USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 526 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 16 LYS NZ :NH3+ -167:sc= -9.38! (180deg=-5.76!) USER MOD Set 1.2: A 47 ASN : amide:sc= -6.14! C(o=-16!,f=-25!) USER MOD Single : A 1 ALA N :NH3+ -171:sc= 0.767 (180deg=0.389) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -144:sc= 0.71 USER MOD Single : A 8 LYS NZ :NH3+ 160:sc= 0.322 (180deg=-0.0111) USER MOD Single : A 10 SER OG : rot -38:sc= 0.825 USER MOD Single : A 14 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.00791) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.87 USER MOD Single : A 29 SER OG : rot -104:sc= 0.0493 USER MOD Single : A 41 THR OG1 : rot 26:sc= 0.258 USER MOD Single : A 46 MET CE :methyl 169:sc= -0.314 (180deg=-0.778) USER MOD Single : A 55 ASN : amide:sc= -6.39! C(o=-6.4!,f=-1.2!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -8.98! C(o=-9!,f=-11!) USER MOD Single : A 65 SER OG : rot 176:sc= -2.53! USER MOD Single : A 66 THR OG1 : rot -114:sc= -0.128! USER MOD Single : A 68 GLN : amide:sc= -5.51! K(o=-5.5!,f=-1.6) USER MOD Single : A 69 GLN : amide:sc= -0.17 K(o=-0.17,f=-0.99) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.468 -3.282 6.616 1.00 1.00 N ATOM 2 CA ALA A 1 -10.228 -3.537 5.168 1.00 1.00 C ATOM 3 C ALA A 1 -10.490 -5.008 4.862 1.00 1.00 C ATOM 4 O ALA A 1 -10.398 -5.863 5.743 1.00 1.00 O ATOM 5 CB ALA A 1 -8.780 -3.186 4.823 1.00 1.00 C ATOM 0 H1 ALA A 1 -10.440 -2.258 6.798 1.00 1.00 H new ATOM 0 H2 ALA A 1 -11.401 -3.655 6.884 1.00 1.00 H new ATOM 0 H3 ALA A 1 -9.731 -3.754 7.178 1.00 1.00 H new ATOM 0 HA ALA A 1 -10.900 -2.920 4.571 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -8.603 -3.372 3.764 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -8.599 -2.134 5.042 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -8.105 -3.802 5.417 1.00 1.00 H new ATOM 13 N LYS A 2 -10.814 -5.299 3.605 1.00 1.00 N ATOM 14 CA LYS A 2 -11.087 -6.671 3.193 1.00 1.00 C ATOM 15 C LYS A 2 -9.783 -7.444 3.028 1.00 1.00 C ATOM 16 O LYS A 2 -8.756 -6.874 2.669 1.00 1.00 O ATOM 17 CB LYS A 2 -11.858 -6.681 1.875 1.00 1.00 C ATOM 18 CG LYS A 2 -13.250 -6.084 2.094 1.00 1.00 C ATOM 19 CD LYS A 2 -14.017 -6.080 0.773 1.00 1.00 C ATOM 20 CE LYS A 2 -15.405 -5.474 0.989 1.00 1.00 C ATOM 21 NZ LYS A 2 -16.156 -5.473 -0.298 1.00 1.00 N ATOM 0 H LYS A 2 -10.893 -4.608 2.859 1.00 1.00 H new ATOM 0 HA LYS A 2 -11.689 -7.150 3.965 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -11.319 -6.107 1.122 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -11.943 -7.700 1.499 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -13.793 -6.664 2.840 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -13.165 -5.068 2.480 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -13.470 -5.506 0.025 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -14.108 -7.097 0.390 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -15.950 -6.047 1.739 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -15.314 -4.457 1.369 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -17.099 -5.061 -0.149 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -15.638 -4.908 -1.002 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -16.255 -6.449 -0.643 1.00 1.00 H new ATOM 35 N LYS A 3 -9.830 -8.742 3.295 1.00 1.00 N ATOM 36 CA LYS A 3 -8.639 -9.577 3.180 1.00 1.00 C ATOM 37 C LYS A 3 -8.092 -9.543 1.759 1.00 1.00 C ATOM 38 O LYS A 3 -6.879 -9.484 1.554 1.00 1.00 O ATOM 39 CB LYS A 3 -8.979 -11.018 3.553 1.00 1.00 C ATOM 40 CG LYS A 3 -9.385 -11.088 5.026 1.00 1.00 C ATOM 41 CD LYS A 3 -9.503 -12.553 5.461 1.00 1.00 C ATOM 42 CE LYS A 3 -10.654 -13.228 4.707 1.00 1.00 C ATOM 43 NZ LYS A 3 -11.027 -14.492 5.402 1.00 1.00 N ATOM 0 H LYS A 3 -10.671 -9.238 3.590 1.00 1.00 H new ATOM 0 HA LYS A 3 -7.881 -9.188 3.860 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -9.791 -11.385 2.924 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -8.119 -11.663 3.372 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -8.646 -10.574 5.641 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -10.336 -10.577 5.176 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -8.569 -13.077 5.261 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -9.677 -12.610 6.535 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -11.513 -12.559 4.659 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -10.356 -13.439 3.680 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -11.808 -14.951 4.892 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -10.206 -15.130 5.426 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -11.327 -14.278 6.374 1.00 1.00 H new ATOM 57 N GLU A 4 -8.988 -9.579 0.781 1.00 1.00 N ATOM 58 CA GLU A 4 -8.574 -9.552 -0.615 1.00 1.00 C ATOM 59 C GLU A 4 -7.760 -8.292 -0.907 1.00 1.00 C ATOM 60 O GLU A 4 -6.722 -8.350 -1.569 1.00 1.00 O ATOM 61 CB GLU A 4 -9.813 -9.590 -1.521 1.00 1.00 C ATOM 62 CG GLU A 4 -10.570 -8.261 -1.417 1.00 1.00 C ATOM 63 CD GLU A 4 -11.971 -8.410 -1.999 1.00 1.00 C ATOM 64 OE1 GLU A 4 -12.127 -9.185 -2.925 1.00 1.00 O ATOM 65 OE2 GLU A 4 -12.866 -7.745 -1.504 1.00 1.00 O ATOM 0 H GLU A 4 -9.996 -9.627 0.926 1.00 1.00 H new ATOM 0 HA GLU A 4 -7.951 -10.424 -0.813 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -9.515 -9.770 -2.554 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -10.464 -10.414 -1.229 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -10.632 -7.949 -0.374 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -10.027 -7.481 -1.951 1.00 1.00 H new ATOM 72 N THR A 5 -8.246 -7.155 -0.415 1.00 1.00 N ATOM 73 CA THR A 5 -7.566 -5.887 -0.629 1.00 1.00 C ATOM 74 C THR A 5 -6.238 -5.858 0.113 1.00 1.00 C ATOM 75 O THR A 5 -5.230 -5.413 -0.420 1.00 1.00 O ATOM 76 CB THR A 5 -8.446 -4.724 -0.162 1.00 1.00 C ATOM 77 OG1 THR A 5 -9.774 -4.951 -0.610 1.00 1.00 O ATOM 78 CG2 THR A 5 -7.929 -3.412 -0.771 1.00 1.00 C ATOM 0 H THR A 5 -9.105 -7.089 0.132 1.00 1.00 H new ATOM 0 HA THR A 5 -7.374 -5.781 -1.697 1.00 1.00 H new ATOM 0 HB THR A 5 -8.420 -4.654 0.925 1.00 1.00 H new ATOM 0 HG1 THR A 5 -10.187 -4.097 -0.854 1.00 1.00 H new ATOM 0 HG21 THR A 5 -8.556 -2.585 -0.438 1.00 1.00 H new ATOM 0 HG22 THR A 5 -6.902 -3.241 -0.449 1.00 1.00 H new ATOM 0 HG23 THR A 5 -7.962 -3.478 -1.859 1.00 1.00 H new ATOM 86 N ILE A 6 -6.252 -6.340 1.348 1.00 1.00 N ATOM 87 CA ILE A 6 -5.047 -6.361 2.166 1.00 1.00 C ATOM 88 C ILE A 6 -3.954 -7.178 1.490 1.00 1.00 C ATOM 89 O ILE A 6 -2.791 -6.771 1.468 1.00 1.00 O ATOM 90 CB ILE A 6 -5.363 -6.959 3.543 1.00 1.00 C ATOM 91 CG1 ILE A 6 -6.257 -5.995 4.332 1.00 1.00 C ATOM 92 CG2 ILE A 6 -4.062 -7.194 4.319 1.00 1.00 C ATOM 93 CD1 ILE A 6 -6.795 -6.700 5.581 1.00 1.00 C ATOM 0 H ILE A 6 -7.081 -6.720 1.804 1.00 1.00 H new ATOM 0 HA ILE A 6 -4.693 -5.337 2.287 1.00 1.00 H new ATOM 0 HB ILE A 6 -5.881 -7.909 3.408 1.00 1.00 H new ATOM 0 HG12 ILE A 6 -5.690 -5.109 4.618 1.00 1.00 H new ATOM 0 HG13 ILE A 6 -7.084 -5.657 3.708 1.00 1.00 H new ATOM 0 HG21 ILE A 6 -4.293 -7.619 5.296 1.00 1.00 H new ATOM 0 HG22 ILE A 6 -3.427 -7.884 3.764 1.00 1.00 H new ATOM 0 HG23 ILE A 6 -3.540 -6.246 4.450 1.00 1.00 H new ATOM 0 HD11 ILE A 6 -7.430 -6.014 6.141 1.00 1.00 H new ATOM 0 HD12 ILE A 6 -7.377 -7.573 5.284 1.00 1.00 H new ATOM 0 HD13 ILE A 6 -5.961 -7.016 6.208 1.00 1.00 H new ATOM 105 N ASP A 7 -4.326 -8.320 0.936 1.00 1.00 N ATOM 106 CA ASP A 7 -3.363 -9.174 0.262 1.00 1.00 C ATOM 107 C ASP A 7 -2.759 -8.448 -0.935 1.00 1.00 C ATOM 108 O ASP A 7 -1.576 -8.597 -1.232 1.00 1.00 O ATOM 109 CB ASP A 7 -4.052 -10.456 -0.206 1.00 1.00 C ATOM 110 CG ASP A 7 -4.348 -11.357 0.990 1.00 1.00 C ATOM 111 OD1 ASP A 7 -3.817 -11.089 2.055 1.00 1.00 O ATOM 112 OD2 ASP A 7 -5.107 -12.298 0.824 1.00 1.00 O ATOM 0 H ASP A 7 -5.282 -8.675 0.939 1.00 1.00 H new ATOM 0 HA ASP A 7 -2.565 -9.425 0.960 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -4.978 -10.212 -0.726 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -3.416 -10.981 -0.919 1.00 1.00 H new ATOM 117 N LYS A 8 -3.581 -7.665 -1.620 1.00 1.00 N ATOM 118 CA LYS A 8 -3.112 -6.923 -2.783 1.00 1.00 C ATOM 119 C LYS A 8 -2.071 -5.890 -2.389 1.00 1.00 C ATOM 120 O LYS A 8 -1.034 -5.760 -3.037 1.00 1.00 O ATOM 121 CB LYS A 8 -4.292 -6.219 -3.447 1.00 1.00 C ATOM 122 CG LYS A 8 -5.190 -7.250 -4.155 1.00 1.00 C ATOM 123 CD LYS A 8 -4.684 -7.503 -5.590 1.00 1.00 C ATOM 124 CE LYS A 8 -5.299 -6.474 -6.543 1.00 1.00 C ATOM 125 NZ LYS A 8 -4.795 -6.715 -7.921 1.00 1.00 N ATOM 0 H LYS A 8 -4.566 -7.527 -1.394 1.00 1.00 H new ATOM 0 HA LYS A 8 -2.655 -7.628 -3.477 1.00 1.00 H new ATOM 0 HB2 LYS A 8 -4.869 -5.675 -2.699 1.00 1.00 H new ATOM 0 HB3 LYS A 8 -3.930 -5.485 -4.167 1.00 1.00 H new ATOM 0 HG2 LYS A 8 -5.195 -8.184 -3.594 1.00 1.00 H new ATOM 0 HG3 LYS A 8 -6.218 -6.889 -4.183 1.00 1.00 H new ATOM 0 HD2 LYS A 8 -3.596 -7.436 -5.620 1.00 1.00 H new ATOM 0 HD3 LYS A 8 -4.950 -8.511 -5.907 1.00 1.00 H new ATOM 0 HE2 LYS A 8 -6.386 -6.548 -6.523 1.00 1.00 H new ATOM 0 HE3 LYS A 8 -5.042 -5.465 -6.221 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -5.436 -6.270 -8.608 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -3.844 -6.306 -8.019 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -4.752 -7.738 -8.101 1.00 1.00 H new ATOM 139 N VAL A 9 -2.361 -5.144 -1.332 1.00 1.00 N ATOM 140 CA VAL A 9 -1.445 -4.110 -0.875 1.00 1.00 C ATOM 141 C VAL A 9 -0.099 -4.713 -0.502 1.00 1.00 C ATOM 142 O VAL A 9 0.953 -4.213 -0.906 1.00 1.00 O ATOM 143 CB VAL A 9 -2.036 -3.397 0.340 1.00 1.00 C ATOM 144 CG1 VAL A 9 -1.063 -2.325 0.829 1.00 1.00 C ATOM 145 CG2 VAL A 9 -3.377 -2.746 -0.028 1.00 1.00 C ATOM 0 H VAL A 9 -3.214 -5.234 -0.780 1.00 1.00 H new ATOM 0 HA VAL A 9 -1.298 -3.396 -1.685 1.00 1.00 H new ATOM 0 HB VAL A 9 -2.202 -4.127 1.132 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -1.486 -1.817 1.696 1.00 1.00 H new ATOM 0 HG12 VAL A 9 -0.118 -2.791 1.107 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -0.890 -1.601 0.033 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -3.788 -2.241 0.846 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -3.222 -2.021 -0.827 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -4.074 -3.514 -0.365 1.00 1.00 H new ATOM 155 N SER A 10 -0.134 -5.791 0.269 1.00 1.00 N ATOM 156 CA SER A 10 1.091 -6.455 0.685 1.00 1.00 C ATOM 157 C SER A 10 1.860 -6.969 -0.527 1.00 1.00 C ATOM 158 O SER A 10 3.085 -6.878 -0.574 1.00 1.00 O ATOM 159 CB SER A 10 0.766 -7.628 1.608 1.00 1.00 C ATOM 160 OG SER A 10 0.085 -8.636 0.872 1.00 1.00 O ATOM 0 H SER A 10 -0.991 -6.221 0.616 1.00 1.00 H new ATOM 0 HA SER A 10 1.707 -5.730 1.218 1.00 1.00 H new ATOM 0 HB2 SER A 10 1.683 -8.032 2.036 1.00 1.00 H new ATOM 0 HB3 SER A 10 0.148 -7.290 2.440 1.00 1.00 H new ATOM 0 HG SER A 10 -0.527 -8.216 0.231 1.00 1.00 H new ATOM 166 N ASP A 11 1.131 -7.505 -1.504 1.00 1.00 N ATOM 167 CA ASP A 11 1.754 -8.037 -2.714 1.00 1.00 C ATOM 168 C ASP A 11 2.472 -6.938 -3.476 1.00 1.00 C ATOM 169 O ASP A 11 3.556 -7.151 -4.018 1.00 1.00 O ATOM 170 CB ASP A 11 0.693 -8.668 -3.614 1.00 1.00 C ATOM 171 CG ASP A 11 1.359 -9.348 -4.806 1.00 1.00 C ATOM 172 OD1 ASP A 11 2.565 -9.212 -4.941 1.00 1.00 O ATOM 173 OD2 ASP A 11 0.656 -9.988 -5.567 1.00 1.00 O ATOM 0 H ASP A 11 0.114 -7.582 -1.482 1.00 1.00 H new ATOM 0 HA ASP A 11 2.481 -8.794 -2.419 1.00 1.00 H new ATOM 0 HB2 ASP A 11 0.110 -9.395 -3.049 1.00 1.00 H new ATOM 0 HB3 ASP A 11 -0.002 -7.904 -3.962 1.00 1.00 H new ATOM 178 N ILE A 12 1.868 -5.762 -3.507 1.00 1.00 N ATOM 179 CA ILE A 12 2.463 -4.635 -4.196 1.00 1.00 C ATOM 180 C ILE A 12 3.848 -4.340 -3.642 1.00 1.00 C ATOM 181 O ILE A 12 4.718 -3.872 -4.365 1.00 1.00 O ATOM 182 CB ILE A 12 1.559 -3.378 -4.076 1.00 1.00 C ATOM 183 CG1 ILE A 12 0.676 -3.236 -5.326 1.00 1.00 C ATOM 184 CG2 ILE A 12 2.400 -2.101 -3.909 1.00 1.00 C ATOM 185 CD1 ILE A 12 -0.366 -4.352 -5.360 1.00 1.00 C ATOM 0 H ILE A 12 0.970 -5.566 -3.065 1.00 1.00 H new ATOM 0 HA ILE A 12 2.557 -4.894 -5.251 1.00 1.00 H new ATOM 0 HB ILE A 12 0.933 -3.506 -3.193 1.00 1.00 H new ATOM 0 HG12 ILE A 12 0.181 -2.265 -5.323 1.00 1.00 H new ATOM 0 HG13 ILE A 12 1.293 -3.276 -6.224 1.00 1.00 H new ATOM 0 HG21 ILE A 12 1.739 -1.238 -3.828 1.00 1.00 H new ATOM 0 HG22 ILE A 12 3.006 -2.180 -3.007 1.00 1.00 H new ATOM 0 HG23 ILE A 12 3.052 -1.979 -4.774 1.00 1.00 H new ATOM 0 HD11 ILE A 12 -0.987 -4.243 -6.249 1.00 1.00 H new ATOM 0 HD12 ILE A 12 0.137 -5.319 -5.385 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -0.993 -4.292 -4.470 1.00 1.00 H new ATOM 197 N VAL A 13 4.026 -4.563 -2.359 1.00 1.00 N ATOM 198 CA VAL A 13 5.300 -4.284 -1.724 1.00 1.00 C ATOM 199 C VAL A 13 6.353 -5.307 -2.136 1.00 1.00 C ATOM 200 O VAL A 13 7.506 -4.956 -2.371 1.00 1.00 O ATOM 201 CB VAL A 13 5.140 -4.297 -0.207 1.00 1.00 C ATOM 202 CG1 VAL A 13 6.474 -3.953 0.456 1.00 1.00 C ATOM 203 CG2 VAL A 13 4.084 -3.269 0.202 1.00 1.00 C ATOM 0 H VAL A 13 3.310 -4.935 -1.735 1.00 1.00 H new ATOM 0 HA VAL A 13 5.631 -3.297 -2.048 1.00 1.00 H new ATOM 0 HB VAL A 13 4.825 -5.290 0.115 1.00 1.00 H new ATOM 0 HG11 VAL A 13 6.355 -3.963 1.539 1.00 1.00 H new ATOM 0 HG12 VAL A 13 7.225 -4.688 0.166 1.00 1.00 H new ATOM 0 HG13 VAL A 13 6.795 -2.962 0.136 1.00 1.00 H new ATOM 0 HG21 VAL A 13 3.969 -3.277 1.286 1.00 1.00 H new ATOM 0 HG22 VAL A 13 4.398 -2.277 -0.122 1.00 1.00 H new ATOM 0 HG23 VAL A 13 3.132 -3.519 -0.266 1.00 1.00 H new ATOM 213 N LYS A 14 5.950 -6.571 -2.188 1.00 1.00 N ATOM 214 CA LYS A 14 6.872 -7.646 -2.538 1.00 1.00 C ATOM 215 C LYS A 14 7.392 -7.496 -3.960 1.00 1.00 C ATOM 216 O LYS A 14 8.593 -7.633 -4.206 1.00 1.00 O ATOM 217 CB LYS A 14 6.151 -8.982 -2.421 1.00 1.00 C ATOM 218 CG LYS A 14 5.405 -9.056 -1.076 1.00 1.00 C ATOM 219 CD LYS A 14 5.263 -10.528 -0.620 1.00 1.00 C ATOM 220 CE LYS A 14 6.398 -10.891 0.352 1.00 1.00 C ATOM 221 NZ LYS A 14 5.963 -10.582 1.738 1.00 1.00 N ATOM 0 H LYS A 14 4.996 -6.876 -1.994 1.00 1.00 H new ATOM 0 HA LYS A 14 7.719 -7.599 -1.853 1.00 1.00 H new ATOM 0 HB2 LYS A 14 5.447 -9.099 -3.245 1.00 1.00 H new ATOM 0 HB3 LYS A 14 6.867 -9.800 -2.495 1.00 1.00 H new ATOM 0 HG2 LYS A 14 5.945 -8.485 -0.321 1.00 1.00 H new ATOM 0 HG3 LYS A 14 4.419 -8.602 -1.174 1.00 1.00 H new ATOM 0 HD2 LYS A 14 4.298 -10.675 -0.136 1.00 1.00 H new ATOM 0 HD3 LYS A 14 5.290 -11.189 -1.486 1.00 1.00 H new ATOM 0 HE2 LYS A 14 6.647 -11.948 0.262 1.00 1.00 H new ATOM 0 HE3 LYS A 14 7.299 -10.329 0.106 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 6.758 -10.728 2.392 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 5.649 -9.592 1.791 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 5.177 -11.209 2.003 1.00 1.00 H new ATOM 235 N GLU A 15 6.490 -7.227 -4.894 1.00 1.00 N ATOM 236 CA GLU A 15 6.875 -7.078 -6.295 1.00 1.00 C ATOM 237 C GLU A 15 7.987 -6.051 -6.449 1.00 1.00 C ATOM 238 O GLU A 15 8.701 -6.038 -7.450 1.00 1.00 O ATOM 239 CB GLU A 15 5.665 -6.646 -7.127 1.00 1.00 C ATOM 240 CG GLU A 15 5.028 -5.437 -6.495 1.00 1.00 C ATOM 241 CD GLU A 15 3.952 -4.866 -7.422 1.00 1.00 C ATOM 242 OE1 GLU A 15 3.267 -5.648 -8.061 1.00 1.00 O ATOM 243 OE2 GLU A 15 3.830 -3.653 -7.475 1.00 1.00 O ATOM 0 H GLU A 15 5.494 -7.108 -4.712 1.00 1.00 H new ATOM 0 HA GLU A 15 7.239 -8.042 -6.650 1.00 1.00 H new ATOM 0 HB2 GLU A 15 5.974 -6.416 -8.147 1.00 1.00 H new ATOM 0 HB3 GLU A 15 4.943 -7.460 -7.189 1.00 1.00 H new ATOM 0 HG2 GLU A 15 4.587 -5.708 -5.536 1.00 1.00 H new ATOM 0 HG3 GLU A 15 5.786 -4.680 -6.294 1.00 1.00 H new ATOM 250 N LYS A 16 8.119 -5.190 -5.460 1.00 1.00 N ATOM 251 CA LYS A 16 9.139 -4.145 -5.494 1.00 1.00 C ATOM 252 C LYS A 16 10.528 -4.753 -5.507 1.00 1.00 C ATOM 253 O LYS A 16 11.416 -4.267 -6.206 1.00 1.00 O ATOM 254 CB LYS A 16 8.986 -3.223 -4.277 1.00 1.00 C ATOM 255 CG LYS A 16 7.539 -2.766 -4.150 1.00 1.00 C ATOM 256 CD LYS A 16 7.185 -1.753 -5.245 1.00 1.00 C ATOM 257 CE LYS A 16 5.699 -1.405 -5.184 1.00 1.00 C ATOM 258 NZ LYS A 16 5.513 -0.011 -5.655 1.00 1.00 N ATOM 0 H LYS A 16 7.537 -5.188 -4.622 1.00 1.00 H new ATOM 0 HA LYS A 16 9.006 -3.563 -6.406 1.00 1.00 H new ATOM 0 HB2 LYS A 16 9.291 -3.748 -3.372 1.00 1.00 H new ATOM 0 HB3 LYS A 16 9.642 -2.358 -4.380 1.00 1.00 H new ATOM 0 HG2 LYS A 16 6.875 -3.627 -4.218 1.00 1.00 H new ATOM 0 HG3 LYS A 16 7.380 -2.317 -3.169 1.00 1.00 H new ATOM 0 HD2 LYS A 16 7.782 -0.850 -5.121 1.00 1.00 H new ATOM 0 HD3 LYS A 16 7.429 -2.165 -6.224 1.00 1.00 H new ATOM 0 HE2 LYS A 16 5.125 -2.093 -5.805 1.00 1.00 H new ATOM 0 HE3 LYS A 16 5.328 -1.511 -4.164 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 4.554 0.312 -5.415 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 6.212 0.607 -5.195 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 5.643 0.027 -6.686 1.00 1.00 H new ATOM 272 N LEU A 17 10.714 -5.820 -4.737 1.00 1.00 N ATOM 273 CA LEU A 17 12.009 -6.501 -4.667 1.00 1.00 C ATOM 274 C LEU A 17 11.873 -7.947 -5.122 1.00 1.00 C ATOM 275 O LEU A 17 12.681 -8.798 -4.755 1.00 1.00 O ATOM 276 CB LEU A 17 12.553 -6.464 -3.240 1.00 1.00 C ATOM 277 CG LEU A 17 11.458 -6.912 -2.249 1.00 1.00 C ATOM 278 CD1 LEU A 17 12.106 -7.313 -0.917 1.00 1.00 C ATOM 279 CD2 LEU A 17 10.428 -5.779 -2.013 1.00 1.00 C ATOM 0 H LEU A 17 9.988 -6.234 -4.152 1.00 1.00 H new ATOM 0 HA LEU A 17 12.704 -5.982 -5.328 1.00 1.00 H new ATOM 0 HB2 LEU A 17 13.422 -7.117 -3.156 1.00 1.00 H new ATOM 0 HB3 LEU A 17 12.887 -5.456 -2.995 1.00 1.00 H new ATOM 0 HG LEU A 17 10.933 -7.767 -2.674 1.00 1.00 H new ATOM 0 HD11 LEU A 17 11.333 -7.629 -0.217 1.00 1.00 H new ATOM 0 HD12 LEU A 17 12.803 -8.135 -1.084 1.00 1.00 H new ATOM 0 HD13 LEU A 17 12.644 -6.460 -0.503 1.00 1.00 H new ATOM 0 HD21 LEU A 17 9.667 -6.120 -1.311 1.00 1.00 H new ATOM 0 HD22 LEU A 17 10.935 -4.906 -1.603 1.00 1.00 H new ATOM 0 HD23 LEU A 17 9.956 -5.513 -2.959 1.00 1.00 H new ATOM 291 N ALA A 18 10.851 -8.214 -5.928 1.00 1.00 N ATOM 292 CA ALA A 18 10.625 -9.563 -6.434 1.00 1.00 C ATOM 293 C ALA A 18 10.572 -10.573 -5.296 1.00 1.00 C ATOM 294 O ALA A 18 11.518 -11.331 -5.090 1.00 1.00 O ATOM 295 CB ALA A 18 11.749 -9.947 -7.392 1.00 1.00 C ATOM 0 H ALA A 18 10.172 -7.521 -6.243 1.00 1.00 H new ATOM 0 HA ALA A 18 9.668 -9.574 -6.955 1.00 1.00 H new ATOM 0 HB1 ALA A 18 11.578 -10.955 -7.769 1.00 1.00 H new ATOM 0 HB2 ALA A 18 11.771 -9.247 -8.227 1.00 1.00 H new ATOM 0 HB3 ALA A 18 12.703 -9.914 -6.866 1.00 1.00 H new ATOM 301 N LEU A 19 9.459 -10.577 -4.563 1.00 1.00 N ATOM 302 CA LEU A 19 9.278 -11.502 -3.439 1.00 1.00 C ATOM 303 C LEU A 19 7.920 -12.187 -3.526 1.00 1.00 C ATOM 304 O LEU A 19 7.261 -12.159 -4.564 1.00 1.00 O ATOM 305 CB LEU A 19 9.413 -10.732 -2.110 1.00 1.00 C ATOM 306 CG LEU A 19 10.723 -11.105 -1.406 1.00 1.00 C ATOM 307 CD1 LEU A 19 11.924 -10.787 -2.320 1.00 1.00 C ATOM 308 CD2 LEU A 19 10.824 -10.325 -0.088 1.00 1.00 C ATOM 0 H LEU A 19 8.669 -9.952 -4.725 1.00 1.00 H new ATOM 0 HA LEU A 19 10.048 -12.272 -3.483 1.00 1.00 H new ATOM 0 HB2 LEU A 19 9.388 -9.659 -2.300 1.00 1.00 H new ATOM 0 HB3 LEU A 19 8.567 -10.961 -1.462 1.00 1.00 H new ATOM 0 HG LEU A 19 10.734 -12.173 -1.191 1.00 1.00 H new ATOM 0 HD11 LEU A 19 12.850 -11.055 -1.811 1.00 1.00 H new ATOM 0 HD12 LEU A 19 11.839 -11.359 -3.244 1.00 1.00 H new ATOM 0 HD13 LEU A 19 11.933 -9.722 -2.552 1.00 1.00 H new ATOM 0 HD21 LEU A 19 11.753 -10.585 0.418 1.00 1.00 H new ATOM 0 HD22 LEU A 19 10.812 -9.255 -0.296 1.00 1.00 H new ATOM 0 HD23 LEU A 19 9.979 -10.580 0.551 1.00 1.00 H new ATOM 320 N GLY A 20 7.521 -12.813 -2.421 1.00 1.00 N ATOM 321 CA GLY A 20 6.252 -13.519 -2.362 1.00 1.00 C ATOM 322 C GLY A 20 6.429 -14.992 -2.702 1.00 1.00 C ATOM 323 O GLY A 20 5.458 -15.745 -2.750 1.00 1.00 O ATOM 0 H GLY A 20 8.061 -12.843 -1.556 1.00 1.00 H new ATOM 0 HA2 GLY A 20 5.824 -13.422 -1.364 1.00 1.00 H new ATOM 0 HA3 GLY A 20 5.546 -13.064 -3.057 1.00 1.00 H new ATOM 327 N ALA A 21 7.675 -15.395 -2.934 1.00 1.00 N ATOM 328 CA ALA A 21 7.963 -16.783 -3.266 1.00 1.00 C ATOM 329 C ALA A 21 7.946 -17.643 -2.010 1.00 1.00 C ATOM 330 O ALA A 21 6.994 -18.384 -1.772 1.00 1.00 O ATOM 331 CB ALA A 21 9.332 -16.886 -3.940 1.00 1.00 C ATOM 0 H ALA A 21 8.492 -14.786 -2.898 1.00 1.00 H new ATOM 0 HA ALA A 21 7.195 -17.142 -3.951 1.00 1.00 H new ATOM 0 HB1 ALA A 21 9.539 -17.928 -4.185 1.00 1.00 H new ATOM 0 HB2 ALA A 21 9.334 -16.291 -4.853 1.00 1.00 H new ATOM 0 HB3 ALA A 21 10.100 -16.513 -3.263 1.00 1.00 H new ATOM 337 N ASP A 22 9.005 -17.538 -1.208 1.00 1.00 N ATOM 338 CA ASP A 22 9.111 -18.310 0.032 1.00 1.00 C ATOM 339 C ASP A 22 9.177 -17.382 1.236 1.00 1.00 C ATOM 340 O ASP A 22 9.813 -17.702 2.237 1.00 1.00 O ATOM 341 CB ASP A 22 10.362 -19.185 -0.004 1.00 1.00 C ATOM 342 CG ASP A 22 11.608 -18.314 -0.109 1.00 1.00 C ATOM 343 OD1 ASP A 22 11.457 -17.111 -0.243 1.00 1.00 O ATOM 344 OD2 ASP A 22 12.695 -18.863 -0.054 1.00 1.00 O ATOM 0 H ASP A 22 9.801 -16.927 -1.393 1.00 1.00 H new ATOM 0 HA ASP A 22 8.227 -18.941 0.120 1.00 1.00 H new ATOM 0 HB2 ASP A 22 10.412 -19.798 0.896 1.00 1.00 H new ATOM 0 HB3 ASP A 22 10.313 -19.868 -0.852 1.00 1.00 H new ATOM 349 N VAL A 23 8.519 -16.228 1.129 1.00 1.00 N ATOM 350 CA VAL A 23 8.509 -15.248 2.218 1.00 1.00 C ATOM 351 C VAL A 23 7.100 -15.076 2.774 1.00 1.00 C ATOM 352 O VAL A 23 6.137 -14.917 2.022 1.00 1.00 O ATOM 353 CB VAL A 23 9.023 -13.901 1.708 1.00 1.00 C ATOM 354 CG1 VAL A 23 9.030 -12.895 2.859 1.00 1.00 C ATOM 355 CG2 VAL A 23 10.446 -14.070 1.165 1.00 1.00 C ATOM 0 H VAL A 23 7.988 -15.948 0.304 1.00 1.00 H new ATOM 0 HA VAL A 23 9.159 -15.611 3.014 1.00 1.00 H new ATOM 0 HB VAL A 23 8.373 -13.539 0.911 1.00 1.00 H new ATOM 0 HG11 VAL A 23 9.396 -11.933 2.499 1.00 1.00 H new ATOM 0 HG12 VAL A 23 8.018 -12.777 3.245 1.00 1.00 H new ATOM 0 HG13 VAL A 23 9.682 -13.257 3.654 1.00 1.00 H new ATOM 0 HG21 VAL A 23 10.813 -13.110 0.801 1.00 1.00 H new ATOM 0 HG22 VAL A 23 11.099 -14.430 1.960 1.00 1.00 H new ATOM 0 HG23 VAL A 23 10.440 -14.790 0.347 1.00 1.00 H new ATOM 365 N VAL A 24 6.990 -15.111 4.097 1.00 1.00 N ATOM 366 CA VAL A 24 5.697 -14.958 4.753 1.00 1.00 C ATOM 367 C VAL A 24 5.169 -13.548 4.544 1.00 1.00 C ATOM 368 O VAL A 24 5.928 -12.582 4.584 1.00 1.00 O ATOM 369 CB VAL A 24 5.831 -15.234 6.249 1.00 1.00 C ATOM 370 CG1 VAL A 24 4.472 -15.038 6.928 1.00 1.00 C ATOM 371 CG2 VAL A 24 6.304 -16.674 6.462 1.00 1.00 C ATOM 0 H VAL A 24 7.776 -15.243 4.734 1.00 1.00 H new ATOM 0 HA VAL A 24 4.999 -15.672 4.317 1.00 1.00 H new ATOM 0 HB VAL A 24 6.557 -14.545 6.682 1.00 1.00 H new ATOM 0 HG11 VAL A 24 4.567 -15.235 7.996 1.00 1.00 H new ATOM 0 HG12 VAL A 24 4.134 -14.013 6.777 1.00 1.00 H new ATOM 0 HG13 VAL A 24 3.746 -15.727 6.495 1.00 1.00 H new ATOM 0 HG21 VAL A 24 6.400 -16.871 7.530 1.00 1.00 H new ATOM 0 HG22 VAL A 24 5.579 -17.363 6.029 1.00 1.00 H new ATOM 0 HG23 VAL A 24 7.271 -16.815 5.979 1.00 1.00 H new ATOM 381 N VAL A 25 3.863 -13.437 4.313 1.00 1.00 N ATOM 382 CA VAL A 25 3.231 -12.136 4.088 1.00 1.00 C ATOM 383 C VAL A 25 2.222 -11.830 5.189 1.00 1.00 C ATOM 384 O VAL A 25 1.358 -12.649 5.498 1.00 1.00 O ATOM 385 CB VAL A 25 2.513 -12.135 2.731 1.00 1.00 C ATOM 386 CG1 VAL A 25 1.570 -13.340 2.641 1.00 1.00 C ATOM 387 CG2 VAL A 25 1.705 -10.841 2.582 1.00 1.00 C ATOM 0 H VAL A 25 3.222 -14.229 4.276 1.00 1.00 H new ATOM 0 HA VAL A 25 4.007 -11.371 4.097 1.00 1.00 H new ATOM 0 HB VAL A 25 3.253 -12.198 1.933 1.00 1.00 H new ATOM 0 HG11 VAL A 25 1.063 -13.334 1.676 1.00 1.00 H new ATOM 0 HG12 VAL A 25 2.145 -14.260 2.743 1.00 1.00 H new ATOM 0 HG13 VAL A 25 0.830 -13.284 3.440 1.00 1.00 H new ATOM 0 HG21 VAL A 25 1.195 -10.839 1.619 1.00 1.00 H new ATOM 0 HG22 VAL A 25 0.968 -10.778 3.383 1.00 1.00 H new ATOM 0 HG23 VAL A 25 2.376 -9.984 2.638 1.00 1.00 H new ATOM 397 N THR A 26 2.338 -10.639 5.774 1.00 1.00 N ATOM 398 CA THR A 26 1.427 -10.218 6.836 1.00 1.00 C ATOM 399 C THR A 26 1.090 -8.739 6.687 1.00 1.00 C ATOM 400 O THR A 26 1.903 -7.949 6.208 1.00 1.00 O ATOM 401 CB THR A 26 2.070 -10.487 8.211 1.00 1.00 C ATOM 402 OG1 THR A 26 3.474 -10.296 8.122 1.00 1.00 O ATOM 403 CG2 THR A 26 1.784 -11.923 8.649 1.00 1.00 C ATOM 0 H THR A 26 3.051 -9.951 5.532 1.00 1.00 H new ATOM 0 HA THR A 26 0.503 -10.791 6.760 1.00 1.00 H new ATOM 0 HB THR A 26 1.649 -9.797 8.942 1.00 1.00 H new ATOM 0 HG1 THR A 26 3.883 -10.465 8.996 1.00 1.00 H new ATOM 0 HG21 THR A 26 2.242 -12.105 9.621 1.00 1.00 H new ATOM 0 HG22 THR A 26 0.707 -12.074 8.721 1.00 1.00 H new ATOM 0 HG23 THR A 26 2.199 -12.616 7.917 1.00 1.00 H new ATOM 411 N ALA A 27 -0.119 -8.376 7.095 1.00 1.00 N ATOM 412 CA ALA A 27 -0.561 -6.992 7.004 1.00 1.00 C ATOM 413 C ALA A 27 0.122 -6.132 8.062 1.00 1.00 C ATOM 414 O ALA A 27 0.553 -5.012 7.790 1.00 1.00 O ATOM 415 CB ALA A 27 -2.079 -6.929 7.189 1.00 1.00 C ATOM 0 H ALA A 27 -0.807 -9.017 7.490 1.00 1.00 H new ATOM 0 HA ALA A 27 -0.292 -6.605 6.021 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -2.411 -5.893 7.121 1.00 1.00 H new ATOM 0 HB2 ALA A 27 -2.565 -7.518 6.411 1.00 1.00 H new ATOM 0 HB3 ALA A 27 -2.343 -7.331 8.167 1.00 1.00 H new ATOM 421 N ASP A 28 0.210 -6.658 9.274 1.00 1.00 N ATOM 422 CA ASP A 28 0.826 -5.925 10.367 1.00 1.00 C ATOM 423 C ASP A 28 2.341 -5.957 10.246 1.00 1.00 C ATOM 424 O ASP A 28 3.056 -5.699 11.216 1.00 1.00 O ATOM 425 CB ASP A 28 0.403 -6.525 11.711 1.00 1.00 C ATOM 426 CG ASP A 28 -1.084 -6.289 11.947 1.00 1.00 C ATOM 427 OD1 ASP A 28 -1.444 -5.159 12.235 1.00 1.00 O ATOM 428 OD2 ASP A 28 -1.842 -7.240 11.837 1.00 1.00 O ATOM 0 H ASP A 28 -0.135 -7.585 9.524 1.00 1.00 H new ATOM 0 HA ASP A 28 0.491 -4.889 10.315 1.00 1.00 H new ATOM 0 HB2 ASP A 28 0.616 -7.594 11.724 1.00 1.00 H new ATOM 0 HB3 ASP A 28 0.983 -6.075 12.517 1.00 1.00 H new ATOM 433 N SER A 29 2.828 -6.292 9.055 1.00 1.00 N ATOM 434 CA SER A 29 4.263 -6.368 8.824 1.00 1.00 C ATOM 435 C SER A 29 4.829 -5.005 8.450 1.00 1.00 C ATOM 436 O SER A 29 6.011 -4.884 8.132 1.00 1.00 O ATOM 437 CB SER A 29 4.560 -7.369 7.706 1.00 1.00 C ATOM 438 OG SER A 29 4.675 -6.678 6.468 1.00 1.00 O ATOM 0 H SER A 29 2.254 -6.513 8.242 1.00 1.00 H new ATOM 0 HA SER A 29 4.737 -6.699 9.748 1.00 1.00 H new ATOM 0 HB2 SER A 29 5.483 -7.907 7.921 1.00 1.00 H new ATOM 0 HB3 SER A 29 3.764 -8.112 7.648 1.00 1.00 H new ATOM 0 HG SER A 29 3.863 -6.820 5.938 1.00 1.00 H new ATOM 444 N GLU A 30 3.975 -3.990 8.483 1.00 1.00 N ATOM 445 CA GLU A 30 4.396 -2.636 8.145 1.00 1.00 C ATOM 446 C GLU A 30 4.992 -2.603 6.741 1.00 1.00 C ATOM 447 O GLU A 30 5.372 -3.640 6.193 1.00 1.00 O ATOM 448 CB GLU A 30 5.441 -2.149 9.152 1.00 1.00 C ATOM 449 CG GLU A 30 4.817 -2.083 10.546 1.00 1.00 C ATOM 450 CD GLU A 30 5.890 -1.792 11.586 1.00 1.00 C ATOM 451 OE1 GLU A 30 7.039 -1.655 11.201 1.00 1.00 O ATOM 452 OE2 GLU A 30 5.546 -1.708 12.754 1.00 1.00 O ATOM 0 H GLU A 30 2.992 -4.077 8.739 1.00 1.00 H new ATOM 0 HA GLU A 30 3.525 -1.982 8.179 1.00 1.00 H new ATOM 0 HB2 GLU A 30 6.298 -2.823 9.157 1.00 1.00 H new ATOM 0 HB3 GLU A 30 5.811 -1.166 8.861 1.00 1.00 H new ATOM 0 HG2 GLU A 30 4.052 -1.307 10.574 1.00 1.00 H new ATOM 0 HG3 GLU A 30 4.322 -3.027 10.777 1.00 1.00 H new ATOM 600 N THR A 41 7.453 6.203 -1.159 1.00 1.00 N ATOM 601 CA THR A 41 6.003 6.328 -1.069 1.00 1.00 C ATOM 602 C THR A 41 5.397 6.538 -2.450 1.00 1.00 C ATOM 603 O THR A 41 4.347 5.983 -2.763 1.00 1.00 O ATOM 604 CB THR A 41 5.630 7.500 -0.160 1.00 1.00 C ATOM 605 OG1 THR A 41 6.364 7.408 1.054 1.00 1.00 O ATOM 606 CG2 THR A 41 4.127 7.472 0.143 1.00 1.00 C ATOM 0 HA THR A 41 5.605 5.405 -0.647 1.00 1.00 H new ATOM 0 HB THR A 41 5.872 8.436 -0.664 1.00 1.00 H new ATOM 0 HG1 THR A 41 7.195 6.913 0.897 1.00 1.00 H new ATOM 0 HG21 THR A 41 3.871 8.310 0.791 1.00 1.00 H new ATOM 0 HG22 THR A 41 3.567 7.549 -0.789 1.00 1.00 H new ATOM 0 HG23 THR A 41 3.874 6.537 0.642 1.00 1.00 H new ATOM 614 N VAL A 42 6.062 7.342 -3.265 1.00 1.00 N ATOM 615 CA VAL A 42 5.578 7.617 -4.615 1.00 1.00 C ATOM 616 C VAL A 42 5.480 6.324 -5.426 1.00 1.00 C ATOM 617 O VAL A 42 4.539 6.119 -6.190 1.00 1.00 O ATOM 618 CB VAL A 42 6.533 8.595 -5.317 1.00 1.00 C ATOM 619 CG1 VAL A 42 6.123 10.042 -5.004 1.00 1.00 C ATOM 620 CG2 VAL A 42 7.963 8.357 -4.823 1.00 1.00 C ATOM 0 H VAL A 42 6.933 7.814 -3.021 1.00 1.00 H new ATOM 0 HA VAL A 42 4.585 8.061 -4.545 1.00 1.00 H new ATOM 0 HB VAL A 42 6.483 8.431 -6.393 1.00 1.00 H new ATOM 0 HG11 VAL A 42 6.804 10.730 -5.505 1.00 1.00 H new ATOM 0 HG12 VAL A 42 5.107 10.217 -5.357 1.00 1.00 H new ATOM 0 HG13 VAL A 42 6.167 10.208 -3.928 1.00 1.00 H new ATOM 0 HG21 VAL A 42 8.640 9.051 -5.321 1.00 1.00 H new ATOM 0 HG22 VAL A 42 8.007 8.517 -3.746 1.00 1.00 H new ATOM 0 HG23 VAL A 42 8.261 7.333 -5.050 1.00 1.00 H new ATOM 630 N GLU A 43 6.468 5.469 -5.274 1.00 1.00 N ATOM 631 CA GLU A 43 6.480 4.207 -6.002 1.00 1.00 C ATOM 632 C GLU A 43 5.415 3.258 -5.458 1.00 1.00 C ATOM 633 O GLU A 43 4.699 2.607 -6.219 1.00 1.00 O ATOM 634 CB GLU A 43 7.854 3.546 -5.884 1.00 1.00 C ATOM 635 CG GLU A 43 7.897 2.291 -6.759 1.00 1.00 C ATOM 636 CD GLU A 43 9.290 1.673 -6.715 1.00 1.00 C ATOM 637 OE1 GLU A 43 10.062 2.058 -5.852 1.00 1.00 O ATOM 638 OE2 GLU A 43 9.566 0.825 -7.548 1.00 1.00 O ATOM 0 H GLU A 43 7.269 5.617 -4.660 1.00 1.00 H new ATOM 0 HA GLU A 43 6.264 4.418 -7.049 1.00 1.00 H new ATOM 0 HB2 GLU A 43 8.632 4.244 -6.193 1.00 1.00 H new ATOM 0 HB3 GLU A 43 8.055 3.284 -4.845 1.00 1.00 H new ATOM 0 HG2 GLU A 43 7.159 1.569 -6.410 1.00 1.00 H new ATOM 0 HG3 GLU A 43 7.635 2.544 -7.786 1.00 1.00 H new ATOM 645 N ILE A 44 5.327 3.172 -4.134 1.00 1.00 N ATOM 646 CA ILE A 44 4.354 2.289 -3.497 1.00 1.00 C ATOM 647 C ILE A 44 2.928 2.771 -3.716 1.00 1.00 C ATOM 648 O ILE A 44 2.049 1.991 -4.073 1.00 1.00 O ATOM 649 CB ILE A 44 4.631 2.206 -1.993 1.00 1.00 C ATOM 650 CG1 ILE A 44 6.088 1.788 -1.758 1.00 1.00 C ATOM 651 CG2 ILE A 44 3.702 1.179 -1.353 1.00 1.00 C ATOM 652 CD1 ILE A 44 6.383 0.438 -2.424 1.00 1.00 C ATOM 0 H ILE A 44 5.912 3.698 -3.485 1.00 1.00 H new ATOM 0 HA ILE A 44 4.456 1.304 -3.953 1.00 1.00 H new ATOM 0 HB ILE A 44 4.455 3.184 -1.544 1.00 1.00 H new ATOM 0 HG12 ILE A 44 6.758 2.549 -2.157 1.00 1.00 H new ATOM 0 HG13 ILE A 44 6.283 1.721 -0.688 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.903 1.124 -0.283 1.00 1.00 H new ATOM 0 HG22 ILE A 44 2.666 1.476 -1.513 1.00 1.00 H new ATOM 0 HG23 ILE A 44 3.873 0.202 -1.805 1.00 1.00 H new ATOM 0 HD11 ILE A 44 7.422 0.163 -2.244 1.00 1.00 H new ATOM 0 HD12 ILE A 44 5.727 -0.325 -2.005 1.00 1.00 H new ATOM 0 HD13 ILE A 44 6.209 0.516 -3.497 1.00 1.00 H new ATOM 664 N VAL A 45 2.702 4.057 -3.490 1.00 1.00 N ATOM 665 CA VAL A 45 1.368 4.624 -3.648 1.00 1.00 C ATOM 666 C VAL A 45 0.882 4.469 -5.083 1.00 1.00 C ATOM 667 O VAL A 45 -0.276 4.130 -5.326 1.00 1.00 O ATOM 668 CB VAL A 45 1.384 6.107 -3.262 1.00 1.00 C ATOM 669 CG1 VAL A 45 2.102 6.915 -4.336 1.00 1.00 C ATOM 670 CG2 VAL A 45 -0.048 6.610 -3.117 1.00 1.00 C ATOM 0 H VAL A 45 3.417 4.724 -3.199 1.00 1.00 H new ATOM 0 HA VAL A 45 0.684 4.086 -2.992 1.00 1.00 H new ATOM 0 HB VAL A 45 1.910 6.225 -2.315 1.00 1.00 H new ATOM 0 HG11 VAL A 45 2.109 7.968 -4.055 1.00 1.00 H new ATOM 0 HG12 VAL A 45 3.127 6.559 -4.435 1.00 1.00 H new ATOM 0 HG13 VAL A 45 1.584 6.797 -5.288 1.00 1.00 H new ATOM 0 HG21 VAL A 45 -0.037 7.665 -2.842 1.00 1.00 H new ATOM 0 HG22 VAL A 45 -0.574 6.487 -4.063 1.00 1.00 H new ATOM 0 HG23 VAL A 45 -0.558 6.038 -2.341 1.00 1.00 H new ATOM 680 N MET A 46 1.773 4.717 -6.031 1.00 1.00 N ATOM 681 CA MET A 46 1.421 4.606 -7.437 1.00 1.00 C ATOM 682 C MET A 46 1.006 3.182 -7.775 1.00 1.00 C ATOM 683 O MET A 46 0.072 2.970 -8.546 1.00 1.00 O ATOM 684 CB MET A 46 2.620 5.025 -8.308 1.00 1.00 C ATOM 685 CG MET A 46 2.701 6.573 -8.429 1.00 1.00 C ATOM 686 SD MET A 46 2.209 7.079 -10.100 1.00 1.00 S ATOM 687 CE MET A 46 0.467 6.596 -9.984 1.00 1.00 C ATOM 0 H MET A 46 2.738 4.995 -5.854 1.00 1.00 H new ATOM 0 HA MET A 46 0.579 5.268 -7.639 1.00 1.00 H new ATOM 0 HB2 MET A 46 3.543 4.641 -7.873 1.00 1.00 H new ATOM 0 HB3 MET A 46 2.527 4.583 -9.300 1.00 1.00 H new ATOM 0 HG2 MET A 46 2.050 7.040 -7.690 1.00 1.00 H new ATOM 0 HG3 MET A 46 3.716 6.912 -8.219 1.00 1.00 H new ATOM 0 HE1 MET A 46 -0.079 6.996 -10.838 1.00 1.00 H new ATOM 0 HE2 MET A 46 0.390 5.509 -9.981 1.00 1.00 H new ATOM 0 HE3 MET A 46 0.040 6.993 -9.063 1.00 1.00 H new ATOM 697 N ASN A 47 1.702 2.211 -7.200 1.00 1.00 N ATOM 698 CA ASN A 47 1.387 0.817 -7.461 1.00 1.00 C ATOM 699 C ASN A 47 -0.026 0.492 -6.986 1.00 1.00 C ATOM 700 O ASN A 47 -0.807 -0.124 -7.708 1.00 1.00 O ATOM 701 CB ASN A 47 2.413 -0.072 -6.740 1.00 1.00 C ATOM 702 CG ASN A 47 3.673 -0.209 -7.582 1.00 1.00 C ATOM 703 OD1 ASN A 47 4.472 0.724 -7.669 1.00 1.00 O ATOM 704 ND2 ASN A 47 3.891 -1.325 -8.219 1.00 1.00 N ATOM 0 H ASN A 47 2.479 2.362 -6.557 1.00 1.00 H new ATOM 0 HA ASN A 47 1.434 0.629 -8.534 1.00 1.00 H new ATOM 0 HB2 ASN A 47 2.660 0.359 -5.770 1.00 1.00 H new ATOM 0 HB3 ASN A 47 1.984 -1.056 -6.552 1.00 1.00 H new ATOM 0 HD21 ASN A 47 4.727 -1.429 -8.794 1.00 1.00 H new ATOM 0 HD22 ASN A 47 3.225 -2.094 -8.143 1.00 1.00 H new ATOM 711 N LEU A 48 -0.350 0.919 -5.774 1.00 1.00 N ATOM 712 CA LEU A 48 -1.678 0.670 -5.218 1.00 1.00 C ATOM 713 C LEU A 48 -2.734 1.437 -5.994 1.00 1.00 C ATOM 714 O LEU A 48 -3.794 0.900 -6.311 1.00 1.00 O ATOM 715 CB LEU A 48 -1.708 1.089 -3.743 1.00 1.00 C ATOM 716 CG LEU A 48 -0.543 0.428 -2.989 1.00 1.00 C ATOM 717 CD1 LEU A 48 -0.301 1.160 -1.675 1.00 1.00 C ATOM 718 CD2 LEU A 48 -0.886 -1.032 -2.682 1.00 1.00 C ATOM 0 H LEU A 48 0.280 1.435 -5.159 1.00 1.00 H new ATOM 0 HA LEU A 48 -1.896 -0.395 -5.297 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -1.636 2.174 -3.662 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -2.657 0.798 -3.292 1.00 1.00 H new ATOM 0 HG LEU A 48 0.351 0.475 -3.611 1.00 1.00 H new ATOM 0 HD11 LEU A 48 0.525 0.689 -1.143 1.00 1.00 H new ATOM 0 HD12 LEU A 48 -0.054 2.202 -1.879 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -1.201 1.114 -1.062 1.00 1.00 H new ATOM 0 HD21 LEU A 48 -0.057 -1.496 -2.148 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -1.784 -1.073 -2.065 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -1.062 -1.568 -3.615 1.00 1.00 H new ATOM 730 N GLU A 49 -2.435 2.692 -6.304 1.00 1.00 N ATOM 731 CA GLU A 49 -3.363 3.523 -7.049 1.00 1.00 C ATOM 732 C GLU A 49 -3.505 2.999 -8.476 1.00 1.00 C ATOM 733 O GLU A 49 -4.598 3.004 -9.043 1.00 1.00 O ATOM 734 CB GLU A 49 -2.867 4.970 -7.080 1.00 1.00 C ATOM 735 CG GLU A 49 -3.935 5.865 -7.715 1.00 1.00 C ATOM 736 CD GLU A 49 -3.431 7.302 -7.787 1.00 1.00 C ATOM 737 OE1 GLU A 49 -2.260 7.512 -7.520 1.00 1.00 O ATOM 738 OE2 GLU A 49 -4.222 8.172 -8.108 1.00 1.00 O ATOM 0 H GLU A 49 -1.561 3.152 -6.051 1.00 1.00 H new ATOM 0 HA GLU A 49 -4.335 3.489 -6.556 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -2.646 5.311 -6.069 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -1.939 5.035 -7.648 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -4.177 5.505 -8.715 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -4.854 5.821 -7.130 1.00 1.00 H new ATOM 745 N GLU A 50 -2.391 2.551 -9.050 1.00 1.00 N ATOM 746 CA GLU A 50 -2.404 2.026 -10.409 1.00 1.00 C ATOM 747 C GLU A 50 -3.080 0.657 -10.449 1.00 1.00 C ATOM 748 O GLU A 50 -3.867 0.371 -11.353 1.00 1.00 O ATOM 749 CB GLU A 50 -0.972 1.905 -10.937 1.00 1.00 C ATOM 750 CG GLU A 50 -1.002 1.499 -12.412 1.00 1.00 C ATOM 751 CD GLU A 50 0.418 1.400 -12.955 1.00 1.00 C ATOM 752 OE1 GLU A 50 1.340 1.422 -12.157 1.00 1.00 O ATOM 753 OE2 GLU A 50 0.563 1.303 -14.164 1.00 1.00 O ATOM 0 H GLU A 50 -1.476 2.541 -8.598 1.00 1.00 H new ATOM 0 HA GLU A 50 -2.966 2.715 -11.039 1.00 1.00 H new ATOM 0 HB2 GLU A 50 -0.449 2.855 -10.821 1.00 1.00 H new ATOM 0 HB3 GLU A 50 -0.421 1.165 -10.357 1.00 1.00 H new ATOM 0 HG2 GLU A 50 -1.510 0.541 -12.524 1.00 1.00 H new ATOM 0 HG3 GLU A 50 -1.570 2.230 -12.987 1.00 1.00 H new ATOM 760 N GLU A 51 -2.765 -0.186 -9.467 1.00 1.00 N ATOM 761 CA GLU A 51 -3.347 -1.521 -9.408 1.00 1.00 C ATOM 762 C GLU A 51 -4.863 -1.435 -9.274 1.00 1.00 C ATOM 763 O GLU A 51 -5.598 -2.016 -10.072 1.00 1.00 O ATOM 764 CB GLU A 51 -2.771 -2.283 -8.213 1.00 1.00 C ATOM 765 CG GLU A 51 -3.220 -3.746 -8.269 1.00 1.00 C ATOM 766 CD GLU A 51 -2.526 -4.458 -9.424 1.00 1.00 C ATOM 767 OE1 GLU A 51 -1.638 -3.862 -10.014 1.00 1.00 O ATOM 768 OE2 GLU A 51 -2.892 -5.586 -9.705 1.00 1.00 O ATOM 0 H GLU A 51 -2.117 0.030 -8.710 1.00 1.00 H new ATOM 0 HA GLU A 51 -3.104 -2.049 -10.330 1.00 1.00 H new ATOM 0 HB2 GLU A 51 -1.683 -2.226 -8.223 1.00 1.00 H new ATOM 0 HB3 GLU A 51 -3.105 -1.825 -7.282 1.00 1.00 H new ATOM 0 HG2 GLU A 51 -2.984 -4.244 -7.329 1.00 1.00 H new ATOM 0 HG3 GLU A 51 -4.301 -3.799 -8.395 1.00 1.00 H new ATOM 775 N PHE A 52 -5.326 -0.701 -8.265 1.00 1.00 N ATOM 776 CA PHE A 52 -6.761 -0.544 -8.045 1.00 1.00 C ATOM 777 C PHE A 52 -7.326 0.536 -8.964 1.00 1.00 C ATOM 778 O PHE A 52 -8.541 0.720 -9.047 1.00 1.00 O ATOM 779 CB PHE A 52 -7.025 -0.177 -6.582 1.00 1.00 C ATOM 780 CG PHE A 52 -6.916 -1.411 -5.722 1.00 1.00 C ATOM 781 CD1 PHE A 52 -7.979 -2.322 -5.680 1.00 1.00 C ATOM 782 CD2 PHE A 52 -5.759 -1.645 -4.971 1.00 1.00 C ATOM 783 CE1 PHE A 52 -7.885 -3.465 -4.885 1.00 1.00 C ATOM 784 CE2 PHE A 52 -5.667 -2.790 -4.177 1.00 1.00 C ATOM 785 CZ PHE A 52 -6.732 -3.698 -4.135 1.00 1.00 C ATOM 0 H PHE A 52 -4.736 -0.210 -7.593 1.00 1.00 H new ATOM 0 HA PHE A 52 -7.256 -1.488 -8.273 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -6.308 0.574 -6.250 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -8.017 0.263 -6.480 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -8.870 -2.140 -6.262 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -4.940 -0.942 -5.005 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -8.704 -4.168 -4.850 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -4.776 -2.975 -3.596 1.00 1.00 H new ATOM 0 HZ PHE A 52 -6.661 -4.582 -3.519 1.00 1.00 H new ATOM 795 N GLY A 53 -6.439 1.238 -9.659 1.00 1.00 N ATOM 796 CA GLY A 53 -6.864 2.287 -10.578 1.00 1.00 C ATOM 797 C GLY A 53 -7.717 3.326 -9.862 1.00 1.00 C ATOM 798 O GLY A 53 -8.607 3.928 -10.459 1.00 1.00 O ATOM 0 H GLY A 53 -5.430 1.102 -9.605 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -5.990 2.768 -11.016 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -7.431 1.849 -11.399 1.00 1.00 H new ATOM 802 N ILE A 54 -7.441 3.533 -8.579 1.00 1.00 N ATOM 803 CA ILE A 54 -8.193 4.504 -7.788 1.00 1.00 C ATOM 804 C ILE A 54 -7.492 5.852 -7.799 1.00 1.00 C ATOM 805 O ILE A 54 -6.615 6.094 -8.626 1.00 1.00 O ATOM 806 CB ILE A 54 -8.338 4.000 -6.351 1.00 1.00 C ATOM 807 CG1 ILE A 54 -6.946 3.708 -5.770 1.00 1.00 C ATOM 808 CG2 ILE A 54 -9.201 2.722 -6.330 1.00 1.00 C ATOM 809 CD1 ILE A 54 -7.057 3.386 -4.281 1.00 1.00 C ATOM 0 H ILE A 54 -6.707 3.045 -8.066 1.00 1.00 H new ATOM 0 HA ILE A 54 -9.183 4.624 -8.227 1.00 1.00 H new ATOM 0 HB ILE A 54 -8.826 4.763 -5.745 1.00 1.00 H new ATOM 0 HG12 ILE A 54 -6.491 2.870 -6.298 1.00 1.00 H new ATOM 0 HG13 ILE A 54 -6.294 4.569 -5.916 1.00 1.00 H new ATOM 0 HG21 ILE A 54 -9.301 2.367 -5.304 1.00 1.00 H new ATOM 0 HG22 ILE A 54 -10.188 2.943 -6.735 1.00 1.00 H new ATOM 0 HG23 ILE A 54 -8.724 1.951 -6.936 1.00 1.00 H new ATOM 0 HD11 ILE A 54 -6.065 3.180 -3.878 1.00 1.00 H new ATOM 0 HD12 ILE A 54 -7.493 4.236 -3.756 1.00 1.00 H new ATOM 0 HD13 ILE A 54 -7.693 2.511 -4.144 1.00 1.00 H new ATOM 821 N ASN A 55 -7.886 6.730 -6.879 1.00 1.00 N ATOM 822 CA ASN A 55 -7.289 8.061 -6.785 1.00 1.00 C ATOM 823 C ASN A 55 -6.765 8.305 -5.377 1.00 1.00 C ATOM 824 O ASN A 55 -7.541 8.455 -4.434 1.00 1.00 O ATOM 825 CB ASN A 55 -8.330 9.122 -7.138 1.00 1.00 C ATOM 826 CG ASN A 55 -9.421 9.165 -6.073 1.00 1.00 C ATOM 827 OD1 ASN A 55 -9.829 10.244 -5.646 1.00 1.00 O ATOM 828 ND2 ASN A 55 -9.910 8.049 -5.611 1.00 1.00 N ATOM 0 H ASN A 55 -8.614 6.545 -6.189 1.00 1.00 H new ATOM 0 HA ASN A 55 -6.458 8.123 -7.487 1.00 1.00 H new ATOM 0 HB2 ASN A 55 -7.852 10.098 -7.219 1.00 1.00 H new ATOM 0 HB3 ASN A 55 -8.770 8.901 -8.111 1.00 1.00 H new ATOM 0 HD21 ASN A 55 -10.634 8.068 -4.893 1.00 1.00 H new ATOM 0 HD22 ASN A 55 -9.569 7.156 -5.968 1.00 1.00 H new ATOM 835 N VAL A 56 -5.441 8.347 -5.240 1.00 1.00 N ATOM 836 CA VAL A 56 -4.821 8.578 -3.935 1.00 1.00 C ATOM 837 C VAL A 56 -4.052 9.894 -3.949 1.00 1.00 C ATOM 838 O VAL A 56 -3.236 10.141 -4.839 1.00 1.00 O ATOM 839 CB VAL A 56 -3.861 7.430 -3.601 1.00 1.00 C ATOM 840 CG1 VAL A 56 -3.086 7.767 -2.321 1.00 1.00 C ATOM 841 CG2 VAL A 56 -4.658 6.131 -3.399 1.00 1.00 C ATOM 0 H VAL A 56 -4.781 8.225 -6.008 1.00 1.00 H new ATOM 0 HA VAL A 56 -5.604 8.626 -3.178 1.00 1.00 H new ATOM 0 HB VAL A 56 -3.158 7.294 -4.423 1.00 1.00 H new ATOM 0 HG11 VAL A 56 -2.404 6.951 -2.083 1.00 1.00 H new ATOM 0 HG12 VAL A 56 -2.517 8.684 -2.471 1.00 1.00 H new ATOM 0 HG13 VAL A 56 -3.786 7.906 -1.497 1.00 1.00 H new ATOM 0 HG21 VAL A 56 -3.973 5.317 -3.162 1.00 1.00 H new ATOM 0 HG22 VAL A 56 -5.364 6.261 -2.579 1.00 1.00 H new ATOM 0 HG23 VAL A 56 -5.202 5.892 -4.313 1.00 1.00 H new ATOM 851 N ASP A 57 -4.317 10.733 -2.954 1.00 1.00 N ATOM 852 CA ASP A 57 -3.646 12.028 -2.847 1.00 1.00 C ATOM 853 C ASP A 57 -2.384 11.904 -2.000 1.00 1.00 C ATOM 854 O ASP A 57 -2.299 11.051 -1.117 1.00 1.00 O ATOM 855 CB ASP A 57 -4.589 13.053 -2.218 1.00 1.00 C ATOM 856 CG ASP A 57 -5.687 13.428 -3.210 1.00 1.00 C ATOM 857 OD1 ASP A 57 -5.538 13.111 -4.379 1.00 1.00 O ATOM 858 OD2 ASP A 57 -6.661 14.027 -2.784 1.00 1.00 O ATOM 0 H ASP A 57 -4.989 10.543 -2.211 1.00 1.00 H new ATOM 0 HA ASP A 57 -3.368 12.359 -3.848 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -5.032 12.643 -1.310 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -4.031 13.943 -1.927 1.00 1.00 H new ATOM 863 N GLU A 58 -1.410 12.762 -2.273 1.00 1.00 N ATOM 864 CA GLU A 58 -0.155 12.739 -1.531 1.00 1.00 C ATOM 865 C GLU A 58 -0.413 12.960 -0.046 1.00 1.00 C ATOM 866 O GLU A 58 0.212 12.323 0.798 1.00 1.00 O ATOM 867 CB GLU A 58 0.780 13.833 -2.058 1.00 1.00 C ATOM 868 CG GLU A 58 1.162 13.535 -3.517 1.00 1.00 C ATOM 869 CD GLU A 58 0.055 14.002 -4.459 1.00 1.00 C ATOM 870 OE1 GLU A 58 -0.973 14.434 -3.966 1.00 1.00 O ATOM 871 OE2 GLU A 58 0.252 13.917 -5.660 1.00 1.00 O ATOM 0 H GLU A 58 -1.463 13.478 -2.997 1.00 1.00 H new ATOM 0 HA GLU A 58 0.313 11.764 -1.667 1.00 1.00 H new ATOM 0 HB2 GLU A 58 0.291 14.805 -1.992 1.00 1.00 H new ATOM 0 HB3 GLU A 58 1.677 13.885 -1.441 1.00 1.00 H new ATOM 0 HG2 GLU A 58 2.097 14.038 -3.766 1.00 1.00 H new ATOM 0 HG3 GLU A 58 1.331 12.466 -3.645 1.00 1.00 H new ATOM 878 N ASP A 59 -1.341 13.855 0.262 1.00 1.00 N ATOM 879 CA ASP A 59 -1.674 14.145 1.651 1.00 1.00 C ATOM 880 C ASP A 59 -2.233 12.901 2.326 1.00 1.00 C ATOM 881 O ASP A 59 -2.019 12.678 3.514 1.00 1.00 O ATOM 882 CB ASP A 59 -2.703 15.273 1.716 1.00 1.00 C ATOM 883 CG ASP A 59 -2.044 16.603 1.362 1.00 1.00 C ATOM 884 OD1 ASP A 59 -0.827 16.671 1.405 1.00 1.00 O ATOM 885 OD2 ASP A 59 -2.768 17.534 1.050 1.00 1.00 O ATOM 0 H ASP A 59 -1.873 14.390 -0.424 1.00 1.00 H new ATOM 0 HA ASP A 59 -0.768 14.455 2.172 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -3.522 15.069 1.027 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -3.134 15.326 2.716 1.00 1.00 H new ATOM 890 N LYS A 60 -2.959 12.097 1.562 1.00 1.00 N ATOM 891 CA LYS A 60 -3.546 10.877 2.095 1.00 1.00 C ATOM 892 C LYS A 60 -2.498 9.782 2.222 1.00 1.00 C ATOM 893 O LYS A 60 -2.589 8.921 3.092 1.00 1.00 O ATOM 894 CB LYS A 60 -4.682 10.394 1.189 1.00 1.00 C ATOM 895 CG LYS A 60 -5.552 9.368 1.945 1.00 1.00 C ATOM 896 CD LYS A 60 -6.661 10.095 2.711 1.00 1.00 C ATOM 897 CE LYS A 60 -7.500 9.079 3.482 1.00 1.00 C ATOM 898 NZ LYS A 60 -8.554 9.793 4.253 1.00 1.00 N ATOM 0 H LYS A 60 -3.155 12.267 0.575 1.00 1.00 H new ATOM 0 HA LYS A 60 -3.943 11.100 3.085 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -5.293 11.240 0.873 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -4.272 9.942 0.286 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -5.988 8.658 1.242 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -4.936 8.794 2.637 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -6.227 10.820 3.399 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -7.292 10.651 2.018 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -7.956 8.369 2.792 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -6.866 8.505 4.157 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -9.127 9.103 4.779 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -8.108 10.454 4.921 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -9.165 10.322 3.598 1.00 1.00 H new ATOM 912 N ALA A 61 -1.509 9.815 1.334 1.00 1.00 N ATOM 913 CA ALA A 61 -0.443 8.814 1.338 1.00 1.00 C ATOM 914 C ALA A 61 0.834 9.392 1.922 1.00 1.00 C ATOM 915 O ALA A 61 1.915 9.189 1.381 1.00 1.00 O ATOM 916 CB ALA A 61 -0.177 8.338 -0.089 1.00 1.00 C ATOM 0 H ALA A 61 -1.422 10.521 0.603 1.00 1.00 H new ATOM 0 HA ALA A 61 -0.762 7.973 1.954 1.00 1.00 H new ATOM 0 HB1 ALA A 61 0.618 7.592 -0.082 1.00 1.00 H new ATOM 0 HB2 ALA A 61 -1.085 7.897 -0.500 1.00 1.00 H new ATOM 0 HB3 ALA A 61 0.126 9.185 -0.705 1.00 1.00 H new ATOM 922 N GLN A 62 0.703 10.119 3.028 1.00 1.00 N ATOM 923 CA GLN A 62 1.864 10.727 3.689 1.00 1.00 C ATOM 924 C GLN A 62 2.021 10.191 5.109 1.00 1.00 C ATOM 925 O GLN A 62 3.134 10.065 5.612 1.00 1.00 O ATOM 926 CB GLN A 62 1.692 12.244 3.729 1.00 1.00 C ATOM 927 CG GLN A 62 0.522 12.611 4.660 1.00 1.00 C ATOM 928 CD GLN A 62 1.025 12.829 6.084 1.00 1.00 C ATOM 929 OE1 GLN A 62 2.169 12.501 6.394 1.00 1.00 O ATOM 930 NE2 GLN A 62 0.237 13.370 6.969 1.00 1.00 N ATOM 0 H GLN A 62 -0.189 10.303 3.487 1.00 1.00 H new ATOM 0 HA GLN A 62 2.760 10.472 3.122 1.00 1.00 H new ATOM 0 HB2 GLN A 62 2.610 12.714 4.081 1.00 1.00 H new ATOM 0 HB3 GLN A 62 1.503 12.625 2.725 1.00 1.00 H new ATOM 0 HG2 GLN A 62 0.031 13.514 4.299 1.00 1.00 H new ATOM 0 HG3 GLN A 62 -0.224 11.816 4.648 1.00 1.00 H new ATOM 0 HE21 GLN A 62 -0.711 13.641 6.709 1.00 1.00 H new ATOM 0 HE22 GLN A 62 0.568 13.522 7.922 1.00 1.00 H new ATOM 939 N ASP A 63 0.894 9.888 5.754 1.00 1.00 N ATOM 940 CA ASP A 63 0.906 9.370 7.123 1.00 1.00 C ATOM 941 C ASP A 63 0.007 8.148 7.256 1.00 1.00 C ATOM 942 O ASP A 63 -0.819 8.070 8.166 1.00 1.00 O ATOM 943 CB ASP A 63 0.440 10.456 8.089 1.00 1.00 C ATOM 944 CG ASP A 63 -0.898 11.027 7.633 1.00 1.00 C ATOM 945 OD1 ASP A 63 -1.347 10.647 6.563 1.00 1.00 O ATOM 946 OD2 ASP A 63 -1.454 11.834 8.357 1.00 1.00 O ATOM 0 H ASP A 63 -0.037 9.992 5.352 1.00 1.00 H new ATOM 0 HA ASP A 63 1.926 9.073 7.366 1.00 1.00 H new ATOM 0 HB2 ASP A 63 0.344 10.043 9.093 1.00 1.00 H new ATOM 0 HB3 ASP A 63 1.184 11.251 8.141 1.00 1.00 H new ATOM 951 N ILE A 64 0.177 7.192 6.348 1.00 1.00 N ATOM 952 CA ILE A 64 -0.619 5.964 6.372 1.00 1.00 C ATOM 953 C ILE A 64 0.059 4.902 7.222 1.00 1.00 C ATOM 954 O ILE A 64 1.260 4.661 7.094 1.00 1.00 O ATOM 955 CB ILE A 64 -0.817 5.438 4.953 1.00 1.00 C ATOM 956 CG1 ILE A 64 -1.575 6.485 4.127 1.00 1.00 C ATOM 957 CG2 ILE A 64 -1.614 4.139 4.990 1.00 1.00 C ATOM 958 CD1 ILE A 64 -2.971 6.764 4.727 1.00 1.00 C ATOM 0 H ILE A 64 0.856 7.241 5.588 1.00 1.00 H new ATOM 0 HA ILE A 64 -1.591 6.195 6.809 1.00 1.00 H new ATOM 0 HB ILE A 64 0.155 5.246 4.498 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -1.000 7.410 4.091 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -1.681 6.135 3.100 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -1.752 3.768 3.974 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -1.073 3.397 5.577 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -2.587 4.322 5.445 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -3.485 7.510 4.121 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -3.553 5.842 4.739 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -2.861 7.137 5.745 1.00 1.00 H new ATOM 970 N SER A 65 -0.719 4.271 8.090 1.00 1.00 N ATOM 971 CA SER A 65 -0.188 3.232 8.963 1.00 1.00 C ATOM 972 C SER A 65 0.267 2.034 8.130 1.00 1.00 C ATOM 973 O SER A 65 0.324 2.105 6.904 1.00 1.00 O ATOM 974 CB SER A 65 -1.251 2.786 9.981 1.00 1.00 C ATOM 975 OG SER A 65 -1.618 1.436 9.729 1.00 1.00 O ATOM 0 H SER A 65 -1.715 4.458 8.209 1.00 1.00 H new ATOM 0 HA SER A 65 0.665 3.638 9.506 1.00 1.00 H new ATOM 0 HB2 SER A 65 -0.862 2.884 10.994 1.00 1.00 H new ATOM 0 HB3 SER A 65 -2.127 3.430 9.912 1.00 1.00 H new ATOM 0 HG SER A 65 -2.246 1.134 10.418 1.00 1.00 H new ATOM 981 N THR A 66 0.594 0.942 8.813 1.00 1.00 N ATOM 982 CA THR A 66 1.037 -0.274 8.139 1.00 1.00 C ATOM 983 C THR A 66 0.076 -0.647 7.012 1.00 1.00 C ATOM 984 O THR A 66 -0.835 0.108 6.680 1.00 1.00 O ATOM 985 CB THR A 66 1.108 -1.429 9.143 1.00 1.00 C ATOM 986 OG1 THR A 66 1.297 -2.652 8.445 1.00 1.00 O ATOM 987 CG2 THR A 66 -0.190 -1.509 9.961 1.00 1.00 C ATOM 0 H THR A 66 0.561 0.874 9.830 1.00 1.00 H new ATOM 0 HA THR A 66 2.025 -0.090 7.716 1.00 1.00 H new ATOM 0 HB THR A 66 1.944 -1.254 9.820 1.00 1.00 H new ATOM 0 HG1 THR A 66 0.503 -3.216 8.552 1.00 1.00 H new ATOM 0 HG21 THR A 66 -0.123 -2.335 10.669 1.00 1.00 H new ATOM 0 HG22 THR A 66 -0.336 -0.575 10.504 1.00 1.00 H new ATOM 0 HG23 THR A 66 -1.033 -1.674 9.290 1.00 1.00 H new ATOM 995 N ILE A 67 0.291 -1.815 6.422 1.00 1.00 N ATOM 996 CA ILE A 67 -0.554 -2.270 5.329 1.00 1.00 C ATOM 997 C ILE A 67 -2.013 -2.378 5.767 1.00 1.00 C ATOM 998 O ILE A 67 -2.925 -2.283 4.944 1.00 1.00 O ATOM 999 CB ILE A 67 -0.067 -3.632 4.817 1.00 1.00 C ATOM 1000 CG1 ILE A 67 1.299 -3.459 4.140 1.00 1.00 C ATOM 1001 CG2 ILE A 67 -1.076 -4.198 3.818 1.00 1.00 C ATOM 1002 CD1 ILE A 67 1.920 -4.838 3.904 1.00 1.00 C ATOM 0 H ILE A 67 1.038 -2.460 6.680 1.00 1.00 H new ATOM 0 HA ILE A 67 -0.489 -1.535 4.527 1.00 1.00 H new ATOM 0 HB ILE A 67 0.029 -4.324 5.653 1.00 1.00 H new ATOM 0 HG12 ILE A 67 1.185 -2.931 3.193 1.00 1.00 H new ATOM 0 HG13 ILE A 67 1.955 -2.854 4.766 1.00 1.00 H new ATOM 0 HG21 ILE A 67 -0.727 -5.165 3.457 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -2.042 -4.321 4.307 1.00 1.00 H new ATOM 0 HG23 ILE A 67 -1.179 -3.512 2.977 1.00 1.00 H new ATOM 0 HD11 ILE A 67 2.891 -4.722 3.423 1.00 1.00 H new ATOM 0 HD12 ILE A 67 2.047 -5.348 4.859 1.00 1.00 H new ATOM 0 HD13 ILE A 67 1.265 -5.427 3.262 1.00 1.00 H new ATOM 1014 N GLN A 68 -2.227 -2.580 7.059 1.00 1.00 N ATOM 1015 CA GLN A 68 -3.581 -2.706 7.581 1.00 1.00 C ATOM 1016 C GLN A 68 -4.396 -1.451 7.290 1.00 1.00 C ATOM 1017 O GLN A 68 -5.530 -1.538 6.819 1.00 1.00 O ATOM 1018 CB GLN A 68 -3.530 -2.944 9.094 1.00 1.00 C ATOM 1019 CG GLN A 68 -3.043 -4.367 9.376 1.00 1.00 C ATOM 1020 CD GLN A 68 -4.191 -5.356 9.191 1.00 1.00 C ATOM 1021 OE1 GLN A 68 -4.815 -5.772 10.167 1.00 1.00 O ATOM 1022 NE2 GLN A 68 -4.521 -5.745 7.991 1.00 1.00 N ATOM 0 H GLN A 68 -1.490 -2.660 7.759 1.00 1.00 H new ATOM 0 HA GLN A 68 -4.061 -3.552 7.090 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -2.863 -2.221 9.563 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -4.518 -2.795 9.529 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -2.222 -4.619 8.704 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -2.655 -4.433 10.392 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -4.003 -5.400 7.183 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -5.297 -6.394 7.861 1.00 1.00 H new ATOM 1031 N GLN A 69 -3.820 -0.286 7.569 1.00 1.00 N ATOM 1032 CA GLN A 69 -4.511 0.963 7.325 1.00 1.00 C ATOM 1033 C GLN A 69 -4.591 1.256 5.836 1.00 1.00 C ATOM 1034 O GLN A 69 -5.613 1.721 5.344 1.00 1.00 O ATOM 1035 CB GLN A 69 -3.775 2.098 8.030 1.00 1.00 C ATOM 1036 CG GLN A 69 -4.498 3.415 7.818 1.00 1.00 C ATOM 1037 CD GLN A 69 -5.882 3.355 8.450 1.00 1.00 C ATOM 1038 OE1 GLN A 69 -6.057 2.752 9.509 1.00 1.00 O ATOM 1039 NE2 GLN A 69 -6.877 3.947 7.860 1.00 1.00 N ATOM 0 H GLN A 69 -2.884 -0.187 7.961 1.00 1.00 H new ATOM 0 HA GLN A 69 -5.525 0.880 7.715 1.00 1.00 H new ATOM 0 HB2 GLN A 69 -3.702 1.884 9.096 1.00 1.00 H new ATOM 0 HB3 GLN A 69 -2.756 2.170 7.649 1.00 1.00 H new ATOM 0 HG2 GLN A 69 -3.923 4.230 8.258 1.00 1.00 H new ATOM 0 HG3 GLN A 69 -4.584 3.625 6.752 1.00 1.00 H new ATOM 0 HE21 GLN A 69 -6.726 4.445 6.983 1.00 1.00 H new ATOM 0 HE22 GLN A 69 -7.809 3.914 8.274 1.00 1.00 H new ATOM 1048 N ALA A 70 -3.504 0.995 5.127 1.00 1.00 N ATOM 1049 CA ALA A 70 -3.461 1.259 3.693 1.00 1.00 C ATOM 1050 C ALA A 70 -4.601 0.547 2.982 1.00 1.00 C ATOM 1051 O ALA A 70 -5.239 1.111 2.093 1.00 1.00 O ATOM 1052 CB ALA A 70 -2.126 0.787 3.116 1.00 1.00 C ATOM 0 H ALA A 70 -2.645 0.604 5.515 1.00 1.00 H new ATOM 0 HA ALA A 70 -3.566 2.333 3.538 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -2.101 0.987 2.045 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -1.310 1.320 3.604 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -2.014 -0.284 3.287 1.00 1.00 H new ATOM 1058 N ALA A 71 -4.856 -0.688 3.381 1.00 1.00 N ATOM 1059 CA ALA A 71 -5.930 -1.464 2.777 1.00 1.00 C ATOM 1060 C ALA A 71 -7.279 -0.806 3.043 1.00 1.00 C ATOM 1061 O ALA A 71 -8.161 -0.811 2.185 1.00 1.00 O ATOM 1062 CB ALA A 71 -5.927 -2.878 3.353 1.00 1.00 C ATOM 0 H ALA A 71 -4.339 -1.173 4.115 1.00 1.00 H new ATOM 0 HA ALA A 71 -5.768 -1.507 1.700 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -6.731 -3.457 2.900 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -4.971 -3.356 3.139 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -6.076 -2.832 4.432 1.00 1.00 H new ATOM 1068 N ASP A 72 -7.436 -0.245 4.236 1.00 1.00 N ATOM 1069 CA ASP A 72 -8.686 0.410 4.598 1.00 1.00 C ATOM 1070 C ASP A 72 -8.906 1.653 3.739 1.00 1.00 C ATOM 1071 O ASP A 72 -10.025 1.927 3.301 1.00 1.00 O ATOM 1072 CB ASP A 72 -8.654 0.809 6.085 1.00 1.00 C ATOM 1073 CG ASP A 72 -9.082 -0.365 6.959 1.00 1.00 C ATOM 1074 OD1 ASP A 72 -10.164 -0.879 6.735 1.00 1.00 O ATOM 1075 OD2 ASP A 72 -8.321 -0.731 7.840 1.00 1.00 O ATOM 0 H ASP A 72 -6.720 -0.230 4.963 1.00 1.00 H new ATOM 0 HA ASP A 72 -9.507 -0.286 4.425 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -7.649 1.129 6.361 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -9.316 1.658 6.255 1.00 1.00 H new ATOM 1080 N VAL A 73 -7.832 2.402 3.506 1.00 1.00 N ATOM 1081 CA VAL A 73 -7.925 3.617 2.704 1.00 1.00 C ATOM 1082 C VAL A 73 -8.323 3.276 1.273 1.00 1.00 C ATOM 1083 O VAL A 73 -9.146 3.962 0.666 1.00 1.00 O ATOM 1084 CB VAL A 73 -6.588 4.357 2.709 1.00 1.00 C ATOM 1085 CG1 VAL A 73 -6.684 5.600 1.823 1.00 1.00 C ATOM 1086 CG2 VAL A 73 -6.248 4.780 4.140 1.00 1.00 C ATOM 0 H VAL A 73 -6.897 2.192 3.857 1.00 1.00 H new ATOM 0 HA VAL A 73 -8.688 4.262 3.139 1.00 1.00 H new ATOM 0 HB VAL A 73 -5.809 3.698 2.325 1.00 1.00 H new ATOM 0 HG11 VAL A 73 -5.729 6.125 1.829 1.00 1.00 H new ATOM 0 HG12 VAL A 73 -6.928 5.302 0.803 1.00 1.00 H new ATOM 0 HG13 VAL A 73 -7.463 6.260 2.205 1.00 1.00 H new ATOM 0 HG21 VAL A 73 -5.295 5.308 4.146 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -7.030 5.438 4.520 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -6.177 3.896 4.774 1.00 1.00 H new ATOM 1096 N ILE A 74 -7.734 2.213 0.740 1.00 1.00 N ATOM 1097 CA ILE A 74 -8.036 1.793 -0.622 1.00 1.00 C ATOM 1098 C ILE A 74 -9.512 1.426 -0.756 1.00 1.00 C ATOM 1099 O ILE A 74 -10.162 1.793 -1.735 1.00 1.00 O ATOM 1100 CB ILE A 74 -7.171 0.586 -1.004 1.00 1.00 C ATOM 1101 CG1 ILE A 74 -5.712 1.029 -1.168 1.00 1.00 C ATOM 1102 CG2 ILE A 74 -7.681 -0.050 -2.311 1.00 1.00 C ATOM 1103 CD1 ILE A 74 -4.806 -0.195 -1.304 1.00 1.00 C ATOM 0 H ILE A 74 -7.051 1.631 1.225 1.00 1.00 H new ATOM 0 HA ILE A 74 -7.817 2.623 -1.293 1.00 1.00 H new ATOM 0 HB ILE A 74 -7.234 -0.159 -0.211 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -5.613 1.665 -2.048 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -5.405 1.625 -0.308 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -7.056 -0.905 -2.568 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -8.711 -0.381 -2.177 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -7.638 0.685 -3.115 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -3.772 0.129 -1.420 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -4.894 -0.814 -0.411 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -5.105 -0.774 -2.178 1.00 1.00 H new ATOM 1115 N GLU A 75 -10.031 0.705 0.227 1.00 1.00 N ATOM 1116 CA GLU A 75 -11.431 0.298 0.202 1.00 1.00 C ATOM 1117 C GLU A 75 -12.341 1.516 0.127 1.00 1.00 C ATOM 1118 O GLU A 75 -13.379 1.485 -0.533 1.00 1.00 O ATOM 1119 CB GLU A 75 -11.756 -0.518 1.454 1.00 1.00 C ATOM 1120 CG GLU A 75 -11.131 -1.908 1.330 1.00 1.00 C ATOM 1121 CD GLU A 75 -11.865 -2.714 0.262 1.00 1.00 C ATOM 1122 OE1 GLU A 75 -13.058 -2.918 0.417 1.00 1.00 O ATOM 1123 OE2 GLU A 75 -11.224 -3.120 -0.692 1.00 1.00 O ATOM 0 H GLU A 75 -9.510 0.391 1.046 1.00 1.00 H new ATOM 0 HA GLU A 75 -11.600 -0.316 -0.683 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -11.373 -0.013 2.341 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -12.836 -0.602 1.577 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -10.076 -1.820 1.071 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -11.182 -2.426 2.288 1.00 1.00 H new ATOM 1130 N GLY A 76 -11.944 2.584 0.806 1.00 1.00 N ATOM 1131 CA GLY A 76 -12.728 3.813 0.806 1.00 1.00 C ATOM 1132 C GLY A 76 -12.608 4.540 -0.526 1.00 1.00 C ATOM 1133 O GLY A 76 -13.486 5.319 -0.900 1.00 1.00 O ATOM 0 H GLY A 76 -11.089 2.625 1.361 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -13.774 3.580 1.004 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -12.389 4.465 1.611 1.00 1.00 H new ATOM 1137 N LEU A 77 -11.510 4.289 -1.235 1.00 1.00 N ATOM 1138 CA LEU A 77 -11.274 4.931 -2.525 1.00 1.00 C ATOM 1139 C LEU A 77 -11.880 4.124 -3.658 1.00 1.00 C ATOM 1140 O LEU A 77 -11.932 4.582 -4.797 1.00 1.00 O ATOM 1141 CB LEU A 77 -9.769 5.098 -2.752 1.00 1.00 C ATOM 1142 CG LEU A 77 -9.219 6.139 -1.767 1.00 1.00 C ATOM 1143 CD1 LEU A 77 -7.694 6.059 -1.751 1.00 1.00 C ATOM 1144 CD2 LEU A 77 -9.640 7.558 -2.201 1.00 1.00 C ATOM 0 H LEU A 77 -10.773 3.649 -0.940 1.00 1.00 H new ATOM 0 HA LEU A 77 -11.753 5.910 -2.512 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -9.261 4.144 -2.612 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -9.577 5.414 -3.777 1.00 1.00 H new ATOM 0 HG LEU A 77 -9.619 5.933 -0.774 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -7.298 6.797 -1.053 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -7.385 5.061 -1.439 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -7.309 6.262 -2.750 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -9.244 8.287 -1.494 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -9.246 7.766 -3.196 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -10.728 7.625 -2.220 1.00 1.00 H new ATOM 1156 N LEU A 78 -12.352 2.929 -3.337 1.00 1.00 N ATOM 1157 CA LEU A 78 -12.970 2.062 -4.335 1.00 1.00 C ATOM 1158 C LEU A 78 -14.479 2.234 -4.349 1.00 1.00 C ATOM 1159 O LEU A 78 -15.165 1.700 -5.219 1.00 1.00 O ATOM 1160 CB LEU A 78 -12.622 0.604 -4.028 1.00 1.00 C ATOM 1161 CG LEU A 78 -11.216 0.264 -4.561 1.00 1.00 C ATOM 1162 CD1 LEU A 78 -10.612 -0.889 -3.760 1.00 1.00 C ATOM 1163 CD2 LEU A 78 -11.302 -0.147 -6.035 1.00 1.00 C ATOM 0 H LEU A 78 -12.320 2.536 -2.396 1.00 1.00 H new ATOM 0 HA LEU A 78 -12.586 2.337 -5.317 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -12.661 0.433 -2.952 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -13.360 -0.056 -4.483 1.00 1.00 H new ATOM 0 HG LEU A 78 -10.585 1.147 -4.460 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -9.619 -1.119 -4.146 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -10.536 -0.603 -2.711 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -11.250 -1.768 -3.851 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -10.305 -0.386 -6.405 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -11.944 -1.022 -6.132 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -11.718 0.675 -6.618 1.00 1.00 H new ATOM 1175 N GLU A 79 -14.989 2.951 -3.368 1.00 1.00 N ATOM 1176 CA GLU A 79 -16.424 3.156 -3.268 1.00 1.00 C ATOM 1177 C GLU A 79 -16.935 4.081 -4.364 1.00 1.00 C ATOM 1178 O GLU A 79 -17.825 3.723 -5.137 1.00 1.00 O ATOM 1179 CB GLU A 79 -16.763 3.769 -1.907 1.00 1.00 C ATOM 1180 CG GLU A 79 -16.002 3.028 -0.811 1.00 1.00 C ATOM 1181 CD GLU A 79 -16.409 3.555 0.564 1.00 1.00 C ATOM 1182 OE1 GLU A 79 -17.166 4.512 0.612 1.00 1.00 O ATOM 1183 OE2 GLU A 79 -15.956 2.997 1.550 1.00 1.00 O ATOM 0 H GLU A 79 -14.440 3.398 -2.634 1.00 1.00 H new ATOM 0 HA GLU A 79 -16.906 2.185 -3.381 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -16.499 4.826 -1.897 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -17.836 3.707 -1.725 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -16.208 1.959 -0.874 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -14.929 3.155 -0.954 1.00 1.00 H new