USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 589 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 65 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 69 GLN : amide:sc= -3.02! C(o=-3!,f=-14!) USER MOD Set 2.1: A 16 LYS NZ :NH3+ 178:sc= -4.55! (180deg=-1.25) USER MOD Set 2.2: A 47 ASN : amide:sc= -7! C(o=-12!,f=-19!) USER MOD Single : A 1 ALA N :NH3+ -130:sc= 0.079 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -146:sc= -0.221 (180deg=-1.2!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -140:sc= -0.959 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= -0.0348 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.185 USER MOD Single : A 29 SER OG : rot -42:sc= 1.27 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 47:sc= -1.14! USER MOD Single : A 46 MET CE :methyl -160:sc= -0.835 (180deg=-1.7!) USER MOD Single : A 55 ASN :FLIP amide:sc= -1.06 F(o=-1.8,f=-1.1) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.22 X(o=-0.22,f=-0.44) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.451 USER MOD Single : A 68 GLN :FLIP amide:sc= -1.93 F(o=-6.6!,f=-1.9) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.945 -7.477 1.919 1.00 1.00 N ATOM 2 CA ALA A 1 -9.492 -7.520 0.501 1.00 1.00 C ATOM 3 C ALA A 1 -9.307 -8.972 0.076 1.00 1.00 C ATOM 4 O ALA A 1 -9.912 -9.876 0.648 1.00 1.00 O ATOM 5 CB ALA A 1 -8.168 -6.763 0.367 1.00 1.00 C ATOM 0 H1 ALA A 1 -10.780 -6.862 1.998 1.00 1.00 H new ATOM 0 H2 ALA A 1 -10.191 -8.437 2.234 1.00 1.00 H new ATOM 0 H3 ALA A 1 -9.181 -7.102 2.516 1.00 1.00 H new ATOM 0 HA ALA A 1 -10.238 -7.050 -0.140 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -7.835 -6.793 -0.670 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -8.309 -5.726 0.673 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -7.416 -7.230 1.003 1.00 1.00 H new ATOM 13 N LYS A 2 -8.465 -9.189 -0.930 1.00 1.00 N ATOM 14 CA LYS A 2 -8.202 -10.543 -1.426 1.00 1.00 C ATOM 15 C LYS A 2 -6.715 -10.726 -1.701 1.00 1.00 C ATOM 16 O LYS A 2 -5.952 -9.763 -1.712 1.00 1.00 O ATOM 17 CB LYS A 2 -8.997 -10.792 -2.711 1.00 1.00 C ATOM 18 CG LYS A 2 -8.929 -9.540 -3.608 1.00 1.00 C ATOM 19 CD LYS A 2 -10.135 -8.626 -3.324 1.00 1.00 C ATOM 20 CE LYS A 2 -11.324 -9.073 -4.178 1.00 1.00 C ATOM 21 NZ LYS A 2 -10.988 -8.898 -5.617 1.00 1.00 N ATOM 0 H LYS A 2 -7.954 -8.453 -1.417 1.00 1.00 H new ATOM 0 HA LYS A 2 -8.512 -11.259 -0.665 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -8.592 -11.654 -3.241 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -10.034 -11.024 -2.470 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -8.001 -9.000 -3.423 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -8.923 -9.834 -4.658 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -10.396 -8.668 -2.267 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -9.881 -7.590 -3.548 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -11.562 -10.117 -3.973 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -12.208 -8.488 -3.925 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -11.845 -8.633 -6.144 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -10.273 -8.149 -5.718 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -10.611 -9.790 -5.996 1.00 1.00 H new ATOM 35 N LYS A 3 -6.315 -11.971 -1.930 1.00 1.00 N ATOM 36 CA LYS A 3 -4.912 -12.269 -2.205 1.00 1.00 C ATOM 37 C LYS A 3 -4.455 -11.568 -3.476 1.00 1.00 C ATOM 38 O LYS A 3 -3.283 -11.223 -3.618 1.00 1.00 O ATOM 39 CB LYS A 3 -4.730 -13.777 -2.361 1.00 1.00 C ATOM 40 CG LYS A 3 -5.730 -14.319 -3.420 1.00 1.00 C ATOM 41 CD LYS A 3 -6.559 -15.459 -2.826 1.00 1.00 C ATOM 42 CE LYS A 3 -5.682 -16.706 -2.691 1.00 1.00 C ATOM 43 NZ LYS A 3 -6.516 -17.845 -2.223 1.00 1.00 N ATOM 0 H LYS A 3 -6.933 -12.783 -1.931 1.00 1.00 H new ATOM 0 HA LYS A 3 -4.309 -11.909 -1.371 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -3.707 -14.000 -2.665 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -4.894 -14.274 -1.405 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -6.388 -13.517 -3.754 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -5.187 -14.672 -4.297 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -6.951 -15.169 -1.851 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -7.417 -15.671 -3.464 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -5.222 -16.947 -3.649 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -4.871 -16.520 -1.986 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -5.923 -18.694 -2.130 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -6.935 -17.612 -1.300 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -7.274 -18.026 -2.911 1.00 1.00 H new ATOM 57 N GLU A 4 -5.386 -11.364 -4.406 1.00 1.00 N ATOM 58 CA GLU A 4 -5.057 -10.705 -5.664 1.00 1.00 C ATOM 59 C GLU A 4 -4.699 -9.243 -5.424 1.00 1.00 C ATOM 60 O GLU A 4 -3.674 -8.765 -5.902 1.00 1.00 O ATOM 61 CB GLU A 4 -6.247 -10.787 -6.624 1.00 1.00 C ATOM 62 CG GLU A 4 -5.825 -10.290 -8.010 1.00 1.00 C ATOM 63 CD GLU A 4 -4.878 -11.295 -8.656 1.00 1.00 C ATOM 64 OE1 GLU A 4 -4.707 -12.365 -8.093 1.00 1.00 O ATOM 65 OE2 GLU A 4 -4.338 -10.981 -9.703 1.00 1.00 O ATOM 0 H GLU A 4 -6.363 -11.643 -4.313 1.00 1.00 H new ATOM 0 HA GLU A 4 -4.198 -11.212 -6.104 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -6.605 -11.815 -6.689 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -7.074 -10.185 -6.247 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -6.704 -10.150 -8.639 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -5.336 -9.320 -7.925 1.00 1.00 H new ATOM 72 N THR A 5 -5.551 -8.541 -4.687 1.00 1.00 N ATOM 73 CA THR A 5 -5.318 -7.129 -4.398 1.00 1.00 C ATOM 74 C THR A 5 -4.008 -6.941 -3.643 1.00 1.00 C ATOM 75 O THR A 5 -3.239 -6.028 -3.934 1.00 1.00 O ATOM 76 CB THR A 5 -6.473 -6.566 -3.569 1.00 1.00 C ATOM 77 OG1 THR A 5 -7.706 -6.855 -4.214 1.00 1.00 O ATOM 78 CG2 THR A 5 -6.315 -5.054 -3.426 1.00 1.00 C ATOM 0 H THR A 5 -6.405 -8.922 -4.280 1.00 1.00 H new ATOM 0 HA THR A 5 -5.256 -6.593 -5.345 1.00 1.00 H new ATOM 0 HB THR A 5 -6.463 -7.025 -2.580 1.00 1.00 H new ATOM 0 HG1 THR A 5 -8.304 -6.082 -4.138 1.00 1.00 H new ATOM 0 HG21 THR A 5 -7.140 -4.656 -2.835 1.00 1.00 H new ATOM 0 HG22 THR A 5 -5.371 -4.832 -2.928 1.00 1.00 H new ATOM 0 HG23 THR A 5 -6.321 -4.593 -4.413 1.00 1.00 H new ATOM 86 N ILE A 6 -3.763 -7.809 -2.674 1.00 1.00 N ATOM 87 CA ILE A 6 -2.548 -7.727 -1.875 1.00 1.00 C ATOM 88 C ILE A 6 -1.320 -7.835 -2.775 1.00 1.00 C ATOM 89 O ILE A 6 -0.320 -7.152 -2.561 1.00 1.00 O ATOM 90 CB ILE A 6 -2.523 -8.853 -0.843 1.00 1.00 C ATOM 91 CG1 ILE A 6 -3.648 -8.636 0.176 1.00 1.00 C ATOM 92 CG2 ILE A 6 -1.176 -8.854 -0.107 1.00 1.00 C ATOM 93 CD1 ILE A 6 -3.794 -9.877 1.066 1.00 1.00 C ATOM 0 H ILE A 6 -4.386 -8.576 -2.422 1.00 1.00 H new ATOM 0 HA ILE A 6 -2.533 -6.766 -1.361 1.00 1.00 H new ATOM 0 HB ILE A 6 -2.661 -9.807 -1.352 1.00 1.00 H new ATOM 0 HG12 ILE A 6 -3.431 -7.762 0.789 1.00 1.00 H new ATOM 0 HG13 ILE A 6 -4.586 -8.437 -0.342 1.00 1.00 H new ATOM 0 HG21 ILE A 6 -1.164 -9.659 0.628 1.00 1.00 H new ATOM 0 HG22 ILE A 6 -0.369 -9.005 -0.824 1.00 1.00 H new ATOM 0 HG23 ILE A 6 -1.037 -7.899 0.399 1.00 1.00 H new ATOM 0 HD11 ILE A 6 -4.595 -9.715 1.787 1.00 1.00 H new ATOM 0 HD12 ILE A 6 -4.032 -10.742 0.447 1.00 1.00 H new ATOM 0 HD13 ILE A 6 -2.859 -10.056 1.597 1.00 1.00 H new ATOM 105 N ASP A 7 -1.395 -8.712 -3.772 1.00 1.00 N ATOM 106 CA ASP A 7 -0.278 -8.908 -4.685 1.00 1.00 C ATOM 107 C ASP A 7 0.045 -7.611 -5.419 1.00 1.00 C ATOM 108 O ASP A 7 1.210 -7.252 -5.582 1.00 1.00 O ATOM 109 CB ASP A 7 -0.622 -10.000 -5.701 1.00 1.00 C ATOM 110 CG ASP A 7 0.627 -10.409 -6.473 1.00 1.00 C ATOM 111 OD1 ASP A 7 1.646 -9.764 -6.295 1.00 1.00 O ATOM 112 OD2 ASP A 7 0.549 -11.364 -7.228 1.00 1.00 O ATOM 0 H ASP A 7 -2.211 -9.293 -3.966 1.00 1.00 H new ATOM 0 HA ASP A 7 0.594 -9.212 -4.106 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -1.042 -10.865 -5.188 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -1.384 -9.638 -6.392 1.00 1.00 H new ATOM 117 N LYS A 8 -0.995 -6.917 -5.874 1.00 1.00 N ATOM 118 CA LYS A 8 -0.799 -5.670 -6.602 1.00 1.00 C ATOM 119 C LYS A 8 -0.085 -4.643 -5.735 1.00 1.00 C ATOM 120 O LYS A 8 0.931 -4.078 -6.136 1.00 1.00 O ATOM 121 CB LYS A 8 -2.153 -5.109 -7.032 1.00 1.00 C ATOM 122 CG LYS A 8 -2.966 -6.210 -7.734 1.00 1.00 C ATOM 123 CD LYS A 8 -3.936 -5.579 -8.749 1.00 1.00 C ATOM 124 CE LYS A 8 -3.197 -5.304 -10.064 1.00 1.00 C ATOM 125 NZ LYS A 8 -4.173 -4.891 -11.101 1.00 1.00 N ATOM 0 H LYS A 8 -1.969 -7.193 -5.753 1.00 1.00 H new ATOM 0 HA LYS A 8 -0.185 -5.877 -7.478 1.00 1.00 H new ATOM 0 HB2 LYS A 8 -2.697 -4.738 -6.163 1.00 1.00 H new ATOM 0 HB3 LYS A 8 -2.011 -4.263 -7.704 1.00 1.00 H new ATOM 0 HG2 LYS A 8 -2.294 -6.902 -8.242 1.00 1.00 H new ATOM 0 HG3 LYS A 8 -3.523 -6.789 -6.997 1.00 1.00 H new ATOM 0 HD2 LYS A 8 -4.778 -6.248 -8.926 1.00 1.00 H new ATOM 0 HD3 LYS A 8 -4.344 -4.651 -8.349 1.00 1.00 H new ATOM 0 HE2 LYS A 8 -2.452 -4.522 -9.918 1.00 1.00 H new ATOM 0 HE3 LYS A 8 -2.663 -6.197 -10.387 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -3.673 -4.704 -11.994 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -4.868 -5.651 -11.246 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -4.664 -4.028 -10.792 1.00 1.00 H new ATOM 139 N VAL A 9 -0.618 -4.412 -4.540 1.00 1.00 N ATOM 140 CA VAL A 9 -0.018 -3.458 -3.622 1.00 1.00 C ATOM 141 C VAL A 9 1.355 -3.947 -3.169 1.00 1.00 C ATOM 142 O VAL A 9 2.317 -3.187 -3.146 1.00 1.00 O ATOM 143 CB VAL A 9 -0.921 -3.266 -2.401 1.00 1.00 C ATOM 144 CG1 VAL A 9 -0.299 -2.235 -1.456 1.00 1.00 C ATOM 145 CG2 VAL A 9 -2.297 -2.776 -2.856 1.00 1.00 C ATOM 0 H VAL A 9 -1.459 -4.870 -4.188 1.00 1.00 H new ATOM 0 HA VAL A 9 0.097 -2.506 -4.140 1.00 1.00 H new ATOM 0 HB VAL A 9 -1.027 -4.217 -1.878 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -0.945 -2.101 -0.588 1.00 1.00 H new ATOM 0 HG12 VAL A 9 0.680 -2.585 -1.129 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -0.189 -1.284 -1.977 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -2.940 -2.639 -1.987 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -2.190 -1.827 -3.381 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -2.743 -3.512 -3.525 1.00 1.00 H new ATOM 155 N SER A 10 1.439 -5.222 -2.814 1.00 1.00 N ATOM 156 CA SER A 10 2.698 -5.803 -2.362 1.00 1.00 C ATOM 157 C SER A 10 3.749 -5.730 -3.463 1.00 1.00 C ATOM 158 O SER A 10 4.914 -5.431 -3.204 1.00 1.00 O ATOM 159 CB SER A 10 2.485 -7.259 -1.950 1.00 1.00 C ATOM 160 OG SER A 10 3.712 -7.801 -1.482 1.00 1.00 O ATOM 0 H SER A 10 0.654 -5.873 -2.830 1.00 1.00 H new ATOM 0 HA SER A 10 3.051 -5.232 -1.503 1.00 1.00 H new ATOM 0 HB2 SER A 10 1.726 -7.320 -1.170 1.00 1.00 H new ATOM 0 HB3 SER A 10 2.118 -7.838 -2.797 1.00 1.00 H new ATOM 0 HG SER A 10 3.577 -8.734 -1.216 1.00 1.00 H new ATOM 166 N ASP A 11 3.328 -6.006 -4.695 1.00 1.00 N ATOM 167 CA ASP A 11 4.242 -5.970 -5.828 1.00 1.00 C ATOM 168 C ASP A 11 4.841 -4.578 -5.989 1.00 1.00 C ATOM 169 O ASP A 11 6.035 -4.426 -6.226 1.00 1.00 O ATOM 170 CB ASP A 11 3.502 -6.363 -7.107 1.00 1.00 C ATOM 171 CG ASP A 11 3.236 -7.865 -7.120 1.00 1.00 C ATOM 172 OD1 ASP A 11 3.731 -8.544 -6.236 1.00 1.00 O ATOM 173 OD2 ASP A 11 2.543 -8.317 -8.017 1.00 1.00 O ATOM 0 H ASP A 11 2.367 -6.255 -4.931 1.00 1.00 H new ATOM 0 HA ASP A 11 5.049 -6.679 -5.644 1.00 1.00 H new ATOM 0 HB2 ASP A 11 2.560 -5.819 -7.173 1.00 1.00 H new ATOM 0 HB3 ASP A 11 4.093 -6.083 -7.979 1.00 1.00 H new ATOM 178 N ILE A 12 4.004 -3.560 -5.869 1.00 1.00 N ATOM 179 CA ILE A 12 4.470 -2.188 -5.998 1.00 1.00 C ATOM 180 C ILE A 12 5.325 -1.797 -4.798 1.00 1.00 C ATOM 181 O ILE A 12 6.344 -1.128 -4.937 1.00 1.00 O ATOM 182 CB ILE A 12 3.270 -1.246 -6.105 1.00 1.00 C ATOM 183 CG1 ILE A 12 2.503 -1.546 -7.401 1.00 1.00 C ATOM 184 CG2 ILE A 12 3.762 0.207 -6.135 1.00 1.00 C ATOM 185 CD1 ILE A 12 1.081 -0.996 -7.290 1.00 1.00 C ATOM 0 H ILE A 12 3.006 -3.656 -5.684 1.00 1.00 H new ATOM 0 HA ILE A 12 5.078 -2.109 -6.899 1.00 1.00 H new ATOM 0 HB ILE A 12 2.615 -1.393 -5.246 1.00 1.00 H new ATOM 0 HG12 ILE A 12 3.014 -1.094 -8.251 1.00 1.00 H new ATOM 0 HG13 ILE A 12 2.476 -2.621 -7.580 1.00 1.00 H new ATOM 0 HG21 ILE A 12 2.907 0.879 -6.211 1.00 1.00 H new ATOM 0 HG22 ILE A 12 4.313 0.423 -5.220 1.00 1.00 H new ATOM 0 HG23 ILE A 12 4.416 0.352 -6.995 1.00 1.00 H new ATOM 0 HD11 ILE A 12 0.536 -1.209 -8.210 1.00 1.00 H new ATOM 0 HD12 ILE A 12 0.573 -1.468 -6.449 1.00 1.00 H new ATOM 0 HD13 ILE A 12 1.119 0.082 -7.132 1.00 1.00 H new ATOM 197 N VAL A 13 4.873 -2.184 -3.608 1.00 1.00 N ATOM 198 CA VAL A 13 5.589 -1.831 -2.386 1.00 1.00 C ATOM 199 C VAL A 13 6.961 -2.491 -2.341 1.00 1.00 C ATOM 200 O VAL A 13 7.967 -1.833 -2.093 1.00 1.00 O ATOM 201 CB VAL A 13 4.771 -2.269 -1.164 1.00 1.00 C ATOM 202 CG1 VAL A 13 5.592 -2.047 0.111 1.00 1.00 C ATOM 203 CG2 VAL A 13 3.479 -1.451 -1.091 1.00 1.00 C ATOM 0 H VAL A 13 4.026 -2.734 -3.464 1.00 1.00 H new ATOM 0 HA VAL A 13 5.727 -0.750 -2.373 1.00 1.00 H new ATOM 0 HB VAL A 13 4.524 -3.327 -1.255 1.00 1.00 H new ATOM 0 HG11 VAL A 13 5.009 -2.359 0.978 1.00 1.00 H new ATOM 0 HG12 VAL A 13 6.509 -2.634 0.060 1.00 1.00 H new ATOM 0 HG13 VAL A 13 5.842 -0.990 0.203 1.00 1.00 H new ATOM 0 HG21 VAL A 13 2.899 -1.763 -0.222 1.00 1.00 H new ATOM 0 HG22 VAL A 13 3.723 -0.392 -1.003 1.00 1.00 H new ATOM 0 HG23 VAL A 13 2.894 -1.614 -1.996 1.00 1.00 H new ATOM 213 N LYS A 14 6.989 -3.796 -2.567 1.00 1.00 N ATOM 214 CA LYS A 14 8.242 -4.539 -2.531 1.00 1.00 C ATOM 215 C LYS A 14 9.189 -4.048 -3.621 1.00 1.00 C ATOM 216 O LYS A 14 10.405 -4.010 -3.432 1.00 1.00 O ATOM 217 CB LYS A 14 7.963 -6.033 -2.705 1.00 1.00 C ATOM 218 CG LYS A 14 7.714 -6.347 -4.181 1.00 1.00 C ATOM 219 CD LYS A 14 7.039 -7.709 -4.314 1.00 1.00 C ATOM 220 CE LYS A 14 7.900 -8.773 -3.639 1.00 1.00 C ATOM 221 NZ LYS A 14 7.444 -10.122 -4.062 1.00 1.00 N ATOM 0 H LYS A 14 6.165 -4.360 -2.776 1.00 1.00 H new ATOM 0 HA LYS A 14 8.719 -4.375 -1.565 1.00 1.00 H new ATOM 0 HB2 LYS A 14 8.808 -6.615 -2.338 1.00 1.00 H new ATOM 0 HB3 LYS A 14 7.096 -6.322 -2.111 1.00 1.00 H new ATOM 0 HG2 LYS A 14 7.086 -5.575 -4.625 1.00 1.00 H new ATOM 0 HG3 LYS A 14 8.657 -6.344 -4.727 1.00 1.00 H new ATOM 0 HD2 LYS A 14 6.050 -7.683 -3.857 1.00 1.00 H new ATOM 0 HD3 LYS A 14 6.897 -7.955 -5.366 1.00 1.00 H new ATOM 0 HE2 LYS A 14 8.947 -8.631 -3.906 1.00 1.00 H new ATOM 0 HE3 LYS A 14 7.831 -8.678 -2.555 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 8.031 -10.847 -3.602 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 6.450 -10.255 -3.786 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 7.531 -10.210 -5.095 1.00 1.00 H new ATOM 235 N GLU A 15 8.620 -3.686 -4.765 1.00 1.00 N ATOM 236 CA GLU A 15 9.415 -3.197 -5.882 1.00 1.00 C ATOM 237 C GLU A 15 9.904 -1.781 -5.614 1.00 1.00 C ATOM 238 O GLU A 15 10.996 -1.398 -6.022 1.00 1.00 O ATOM 239 CB GLU A 15 8.587 -3.231 -7.166 1.00 1.00 C ATOM 240 CG GLU A 15 8.460 -4.677 -7.662 1.00 1.00 C ATOM 241 CD GLU A 15 7.495 -4.741 -8.839 1.00 1.00 C ATOM 242 OE1 GLU A 15 7.050 -3.692 -9.275 1.00 1.00 O ATOM 243 OE2 GLU A 15 7.211 -5.840 -9.289 1.00 1.00 O ATOM 0 H GLU A 15 7.616 -3.722 -4.942 1.00 1.00 H new ATOM 0 HA GLU A 15 10.283 -3.845 -5.999 1.00 1.00 H new ATOM 0 HB2 GLU A 15 7.598 -2.811 -6.983 1.00 1.00 H new ATOM 0 HB3 GLU A 15 9.059 -2.614 -7.931 1.00 1.00 H new ATOM 0 HG2 GLU A 15 9.438 -5.055 -7.962 1.00 1.00 H new ATOM 0 HG3 GLU A 15 8.105 -5.317 -6.855 1.00 1.00 H new ATOM 250 N LYS A 16 9.072 -0.998 -4.945 1.00 1.00 N ATOM 251 CA LYS A 16 9.425 0.377 -4.631 1.00 1.00 C ATOM 252 C LYS A 16 10.505 0.435 -3.565 1.00 1.00 C ATOM 253 O LYS A 16 11.359 1.322 -3.578 1.00 1.00 O ATOM 254 CB LYS A 16 8.186 1.134 -4.150 1.00 1.00 C ATOM 255 CG LYS A 16 7.248 1.399 -5.344 1.00 1.00 C ATOM 256 CD LYS A 16 7.596 2.746 -5.997 1.00 1.00 C ATOM 257 CE LYS A 16 6.904 3.878 -5.237 1.00 1.00 C ATOM 258 NZ LYS A 16 7.171 5.169 -5.924 1.00 1.00 N ATOM 0 H LYS A 16 8.153 -1.289 -4.611 1.00 1.00 H new ATOM 0 HA LYS A 16 9.812 0.844 -5.537 1.00 1.00 H new ATOM 0 HB2 LYS A 16 7.666 0.554 -3.387 1.00 1.00 H new ATOM 0 HB3 LYS A 16 8.480 2.077 -3.689 1.00 1.00 H new ATOM 0 HG2 LYS A 16 7.341 0.596 -6.075 1.00 1.00 H new ATOM 0 HG3 LYS A 16 6.211 1.405 -5.008 1.00 1.00 H new ATOM 0 HD2 LYS A 16 8.676 2.897 -5.991 1.00 1.00 H new ATOM 0 HD3 LYS A 16 7.280 2.748 -7.040 1.00 1.00 H new ATOM 0 HE2 LYS A 16 5.831 3.695 -5.188 1.00 1.00 H new ATOM 0 HE3 LYS A 16 7.268 3.918 -4.210 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 6.673 5.936 -5.428 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 8.193 5.360 -5.919 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 6.833 5.116 -6.906 1.00 1.00 H new ATOM 272 N LEU A 17 10.438 -0.495 -2.618 1.00 1.00 N ATOM 273 CA LEU A 17 11.401 -0.521 -1.523 1.00 1.00 C ATOM 274 C LEU A 17 12.640 -1.305 -1.912 1.00 1.00 C ATOM 275 O LEU A 17 13.669 -1.220 -1.241 1.00 1.00 O ATOM 276 CB LEU A 17 10.755 -1.166 -0.290 1.00 1.00 C ATOM 277 CG LEU A 17 9.542 -0.335 0.149 1.00 1.00 C ATOM 278 CD1 LEU A 17 8.810 -1.060 1.283 1.00 1.00 C ATOM 279 CD2 LEU A 17 10.002 1.049 0.636 1.00 1.00 C ATOM 0 H LEU A 17 9.735 -1.233 -2.586 1.00 1.00 H new ATOM 0 HA LEU A 17 11.696 0.504 -1.296 1.00 1.00 H new ATOM 0 HB2 LEU A 17 10.446 -2.186 -0.520 1.00 1.00 H new ATOM 0 HB3 LEU A 17 11.479 -1.228 0.522 1.00 1.00 H new ATOM 0 HG LEU A 17 8.869 -0.209 -0.699 1.00 1.00 H new ATOM 0 HD11 LEU A 17 7.948 -0.470 1.595 1.00 1.00 H new ATOM 0 HD12 LEU A 17 8.474 -2.036 0.934 1.00 1.00 H new ATOM 0 HD13 LEU A 17 9.486 -1.190 2.128 1.00 1.00 H new ATOM 0 HD21 LEU A 17 9.135 1.632 0.946 1.00 1.00 H new ATOM 0 HD22 LEU A 17 10.680 0.930 1.481 1.00 1.00 H new ATOM 0 HD23 LEU A 17 10.517 1.567 -0.173 1.00 1.00 H new ATOM 291 N ALA A 18 12.542 -2.060 -3.000 1.00 1.00 N ATOM 292 CA ALA A 18 13.669 -2.856 -3.469 1.00 1.00 C ATOM 293 C ALA A 18 13.329 -3.543 -4.788 1.00 1.00 C ATOM 294 O ALA A 18 12.441 -3.112 -5.513 1.00 1.00 O ATOM 295 CB ALA A 18 14.040 -3.916 -2.421 1.00 1.00 C ATOM 0 H ALA A 18 11.700 -2.137 -3.570 1.00 1.00 H new ATOM 0 HA ALA A 18 14.517 -2.189 -3.626 1.00 1.00 H new ATOM 0 HB1 ALA A 18 14.883 -4.505 -2.782 1.00 1.00 H new ATOM 0 HB2 ALA A 18 14.314 -3.424 -1.487 1.00 1.00 H new ATOM 0 HB3 ALA A 18 13.187 -4.572 -2.249 1.00 1.00 H new ATOM 301 N LEU A 19 14.041 -4.622 -5.088 1.00 1.00 N ATOM 302 CA LEU A 19 13.802 -5.365 -6.325 1.00 1.00 C ATOM 303 C LEU A 19 12.671 -6.366 -6.135 1.00 1.00 C ATOM 304 O LEU A 19 12.091 -6.850 -7.107 1.00 1.00 O ATOM 305 CB LEU A 19 15.075 -6.104 -6.737 1.00 1.00 C ATOM 306 CG LEU A 19 16.239 -5.112 -6.815 1.00 1.00 C ATOM 307 CD1 LEU A 19 17.527 -5.863 -7.157 1.00 1.00 C ATOM 308 CD2 LEU A 19 15.955 -4.061 -7.898 1.00 1.00 C ATOM 0 H LEU A 19 14.783 -5.002 -4.500 1.00 1.00 H new ATOM 0 HA LEU A 19 13.520 -4.659 -7.106 1.00 1.00 H new ATOM 0 HB2 LEU A 19 15.301 -6.890 -6.017 1.00 1.00 H new ATOM 0 HB3 LEU A 19 14.931 -6.588 -7.703 1.00 1.00 H new ATOM 0 HG LEU A 19 16.352 -4.614 -5.852 1.00 1.00 H new ATOM 0 HD11 LEU A 19 18.356 -5.157 -7.213 1.00 1.00 H new ATOM 0 HD12 LEU A 19 17.732 -6.604 -6.384 1.00 1.00 H new ATOM 0 HD13 LEU A 19 17.412 -6.364 -8.118 1.00 1.00 H new ATOM 0 HD21 LEU A 19 16.786 -3.358 -7.949 1.00 1.00 H new ATOM 0 HD22 LEU A 19 15.838 -4.555 -8.863 1.00 1.00 H new ATOM 0 HD23 LEU A 19 15.039 -3.523 -7.652 1.00 1.00 H new ATOM 320 N GLY A 20 12.358 -6.672 -4.881 1.00 1.00 N ATOM 321 CA GLY A 20 11.289 -7.617 -4.575 1.00 1.00 C ATOM 322 C GLY A 20 11.844 -9.026 -4.404 1.00 1.00 C ATOM 323 O GLY A 20 11.226 -9.874 -3.760 1.00 1.00 O ATOM 0 H GLY A 20 12.826 -6.282 -4.063 1.00 1.00 H new ATOM 0 HA2 GLY A 20 10.776 -7.310 -3.663 1.00 1.00 H new ATOM 0 HA3 GLY A 20 10.549 -7.607 -5.375 1.00 1.00 H new ATOM 327 N ALA A 21 13.012 -9.274 -4.988 1.00 1.00 N ATOM 328 CA ALA A 21 13.643 -10.586 -4.896 1.00 1.00 C ATOM 329 C ALA A 21 14.489 -10.687 -3.632 1.00 1.00 C ATOM 330 O ALA A 21 14.522 -11.728 -2.977 1.00 1.00 O ATOM 331 CB ALA A 21 14.524 -10.829 -6.123 1.00 1.00 C ATOM 0 H ALA A 21 13.539 -8.587 -5.528 1.00 1.00 H new ATOM 0 HA ALA A 21 12.859 -11.343 -4.856 1.00 1.00 H new ATOM 0 HB1 ALA A 21 14.992 -11.811 -6.047 1.00 1.00 H new ATOM 0 HB2 ALA A 21 13.912 -10.788 -7.024 1.00 1.00 H new ATOM 0 HB3 ALA A 21 15.297 -10.062 -6.174 1.00 1.00 H new ATOM 337 N ASP A 22 15.179 -9.599 -3.298 1.00 1.00 N ATOM 338 CA ASP A 22 16.031 -9.580 -2.114 1.00 1.00 C ATOM 339 C ASP A 22 15.215 -9.240 -0.876 1.00 1.00 C ATOM 340 O ASP A 22 15.733 -9.234 0.238 1.00 1.00 O ATOM 341 CB ASP A 22 17.145 -8.547 -2.290 1.00 1.00 C ATOM 342 CG ASP A 22 18.215 -8.746 -1.221 1.00 1.00 C ATOM 343 OD1 ASP A 22 17.991 -9.547 -0.329 1.00 1.00 O ATOM 344 OD2 ASP A 22 19.243 -8.098 -1.312 1.00 1.00 O ATOM 0 H ASP A 22 15.165 -8.726 -3.826 1.00 1.00 H new ATOM 0 HA ASP A 22 16.469 -10.570 -1.988 1.00 1.00 H new ATOM 0 HB2 ASP A 22 17.588 -8.643 -3.281 1.00 1.00 H new ATOM 0 HB3 ASP A 22 16.733 -7.540 -2.221 1.00 1.00 H new ATOM 349 N VAL A 23 13.932 -8.953 -1.074 1.00 1.00 N ATOM 350 CA VAL A 23 13.048 -8.608 0.039 1.00 1.00 C ATOM 351 C VAL A 23 11.765 -9.417 -0.034 1.00 1.00 C ATOM 352 O VAL A 23 11.322 -9.796 -1.117 1.00 1.00 O ATOM 353 CB VAL A 23 12.717 -7.115 -0.008 1.00 1.00 C ATOM 354 CG1 VAL A 23 11.939 -6.794 -1.285 1.00 1.00 C ATOM 355 CG2 VAL A 23 11.870 -6.746 1.212 1.00 1.00 C ATOM 0 H VAL A 23 13.481 -8.952 -1.989 1.00 1.00 H new ATOM 0 HA VAL A 23 13.557 -8.839 0.975 1.00 1.00 H new ATOM 0 HB VAL A 23 13.643 -6.540 -0.000 1.00 1.00 H new ATOM 0 HG11 VAL A 23 11.707 -5.729 -1.312 1.00 1.00 H new ATOM 0 HG12 VAL A 23 12.542 -7.056 -2.154 1.00 1.00 H new ATOM 0 HG13 VAL A 23 11.012 -7.368 -1.301 1.00 1.00 H new ATOM 0 HG21 VAL A 23 11.632 -5.683 1.182 1.00 1.00 H new ATOM 0 HG22 VAL A 23 10.946 -7.325 1.202 1.00 1.00 H new ATOM 0 HG23 VAL A 23 12.427 -6.967 2.122 1.00 1.00 H new ATOM 365 N VAL A 24 11.163 -9.673 1.125 1.00 1.00 N ATOM 366 CA VAL A 24 9.915 -10.436 1.181 1.00 1.00 C ATOM 367 C VAL A 24 8.825 -9.608 1.848 1.00 1.00 C ATOM 368 O VAL A 24 9.012 -9.089 2.948 1.00 1.00 O ATOM 369 CB VAL A 24 10.134 -11.728 1.967 1.00 1.00 C ATOM 370 CG1 VAL A 24 8.788 -12.424 2.191 1.00 1.00 C ATOM 371 CG2 VAL A 24 11.063 -12.650 1.176 1.00 1.00 C ATOM 0 H VAL A 24 11.514 -9.367 2.032 1.00 1.00 H new ATOM 0 HA VAL A 24 9.604 -10.680 0.165 1.00 1.00 H new ATOM 0 HB VAL A 24 10.586 -11.497 2.932 1.00 1.00 H new ATOM 0 HG11 VAL A 24 8.944 -13.346 2.752 1.00 1.00 H new ATOM 0 HG12 VAL A 24 8.127 -11.765 2.753 1.00 1.00 H new ATOM 0 HG13 VAL A 24 8.334 -12.658 1.228 1.00 1.00 H new ATOM 0 HG21 VAL A 24 11.221 -13.573 1.734 1.00 1.00 H new ATOM 0 HG22 VAL A 24 10.611 -12.882 0.212 1.00 1.00 H new ATOM 0 HG23 VAL A 24 12.020 -12.153 1.017 1.00 1.00 H new ATOM 381 N VAL A 25 7.682 -9.497 1.177 1.00 1.00 N ATOM 382 CA VAL A 25 6.551 -8.735 1.709 1.00 1.00 C ATOM 383 C VAL A 25 5.360 -9.648 1.958 1.00 1.00 C ATOM 384 O VAL A 25 5.012 -10.475 1.117 1.00 1.00 O ATOM 385 CB VAL A 25 6.156 -7.634 0.729 1.00 1.00 C ATOM 386 CG1 VAL A 25 4.971 -6.849 1.298 1.00 1.00 C ATOM 387 CG2 VAL A 25 7.345 -6.690 0.515 1.00 1.00 C ATOM 0 H VAL A 25 7.512 -9.923 0.266 1.00 1.00 H new ATOM 0 HA VAL A 25 6.853 -8.286 2.655 1.00 1.00 H new ATOM 0 HB VAL A 25 5.872 -8.078 -0.225 1.00 1.00 H new ATOM 0 HG11 VAL A 25 4.687 -6.062 0.600 1.00 1.00 H new ATOM 0 HG12 VAL A 25 4.127 -7.522 1.449 1.00 1.00 H new ATOM 0 HG13 VAL A 25 5.254 -6.403 2.252 1.00 1.00 H new ATOM 0 HG21 VAL A 25 7.064 -5.903 -0.185 1.00 1.00 H new ATOM 0 HG22 VAL A 25 7.631 -6.243 1.467 1.00 1.00 H new ATOM 0 HG23 VAL A 25 8.187 -7.251 0.110 1.00 1.00 H new ATOM 397 N THR A 26 4.736 -9.495 3.122 1.00 1.00 N ATOM 398 CA THR A 26 3.572 -10.308 3.477 1.00 1.00 C ATOM 399 C THR A 26 2.484 -9.443 4.102 1.00 1.00 C ATOM 400 O THR A 26 2.741 -8.321 4.540 1.00 1.00 O ATOM 401 CB THR A 26 3.993 -11.410 4.461 1.00 1.00 C ATOM 402 OG1 THR A 26 4.979 -10.896 5.347 1.00 1.00 O ATOM 403 CG2 THR A 26 4.562 -12.599 3.690 1.00 1.00 C ATOM 0 H THR A 26 5.013 -8.819 3.834 1.00 1.00 H new ATOM 0 HA THR A 26 3.173 -10.763 2.570 1.00 1.00 H new ATOM 0 HB THR A 26 3.125 -11.739 5.033 1.00 1.00 H new ATOM 0 HG1 THR A 26 5.249 -11.596 5.978 1.00 1.00 H new ATOM 0 HG21 THR A 26 4.860 -13.379 4.391 1.00 1.00 H new ATOM 0 HG22 THR A 26 3.803 -12.990 3.013 1.00 1.00 H new ATOM 0 HG23 THR A 26 5.430 -12.278 3.115 1.00 1.00 H new ATOM 411 N ALA A 27 1.268 -9.978 4.148 1.00 1.00 N ATOM 412 CA ALA A 27 0.148 -9.257 4.727 1.00 1.00 C ATOM 413 C ALA A 27 0.428 -8.920 6.186 1.00 1.00 C ATOM 414 O ALA A 27 -0.150 -7.987 6.741 1.00 1.00 O ATOM 415 CB ALA A 27 -1.122 -10.104 4.625 1.00 1.00 C ATOM 0 H ALA A 27 1.037 -10.905 3.792 1.00 1.00 H new ATOM 0 HA ALA A 27 0.008 -8.328 4.175 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -1.959 -9.559 5.061 1.00 1.00 H new ATOM 0 HB2 ALA A 27 -1.334 -10.317 3.577 1.00 1.00 H new ATOM 0 HB3 ALA A 27 -0.979 -11.040 5.164 1.00 1.00 H new ATOM 421 N ASP A 28 1.300 -9.700 6.810 1.00 1.00 N ATOM 422 CA ASP A 28 1.639 -9.486 8.216 1.00 1.00 C ATOM 423 C ASP A 28 2.797 -8.504 8.345 1.00 1.00 C ATOM 424 O ASP A 28 3.043 -7.954 9.419 1.00 1.00 O ATOM 425 CB ASP A 28 2.019 -10.816 8.871 1.00 1.00 C ATOM 426 CG ASP A 28 2.076 -10.653 10.387 1.00 1.00 C ATOM 427 OD1 ASP A 28 1.996 -9.526 10.846 1.00 1.00 O ATOM 428 OD2 ASP A 28 2.193 -11.659 11.067 1.00 1.00 O ATOM 0 H ASP A 28 1.785 -10.483 6.371 1.00 1.00 H new ATOM 0 HA ASP A 28 0.767 -9.069 8.720 1.00 1.00 H new ATOM 0 HB2 ASP A 28 1.291 -11.582 8.606 1.00 1.00 H new ATOM 0 HB3 ASP A 28 2.986 -11.152 8.496 1.00 1.00 H new ATOM 433 N SER A 29 3.515 -8.294 7.243 1.00 1.00 N ATOM 434 CA SER A 29 4.653 -7.384 7.252 1.00 1.00 C ATOM 435 C SER A 29 4.183 -5.939 7.353 1.00 1.00 C ATOM 436 O SER A 29 3.162 -5.566 6.775 1.00 1.00 O ATOM 437 CB SER A 29 5.473 -7.568 5.975 1.00 1.00 C ATOM 438 OG SER A 29 4.743 -7.047 4.871 1.00 1.00 O ATOM 0 H SER A 29 3.330 -8.737 6.343 1.00 1.00 H new ATOM 0 HA SER A 29 5.272 -7.612 8.120 1.00 1.00 H new ATOM 0 HB2 SER A 29 6.431 -7.056 6.067 1.00 1.00 H new ATOM 0 HB3 SER A 29 5.690 -8.624 5.817 1.00 1.00 H new ATOM 0 HG SER A 29 3.800 -7.300 4.954 1.00 1.00 H new ATOM 444 N GLU A 30 4.937 -5.124 8.085 1.00 1.00 N ATOM 445 CA GLU A 30 4.594 -3.712 8.253 1.00 1.00 C ATOM 446 C GLU A 30 5.429 -2.849 7.318 1.00 1.00 C ATOM 447 O GLU A 30 6.585 -3.156 7.048 1.00 1.00 O ATOM 448 CB GLU A 30 4.832 -3.285 9.698 1.00 1.00 C ATOM 449 CG GLU A 30 3.813 -3.969 10.609 1.00 1.00 C ATOM 450 CD GLU A 30 4.122 -3.656 12.068 1.00 1.00 C ATOM 451 OE1 GLU A 30 5.081 -2.943 12.309 1.00 1.00 O ATOM 452 OE2 GLU A 30 3.395 -4.135 12.923 1.00 1.00 O ATOM 0 H GLU A 30 5.786 -5.414 8.570 1.00 1.00 H new ATOM 0 HA GLU A 30 3.540 -3.579 8.008 1.00 1.00 H new ATOM 0 HB2 GLU A 30 5.844 -3.550 10.004 1.00 1.00 H new ATOM 0 HB3 GLU A 30 4.745 -2.202 9.787 1.00 1.00 H new ATOM 0 HG2 GLU A 30 2.807 -3.630 10.361 1.00 1.00 H new ATOM 0 HG3 GLU A 30 3.835 -5.047 10.448 1.00 1.00 H new ATOM 459 N PHE A 31 4.836 -1.767 6.830 1.00 1.00 N ATOM 460 CA PHE A 31 5.537 -0.871 5.916 1.00 1.00 C ATOM 461 C PHE A 31 6.864 -0.419 6.514 1.00 1.00 C ATOM 462 O PHE A 31 7.880 -0.369 5.823 1.00 1.00 O ATOM 463 CB PHE A 31 4.666 0.355 5.624 1.00 1.00 C ATOM 464 CG PHE A 31 3.521 -0.041 4.724 1.00 1.00 C ATOM 465 CD1 PHE A 31 3.733 -0.194 3.347 1.00 1.00 C ATOM 466 CD2 PHE A 31 2.244 -0.250 5.261 1.00 1.00 C ATOM 467 CE1 PHE A 31 2.670 -0.560 2.516 1.00 1.00 C ATOM 468 CE2 PHE A 31 1.185 -0.616 4.424 1.00 1.00 C ATOM 469 CZ PHE A 31 1.396 -0.768 3.053 1.00 1.00 C ATOM 0 H PHE A 31 3.879 -1.489 7.049 1.00 1.00 H new ATOM 0 HA PHE A 31 5.736 -1.411 4.990 1.00 1.00 H new ATOM 0 HB2 PHE A 31 4.283 0.772 6.555 1.00 1.00 H new ATOM 0 HB3 PHE A 31 5.263 1.133 5.149 1.00 1.00 H new ATOM 0 HD1 PHE A 31 4.715 -0.030 2.929 1.00 1.00 H new ATOM 0 HD2 PHE A 31 2.077 -0.129 6.321 1.00 1.00 H new ATOM 0 HE1 PHE A 31 2.834 -0.682 1.456 1.00 1.00 H new ATOM 0 HE2 PHE A 31 0.202 -0.781 4.840 1.00 1.00 H new ATOM 0 HZ PHE A 31 0.576 -1.046 2.407 1.00 1.00 H new ATOM 479 N SER A 32 6.846 -0.087 7.800 1.00 1.00 N ATOM 480 CA SER A 32 8.055 0.361 8.480 1.00 1.00 C ATOM 481 C SER A 32 9.122 -0.730 8.468 1.00 1.00 C ATOM 482 O SER A 32 10.303 -0.454 8.256 1.00 1.00 O ATOM 483 CB SER A 32 7.731 0.742 9.924 1.00 1.00 C ATOM 484 OG SER A 32 6.785 1.801 9.928 1.00 1.00 O ATOM 0 H SER A 32 6.014 -0.119 8.389 1.00 1.00 H new ATOM 0 HA SER A 32 8.441 1.232 7.950 1.00 1.00 H new ATOM 0 HB2 SER A 32 7.332 -0.120 10.459 1.00 1.00 H new ATOM 0 HB3 SER A 32 8.639 1.048 10.444 1.00 1.00 H new ATOM 0 HG SER A 32 6.573 2.047 10.853 1.00 1.00 H new ATOM 490 N LYS A 33 8.700 -1.965 8.705 1.00 1.00 N ATOM 491 CA LYS A 33 9.626 -3.090 8.727 1.00 1.00 C ATOM 492 C LYS A 33 10.289 -3.275 7.367 1.00 1.00 C ATOM 493 O LYS A 33 11.471 -3.607 7.284 1.00 1.00 O ATOM 494 CB LYS A 33 8.887 -4.372 9.120 1.00 1.00 C ATOM 495 CG LYS A 33 8.556 -4.336 10.614 1.00 1.00 C ATOM 496 CD LYS A 33 7.772 -5.595 10.993 1.00 1.00 C ATOM 497 CE LYS A 33 7.456 -5.569 12.489 1.00 1.00 C ATOM 498 NZ LYS A 33 6.706 -6.802 12.860 1.00 1.00 N ATOM 0 H LYS A 33 7.727 -2.213 8.884 1.00 1.00 H new ATOM 0 HA LYS A 33 10.400 -2.878 9.464 1.00 1.00 H new ATOM 0 HB2 LYS A 33 7.971 -4.469 8.537 1.00 1.00 H new ATOM 0 HB3 LYS A 33 9.503 -5.243 8.894 1.00 1.00 H new ATOM 0 HG2 LYS A 33 9.474 -4.276 11.199 1.00 1.00 H new ATOM 0 HG3 LYS A 33 7.971 -3.446 10.846 1.00 1.00 H new ATOM 0 HD2 LYS A 33 6.849 -5.648 10.416 1.00 1.00 H new ATOM 0 HD3 LYS A 33 8.352 -6.485 10.749 1.00 1.00 H new ATOM 0 HE2 LYS A 33 8.379 -5.505 13.065 1.00 1.00 H new ATOM 0 HE3 LYS A 33 6.866 -4.685 12.732 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 6.491 -6.785 13.877 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 5.819 -6.845 12.319 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 7.284 -7.639 12.643 1.00 1.00 H new ATOM 512 N LEU A 34 9.518 -3.069 6.309 1.00 1.00 N ATOM 513 CA LEU A 34 10.037 -3.228 4.957 1.00 1.00 C ATOM 514 C LEU A 34 11.095 -2.182 4.663 1.00 1.00 C ATOM 515 O LEU A 34 11.863 -2.318 3.711 1.00 1.00 O ATOM 516 CB LEU A 34 8.897 -3.102 3.943 1.00 1.00 C ATOM 517 CG LEU A 34 7.853 -4.193 4.203 1.00 1.00 C ATOM 518 CD1 LEU A 34 6.665 -3.998 3.258 1.00 1.00 C ATOM 519 CD2 LEU A 34 8.473 -5.580 3.975 1.00 1.00 C ATOM 0 H LEU A 34 8.537 -2.793 6.359 1.00 1.00 H new ATOM 0 HA LEU A 34 10.489 -4.216 4.876 1.00 1.00 H new ATOM 0 HB2 LEU A 34 8.436 -2.118 4.020 1.00 1.00 H new ATOM 0 HB3 LEU A 34 9.287 -3.192 2.929 1.00 1.00 H new ATOM 0 HG LEU A 34 7.512 -4.123 5.236 1.00 1.00 H new ATOM 0 HD11 LEU A 34 5.922 -4.774 3.443 1.00 1.00 H new ATOM 0 HD12 LEU A 34 6.218 -3.019 3.432 1.00 1.00 H new ATOM 0 HD13 LEU A 34 7.007 -4.062 2.225 1.00 1.00 H new ATOM 0 HD21 LEU A 34 7.723 -6.349 4.162 1.00 1.00 H new ATOM 0 HD22 LEU A 34 8.823 -5.657 2.946 1.00 1.00 H new ATOM 0 HD23 LEU A 34 9.313 -5.719 4.655 1.00 1.00 H new ATOM 531 N GLY A 35 11.146 -1.146 5.491 1.00 1.00 N ATOM 532 CA GLY A 35 12.130 -0.079 5.318 1.00 1.00 C ATOM 533 C GLY A 35 11.459 1.214 4.873 1.00 1.00 C ATOM 534 O GLY A 35 12.093 2.268 4.833 1.00 1.00 O ATOM 0 H GLY A 35 10.521 -1.020 6.287 1.00 1.00 H new ATOM 0 HA2 GLY A 35 12.661 0.086 6.255 1.00 1.00 H new ATOM 0 HA3 GLY A 35 12.873 -0.380 4.580 1.00 1.00 H new ATOM 538 N ALA A 36 10.176 1.125 4.537 1.00 1.00 N ATOM 539 CA ALA A 36 9.433 2.298 4.093 1.00 1.00 C ATOM 540 C ALA A 36 9.423 3.366 5.178 1.00 1.00 C ATOM 541 O ALA A 36 8.774 3.209 6.213 1.00 1.00 O ATOM 542 CB ALA A 36 7.996 1.902 3.750 1.00 1.00 C ATOM 0 H ALA A 36 9.634 0.261 4.563 1.00 1.00 H new ATOM 0 HA ALA A 36 9.921 2.703 3.206 1.00 1.00 H new ATOM 0 HB1 ALA A 36 7.445 2.782 3.419 1.00 1.00 H new ATOM 0 HB2 ALA A 36 8.004 1.158 2.953 1.00 1.00 H new ATOM 0 HB3 ALA A 36 7.513 1.483 4.633 1.00 1.00 H new ATOM 548 N ASP A 37 10.145 4.457 4.938 1.00 1.00 N ATOM 549 CA ASP A 37 10.211 5.552 5.902 1.00 1.00 C ATOM 550 C ASP A 37 9.132 6.588 5.608 1.00 1.00 C ATOM 551 O ASP A 37 8.259 6.372 4.767 1.00 1.00 O ATOM 552 CB ASP A 37 11.585 6.216 5.848 1.00 1.00 C ATOM 553 CG ASP A 37 11.783 7.117 7.060 1.00 1.00 C ATOM 554 OD1 ASP A 37 11.030 6.973 8.009 1.00 1.00 O ATOM 555 OD2 ASP A 37 12.681 7.942 7.021 1.00 1.00 O ATOM 0 H ASP A 37 10.690 4.607 4.089 1.00 1.00 H new ATOM 0 HA ASP A 37 10.046 5.143 6.899 1.00 1.00 H new ATOM 0 HB2 ASP A 37 12.364 5.454 5.821 1.00 1.00 H new ATOM 0 HB3 ASP A 37 11.679 6.800 4.933 1.00 1.00 H new ATOM 560 N SER A 38 9.200 7.714 6.306 1.00 1.00 N ATOM 561 CA SER A 38 8.226 8.784 6.116 1.00 1.00 C ATOM 562 C SER A 38 8.306 9.333 4.696 1.00 1.00 C ATOM 563 O SER A 38 7.289 9.634 4.073 1.00 1.00 O ATOM 564 CB SER A 38 8.480 9.910 7.118 1.00 1.00 C ATOM 0 H SER A 38 9.915 7.911 7.006 1.00 1.00 H new ATOM 0 HA SER A 38 7.229 8.375 6.280 1.00 1.00 H new ATOM 569 N LEU A 39 9.524 9.469 4.190 1.00 1.00 N ATOM 570 CA LEU A 39 9.727 9.982 2.842 1.00 1.00 C ATOM 571 C LEU A 39 9.242 8.988 1.802 1.00 1.00 C ATOM 572 O LEU A 39 8.649 9.373 0.798 1.00 1.00 O ATOM 573 CB LEU A 39 11.213 10.277 2.612 1.00 1.00 C ATOM 574 CG LEU A 39 11.660 11.453 3.514 1.00 1.00 C ATOM 575 CD1 LEU A 39 12.202 10.913 4.840 1.00 1.00 C ATOM 576 CD2 LEU A 39 12.754 12.256 2.806 1.00 1.00 C ATOM 0 H LEU A 39 10.382 9.233 4.689 1.00 1.00 H new ATOM 0 HA LEU A 39 9.150 10.901 2.740 1.00 1.00 H new ATOM 0 HB2 LEU A 39 11.808 9.391 2.833 1.00 1.00 H new ATOM 0 HB3 LEU A 39 11.386 10.524 1.565 1.00 1.00 H new ATOM 0 HG LEU A 39 10.804 12.098 3.711 1.00 1.00 H new ATOM 0 HD11 LEU A 39 12.515 11.745 5.471 1.00 1.00 H new ATOM 0 HD12 LEU A 39 11.422 10.346 5.348 1.00 1.00 H new ATOM 0 HD13 LEU A 39 13.055 10.263 4.647 1.00 1.00 H new ATOM 0 HD21 LEU A 39 13.068 13.084 3.442 1.00 1.00 H new ATOM 0 HD22 LEU A 39 13.608 11.609 2.605 1.00 1.00 H new ATOM 0 HD23 LEU A 39 12.367 12.648 1.866 1.00 1.00 H new ATOM 588 N ASP A 40 9.506 7.713 2.042 1.00 1.00 N ATOM 589 CA ASP A 40 9.104 6.668 1.108 1.00 1.00 C ATOM 590 C ASP A 40 7.597 6.481 1.144 1.00 1.00 C ATOM 591 O ASP A 40 6.963 6.336 0.103 1.00 1.00 O ATOM 592 CB ASP A 40 9.807 5.348 1.474 1.00 1.00 C ATOM 593 CG ASP A 40 11.201 5.301 0.853 1.00 1.00 C ATOM 594 OD1 ASP A 40 11.335 5.705 -0.290 1.00 1.00 O ATOM 595 OD2 ASP A 40 12.114 4.860 1.530 1.00 1.00 O ATOM 0 H ASP A 40 9.995 7.376 2.871 1.00 1.00 H new ATOM 0 HA ASP A 40 9.394 6.963 0.100 1.00 1.00 H new ATOM 0 HB2 ASP A 40 9.881 5.255 2.558 1.00 1.00 H new ATOM 0 HB3 ASP A 40 9.216 4.503 1.121 1.00 1.00 H new ATOM 600 N THR A 41 7.031 6.483 2.343 1.00 1.00 N ATOM 601 CA THR A 41 5.594 6.293 2.495 1.00 1.00 C ATOM 602 C THR A 41 4.833 7.156 1.497 1.00 1.00 C ATOM 603 O THR A 41 3.774 6.769 1.014 1.00 1.00 O ATOM 604 CB THR A 41 5.181 6.665 3.926 1.00 1.00 C ATOM 605 OG1 THR A 41 6.034 7.683 4.412 1.00 1.00 O ATOM 606 CG2 THR A 41 5.269 5.437 4.832 1.00 1.00 C ATOM 0 H THR A 41 7.539 6.613 3.218 1.00 1.00 H new ATOM 0 HA THR A 41 5.352 5.248 2.303 1.00 1.00 H new ATOM 0 HB THR A 41 4.152 7.026 3.921 1.00 1.00 H new ATOM 0 HG1 THR A 41 6.121 8.387 3.736 1.00 1.00 H new ATOM 0 HG21 THR A 41 4.974 5.710 5.845 1.00 1.00 H new ATOM 0 HG22 THR A 41 4.603 4.660 4.457 1.00 1.00 H new ATOM 0 HG23 THR A 41 6.293 5.064 4.840 1.00 1.00 H new ATOM 614 N VAL A 42 5.392 8.308 1.180 1.00 1.00 N ATOM 615 CA VAL A 42 4.774 9.211 0.217 1.00 1.00 C ATOM 616 C VAL A 42 4.793 8.588 -1.177 1.00 1.00 C ATOM 617 O VAL A 42 3.821 8.673 -1.920 1.00 1.00 O ATOM 618 CB VAL A 42 5.509 10.557 0.203 1.00 1.00 C ATOM 619 CG1 VAL A 42 5.111 11.352 -1.047 1.00 1.00 C ATOM 620 CG2 VAL A 42 5.124 11.360 1.448 1.00 1.00 C ATOM 0 H VAL A 42 6.272 8.644 1.572 1.00 1.00 H new ATOM 0 HA VAL A 42 3.739 9.380 0.513 1.00 1.00 H new ATOM 0 HB VAL A 42 6.584 10.378 0.195 1.00 1.00 H new ATOM 0 HG11 VAL A 42 5.635 12.307 -1.053 1.00 1.00 H new ATOM 0 HG12 VAL A 42 5.379 10.786 -1.939 1.00 1.00 H new ATOM 0 HG13 VAL A 42 4.035 11.529 -1.039 1.00 1.00 H new ATOM 0 HG21 VAL A 42 5.646 12.317 1.439 1.00 1.00 H new ATOM 0 HG22 VAL A 42 4.048 11.533 1.451 1.00 1.00 H new ATOM 0 HG23 VAL A 42 5.404 10.802 2.342 1.00 1.00 H new ATOM 630 N GLU A 43 5.917 7.991 -1.535 1.00 1.00 N ATOM 631 CA GLU A 43 6.053 7.377 -2.849 1.00 1.00 C ATOM 632 C GLU A 43 5.156 6.152 -2.956 1.00 1.00 C ATOM 633 O GLU A 43 4.596 5.873 -4.014 1.00 1.00 O ATOM 634 CB GLU A 43 7.522 6.981 -3.080 1.00 1.00 C ATOM 635 CG GLU A 43 8.303 8.172 -3.640 1.00 1.00 C ATOM 636 CD GLU A 43 8.340 9.293 -2.612 1.00 1.00 C ATOM 637 OE1 GLU A 43 8.111 9.008 -1.450 1.00 1.00 O ATOM 638 OE2 GLU A 43 8.588 10.420 -3.002 1.00 1.00 O ATOM 0 H GLU A 43 6.743 7.917 -0.942 1.00 1.00 H new ATOM 0 HA GLU A 43 5.749 8.094 -3.612 1.00 1.00 H new ATOM 0 HB2 GLU A 43 7.970 6.650 -2.143 1.00 1.00 H new ATOM 0 HB3 GLU A 43 7.576 6.142 -3.773 1.00 1.00 H new ATOM 0 HG2 GLU A 43 9.318 7.866 -3.895 1.00 1.00 H new ATOM 0 HG3 GLU A 43 7.836 8.525 -4.560 1.00 1.00 H new ATOM 645 N ILE A 44 5.041 5.414 -1.857 1.00 1.00 N ATOM 646 CA ILE A 44 4.215 4.212 -1.851 1.00 1.00 C ATOM 647 C ILE A 44 2.758 4.551 -2.109 1.00 1.00 C ATOM 648 O ILE A 44 2.131 3.979 -2.999 1.00 1.00 O ATOM 649 CB ILE A 44 4.339 3.506 -0.495 1.00 1.00 C ATOM 650 CG1 ILE A 44 5.815 3.223 -0.194 1.00 1.00 C ATOM 651 CG2 ILE A 44 3.569 2.193 -0.526 1.00 1.00 C ATOM 652 CD1 ILE A 44 6.434 2.387 -1.322 1.00 1.00 C ATOM 0 H ILE A 44 5.502 5.622 -0.971 1.00 1.00 H new ATOM 0 HA ILE A 44 4.565 3.554 -2.646 1.00 1.00 H new ATOM 0 HB ILE A 44 3.926 4.150 0.282 1.00 1.00 H new ATOM 0 HG12 ILE A 44 6.358 4.162 -0.087 1.00 1.00 H new ATOM 0 HG13 ILE A 44 5.905 2.692 0.754 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.660 1.695 0.439 1.00 1.00 H new ATOM 0 HG22 ILE A 44 2.518 2.393 -0.734 1.00 1.00 H new ATOM 0 HG23 ILE A 44 3.977 1.550 -1.306 1.00 1.00 H new ATOM 0 HD11 ILE A 44 7.483 2.192 -1.097 1.00 1.00 H new ATOM 0 HD12 ILE A 44 5.900 1.441 -1.409 1.00 1.00 H new ATOM 0 HD13 ILE A 44 6.360 2.933 -2.262 1.00 1.00 H new ATOM 664 N VAL A 45 2.226 5.480 -1.329 1.00 1.00 N ATOM 665 CA VAL A 45 0.835 5.883 -1.481 1.00 1.00 C ATOM 666 C VAL A 45 0.624 6.616 -2.800 1.00 1.00 C ATOM 667 O VAL A 45 -0.368 6.399 -3.489 1.00 1.00 O ATOM 668 CB VAL A 45 0.421 6.787 -0.318 1.00 1.00 C ATOM 669 CG1 VAL A 45 1.260 8.061 -0.337 1.00 1.00 C ATOM 670 CG2 VAL A 45 -1.059 7.149 -0.452 1.00 1.00 C ATOM 0 H VAL A 45 2.732 5.967 -0.589 1.00 1.00 H new ATOM 0 HA VAL A 45 0.218 4.985 -1.480 1.00 1.00 H new ATOM 0 HB VAL A 45 0.582 6.261 0.623 1.00 1.00 H new ATOM 0 HG11 VAL A 45 0.964 8.704 0.492 1.00 1.00 H new ATOM 0 HG12 VAL A 45 2.315 7.804 -0.238 1.00 1.00 H new ATOM 0 HG13 VAL A 45 1.102 8.587 -1.279 1.00 1.00 H new ATOM 0 HG21 VAL A 45 -1.353 7.793 0.377 1.00 1.00 H new ATOM 0 HG22 VAL A 45 -1.222 7.673 -1.394 1.00 1.00 H new ATOM 0 HG23 VAL A 45 -1.659 6.239 -0.435 1.00 1.00 H new ATOM 680 N MET A 46 1.559 7.496 -3.136 1.00 1.00 N ATOM 681 CA MET A 46 1.452 8.271 -4.364 1.00 1.00 C ATOM 682 C MET A 46 1.382 7.349 -5.572 1.00 1.00 C ATOM 683 O MET A 46 0.563 7.549 -6.469 1.00 1.00 O ATOM 684 CB MET A 46 2.659 9.200 -4.498 1.00 1.00 C ATOM 685 CG MET A 46 2.490 10.093 -5.729 1.00 1.00 C ATOM 686 SD MET A 46 3.911 11.207 -5.868 1.00 1.00 S ATOM 687 CE MET A 46 3.635 12.128 -4.331 1.00 1.00 C ATOM 0 H MET A 46 2.392 7.689 -2.581 1.00 1.00 H new ATOM 0 HA MET A 46 0.539 8.864 -4.321 1.00 1.00 H new ATOM 0 HB2 MET A 46 2.759 9.814 -3.603 1.00 1.00 H new ATOM 0 HB3 MET A 46 3.573 8.613 -4.585 1.00 1.00 H new ATOM 0 HG2 MET A 46 2.406 9.481 -6.627 1.00 1.00 H new ATOM 0 HG3 MET A 46 1.569 10.670 -5.649 1.00 1.00 H new ATOM 0 HE1 MET A 46 4.164 13.080 -4.377 1.00 1.00 H new ATOM 0 HE2 MET A 46 2.568 12.311 -4.203 1.00 1.00 H new ATOM 0 HE3 MET A 46 4.007 11.547 -3.487 1.00 1.00 H new ATOM 697 N ASN A 47 2.248 6.340 -5.595 1.00 1.00 N ATOM 698 CA ASN A 47 2.267 5.395 -6.703 1.00 1.00 C ATOM 699 C ASN A 47 0.975 4.583 -6.744 1.00 1.00 C ATOM 700 O ASN A 47 0.409 4.356 -7.812 1.00 1.00 O ATOM 701 CB ASN A 47 3.469 4.453 -6.558 1.00 1.00 C ATOM 702 CG ASN A 47 4.737 5.143 -7.049 1.00 1.00 C ATOM 703 OD1 ASN A 47 5.602 4.500 -7.645 1.00 1.00 O ATOM 704 ND2 ASN A 47 4.901 6.419 -6.832 1.00 1.00 N ATOM 0 H ASN A 47 2.938 6.158 -4.867 1.00 1.00 H new ATOM 0 HA ASN A 47 2.352 5.954 -7.635 1.00 1.00 H new ATOM 0 HB2 ASN A 47 3.586 4.158 -5.515 1.00 1.00 H new ATOM 0 HB3 ASN A 47 3.297 3.541 -7.130 1.00 1.00 H new ATOM 0 HD21 ASN A 47 5.747 6.887 -7.156 1.00 1.00 H new ATOM 0 HD22 ASN A 47 4.183 6.949 -6.338 1.00 1.00 H new ATOM 711 N LEU A 48 0.526 4.135 -5.576 1.00 1.00 N ATOM 712 CA LEU A 48 -0.689 3.337 -5.497 1.00 1.00 C ATOM 713 C LEU A 48 -1.894 4.147 -5.940 1.00 1.00 C ATOM 714 O LEU A 48 -2.741 3.659 -6.686 1.00 1.00 O ATOM 715 CB LEU A 48 -0.893 2.853 -4.057 1.00 1.00 C ATOM 716 CG LEU A 48 0.201 1.842 -3.689 1.00 1.00 C ATOM 717 CD1 LEU A 48 0.316 1.747 -2.165 1.00 1.00 C ATOM 718 CD2 LEU A 48 -0.156 0.461 -4.251 1.00 1.00 C ATOM 0 H LEU A 48 0.981 4.309 -4.680 1.00 1.00 H new ATOM 0 HA LEU A 48 -0.586 2.479 -6.161 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -0.864 3.700 -3.371 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -1.876 2.393 -3.954 1.00 1.00 H new ATOM 0 HG LEU A 48 1.149 2.173 -4.112 1.00 1.00 H new ATOM 0 HD11 LEU A 48 1.093 1.029 -1.903 1.00 1.00 H new ATOM 0 HD12 LEU A 48 0.573 2.725 -1.758 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -0.636 1.419 -1.748 1.00 1.00 H new ATOM 0 HD21 LEU A 48 0.625 -0.252 -3.986 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -1.106 0.132 -3.831 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -0.240 0.520 -5.336 1.00 1.00 H new ATOM 730 N GLU A 49 -1.960 5.390 -5.490 1.00 1.00 N ATOM 731 CA GLU A 49 -3.067 6.262 -5.855 1.00 1.00 C ATOM 732 C GLU A 49 -3.130 6.454 -7.364 1.00 1.00 C ATOM 733 O GLU A 49 -4.210 6.521 -7.949 1.00 1.00 O ATOM 734 CB GLU A 49 -2.911 7.621 -5.167 1.00 1.00 C ATOM 735 CG GLU A 49 -3.243 7.489 -3.679 1.00 1.00 C ATOM 736 CD GLU A 49 -2.970 8.807 -2.964 1.00 1.00 C ATOM 737 OE1 GLU A 49 -2.507 9.728 -3.618 1.00 1.00 O ATOM 738 OE2 GLU A 49 -3.226 8.877 -1.774 1.00 1.00 O ATOM 0 H GLU A 49 -1.266 5.816 -4.876 1.00 1.00 H new ATOM 0 HA GLU A 49 -3.995 5.794 -5.526 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -1.892 7.987 -5.291 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -3.571 8.353 -5.633 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -4.289 7.209 -3.555 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -2.645 6.694 -3.234 1.00 1.00 H new ATOM 745 N GLU A 50 -1.967 6.543 -7.983 1.00 1.00 N ATOM 746 CA GLU A 50 -1.894 6.726 -9.427 1.00 1.00 C ATOM 747 C GLU A 50 -2.224 5.428 -10.156 1.00 1.00 C ATOM 748 O GLU A 50 -2.839 5.442 -11.224 1.00 1.00 O ATOM 749 CB GLU A 50 -0.491 7.202 -9.831 1.00 1.00 C ATOM 750 CG GLU A 50 -0.538 7.831 -11.229 1.00 1.00 C ATOM 751 CD GLU A 50 -0.812 6.755 -12.274 1.00 1.00 C ATOM 752 OE1 GLU A 50 -0.383 5.631 -12.067 1.00 1.00 O ATOM 753 OE2 GLU A 50 -1.451 7.068 -13.264 1.00 1.00 O ATOM 0 H GLU A 50 -1.062 6.492 -7.514 1.00 1.00 H new ATOM 0 HA GLU A 50 -2.627 7.481 -9.710 1.00 1.00 H new ATOM 0 HB2 GLU A 50 -0.121 7.929 -9.108 1.00 1.00 H new ATOM 0 HB3 GLU A 50 0.204 6.362 -9.823 1.00 1.00 H new ATOM 0 HG2 GLU A 50 -1.315 8.594 -11.268 1.00 1.00 H new ATOM 0 HG3 GLU A 50 0.408 8.328 -11.446 1.00 1.00 H new ATOM 760 N GLU A 51 -1.789 4.307 -9.583 1.00 1.00 N ATOM 761 CA GLU A 51 -2.028 3.012 -10.199 1.00 1.00 C ATOM 762 C GLU A 51 -3.515 2.694 -10.216 1.00 1.00 C ATOM 763 O GLU A 51 -4.045 2.215 -11.218 1.00 1.00 O ATOM 764 CB GLU A 51 -1.279 1.925 -9.424 1.00 1.00 C ATOM 765 CG GLU A 51 -1.356 0.601 -10.190 1.00 1.00 C ATOM 766 CD GLU A 51 -0.481 0.671 -11.437 1.00 1.00 C ATOM 767 OE1 GLU A 51 0.218 1.659 -11.592 1.00 1.00 O ATOM 768 OE2 GLU A 51 -0.525 -0.263 -12.219 1.00 1.00 O ATOM 0 H GLU A 51 -1.275 4.273 -8.703 1.00 1.00 H new ATOM 0 HA GLU A 51 -1.666 3.044 -11.226 1.00 1.00 H new ATOM 0 HB2 GLU A 51 -0.238 2.216 -9.285 1.00 1.00 H new ATOM 0 HB3 GLU A 51 -1.713 1.808 -8.431 1.00 1.00 H new ATOM 0 HG2 GLU A 51 -1.028 -0.219 -9.551 1.00 1.00 H new ATOM 0 HG3 GLU A 51 -2.388 0.393 -10.471 1.00 1.00 H new ATOM 775 N PHE A 52 -4.185 2.948 -9.096 1.00 1.00 N ATOM 776 CA PHE A 52 -5.615 2.673 -8.987 1.00 1.00 C ATOM 777 C PHE A 52 -6.424 3.938 -9.232 1.00 1.00 C ATOM 778 O PHE A 52 -7.654 3.909 -9.244 1.00 1.00 O ATOM 779 CB PHE A 52 -5.935 2.113 -7.603 1.00 1.00 C ATOM 780 CG PHE A 52 -5.209 0.804 -7.404 1.00 1.00 C ATOM 781 CD1 PHE A 52 -5.677 -0.358 -8.028 1.00 1.00 C ATOM 782 CD2 PHE A 52 -4.065 0.751 -6.596 1.00 1.00 C ATOM 783 CE1 PHE A 52 -5.004 -1.571 -7.844 1.00 1.00 C ATOM 784 CE2 PHE A 52 -3.393 -0.461 -6.412 1.00 1.00 C ATOM 785 CZ PHE A 52 -3.862 -1.622 -7.036 1.00 1.00 C ATOM 0 H PHE A 52 -3.764 3.342 -8.255 1.00 1.00 H new ATOM 0 HA PHE A 52 -5.884 1.936 -9.744 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -5.637 2.826 -6.834 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -7.010 1.963 -7.500 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -6.558 -0.319 -8.652 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -3.702 1.647 -6.115 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -5.366 -2.468 -8.325 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -2.512 -0.501 -5.788 1.00 1.00 H new ATOM 0 HZ PHE A 52 -3.343 -2.558 -6.894 1.00 1.00 H new ATOM 795 N GLY A 53 -5.726 5.050 -9.441 1.00 1.00 N ATOM 796 CA GLY A 53 -6.392 6.318 -9.698 1.00 1.00 C ATOM 797 C GLY A 53 -7.379 6.655 -8.592 1.00 1.00 C ATOM 798 O GLY A 53 -8.546 6.937 -8.858 1.00 1.00 O ATOM 0 H GLY A 53 -4.707 5.097 -9.437 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -5.649 7.112 -9.780 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -6.915 6.270 -10.653 1.00 1.00 H new ATOM 802 N ILE A 54 -6.905 6.630 -7.353 1.00 1.00 N ATOM 803 CA ILE A 54 -7.755 6.944 -6.201 1.00 1.00 C ATOM 804 C ILE A 54 -7.130 8.049 -5.368 1.00 1.00 C ATOM 805 O ILE A 54 -5.911 8.211 -5.351 1.00 1.00 O ATOM 806 CB ILE A 54 -7.950 5.698 -5.344 1.00 1.00 C ATOM 807 CG1 ILE A 54 -6.588 5.158 -4.897 1.00 1.00 C ATOM 808 CG2 ILE A 54 -8.681 4.623 -6.156 1.00 1.00 C ATOM 809 CD1 ILE A 54 -6.782 4.056 -3.850 1.00 1.00 C ATOM 0 H ILE A 54 -5.941 6.397 -7.116 1.00 1.00 H new ATOM 0 HA ILE A 54 -8.724 7.285 -6.565 1.00 1.00 H new ATOM 0 HB ILE A 54 -8.542 5.958 -4.467 1.00 1.00 H new ATOM 0 HG12 ILE A 54 -6.044 4.764 -5.755 1.00 1.00 H new ATOM 0 HG13 ILE A 54 -5.986 5.965 -4.481 1.00 1.00 H new ATOM 0 HG21 ILE A 54 -8.819 3.734 -5.541 1.00 1.00 H new ATOM 0 HG22 ILE A 54 -9.654 5.002 -6.469 1.00 1.00 H new ATOM 0 HG23 ILE A 54 -8.091 4.368 -7.036 1.00 1.00 H new ATOM 0 HD11 ILE A 54 -5.809 3.677 -3.537 1.00 1.00 H new ATOM 0 HD12 ILE A 54 -7.308 4.463 -2.987 1.00 1.00 H new ATOM 0 HD13 ILE A 54 -7.367 3.243 -4.281 1.00 1.00 H new ATOM 821 N ASN A 55 -7.970 8.809 -4.673 1.00 1.00 N ATOM 822 CA ASN A 55 -7.491 9.905 -3.831 1.00 1.00 C ATOM 823 C ASN A 55 -7.704 9.582 -2.361 1.00 1.00 C ATOM 824 O ASN A 55 -8.838 9.474 -1.898 1.00 1.00 O ATOM 825 CB ASN A 55 -8.234 11.193 -4.183 1.00 1.00 C ATOM 826 CG ASN A 55 -9.702 11.075 -3.789 1.00 1.00 C ATOM 827 OD1 ASN A 55 -10.500 10.323 -4.497 1.00 1.00 O flip ATOM 828 ND2 ASN A 55 -10.132 11.682 -2.808 1.00 1.00 N flip ATOM 0 H ASN A 55 -8.983 8.689 -4.674 1.00 1.00 H new ATOM 0 HA ASN A 55 -6.424 10.038 -4.011 1.00 1.00 H new ATOM 0 HB2 ASN A 55 -7.778 12.038 -3.667 1.00 1.00 H new ATOM 0 HB3 ASN A 55 -8.151 11.390 -5.252 1.00 1.00 H new ATOM 0 HD21 ASN A 55 -9.506 12.269 -2.257 1.00 1.00 H new ATOM 0 HD22 ASN A 55 -11.114 11.598 -2.547 1.00 1.00 H new ATOM 835 N VAL A 56 -6.604 9.427 -1.626 1.00 1.00 N ATOM 836 CA VAL A 56 -6.679 9.122 -0.198 1.00 1.00 C ATOM 837 C VAL A 56 -5.744 10.029 0.593 1.00 1.00 C ATOM 838 O VAL A 56 -4.577 10.195 0.240 1.00 1.00 O ATOM 839 CB VAL A 56 -6.298 7.661 0.041 1.00 1.00 C ATOM 840 CG1 VAL A 56 -6.380 7.353 1.538 1.00 1.00 C ATOM 841 CG2 VAL A 56 -7.266 6.753 -0.723 1.00 1.00 C ATOM 0 H VAL A 56 -5.656 9.507 -1.993 1.00 1.00 H new ATOM 0 HA VAL A 56 -7.702 9.292 0.139 1.00 1.00 H new ATOM 0 HB VAL A 56 -5.281 7.485 -0.310 1.00 1.00 H new ATOM 0 HG11 VAL A 56 -6.109 6.312 1.711 1.00 1.00 H new ATOM 0 HG12 VAL A 56 -5.693 8.002 2.081 1.00 1.00 H new ATOM 0 HG13 VAL A 56 -7.397 7.526 1.890 1.00 1.00 H new ATOM 0 HG21 VAL A 56 -6.997 5.710 -0.554 1.00 1.00 H new ATOM 0 HG22 VAL A 56 -8.283 6.927 -0.371 1.00 1.00 H new ATOM 0 HG23 VAL A 56 -7.209 6.975 -1.789 1.00 1.00 H new ATOM 851 N ASP A 57 -6.265 10.610 1.669 1.00 1.00 N ATOM 852 CA ASP A 57 -5.465 11.493 2.512 1.00 1.00 C ATOM 853 C ASP A 57 -4.610 10.678 3.478 1.00 1.00 C ATOM 854 O ASP A 57 -5.048 9.650 3.996 1.00 1.00 O ATOM 855 CB ASP A 57 -6.378 12.431 3.302 1.00 1.00 C ATOM 856 CG ASP A 57 -6.991 13.469 2.368 1.00 1.00 C ATOM 857 OD1 ASP A 57 -6.521 13.579 1.247 1.00 1.00 O ATOM 858 OD2 ASP A 57 -7.923 14.134 2.785 1.00 1.00 O ATOM 0 H ASP A 57 -7.230 10.487 1.977 1.00 1.00 H new ATOM 0 HA ASP A 57 -4.809 12.082 1.871 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -7.166 11.859 3.791 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -5.810 12.928 4.089 1.00 1.00 H new ATOM 863 N GLU A 58 -3.390 11.146 3.720 1.00 1.00 N ATOM 864 CA GLU A 58 -2.484 10.454 4.629 1.00 1.00 C ATOM 865 C GLU A 58 -3.079 10.381 6.030 1.00 1.00 C ATOM 866 O GLU A 58 -2.760 9.482 6.808 1.00 1.00 O ATOM 867 CB GLU A 58 -1.140 11.184 4.678 1.00 1.00 C ATOM 868 CG GLU A 58 -1.335 12.582 5.263 1.00 1.00 C ATOM 869 CD GLU A 58 -0.022 13.356 5.219 1.00 1.00 C ATOM 870 OE1 GLU A 58 1.010 12.744 5.436 1.00 1.00 O ATOM 871 OE2 GLU A 58 -0.069 14.550 4.969 1.00 1.00 O ATOM 0 H GLU A 58 -3.008 11.995 3.303 1.00 1.00 H new ATOM 0 HA GLU A 58 -2.334 9.439 4.261 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -0.431 10.621 5.285 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -0.716 11.254 3.676 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -2.100 13.117 4.700 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -1.688 12.508 6.291 1.00 1.00 H new ATOM 878 N ASP A 59 -3.936 11.341 6.348 1.00 1.00 N ATOM 879 CA ASP A 59 -4.567 11.386 7.664 1.00 1.00 C ATOM 880 C ASP A 59 -5.391 10.127 7.900 1.00 1.00 C ATOM 881 O ASP A 59 -5.393 9.571 8.998 1.00 1.00 O ATOM 882 CB ASP A 59 -5.471 12.617 7.772 1.00 1.00 C ATOM 883 CG ASP A 59 -4.623 13.880 7.884 1.00 1.00 C ATOM 884 OD1 ASP A 59 -3.443 13.756 8.167 1.00 1.00 O ATOM 885 OD2 ASP A 59 -5.167 14.954 7.685 1.00 1.00 O ATOM 0 H ASP A 59 -4.210 12.096 5.719 1.00 1.00 H new ATOM 0 HA ASP A 59 -3.784 11.446 8.420 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -6.119 12.680 6.898 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -6.120 12.526 8.643 1.00 1.00 H new ATOM 890 N LYS A 60 -6.089 9.676 6.864 1.00 1.00 N ATOM 891 CA LYS A 60 -6.912 8.475 6.973 1.00 1.00 C ATOM 892 C LYS A 60 -6.055 7.228 6.814 1.00 1.00 C ATOM 893 O LYS A 60 -6.505 6.118 7.092 1.00 1.00 O ATOM 894 CB LYS A 60 -8.008 8.497 5.899 1.00 1.00 C ATOM 895 CG LYS A 60 -9.191 9.342 6.379 1.00 1.00 C ATOM 896 CD LYS A 60 -8.730 10.782 6.612 1.00 1.00 C ATOM 897 CE LYS A 60 -9.945 11.671 6.865 1.00 1.00 C ATOM 898 NZ LYS A 60 -9.491 13.057 7.172 1.00 1.00 N ATOM 0 H LYS A 60 -6.103 10.119 5.945 1.00 1.00 H new ATOM 0 HA LYS A 60 -7.375 8.456 7.959 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -7.611 8.906 4.970 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -8.339 7.481 5.684 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -9.991 9.320 5.639 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -9.598 8.926 7.300 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -8.051 10.824 7.464 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -8.176 11.143 5.745 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -10.595 11.675 5.990 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -10.531 11.277 7.695 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -10.318 13.663 7.344 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -8.888 13.045 8.019 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -8.950 13.431 6.367 1.00 1.00 H new ATOM 912 N ALA A 61 -4.824 7.417 6.350 1.00 1.00 N ATOM 913 CA ALA A 61 -3.916 6.298 6.146 1.00 1.00 C ATOM 914 C ALA A 61 -3.172 5.967 7.437 1.00 1.00 C ATOM 915 O ALA A 61 -2.243 5.163 7.444 1.00 1.00 O ATOM 916 CB ALA A 61 -2.908 6.633 5.047 1.00 1.00 C ATOM 0 H ALA A 61 -4.436 8.329 6.110 1.00 1.00 H new ATOM 0 HA ALA A 61 -4.504 5.431 5.846 1.00 1.00 H new ATOM 0 HB1 ALA A 61 -2.233 5.789 4.902 1.00 1.00 H new ATOM 0 HB2 ALA A 61 -3.438 6.837 4.117 1.00 1.00 H new ATOM 0 HB3 ALA A 61 -2.332 7.512 5.337 1.00 1.00 H new ATOM 922 N GLN A 62 -3.578 6.609 8.526 1.00 1.00 N ATOM 923 CA GLN A 62 -2.939 6.386 9.818 1.00 1.00 C ATOM 924 C GLN A 62 -3.253 4.992 10.348 1.00 1.00 C ATOM 925 O GLN A 62 -2.389 4.325 10.919 1.00 1.00 O ATOM 926 CB GLN A 62 -3.415 7.436 10.825 1.00 1.00 C ATOM 927 CG GLN A 62 -2.898 8.816 10.413 1.00 1.00 C ATOM 928 CD GLN A 62 -1.382 8.875 10.570 1.00 1.00 C ATOM 929 OE1 GLN A 62 -0.853 8.504 11.617 1.00 1.00 O ATOM 930 NE2 GLN A 62 -0.650 9.322 9.588 1.00 1.00 N ATOM 0 H GLN A 62 -4.342 7.284 8.541 1.00 1.00 H new ATOM 0 HA GLN A 62 -1.861 6.472 9.683 1.00 1.00 H new ATOM 0 HB2 GLN A 62 -4.504 7.443 10.870 1.00 1.00 H new ATOM 0 HB3 GLN A 62 -3.056 7.186 11.823 1.00 1.00 H new ATOM 0 HG2 GLN A 62 -3.173 9.022 9.379 1.00 1.00 H new ATOM 0 HG3 GLN A 62 -3.365 9.586 11.026 1.00 1.00 H new ATOM 0 HE21 GLN A 62 -1.092 9.629 8.721 1.00 1.00 H new ATOM 0 HE22 GLN A 62 0.364 9.365 9.686 1.00 1.00 H new ATOM 939 N ASP A 63 -4.494 4.560 10.158 1.00 1.00 N ATOM 940 CA ASP A 63 -4.916 3.245 10.626 1.00 1.00 C ATOM 941 C ASP A 63 -4.166 2.145 9.883 1.00 1.00 C ATOM 942 O ASP A 63 -4.272 0.969 10.225 1.00 1.00 O ATOM 943 CB ASP A 63 -6.420 3.074 10.414 1.00 1.00 C ATOM 944 CG ASP A 63 -6.877 1.734 10.984 1.00 1.00 C ATOM 945 OD1 ASP A 63 -6.106 1.128 11.710 1.00 1.00 O ATOM 946 OD2 ASP A 63 -7.993 1.337 10.690 1.00 1.00 O ATOM 0 H ASP A 63 -5.222 5.097 9.686 1.00 1.00 H new ATOM 0 HA ASP A 63 -4.688 3.168 11.689 1.00 1.00 H new ATOM 0 HB2 ASP A 63 -6.959 3.888 10.899 1.00 1.00 H new ATOM 0 HB3 ASP A 63 -6.654 3.125 9.351 1.00 1.00 H new ATOM 951 N ILE A 64 -3.411 2.535 8.861 1.00 1.00 N ATOM 952 CA ILE A 64 -2.648 1.575 8.073 1.00 1.00 C ATOM 953 C ILE A 64 -1.365 1.190 8.790 1.00 1.00 C ATOM 954 O ILE A 64 -0.613 2.052 9.241 1.00 1.00 O ATOM 955 CB ILE A 64 -2.310 2.169 6.706 1.00 1.00 C ATOM 956 CG1 ILE A 64 -3.589 2.688 6.051 1.00 1.00 C ATOM 957 CG2 ILE A 64 -1.681 1.101 5.819 1.00 1.00 C ATOM 958 CD1 ILE A 64 -4.596 1.544 5.867 1.00 1.00 C ATOM 0 H ILE A 64 -3.312 3.505 8.560 1.00 1.00 H new ATOM 0 HA ILE A 64 -3.258 0.682 7.940 1.00 1.00 H new ATOM 0 HB ILE A 64 -1.604 2.989 6.833 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -4.028 3.473 6.667 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -3.355 3.135 5.085 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -1.442 1.530 4.846 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -0.768 0.731 6.286 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -2.382 0.276 5.690 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -5.502 1.929 5.399 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -4.159 0.773 5.232 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -4.843 1.117 6.839 1.00 1.00 H new ATOM 970 N SER A 65 -1.113 -0.112 8.888 1.00 1.00 N ATOM 971 CA SER A 65 0.092 -0.606 9.546 1.00 1.00 C ATOM 972 C SER A 65 0.685 -1.772 8.768 1.00 1.00 C ATOM 973 O SER A 65 1.879 -2.047 8.864 1.00 1.00 O ATOM 974 CB SER A 65 -0.237 -1.053 10.968 1.00 1.00 C ATOM 975 OG SER A 65 -0.913 -0.004 11.648 1.00 1.00 O ATOM 0 H SER A 65 -1.725 -0.841 8.522 1.00 1.00 H new ATOM 0 HA SER A 65 0.823 0.202 9.580 1.00 1.00 H new ATOM 0 HB2 SER A 65 -0.860 -1.947 10.945 1.00 1.00 H new ATOM 0 HB3 SER A 65 0.678 -1.316 11.499 1.00 1.00 H new ATOM 0 HG SER A 65 -1.126 -0.290 12.561 1.00 1.00 H new ATOM 981 N THR A 66 -0.156 -2.456 7.995 1.00 1.00 N ATOM 982 CA THR A 66 0.296 -3.597 7.199 1.00 1.00 C ATOM 983 C THR A 66 -0.230 -3.495 5.773 1.00 1.00 C ATOM 984 O THR A 66 -1.058 -2.638 5.466 1.00 1.00 O ATOM 985 CB THR A 66 -0.192 -4.901 7.833 1.00 1.00 C ATOM 986 OG1 THR A 66 -1.607 -4.968 7.748 1.00 1.00 O ATOM 987 CG2 THR A 66 0.239 -4.953 9.300 1.00 1.00 C ATOM 0 H THR A 66 -1.149 -2.242 7.902 1.00 1.00 H new ATOM 0 HA THR A 66 1.386 -3.591 7.174 1.00 1.00 H new ATOM 0 HB THR A 66 0.243 -5.747 7.301 1.00 1.00 H new ATOM 0 HG1 THR A 66 -1.920 -5.804 8.153 1.00 1.00 H new ATOM 0 HG21 THR A 66 -0.110 -5.883 9.749 1.00 1.00 H new ATOM 0 HG22 THR A 66 1.326 -4.906 9.362 1.00 1.00 H new ATOM 0 HG23 THR A 66 -0.192 -4.107 9.836 1.00 1.00 H new ATOM 995 N ILE A 67 0.253 -4.376 4.907 1.00 1.00 N ATOM 996 CA ILE A 67 -0.177 -4.374 3.513 1.00 1.00 C ATOM 997 C ILE A 67 -1.671 -4.621 3.414 1.00 1.00 C ATOM 998 O ILE A 67 -2.365 -3.960 2.641 1.00 1.00 O ATOM 999 CB ILE A 67 0.577 -5.453 2.732 1.00 1.00 C ATOM 1000 CG1 ILE A 67 2.087 -5.254 2.896 1.00 1.00 C ATOM 1001 CG2 ILE A 67 0.203 -5.384 1.257 1.00 1.00 C ATOM 1002 CD1 ILE A 67 2.483 -3.843 2.432 1.00 1.00 C ATOM 0 H ILE A 67 0.937 -5.096 5.141 1.00 1.00 H new ATOM 0 HA ILE A 67 0.045 -3.396 3.085 1.00 1.00 H new ATOM 0 HB ILE A 67 0.301 -6.433 3.123 1.00 1.00 H new ATOM 0 HG12 ILE A 67 2.370 -5.396 3.939 1.00 1.00 H new ATOM 0 HG13 ILE A 67 2.626 -6.002 2.315 1.00 1.00 H new ATOM 0 HG21 ILE A 67 0.744 -6.155 0.708 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -0.869 -5.544 1.146 1.00 1.00 H new ATOM 0 HG23 ILE A 67 0.467 -4.404 0.860 1.00 1.00 H new ATOM 0 HD11 ILE A 67 3.558 -3.709 2.552 1.00 1.00 H new ATOM 0 HD12 ILE A 67 2.216 -3.717 1.383 1.00 1.00 H new ATOM 0 HD13 ILE A 67 1.956 -3.101 3.032 1.00 1.00 H new ATOM 1014 N GLN A 68 -2.162 -5.576 4.187 1.00 1.00 N ATOM 1015 CA GLN A 68 -3.585 -5.893 4.163 1.00 1.00 C ATOM 1016 C GLN A 68 -4.421 -4.652 4.464 1.00 1.00 C ATOM 1017 O GLN A 68 -5.400 -4.374 3.771 1.00 1.00 O ATOM 1018 CB GLN A 68 -3.886 -6.993 5.207 1.00 1.00 C ATOM 1019 CG GLN A 68 -4.086 -8.337 4.505 1.00 1.00 C ATOM 1020 CD GLN A 68 -5.452 -8.361 3.825 1.00 1.00 C ATOM 1021 OE1 GLN A 68 -5.564 -7.952 2.591 1.00 1.00 O flip ATOM 1022 NE2 GLN A 68 -6.446 -8.748 4.439 1.00 1.00 N flip ATOM 0 H GLN A 68 -1.607 -6.140 4.831 1.00 1.00 H new ATOM 0 HA GLN A 68 -3.847 -6.250 3.167 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -3.065 -7.064 5.920 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -4.779 -6.733 5.775 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -3.299 -8.494 3.768 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -4.014 -9.150 5.227 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -6.357 -9.068 5.404 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -7.359 -8.749 3.983 1.00 1.00 H new ATOM 1031 N GLN A 69 -4.037 -3.923 5.504 1.00 1.00 N ATOM 1032 CA GLN A 69 -4.767 -2.724 5.891 1.00 1.00 C ATOM 1033 C GLN A 69 -4.820 -1.745 4.725 1.00 1.00 C ATOM 1034 O GLN A 69 -5.858 -1.141 4.456 1.00 1.00 O ATOM 1035 CB GLN A 69 -4.089 -2.061 7.091 1.00 1.00 C ATOM 1036 CG GLN A 69 -4.190 -2.987 8.307 1.00 1.00 C ATOM 1037 CD GLN A 69 -3.572 -2.315 9.525 1.00 1.00 C ATOM 1038 OE1 GLN A 69 -3.206 -1.143 9.467 1.00 1.00 O ATOM 1039 NE2 GLN A 69 -3.433 -2.988 10.634 1.00 1.00 N ATOM 0 H GLN A 69 -3.231 -4.139 6.090 1.00 1.00 H new ATOM 0 HA GLN A 69 -5.783 -3.006 6.166 1.00 1.00 H new ATOM 0 HB2 GLN A 69 -3.043 -1.854 6.863 1.00 1.00 H new ATOM 0 HB3 GLN A 69 -4.564 -1.104 7.308 1.00 1.00 H new ATOM 0 HG2 GLN A 69 -5.234 -3.228 8.505 1.00 1.00 H new ATOM 0 HG3 GLN A 69 -3.679 -3.928 8.102 1.00 1.00 H new ATOM 0 HE21 GLN A 69 -3.737 -3.961 10.682 1.00 1.00 H new ATOM 0 HE22 GLN A 69 -3.021 -2.542 11.453 1.00 1.00 H new ATOM 1048 N ALA A 70 -3.697 -1.601 4.027 1.00 1.00 N ATOM 1049 CA ALA A 70 -3.635 -0.700 2.882 1.00 1.00 C ATOM 1050 C ALA A 70 -4.564 -1.186 1.773 1.00 1.00 C ATOM 1051 O ALA A 70 -5.249 -0.390 1.133 1.00 1.00 O ATOM 1052 CB ALA A 70 -2.200 -0.634 2.352 1.00 1.00 C ATOM 0 H ALA A 70 -2.826 -2.091 4.232 1.00 1.00 H new ATOM 0 HA ALA A 70 -3.953 0.292 3.202 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -2.159 0.040 1.497 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -1.539 -0.266 3.137 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -1.879 -1.630 2.045 1.00 1.00 H new ATOM 1058 N ALA A 71 -4.585 -2.496 1.555 1.00 1.00 N ATOM 1059 CA ALA A 71 -5.439 -3.079 0.525 1.00 1.00 C ATOM 1060 C ALA A 71 -6.906 -3.010 0.938 1.00 1.00 C ATOM 1061 O ALA A 71 -7.791 -2.829 0.103 1.00 1.00 O ATOM 1062 CB ALA A 71 -5.040 -4.531 0.272 1.00 1.00 C ATOM 0 H ALA A 71 -4.024 -3.172 2.074 1.00 1.00 H new ATOM 0 HA ALA A 71 -5.309 -2.506 -0.393 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -5.684 -4.956 -0.498 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -4.002 -4.571 -0.059 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -5.149 -5.104 1.193 1.00 1.00 H new ATOM 1068 N ASP A 72 -7.155 -3.175 2.234 1.00 1.00 N ATOM 1069 CA ASP A 72 -8.518 -3.148 2.751 1.00 1.00 C ATOM 1070 C ASP A 72 -9.164 -1.792 2.486 1.00 1.00 C ATOM 1071 O ASP A 72 -10.352 -1.704 2.180 1.00 1.00 O ATOM 1072 CB ASP A 72 -8.513 -3.427 4.254 1.00 1.00 C ATOM 1073 CG ASP A 72 -9.942 -3.446 4.785 1.00 1.00 C ATOM 1074 OD1 ASP A 72 -10.844 -3.167 4.013 1.00 1.00 O ATOM 1075 OD2 ASP A 72 -10.113 -3.737 5.958 1.00 1.00 O ATOM 0 H ASP A 72 -6.436 -3.328 2.941 1.00 1.00 H new ATOM 0 HA ASP A 72 -9.095 -3.919 2.241 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -8.029 -4.383 4.453 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -7.934 -2.663 4.772 1.00 1.00 H new ATOM 1080 N VAL A 73 -8.376 -0.733 2.619 1.00 1.00 N ATOM 1081 CA VAL A 73 -8.880 0.613 2.384 1.00 1.00 C ATOM 1082 C VAL A 73 -9.009 0.888 0.890 1.00 1.00 C ATOM 1083 O VAL A 73 -10.007 1.445 0.432 1.00 1.00 O ATOM 1084 CB VAL A 73 -7.943 1.642 3.019 1.00 1.00 C ATOM 1085 CG1 VAL A 73 -8.400 3.055 2.647 1.00 1.00 C ATOM 1086 CG2 VAL A 73 -7.968 1.482 4.543 1.00 1.00 C ATOM 0 H VAL A 73 -7.393 -0.779 2.886 1.00 1.00 H new ATOM 0 HA VAL A 73 -9.867 0.693 2.840 1.00 1.00 H new ATOM 0 HB VAL A 73 -6.929 1.483 2.651 1.00 1.00 H new ATOM 0 HG11 VAL A 73 -7.730 3.785 3.101 1.00 1.00 H new ATOM 0 HG12 VAL A 73 -8.381 3.170 1.563 1.00 1.00 H new ATOM 0 HG13 VAL A 73 -9.414 3.217 3.011 1.00 1.00 H new ATOM 0 HG21 VAL A 73 -7.301 2.215 4.997 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -8.983 1.640 4.909 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -7.639 0.478 4.809 1.00 1.00 H new ATOM 1096 N ILE A 74 -7.975 0.519 0.137 1.00 1.00 N ATOM 1097 CA ILE A 74 -7.979 0.757 -1.299 1.00 1.00 C ATOM 1098 C ILE A 74 -9.107 -0.009 -1.977 1.00 1.00 C ATOM 1099 O ILE A 74 -9.932 0.578 -2.665 1.00 1.00 O ATOM 1100 CB ILE A 74 -6.637 0.316 -1.901 1.00 1.00 C ATOM 1101 CG1 ILE A 74 -5.526 1.252 -1.417 1.00 1.00 C ATOM 1102 CG2 ILE A 74 -6.714 0.365 -3.431 1.00 1.00 C ATOM 1103 CD1 ILE A 74 -4.161 0.651 -1.768 1.00 1.00 C ATOM 0 H ILE A 74 -7.136 0.061 0.493 1.00 1.00 H new ATOM 0 HA ILE A 74 -8.131 1.823 -1.466 1.00 1.00 H new ATOM 0 HB ILE A 74 -6.419 -0.704 -1.583 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -5.634 2.232 -1.882 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -5.604 1.400 -0.340 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -5.759 0.051 -3.854 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -7.502 -0.304 -3.777 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -6.936 1.383 -3.752 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -3.370 1.318 -1.423 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -4.055 -0.319 -1.283 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -4.085 0.526 -2.848 1.00 1.00 H new ATOM 1115 N GLU A 75 -9.136 -1.319 -1.774 1.00 1.00 N ATOM 1116 CA GLU A 75 -10.159 -2.154 -2.390 1.00 1.00 C ATOM 1117 C GLU A 75 -11.541 -1.554 -2.173 1.00 1.00 C ATOM 1118 O GLU A 75 -12.406 -1.636 -3.043 1.00 1.00 O ATOM 1119 CB GLU A 75 -10.106 -3.564 -1.794 1.00 1.00 C ATOM 1120 CG GLU A 75 -10.529 -3.516 -0.321 1.00 1.00 C ATOM 1121 CD GLU A 75 -12.051 -3.524 -0.206 1.00 1.00 C ATOM 1122 OE1 GLU A 75 -12.681 -4.209 -0.992 1.00 1.00 O ATOM 1123 OE2 GLU A 75 -12.565 -2.834 0.659 1.00 1.00 O ATOM 0 H GLU A 75 -8.468 -1.824 -1.192 1.00 1.00 H new ATOM 0 HA GLU A 75 -9.967 -2.206 -3.462 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -10.765 -4.230 -2.351 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -9.098 -3.969 -1.880 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -10.113 -4.371 0.212 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -10.127 -2.620 0.151 1.00 1.00 H new ATOM 1130 N GLY A 76 -11.746 -0.958 -1.004 1.00 1.00 N ATOM 1131 CA GLY A 76 -13.032 -0.354 -0.683 1.00 1.00 C ATOM 1132 C GLY A 76 -13.373 0.752 -1.674 1.00 1.00 C ATOM 1133 O GLY A 76 -14.520 0.885 -2.098 1.00 1.00 O ATOM 0 H GLY A 76 -11.044 -0.881 -0.268 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -13.811 -1.116 -0.700 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -13.006 0.053 0.328 1.00 1.00 H new ATOM 1137 N LEU A 77 -12.371 1.548 -2.032 1.00 1.00 N ATOM 1138 CA LEU A 77 -12.579 2.644 -2.973 1.00 1.00 C ATOM 1139 C LEU A 77 -12.944 2.109 -4.351 1.00 1.00 C ATOM 1140 O LEU A 77 -13.834 2.642 -5.016 1.00 1.00 O ATOM 1141 CB LEU A 77 -11.309 3.488 -3.070 1.00 1.00 C ATOM 1142 CG LEU A 77 -11.057 4.189 -1.729 1.00 1.00 C ATOM 1143 CD1 LEU A 77 -9.629 4.737 -1.701 1.00 1.00 C ATOM 1144 CD2 LEU A 77 -12.052 5.347 -1.540 1.00 1.00 C ATOM 0 H LEU A 77 -11.415 1.457 -1.689 1.00 1.00 H new ATOM 0 HA LEU A 77 -13.402 3.260 -2.610 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -10.459 2.857 -3.328 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -11.410 4.227 -3.865 1.00 1.00 H new ATOM 0 HG LEU A 77 -11.192 3.469 -0.922 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -9.449 5.235 -0.748 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -8.922 3.916 -1.820 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -9.497 5.451 -2.514 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -11.863 5.837 -0.585 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -11.929 6.068 -2.348 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -13.070 4.958 -1.553 1.00 1.00 H new ATOM 1156 N LEU A 78 -12.251 1.060 -4.778 1.00 1.00 N ATOM 1157 CA LEU A 78 -12.511 0.465 -6.082 1.00 1.00 C ATOM 1158 C LEU A 78 -13.945 -0.044 -6.158 1.00 1.00 C ATOM 1159 O LEU A 78 -14.617 0.131 -7.171 1.00 1.00 O ATOM 1160 CB LEU A 78 -11.535 -0.696 -6.325 1.00 1.00 C ATOM 1161 CG LEU A 78 -10.206 -0.149 -6.847 1.00 1.00 C ATOM 1162 CD1 LEU A 78 -9.668 0.905 -5.887 1.00 1.00 C ATOM 1163 CD2 LEU A 78 -9.199 -1.294 -6.972 1.00 1.00 C ATOM 0 H LEU A 78 -11.510 0.607 -4.244 1.00 1.00 H new ATOM 0 HA LEU A 78 -12.369 1.226 -6.849 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -11.374 -1.249 -5.399 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -11.959 -1.396 -7.045 1.00 1.00 H new ATOM 0 HG LEU A 78 -10.362 0.307 -7.825 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -8.721 1.291 -6.264 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -10.385 1.721 -5.804 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -9.512 0.457 -4.905 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -8.251 -0.906 -7.344 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -9.045 -1.752 -5.995 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -9.582 -2.042 -7.666 1.00 1.00 H new