.00 N ATOM 845 CA LYS A 53 -7.742 -28.700 3.292 1.00 0.00 C ATOM 846 C LYS A 53 -8.201 -27.909 2.072 1.00 0.00 C ATOM 847 O LYS A 53 -8.972 -28.405 1.250 1.00 0.00 O ATOM 848 CB LYS A 53 -6.516 -29.543 2.935 1.00 0.00 C ATOM 849 CG LYS A 53 -5.550 -29.733 4.092 1.00 0.00 C ATOM 850 CD LYS A 53 -4.660 -30.947 3.883 1.00 0.00 C ATOM 851 CE LYS A 53 -4.042 -31.417 5.190 1.00 0.00 C ATOM 852 NZ LYS A 53 -3.060 -30.433 5.725 1.00 0.00 N ATOM 0 H LYS A 53 -9.239 -30.153 3.084 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.474 -27.996 4.080 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.847 -30.521 2.585 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.989 -29.070 2.107 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.932 -28.842 4.201 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.110 -29.847 5.020 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.244 -31.756 3.444 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.870 -30.702 3.173 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.829 -31.581 5.926 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.547 -32.376 5.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.661 -30.790 6.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.295 -30.295 5.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.537 -29.525 5.898 1.00 0.00 H new ATOM 866 N THR A 54 -7.721 -26.674 1.958 1.00 0.00 N ATOM 867 CA THR A 54 -8.081 -25.814 0.838 1.00 0.00 C ATOM 868 C THR A 54 -6.943 -25.720 -0.171 1.00 0.00 C ATOM 869 O THR A 54 -5.798 -25.451 0.192 1.00 0.00 O ATOM 870 CB THR A 54 -8.448 -24.395 1.315 1.00 0.00 C ATOM 871 OG1 THR A 54 -9.033 -24.453 2.620 1.00 0.00 O ATOM 872 CG2 THR A 54 -9.417 -23.733 0.347 1.00 0.00 C ATOM 0 H THR A 54 -7.082 -26.247 2.628 1.00 0.00 H new ATOM 0 HA THR A 54 -8.950 -26.265 0.360 1.00 0.00 H new ATOM 0 HB THR A 54 -7.535 -23.801 1.353 1.00 0.00 H new ATOM 0 HG1 THR A 54 -9.262 -23.547 2.917 1.00 0.00 H new ATOM 0 HG21 THR A 54 -9.662 -22.733 0.704 1.00 0.00 H new ATOM 0 HG22 THR A 54 -8.956 -23.664 -0.639 1.00 0.00 H new ATOM 0 HG23 THR A 54 -10.328 -24.328 0.281 1.00 0.00 H new ATOM 880 N TYR A 55 -7.265 -25.944 -1.441 1.00 0.00 N ATOM 881 CA TYR A 55 -6.268 -25.886 -2.503 1.00 0.00 C ATOM 882 C TYR A 55 -6.440 -24.624 -3.343 1.00 0.00 C ATOM 883 O TYR A 55 -7.340 -23.821 -3.099 1.00 0.00 O ATOM 884 CB TYR A 55 -6.371 -27.124 -3.396 1.00 0.00 C ATOM 885 CG TYR A 55 -6.211 -28.426 -2.645 1.00 0.00 C ATOM 886 CD1 TYR A 55 -7.283 -28.999 -1.971 1.00 0.00 C ATOM 887 CD2 TYR A 55 -4.988 -29.084 -2.608 1.00 0.00 C ATOM 888 CE1 TYR A 55 -7.142 -30.189 -1.283 1.00 0.00 C ATOM 889 CE2 TYR A 55 -4.838 -30.275 -1.924 1.00 0.00 C ATOM 890 CZ TYR A 55 -5.917 -30.823 -1.263 1.00 0.00 C ATOM 891 OH TYR A 55 -5.771 -32.008 -0.579 1.00 0.00 O ATOM 0 H TYR A 55 -8.208 -26.167 -1.759 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.282 -25.861 -2.040 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -7.338 -27.120 -3.898 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.609 -27.066 -4.173 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -8.243 -28.505 -1.985 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.140 -28.657 -3.123 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.985 -30.620 -0.764 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.880 -30.774 -1.907 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.847 -32.324 -0.665 1.00 0.00 H new ATOM 901 N GLU A 56 -5.570 -24.458 -4.335 1.00 0.00 N ATOM 902 CA GLU A 56 -5.626 -23.294 -5.212 1.00 0.00 C ATOM 903 C GLU A 56 -5.671 -23.718 -6.677 1.00 0.00 C ATOM 904 O GLU A 56 -4.915 -24.590 -7.106 1.00 0.00 O ATOM 905 CB GLU A 56 -4.417 -22.388 -4.969 1.00 0.00 C ATOM 906 CG GLU A 56 -3.084 -23.111 -5.066 1.00 0.00 C ATOM 907 CD GLU A 56 -1.906 -22.158 -5.129 1.00 0.00 C ATOM 908 OE1 GLU A 56 -2.135 -20.931 -5.098 1.00 0.00 O ATOM 909 OE2 GLU A 56 -0.757 -22.640 -5.209 1.00 0.00 O ATOM 0 H GLU A 56 -4.819 -25.114 -4.551 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.538 -22.742 -4.984 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.433 -21.574 -5.694 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.505 -21.937 -3.981 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.968 -23.769 -4.205 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.082 -23.744 -5.953 1.00 0.00 H new ATOM 916 N ARG A 57 -6.564 -23.096 -7.439 1.00 0.00 N ATOM 917 CA ARG A 57 -6.710 -23.409 -8.856 1.00 0.00 C ATOM 918 C ARG A 57 -6.946 -22.141 -9.672 1.00 0.00 C ATOM 919 O ARG A 57 -7.602 -21.208 -9.210 1.00 0.00 O ATOM 920 CB ARG A 57 -7.868 -24.386 -9.067 1.00 0.00 C ATOM 921 CG ARG A 57 -8.189 -24.644 -10.530 1.00 0.00 C ATOM 922 CD ARG A 57 -8.938 -25.955 -10.714 1.00 0.00 C ATOM 923 NE ARG A 57 -10.306 -25.743 -11.178 1.00 0.00 N ATOM 924 CZ ARG A 57 -11.313 -25.416 -10.374 1.00 0.00 C ATOM 925 NH1 ARG A 57 -11.105 -25.264 -9.074 1.00 0.00 N ATOM 926 NH2 ARG A 57 -12.530 -25.240 -10.872 1.00 0.00 N ATOM 0 H ARG A 57 -7.198 -22.372 -7.099 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.784 -23.873 -9.197 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.626 -25.333 -8.585 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.757 -23.995 -8.572 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.789 -23.823 -10.922 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.265 -24.668 -11.108 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.405 -26.580 -11.431 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.956 -26.498 -9.769 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.500 -25.852 -12.174 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.170 -25.398 -8.688 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.879 -25.013 -8.460 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.693 -25.356 -11.872 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.302 -24.989 -10.255 1.00 0.00 H new ATOM 940 N GLN A 58 -6.405 -22.116 -10.885 1.00 0.00 N ATOM 941 CA GLN A 58 -6.556 -20.963 -11.765 1.00 0.00 C ATOM 942 C GLN A 58 -7.564 -21.250 -12.872 1.00 0.00 C ATOM 943 O GLN A 58 -7.797 -22.404 -13.229 1.00 0.00 O ATOM 944 CB GLN A 58 -5.206 -20.580 -12.374 1.00 0.00 C ATOM 945 CG GLN A 58 -4.504 -21.734 -13.071 1.00 0.00 C ATOM 946 CD GLN A 58 -3.609 -22.523 -12.135 1.00 0.00 C ATOM 947 OE1 GLN A 58 -3.738 -23.741 -12.015 1.00 0.00 O ATOM 948 NE2 GLN A 58 -2.695 -21.830 -11.466 1.00 0.00 N ATOM 0 H GLN A 58 -5.858 -22.881 -11.281 1.00 0.00 H new ATOM 0 HA GLN A 58 -6.928 -20.129 -11.169 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.356 -19.771 -13.089 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.558 -20.194 -11.587 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -5.250 -22.401 -13.502 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.908 -21.346 -13.897 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.624 -20.821 -11.597 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.064 -22.307 -10.822 1.00 0.00 H new ATOM 957 N GLY A 59 -8.160 -20.192 -13.413 1.00 0.00 N ATOM 958 CA GLY A 59 -9.137 -20.352 -14.474 1.00 0.00 C ATOM 959 C GLY A 59 -9.516 -19.033 -15.117 1.00 0.00 C ATOM 960 O GLY A 59 -9.568 -18.000 -14.449 1.00 0.00 O ATOM 0 H GLY A 59 -7.984 -19.227 -13.135 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.736 -21.022 -15.235 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -10.032 -20.827 -14.071 1.00 0.00 H new ATOM 964 N PHE A 60 -9.779 -19.065 -16.419 1.00 0.00 N ATOM 965 CA PHE A 60 -10.152 -17.863 -17.154 1.00 0.00 C ATOM 966 C PHE A 60 -11.658 -17.627 -17.084 1.00 0.00 C ATOM 967 O PHE A 60 -12.437 -18.564 -16.902 1.00 0.00 O ATOM 968 CB PHE A 60 -9.710 -17.974 -18.615 1.00 0.00 C ATOM 969 CG PHE A 60 -8.237 -17.759 -18.813 1.00 0.00 C ATOM 970 CD1 PHE A 60 -7.354 -18.826 -18.754 1.00 0.00 C ATOM 971 CD2 PHE A 60 -7.735 -16.492 -19.058 1.00 0.00 C ATOM 972 CE1 PHE A 60 -5.998 -18.632 -18.936 1.00 0.00 C ATOM 973 CE2 PHE A 60 -6.380 -16.292 -19.242 1.00 0.00 C ATOM 974 CZ PHE A 60 -5.510 -17.363 -19.179 1.00 0.00 C ATOM 0 H PHE A 60 -9.741 -19.911 -16.987 1.00 0.00 H new ATOM 0 HA PHE A 60 -9.647 -17.015 -16.692 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -9.979 -18.960 -18.994 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.259 -17.243 -19.209 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -7.730 -19.820 -18.564 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -8.410 -15.650 -19.106 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -5.321 -19.472 -18.888 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -6.002 -15.299 -19.435 1.00 0.00 H new ATOM 0 HZ PHE A 60 -4.450 -17.208 -19.319 1.00 0.00 H new ATOM 984 N VAL A 61 -12.062 -16.369 -17.229 1.00 0.00 N ATOM 985 CA VAL A 61 -13.474 -16.009 -17.182 1.00 0.00 C ATOM 986 C VAL A 61 -13.733 -14.702 -17.923 1.00 0.00 C ATOM 987 O VAL A 61 -12.838 -13.877 -18.108 1.00 0.00 O ATOM 988 CB VAL A 61 -13.971 -15.871 -15.731 1.00 0.00 C ATOM 989 CG1 VAL A 61 -14.295 -17.237 -15.145 1.00 0.00 C ATOM 990 CG2 VAL A 61 -12.936 -15.149 -14.881 1.00 0.00 C ATOM 0 H VAL A 61 -11.431 -15.582 -17.380 1.00 0.00 H new ATOM 0 HA VAL A 61 -14.022 -16.815 -17.670 1.00 0.00 H new ATOM 0 HB VAL A 61 -14.885 -15.277 -15.733 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -14.645 -17.119 -14.119 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -15.073 -17.713 -15.741 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -13.400 -17.858 -15.154 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -13.303 -15.060 -13.859 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -12.004 -15.714 -14.884 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -12.758 -14.155 -15.291 1.00 0.00 H new ATOM 1000 N PRO A 62 -14.987 -14.506 -18.357 1.00 0.00 N ATOM 1001 CA PRO A 62 -15.393 -13.299 -19.084 1.00 0.00 C ATOM 1002 C PRO A 62 -15.404 -12.062 -18.193 1.00 0.00 C ATOM 1003 O PRO A 62 -16.034 -12.053 -17.135 1.00 0.00 O ATOM 1004 CB PRO A 62 -16.811 -13.631 -19.556 1.00 0.00 C ATOM 1005 CG PRO A 62 -17.307 -14.644 -18.583 1.00 0.00 C ATOM 1006 CD PRO A 62 -16.104 -15.447 -18.171 1.00 0.00 C ATOM 0 HA PRO A 62 -14.704 -13.059 -19.894 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -17.444 -12.744 -19.561 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -16.808 -14.026 -20.572 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -17.769 -14.163 -17.721 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -18.065 -15.282 -19.037 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -16.179 -15.782 -17.137 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -15.986 -16.338 -18.787 1.00 0.00 H new ATOM 1014 N ALA A 63 -14.704 -11.020 -18.627 1.00 0.00 N ATOM 1015 CA ALA A 63 -14.635 -9.776 -17.870 1.00 0.00 C ATOM 1016 C ALA A 63 -16.010 -9.127 -17.754 1.00 0.00 C ATOM 1017 O ALA A 63 -16.221 -8.240 -16.928 1.00 0.00 O ATOM 1018 CB ALA A 63 -13.649 -8.816 -18.519 1.00 0.00 C ATOM 0 H ALA A 63 -14.176 -11.012 -19.500 1.00 0.00 H new ATOM 0 HA ALA A 63 -14.287 -10.011 -16.864 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -13.608 -7.892 -17.943 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.659 -9.272 -18.544 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -13.972 -8.595 -19.536 1.00 0.00 H new ATOM 1024 N ALA A 64 -16.943 -9.574 -18.589 1.00 0.00 N ATOM 1025 CA ALA A 64 -18.298 -9.038 -18.580 1.00 0.00 C ATOM 1026 C ALA A 64 -19.119 -9.640 -17.444 1.00 0.00 C ATOM 1027 O ALA A 64 -20.279 -9.280 -17.246 1.00 0.00 O ATOM 1028 CB ALA A 64 -18.976 -9.293 -19.917 1.00 0.00 C ATOM 0 H ALA A 64 -16.784 -10.307 -19.281 1.00 0.00 H new ATOM 0 HA ALA A 64 -18.235 -7.962 -18.417 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -19.987 -8.887 -19.895 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.408 -8.809 -20.711 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -19.020 -10.366 -20.104 1.00 0.00 H new ATOM 1034 N TYR A 65 -18.509 -10.558 -16.703 1.00 0.00 N ATOM 1035 CA TYR A 65 -19.185 -11.213 -15.589 1.00 0.00 C ATOM 1036 C TYR A 65 -18.382 -11.064 -14.301 1.00 0.00 C ATOM 1037 O TYR A 65 -18.449 -11.912 -13.411 1.00 0.00 O ATOM 1038 CB TYR A 65 -19.404 -12.695 -15.898 1.00 0.00 C ATOM 1039 CG TYR A 65 -20.394 -12.941 -17.014 1.00 0.00 C ATOM 1040 CD1 TYR A 65 -20.102 -12.575 -18.322 1.00 0.00 C ATOM 1041 CD2 TYR A 65 -21.622 -13.539 -16.760 1.00 0.00 C ATOM 1042 CE1 TYR A 65 -21.003 -12.797 -19.344 1.00 0.00 C ATOM 1043 CE2 TYR A 65 -22.530 -13.767 -17.777 1.00 0.00 C ATOM 1044 CZ TYR A 65 -22.216 -13.394 -19.067 1.00 0.00 C ATOM 1045 OH TYR A 65 -23.117 -13.618 -20.082 1.00 0.00 O ATOM 0 H TYR A 65 -17.548 -10.866 -16.853 1.00 0.00 H new ATOM 0 HA TYR A 65 -20.153 -10.731 -15.450 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -18.449 -13.147 -16.165 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -19.753 -13.198 -14.996 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -19.153 -12.109 -18.543 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -21.871 -13.831 -15.751 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -20.760 -12.505 -20.355 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -23.480 -14.234 -17.563 1.00 0.00 H new ATOM 0 HH TYR A 65 -23.920 -14.047 -19.718 1.00 0.00 H new ATOM 1055 N VAL A 66 -17.622 -9.977 -14.207 1.00 0.00 N ATOM 1056 CA VAL A 66 -16.806 -9.713 -13.028 1.00 0.00 C ATOM 1057 C VAL A 66 -16.635 -8.215 -12.802 1.00 0.00 C ATOM 1058 O VAL A 66 -16.863 -7.410 -13.705 1.00 0.00 O ATOM 1059 CB VAL A 66 -15.416 -10.365 -13.150 1.00 0.00 C ATOM 1060 CG1 VAL A 66 -15.545 -11.874 -13.293 1.00 0.00 C ATOM 1061 CG2 VAL A 66 -14.651 -9.773 -14.324 1.00 0.00 C ATOM 0 H VAL A 66 -17.555 -9.265 -14.934 1.00 0.00 H new ATOM 0 HA VAL A 66 -17.330 -10.148 -12.177 1.00 0.00 H new ATOM 0 HB VAL A 66 -14.855 -10.157 -12.239 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -14.553 -12.318 -13.378 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -16.050 -12.281 -12.417 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -16.124 -12.107 -14.187 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -13.671 -10.245 -14.395 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -15.206 -9.948 -15.246 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -14.527 -8.701 -14.174 1.00 0.00 H new ATOM 1071 N LYS A 67 -16.231 -7.848 -11.591 1.00 0.00 N ATOM 1072 CA LYS A 67 -16.026 -6.446 -11.245 1.00 0.00 C ATOM 1073 C LYS A 67 -15.155 -6.315 -9.999 1.00 0.00 C ATOM 1074 O LYS A 67 -15.549 -6.727 -8.908 1.00 0.00 O ATOM 1075 CB LYS A 67 -17.372 -5.754 -11.015 1.00 0.00 C ATOM 1076 CG LYS A 67 -17.252 -4.263 -10.751 1.00 0.00 C ATOM 1077 CD LYS A 67 -17.227 -3.468 -12.045 1.00 0.00 C ATOM 1078 CE LYS A 67 -18.613 -3.366 -12.663 1.00 0.00 C ATOM 1079 NZ LYS A 67 -18.559 -2.879 -14.069 1.00 0.00 N ATOM 0 H LYS A 67 -16.039 -8.502 -10.832 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.514 -5.963 -12.077 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -18.005 -5.910 -11.888 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -17.873 -6.225 -10.170 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -18.089 -3.933 -10.136 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -16.343 -4.065 -10.184 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -16.839 -2.468 -11.851 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -16.546 -3.943 -12.752 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -19.096 -4.343 -12.635 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -19.227 -2.690 -12.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -19.523 -2.823 -14.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -18.122 -1.936 -14.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -17.994 -3.537 -14.643 1.00 0.00 H new ATOM 1093 N LYS A 68 -13.971 -5.737 -10.169 1.00 0.00 N ATOM 1094 CA LYS A 68 -13.045 -5.549 -9.059 1.00 0.00 C ATOM 1095 C LYS A 68 -13.727 -4.834 -7.897 1.00 0.00 C ATOM 1096 O LYS A 68 -14.432 -3.843 -8.092 1.00 0.00 O ATOM 1097 CB LYS A 68 -11.823 -4.749 -9.517 1.00 0.00 C ATOM 1098 CG LYS A 68 -10.630 -4.873 -8.585 1.00 0.00 C ATOM 1099 CD LYS A 68 -9.362 -4.339 -9.229 1.00 0.00 C ATOM 1100 CE LYS A 68 -9.269 -2.826 -9.105 1.00 0.00 C ATOM 1101 NZ LYS A 68 -7.906 -2.326 -9.436 1.00 0.00 N ATOM 0 H LYS A 68 -13.630 -5.390 -11.066 1.00 0.00 H new ATOM 0 HA LYS A 68 -12.721 -6.532 -8.718 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.532 -5.084 -10.512 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.099 -3.698 -9.603 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.829 -4.327 -7.663 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.488 -5.919 -8.311 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -8.492 -4.798 -8.758 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -9.341 -4.621 -10.282 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -9.998 -2.362 -9.769 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.529 -2.528 -8.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.883 -1.291 -9.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.213 -2.750 -8.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.668 -2.588 -10.414 1.00 0.00 H new ATOM 1115 N LEU A 69 -13.513 -5.342 -6.688 1.00 0.00 N ATOM 1116 CA LEU A 69 -14.106 -4.751 -5.493 1.00 0.00 C ATOM 1117 C LEU A 69 -13.116 -3.824 -4.795 1.00 0.00 C ATOM 1118 O LEU A 69 -13.489 -2.762 -4.297 1.00 0.00 O ATOM 1119 CB LEU A 69 -14.562 -5.848 -4.530 1.00 0.00 C ATOM 1120 CG LEU A 69 -13.569 -6.986 -4.290 1.00 0.00 C ATOM 1121 CD1 LEU A 69 -13.662 -7.482 -2.856 1.00 0.00 C ATOM 1122 CD2 LEU A 69 -13.817 -8.125 -5.268 1.00 0.00 C ATOM 0 H LEU A 69 -12.933 -6.162 -6.509 1.00 0.00 H new ATOM 0 HA LEU A 69 -14.971 -4.163 -5.800 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -14.795 -5.387 -3.570 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.489 -6.276 -4.911 1.00 0.00 H new ATOM 0 HG LEU A 69 -12.561 -6.605 -4.456 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -12.948 -8.292 -2.704 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.434 -6.664 -2.173 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -14.671 -7.846 -2.662 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -13.101 -8.926 -5.083 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -14.830 -8.505 -5.134 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -13.698 -7.761 -6.288 1.00 0.00 H new ATOM 1134 N ASP A 70 -11.852 -4.233 -4.764 1.00 0.00 N ATOM 1135 CA ASP A 70 -10.807 -3.438 -4.129 1.00 0.00 C ATOM 1136 C ASP A 70 -9.774 -2.981 -5.155 1.00 0.00 C ATOM 1137 O ASP A 70 -9.338 -3.762 -6.002 1.00 0.00 O ATOM 1138 CB ASP A 70 -10.124 -4.245 -3.024 1.00 0.00 C ATOM 1139 CG ASP A 70 -9.038 -3.456 -2.318 1.00 0.00 C ATOM 1140 OD1 ASP A 70 -8.016 -3.145 -2.965 1.00 0.00 O ATOM 1141 OD2 ASP A 70 -9.210 -3.150 -1.120 1.00 0.00 O ATOM 0 H ASP A 70 -11.527 -5.110 -5.171 1.00 0.00 H new ATOM 0 HA ASP A 70 -11.272 -2.555 -3.689 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -10.870 -4.562 -2.296 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -9.692 -5.149 -3.453 1.00 0.00 H new TER 1146 ASP A 70