USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 709 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 24 THR OG1 : rot 180:sc= -0.0053 USER MOD Set 1.2: A 98 THR OG1 : rot 180:sc= -0.0207 USER MOD Single : A 18 THR OG1 : rot -24:sc= 0.272 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -1.39 X(o=-1.4,f=-0.95) USER MOD Single : A 27 LYS NZ :NH3+ 151:sc= -3.35! (180deg=-5.94!) USER MOD Single : A 30 GLN : amide:sc= -0.769 K(o=-0.77,f=-6!) USER MOD Single : A 31 ASN : amide:sc= -2.65 X(o=-2.7,f=-3.2) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= -1.64 K(o=-1.6,f=-0.36) USER MOD Single : A 56 THR OG1 : rot -127:sc= 0.639 USER MOD Single : A 63 THR OG1 : rot -160:sc= -0.0626 USER MOD Single : A 71 THR OG1 : rot -51:sc= -0.206 USER MOD Single : A 74 ASN : amide:sc= -4.15 K(o=-4.2,f=-6.7!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -108:sc= -0.23 (180deg=-0.627) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl -164:sc= -1.24 (180deg=-1.92) USER MOD Single : A 91 GLN : amide:sc= -3.41! K(o=-3.4!,f=-0.17) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HE2:sc= -2.22 K(o=-2.2,f=-2.9!) USER MOD Single : A 101 TYR OH : rot 98:sc= -0.142 USER MOD Single : A 102 ASN : amide:sc= -0.47 K(o=-0.47,f=-5.3!) USER MOD Single : A 103 LYS NZ :NH3+ -165:sc= -0.1 (180deg=-0.521) USER MOD Single : B 122 SER OG : rot 140:sc= -0.102 USER MOD Single : B 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 18 0.576 -9.229 -8.704 1.00 0.00 N ATOM 2 CA THR A 18 0.880 -8.007 -7.968 1.00 0.00 C ATOM 3 C THR A 18 0.501 -6.774 -8.781 1.00 0.00 C ATOM 4 O THR A 18 0.616 -6.766 -10.007 1.00 0.00 O ATOM 5 CB THR A 18 2.366 -7.959 -7.611 1.00 0.00 C ATOM 6 OG1 THR A 18 3.163 -8.315 -8.727 1.00 0.00 O ATOM 7 CG2 THR A 18 2.737 -8.882 -6.470 1.00 0.00 C ATOM 0 HA THR A 18 0.292 -8.010 -7.050 1.00 0.00 H new ATOM 0 HB THR A 18 2.555 -6.931 -7.303 1.00 0.00 H new ATOM 0 HG1 THR A 18 2.634 -8.861 -9.345 1.00 0.00 H new ATOM 0 HG21 THR A 18 3.805 -8.799 -6.268 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.176 -8.602 -5.578 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.498 -9.910 -6.741 1.00 0.00 H new ATOM 15 N VAL A 19 0.050 -5.732 -8.090 1.00 0.00 N ATOM 16 CA VAL A 19 -0.346 -4.492 -8.747 1.00 0.00 C ATOM 17 C VAL A 19 0.570 -3.339 -8.338 1.00 0.00 C ATOM 18 O VAL A 19 0.393 -2.746 -7.275 1.00 0.00 O ATOM 19 CB VAL A 19 -1.801 -4.118 -8.407 1.00 0.00 C ATOM 20 CG1 VAL A 19 -2.260 -2.936 -9.246 1.00 0.00 C ATOM 21 CG2 VAL A 19 -2.720 -5.313 -8.611 1.00 0.00 C ATOM 0 H VAL A 19 -0.050 -5.722 -7.075 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.262 -4.660 -9.821 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.846 -3.827 -7.357 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.290 -2.687 -8.991 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.619 -2.077 -9.046 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.200 -3.195 -10.303 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.744 -5.031 -8.366 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.672 -5.636 -9.651 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.404 -6.130 -7.962 1.00 0.00 H new ATOM 31 N PRO A 20 1.566 -3.006 -9.179 1.00 0.00 N ATOM 32 CA PRO A 20 2.506 -1.917 -8.892 1.00 0.00 C ATOM 33 C PRO A 20 1.830 -0.550 -8.897 1.00 0.00 C ATOM 34 O PRO A 20 1.279 -0.122 -9.911 1.00 0.00 O ATOM 35 CB PRO A 20 3.529 -2.014 -10.027 1.00 0.00 C ATOM 36 CG PRO A 20 2.810 -2.705 -11.132 1.00 0.00 C ATOM 37 CD PRO A 20 1.854 -3.658 -10.470 1.00 0.00 C ATOM 0 HA PRO A 20 2.945 -2.013 -7.899 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.872 -1.026 -10.335 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.411 -2.575 -9.717 1.00 0.00 H new ATOM 0 HG2 PRO A 20 2.277 -1.990 -11.759 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.507 -3.238 -11.779 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.949 -3.796 -11.062 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.299 -4.644 -10.333 1.00 0.00 H new ATOM 45 N GLY A 21 1.880 0.132 -7.757 1.00 0.00 N ATOM 46 CA GLY A 21 1.270 1.444 -7.650 1.00 0.00 C ATOM 47 C GLY A 21 2.039 2.366 -6.726 1.00 0.00 C ATOM 48 O GLY A 21 2.273 2.035 -5.563 1.00 0.00 O ATOM 0 H GLY A 21 2.332 -0.201 -6.906 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.209 1.895 -8.640 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.248 1.338 -7.285 1.00 0.00 H new ATOM 52 N LYS A 22 2.435 3.524 -7.242 1.00 0.00 N ATOM 53 CA LYS A 22 3.184 4.496 -6.455 1.00 0.00 C ATOM 54 C LYS A 22 2.291 5.649 -6.013 1.00 0.00 C ATOM 55 O LYS A 22 1.725 6.363 -6.844 1.00 0.00 O ATOM 56 CB LYS A 22 4.369 5.033 -7.260 1.00 0.00 C ATOM 57 CG LYS A 22 3.961 5.799 -8.507 1.00 0.00 C ATOM 58 CD LYS A 22 5.149 6.051 -9.420 1.00 0.00 C ATOM 59 CE LYS A 22 4.717 6.676 -10.736 1.00 0.00 C ATOM 60 NZ LYS A 22 4.768 8.163 -10.687 1.00 0.00 N ATOM 0 H LYS A 22 2.250 3.813 -8.203 1.00 0.00 H new ATOM 0 HA LYS A 22 3.557 3.990 -5.565 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.965 5.685 -6.622 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.009 4.199 -7.549 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.199 5.237 -9.047 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.513 6.750 -8.220 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.860 6.708 -8.920 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.666 5.111 -9.615 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.362 6.317 -11.538 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.703 6.355 -10.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.466 8.551 -11.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.133 8.508 -9.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.741 8.471 -10.484 1.00 0.00 H new ATOM 74 N VAL A 23 2.167 5.829 -4.701 1.00 0.00 N ATOM 75 CA VAL A 23 1.344 6.897 -4.150 1.00 0.00 C ATOM 76 C VAL A 23 2.205 7.949 -3.456 1.00 0.00 C ATOM 77 O VAL A 23 3.171 7.619 -2.768 1.00 0.00 O ATOM 78 CB VAL A 23 0.306 6.347 -3.149 1.00 0.00 C ATOM 79 CG1 VAL A 23 0.997 5.692 -1.963 1.00 0.00 C ATOM 80 CG2 VAL A 23 -0.633 7.452 -2.688 1.00 0.00 C ATOM 0 H VAL A 23 2.627 5.248 -4.001 1.00 0.00 H new ATOM 0 HA VAL A 23 0.818 7.358 -4.986 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.289 5.587 -3.655 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.247 5.311 -1.270 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.619 4.868 -2.314 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.621 6.427 -1.454 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.357 7.044 -1.983 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.057 8.239 -2.202 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.158 7.866 -3.549 1.00 0.00 H new ATOM 90 N THR A 24 1.848 9.216 -3.642 1.00 0.00 N ATOM 91 CA THR A 24 2.588 10.315 -3.036 1.00 0.00 C ATOM 92 C THR A 24 1.860 10.853 -1.808 1.00 0.00 C ATOM 93 O THR A 24 0.986 11.714 -1.919 1.00 0.00 O ATOM 94 CB THR A 24 2.796 11.439 -4.052 1.00 0.00 C ATOM 95 OG1 THR A 24 3.213 10.914 -5.301 1.00 0.00 O ATOM 96 CG2 THR A 24 3.826 12.458 -3.616 1.00 0.00 C ATOM 0 H THR A 24 1.050 9.506 -4.208 1.00 0.00 H new ATOM 0 HA THR A 24 3.559 9.934 -2.721 1.00 0.00 H new ATOM 0 HB THR A 24 1.830 11.936 -4.134 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.339 11.648 -5.938 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.924 13.227 -4.382 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.510 12.917 -2.679 1.00 0.00 H new ATOM 0 HG23 THR A 24 4.787 11.965 -3.472 1.00 0.00 H new ATOM 104 N LEU A 25 2.228 10.343 -0.637 1.00 0.00 N ATOM 105 CA LEU A 25 1.611 10.775 0.612 1.00 0.00 C ATOM 106 C LEU A 25 2.383 11.941 1.221 1.00 0.00 C ATOM 107 O LEU A 25 3.540 12.179 0.876 1.00 0.00 O ATOM 108 CB LEU A 25 1.552 9.613 1.606 1.00 0.00 C ATOM 109 CG LEU A 25 0.401 8.629 1.386 1.00 0.00 C ATOM 110 CD1 LEU A 25 -0.929 9.365 1.329 1.00 0.00 C ATOM 111 CD2 LEU A 25 0.624 7.827 0.113 1.00 0.00 C ATOM 0 H LEU A 25 2.950 9.631 -0.527 1.00 0.00 H new ATOM 0 HA LEU A 25 0.596 11.107 0.393 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.493 9.065 1.557 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.473 10.021 2.614 1.00 0.00 H new ATOM 0 HG LEU A 25 0.373 7.938 2.228 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.735 8.648 1.172 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.092 9.895 2.268 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.914 10.080 0.507 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.204 7.132 -0.029 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.679 8.505 -0.739 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.557 7.269 0.193 1.00 0.00 H new ATOM 123 N GLN A 26 1.737 12.662 2.129 1.00 0.00 N ATOM 124 CA GLN A 26 2.366 13.803 2.786 1.00 0.00 C ATOM 125 C GLN A 26 2.737 13.464 4.225 1.00 0.00 C ATOM 126 O GLN A 26 1.918 12.941 4.982 1.00 0.00 O ATOM 127 CB GLN A 26 1.433 15.013 2.758 1.00 0.00 C ATOM 128 CG GLN A 26 1.112 15.503 1.355 1.00 0.00 C ATOM 129 CD GLN A 26 0.103 14.621 0.647 1.00 0.00 C ATOM 130 OE1 GLN A 26 -1.071 14.581 1.016 1.00 0.00 O ATOM 131 NE2 GLN A 26 0.555 13.907 -0.377 1.00 0.00 N ATOM 0 H GLN A 26 0.779 12.478 2.428 1.00 0.00 H new ATOM 0 HA GLN A 26 3.279 14.046 2.242 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.503 14.756 3.265 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.890 15.826 3.322 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.725 16.521 1.409 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.030 15.542 0.769 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.536 13.970 -0.649 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.079 13.295 -0.891 1.00 0.00 H new ATOM 140 N LYS A 27 3.977 13.763 4.598 1.00 0.00 N ATOM 141 CA LYS A 27 4.458 13.490 5.948 1.00 0.00 C ATOM 142 C LYS A 27 3.706 14.331 6.974 1.00 0.00 C ATOM 143 O LYS A 27 3.563 15.543 6.815 1.00 0.00 O ATOM 144 CB LYS A 27 5.959 13.767 6.043 1.00 0.00 C ATOM 145 CG LYS A 27 6.796 12.904 5.111 1.00 0.00 C ATOM 146 CD LYS A 27 7.873 12.135 5.866 1.00 0.00 C ATOM 147 CE LYS A 27 7.840 10.652 5.536 1.00 0.00 C ATOM 148 NZ LYS A 27 7.278 9.847 6.655 1.00 0.00 N ATOM 0 H LYS A 27 4.668 14.195 3.984 1.00 0.00 H new ATOM 0 HA LYS A 27 4.276 12.438 6.166 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.142 14.817 5.815 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.286 13.602 7.070 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.148 12.202 4.586 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.263 13.534 4.354 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.853 12.542 5.617 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.734 12.272 6.938 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.242 10.493 4.638 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.850 10.307 5.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.821 8.994 6.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.044 9.570 7.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.576 10.414 7.172 1.00 0.00 H new ATOM 162 N ASP A 28 3.228 13.676 8.028 1.00 0.00 N ATOM 163 CA ASP A 28 2.489 14.361 9.082 1.00 0.00 C ATOM 164 C ASP A 28 3.384 15.350 9.823 1.00 0.00 C ATOM 165 O ASP A 28 4.506 15.626 9.398 1.00 0.00 O ATOM 166 CB ASP A 28 1.909 13.344 10.068 1.00 0.00 C ATOM 167 CG ASP A 28 0.512 13.715 10.526 1.00 0.00 C ATOM 168 OD1 ASP A 28 0.142 14.901 10.401 1.00 0.00 O ATOM 169 OD2 ASP A 28 -0.212 12.819 11.009 1.00 0.00 O ATOM 0 H ASP A 28 3.339 12.673 8.174 1.00 0.00 H new ATOM 0 HA ASP A 28 1.674 14.916 8.618 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.885 12.360 9.599 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.565 13.268 10.935 1.00 0.00 H new ATOM 174 N ALA A 29 2.879 15.881 10.932 1.00 0.00 N ATOM 175 CA ALA A 29 3.630 16.839 11.732 1.00 0.00 C ATOM 176 C ALA A 29 4.843 16.183 12.384 1.00 0.00 C ATOM 177 O ALA A 29 5.851 16.839 12.643 1.00 0.00 O ATOM 178 CB ALA A 29 2.731 17.457 12.794 1.00 0.00 C ATOM 0 H ALA A 29 1.952 15.663 11.297 1.00 0.00 H new ATOM 0 HA ALA A 29 3.989 17.625 11.068 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.304 18.171 13.385 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.899 17.970 12.312 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.346 16.673 13.446 1.00 0.00 H new ATOM 184 N GLN A 30 4.738 14.884 12.647 1.00 0.00 N ATOM 185 CA GLN A 30 5.827 14.140 13.271 1.00 0.00 C ATOM 186 C GLN A 30 6.648 13.394 12.224 1.00 0.00 C ATOM 187 O GLN A 30 7.174 12.314 12.491 1.00 0.00 O ATOM 188 CB GLN A 30 5.276 13.150 14.300 1.00 0.00 C ATOM 189 CG GLN A 30 4.140 13.711 15.139 1.00 0.00 C ATOM 190 CD GLN A 30 4.568 14.897 15.980 1.00 0.00 C ATOM 191 OE1 GLN A 30 5.188 15.836 15.482 1.00 0.00 O ATOM 192 NE2 GLN A 30 4.237 14.860 17.266 1.00 0.00 N ATOM 0 H GLN A 30 3.911 14.325 12.438 1.00 0.00 H new ATOM 0 HA GLN A 30 6.476 14.855 13.776 1.00 0.00 H new ATOM 0 HB2 GLN A 30 4.926 12.257 13.781 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.085 12.839 14.961 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.323 14.011 14.483 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.754 12.928 15.792 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.722 14.061 17.637 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.497 15.630 17.882 1.00 0.00 H new ATOM 201 N ASN A 31 6.750 13.978 11.030 1.00 0.00 N ATOM 202 CA ASN A 31 7.503 13.374 9.932 1.00 0.00 C ATOM 203 C ASN A 31 7.212 11.878 9.814 1.00 0.00 C ATOM 204 O ASN A 31 8.072 11.098 9.408 1.00 0.00 O ATOM 205 CB ASN A 31 9.004 13.604 10.125 1.00 0.00 C ATOM 206 CG ASN A 31 9.552 12.899 11.351 1.00 0.00 C ATOM 207 OD1 ASN A 31 9.606 13.474 12.439 1.00 0.00 O ATOM 208 ND2 ASN A 31 9.961 11.647 11.182 1.00 0.00 N ATOM 0 H ASN A 31 6.318 14.873 10.799 1.00 0.00 H new ATOM 0 HA ASN A 31 7.185 13.854 9.007 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.537 13.254 9.241 1.00 0.00 H new ATOM 0 HB3 ASN A 31 9.195 14.674 10.210 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.338 11.123 11.971 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.898 11.210 10.263 1.00 0.00 H new ATOM 215 N LEU A 32 5.994 11.490 10.177 1.00 0.00 N ATOM 216 CA LEU A 32 5.587 10.091 10.116 1.00 0.00 C ATOM 217 C LEU A 32 4.253 9.945 9.389 1.00 0.00 C ATOM 218 O LEU A 32 3.202 10.295 9.925 1.00 0.00 O ATOM 219 CB LEU A 32 5.478 9.509 11.525 1.00 0.00 C ATOM 220 CG LEU A 32 6.793 9.459 12.309 1.00 0.00 C ATOM 221 CD1 LEU A 32 6.562 9.835 13.766 1.00 0.00 C ATOM 222 CD2 LEU A 32 7.420 8.077 12.206 1.00 0.00 C ATOM 0 H LEU A 32 5.271 12.125 10.517 1.00 0.00 H new ATOM 0 HA LEU A 32 6.346 9.541 9.561 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.757 10.100 12.091 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.076 8.498 11.454 1.00 0.00 H new ATOM 0 HG LEU A 32 7.482 10.183 11.874 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.508 9.794 14.307 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.156 10.845 13.821 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.857 9.136 14.215 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.354 8.058 12.768 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.735 7.335 12.616 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.622 7.846 11.160 1.00 0.00 H new ATOM 234 N ILE A 33 4.305 9.426 8.166 1.00 0.00 N ATOM 235 CA ILE A 33 3.100 9.235 7.368 1.00 0.00 C ATOM 236 C ILE A 33 2.097 8.337 8.086 1.00 0.00 C ATOM 237 O ILE A 33 0.893 8.419 7.844 1.00 0.00 O ATOM 238 CB ILE A 33 3.428 8.623 5.994 1.00 0.00 C ATOM 239 CG1 ILE A 33 4.303 7.379 6.161 1.00 0.00 C ATOM 240 CG2 ILE A 33 4.120 9.647 5.108 1.00 0.00 C ATOM 241 CD1 ILE A 33 4.426 6.552 4.899 1.00 0.00 C ATOM 0 H ILE A 33 5.167 9.131 7.707 1.00 0.00 H new ATOM 0 HA ILE A 33 2.659 10.221 7.223 1.00 0.00 H new ATOM 0 HB ILE A 33 2.495 8.327 5.514 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.298 7.685 6.483 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.888 6.757 6.954 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.345 9.198 4.140 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.465 10.507 4.966 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.047 9.971 5.582 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.060 5.687 5.091 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.437 6.215 4.587 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.869 7.158 4.109 1.00 0.00 H new ATOM 253 N GLY A 34 2.601 7.481 8.971 1.00 0.00 N ATOM 254 CA GLY A 34 1.733 6.582 9.710 1.00 0.00 C ATOM 255 C GLY A 34 1.501 5.270 8.987 1.00 0.00 C ATOM 256 O GLY A 34 0.419 5.030 8.455 1.00 0.00 O ATOM 0 H GLY A 34 3.594 7.394 9.189 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.172 6.381 10.687 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.774 7.071 9.885 1.00 0.00 H new ATOM 260 N ILE A 35 2.522 4.419 8.969 1.00 0.00 N ATOM 261 CA ILE A 35 2.424 3.125 8.308 1.00 0.00 C ATOM 262 C ILE A 35 3.358 2.106 8.954 1.00 0.00 C ATOM 263 O ILE A 35 4.449 2.450 9.406 1.00 0.00 O ATOM 264 CB ILE A 35 2.755 3.228 6.806 1.00 0.00 C ATOM 265 CG1 ILE A 35 4.183 3.741 6.605 1.00 0.00 C ATOM 266 CG2 ILE A 35 1.756 4.142 6.109 1.00 0.00 C ATOM 267 CD1 ILE A 35 4.773 3.370 5.261 1.00 0.00 C ATOM 0 H ILE A 35 3.426 4.603 9.405 1.00 0.00 H new ATOM 0 HA ILE A 35 1.392 2.793 8.420 1.00 0.00 H new ATOM 0 HB ILE A 35 2.684 2.234 6.365 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.189 4.826 6.709 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.819 3.342 7.395 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.000 4.207 5.049 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.750 3.738 6.226 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.801 5.136 6.553 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.786 3.765 5.187 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.799 2.285 5.162 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.159 3.792 4.465 1.00 0.00 H new ATOM 279 N SER A 36 2.922 0.852 8.991 1.00 0.00 N ATOM 280 CA SER A 36 3.719 -0.217 9.581 1.00 0.00 C ATOM 281 C SER A 36 4.250 -1.155 8.503 1.00 0.00 C ATOM 282 O SER A 36 3.629 -1.323 7.453 1.00 0.00 O ATOM 283 CB SER A 36 2.888 -1.003 10.597 1.00 0.00 C ATOM 284 OG SER A 36 2.950 -0.406 11.880 1.00 0.00 O ATOM 0 H SER A 36 2.021 0.551 8.619 1.00 0.00 H new ATOM 0 HA SER A 36 4.568 0.236 10.093 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.851 -1.050 10.264 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.252 -2.029 10.652 1.00 0.00 H new ATOM 0 HG SER A 36 2.409 -0.927 12.510 1.00 0.00 H new ATOM 290 N ILE A 37 5.402 -1.763 8.767 1.00 0.00 N ATOM 291 CA ILE A 37 6.017 -2.683 7.817 1.00 0.00 C ATOM 292 C ILE A 37 6.819 -3.760 8.537 1.00 0.00 C ATOM 293 O ILE A 37 7.365 -3.524 9.614 1.00 0.00 O ATOM 294 CB ILE A 37 6.941 -1.942 6.833 1.00 0.00 C ATOM 295 CG1 ILE A 37 7.858 -0.976 7.586 1.00 0.00 C ATOM 296 CG2 ILE A 37 6.118 -1.197 5.792 1.00 0.00 C ATOM 297 CD1 ILE A 37 9.253 -0.895 7.011 1.00 0.00 C ATOM 0 H ILE A 37 5.929 -1.635 9.631 1.00 0.00 H new ATOM 0 HA ILE A 37 5.205 -3.150 7.259 1.00 0.00 H new ATOM 0 HB ILE A 37 7.562 -2.676 6.320 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.411 0.018 7.576 1.00 0.00 H new ATOM 0 HG13 ILE A 37 7.921 -1.286 8.629 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.785 -0.678 5.104 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.505 -1.907 5.237 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.474 -0.472 6.289 1.00 0.00 H new ATOM 0 HD11 ILE A 37 9.847 -0.192 7.595 1.00 0.00 H new ATOM 0 HD12 ILE A 37 9.719 -1.880 7.046 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.201 -0.555 5.977 1.00 0.00 H new ATOM 309 N GLY A 38 6.886 -4.944 7.937 1.00 0.00 N ATOM 310 CA GLY A 38 7.624 -6.039 8.535 1.00 0.00 C ATOM 311 C GLY A 38 8.464 -6.794 7.525 1.00 0.00 C ATOM 312 O GLY A 38 7.932 -7.498 6.667 1.00 0.00 O ATOM 0 H GLY A 38 6.441 -5.164 7.046 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.270 -5.650 9.322 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.925 -6.728 9.009 1.00 0.00 H new ATOM 316 N GLY A 39 9.781 -6.649 7.628 1.00 0.00 N ATOM 317 CA GLY A 39 10.677 -7.328 6.709 1.00 0.00 C ATOM 318 C GLY A 39 12.080 -7.465 7.263 1.00 0.00 C ATOM 319 O GLY A 39 12.426 -6.834 8.261 1.00 0.00 O ATOM 0 H GLY A 39 10.244 -6.074 8.331 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.280 -8.318 6.484 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.713 -6.778 5.769 1.00 0.00 H new ATOM 323 N GLY A 40 12.893 -8.291 6.611 1.00 0.00 N ATOM 324 CA GLY A 40 14.259 -8.495 7.057 1.00 0.00 C ATOM 325 C GLY A 40 15.266 -8.324 5.938 1.00 0.00 C ATOM 326 O GLY A 40 15.276 -7.301 5.254 1.00 0.00 O ATOM 0 H GLY A 40 12.630 -8.823 5.781 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.486 -7.790 7.857 1.00 0.00 H new ATOM 0 HA3 GLY A 40 14.355 -9.496 7.478 1.00 0.00 H new ATOM 330 N ALA A 41 16.115 -9.329 5.750 1.00 0.00 N ATOM 331 CA ALA A 41 17.130 -9.287 4.706 1.00 0.00 C ATOM 332 C ALA A 41 17.748 -10.663 4.483 1.00 0.00 C ATOM 333 O ALA A 41 17.697 -11.525 5.360 1.00 0.00 O ATOM 334 CB ALA A 41 18.208 -8.273 5.060 1.00 0.00 C ATOM 0 H ALA A 41 16.119 -10.183 6.308 1.00 0.00 H new ATOM 0 HA ALA A 41 16.648 -8.981 3.778 1.00 0.00 H new ATOM 0 HB1 ALA A 41 18.960 -8.252 4.272 1.00 0.00 H new ATOM 0 HB2 ALA A 41 17.759 -7.285 5.160 1.00 0.00 H new ATOM 0 HB3 ALA A 41 18.678 -8.555 6.002 1.00 0.00 H new ATOM 340 N GLN A 42 18.331 -10.861 3.303 1.00 0.00 N ATOM 341 CA GLN A 42 18.963 -12.131 2.958 1.00 0.00 C ATOM 342 C GLN A 42 17.925 -13.243 2.829 1.00 0.00 C ATOM 343 O GLN A 42 17.655 -13.728 1.730 1.00 0.00 O ATOM 344 CB GLN A 42 20.012 -12.513 4.007 1.00 0.00 C ATOM 345 CG GLN A 42 21.040 -11.423 4.262 1.00 0.00 C ATOM 346 CD GLN A 42 22.431 -11.979 4.502 1.00 0.00 C ATOM 347 OE1 GLN A 42 23.336 -11.789 3.690 1.00 0.00 O ATOM 348 NE2 GLN A 42 22.606 -12.670 5.621 1.00 0.00 N ATOM 0 H GLN A 42 18.379 -10.155 2.568 1.00 0.00 H new ATOM 0 HA GLN A 42 19.456 -12.007 1.994 1.00 0.00 H new ATOM 0 HB2 GLN A 42 19.508 -12.752 4.943 1.00 0.00 H new ATOM 0 HB3 GLN A 42 20.526 -13.418 3.682 1.00 0.00 H new ATOM 0 HG2 GLN A 42 21.066 -10.746 3.408 1.00 0.00 H new ATOM 0 HG3 GLN A 42 20.734 -10.835 5.127 1.00 0.00 H new ATOM 0 HE21 GLN A 42 21.827 -12.803 6.266 1.00 0.00 H new ATOM 0 HE22 GLN A 42 23.520 -13.069 5.837 1.00 0.00 H new ATOM 357 N TYR A 43 17.347 -13.642 3.957 1.00 0.00 N ATOM 358 CA TYR A 43 16.338 -14.698 3.966 1.00 0.00 C ATOM 359 C TYR A 43 14.943 -14.119 3.750 1.00 0.00 C ATOM 360 O TYR A 43 14.122 -14.700 3.041 1.00 0.00 O ATOM 361 CB TYR A 43 16.390 -15.468 5.288 1.00 0.00 C ATOM 362 CG TYR A 43 17.070 -16.813 5.179 1.00 0.00 C ATOM 363 CD1 TYR A 43 18.381 -16.915 4.726 1.00 0.00 C ATOM 364 CD2 TYR A 43 16.403 -17.980 5.527 1.00 0.00 C ATOM 365 CE1 TYR A 43 19.007 -18.143 4.623 1.00 0.00 C ATOM 366 CE2 TYR A 43 17.023 -19.212 5.429 1.00 0.00 C ATOM 367 CZ TYR A 43 18.324 -19.288 4.977 1.00 0.00 C ATOM 368 OH TYR A 43 18.943 -20.513 4.878 1.00 0.00 O ATOM 0 H TYR A 43 17.558 -13.252 4.875 1.00 0.00 H new ATOM 0 HA TYR A 43 16.555 -15.384 3.147 1.00 0.00 H new ATOM 0 HB2 TYR A 43 16.914 -14.865 6.030 1.00 0.00 H new ATOM 0 HB3 TYR A 43 15.374 -15.613 5.655 1.00 0.00 H new ATOM 0 HD1 TYR A 43 18.919 -16.020 4.450 1.00 0.00 H new ATOM 0 HD2 TYR A 43 15.384 -17.925 5.880 1.00 0.00 H new ATOM 0 HE1 TYR A 43 20.025 -18.206 4.267 1.00 0.00 H new ATOM 0 HE2 TYR A 43 16.491 -20.111 5.705 1.00 0.00 H new ATOM 0 HH TYR A 43 18.325 -21.216 5.167 1.00 0.00 H new ATOM 378 N CYS A 44 14.681 -12.971 4.368 1.00 0.00 N ATOM 379 CA CYS A 44 13.385 -12.314 4.245 1.00 0.00 C ATOM 380 C CYS A 44 13.548 -10.870 3.776 1.00 0.00 C ATOM 381 O CYS A 44 13.310 -9.930 4.534 1.00 0.00 O ATOM 382 CB CYS A 44 12.642 -12.351 5.583 1.00 0.00 C ATOM 383 SG CYS A 44 12.474 -14.007 6.289 1.00 0.00 S ATOM 0 H CYS A 44 15.350 -12.477 4.959 1.00 0.00 H new ATOM 0 HA CYS A 44 12.801 -12.853 3.499 1.00 0.00 H new ATOM 0 HB2 CYS A 44 13.168 -11.716 6.296 1.00 0.00 H new ATOM 0 HB3 CYS A 44 11.649 -11.923 5.447 1.00 0.00 H new ATOM 0 HG CYS A 44 11.835 -13.934 7.419 1.00 0.00 H new ATOM 389 N PRO A 45 13.962 -10.674 2.512 1.00 0.00 N ATOM 390 CA PRO A 45 14.158 -9.338 1.943 1.00 0.00 C ATOM 391 C PRO A 45 12.838 -8.621 1.681 1.00 0.00 C ATOM 392 O PRO A 45 12.762 -7.394 1.743 1.00 0.00 O ATOM 393 CB PRO A 45 14.884 -9.616 0.627 1.00 0.00 C ATOM 394 CG PRO A 45 14.462 -10.993 0.248 1.00 0.00 C ATOM 395 CD PRO A 45 14.271 -11.741 1.539 1.00 0.00 C ATOM 0 HA PRO A 45 14.708 -8.684 2.619 1.00 0.00 H new ATOM 0 HB2 PRO A 45 14.607 -8.892 -0.139 1.00 0.00 H new ATOM 0 HB3 PRO A 45 15.965 -9.553 0.750 1.00 0.00 H new ATOM 0 HG2 PRO A 45 13.538 -10.972 -0.331 1.00 0.00 H new ATOM 0 HG3 PRO A 45 15.217 -11.475 -0.374 1.00 0.00 H new ATOM 0 HD2 PRO A 45 13.460 -12.466 1.467 1.00 0.00 H new ATOM 0 HD3 PRO A 45 15.168 -12.293 1.820 1.00 0.00 H new ATOM 403 N CYS A 46 11.797 -9.396 1.389 1.00 0.00 N ATOM 404 CA CYS A 46 10.479 -8.835 1.117 1.00 0.00 C ATOM 405 C CYS A 46 9.961 -8.056 2.321 1.00 0.00 C ATOM 406 O CYS A 46 10.212 -8.426 3.468 1.00 0.00 O ATOM 407 CB CYS A 46 9.494 -9.946 0.751 1.00 0.00 C ATOM 408 SG CYS A 46 8.305 -9.486 -0.531 1.00 0.00 S ATOM 0 H CYS A 46 11.842 -10.414 1.335 1.00 0.00 H new ATOM 0 HA CYS A 46 10.570 -8.149 0.275 1.00 0.00 H new ATOM 0 HB2 CYS A 46 10.055 -10.818 0.415 1.00 0.00 H new ATOM 0 HB3 CYS A 46 8.949 -10.243 1.647 1.00 0.00 H new ATOM 0 HG CYS A 46 7.517 -10.491 -0.773 1.00 0.00 H new ATOM 414 N LEU A 47 9.234 -6.975 2.053 1.00 0.00 N ATOM 415 CA LEU A 47 8.679 -6.142 3.115 1.00 0.00 C ATOM 416 C LEU A 47 7.154 -6.133 3.056 1.00 0.00 C ATOM 417 O LEU A 47 6.564 -5.698 2.067 1.00 0.00 O ATOM 418 CB LEU A 47 9.218 -4.714 3.005 1.00 0.00 C ATOM 419 CG LEU A 47 10.370 -4.382 3.955 1.00 0.00 C ATOM 420 CD1 LEU A 47 9.880 -4.352 5.394 1.00 0.00 C ATOM 421 CD2 LEU A 47 11.499 -5.388 3.795 1.00 0.00 C ATOM 0 H LEU A 47 9.016 -6.655 1.109 1.00 0.00 H new ATOM 0 HA LEU A 47 8.984 -6.563 4.073 1.00 0.00 H new ATOM 0 HB2 LEU A 47 9.552 -4.546 1.981 1.00 0.00 H new ATOM 0 HB3 LEU A 47 8.400 -4.018 3.192 1.00 0.00 H new ATOM 0 HG LEU A 47 10.753 -3.394 3.702 1.00 0.00 H new ATOM 0 HD11 LEU A 47 10.712 -4.114 6.057 1.00 0.00 H new ATOM 0 HD12 LEU A 47 9.105 -3.593 5.499 1.00 0.00 H new ATOM 0 HD13 LEU A 47 9.472 -5.327 5.660 1.00 0.00 H new ATOM 0 HD21 LEU A 47 12.310 -5.136 4.478 1.00 0.00 H new ATOM 0 HD22 LEU A 47 11.130 -6.388 4.022 1.00 0.00 H new ATOM 0 HD23 LEU A 47 11.867 -5.361 2.769 1.00 0.00 H new ATOM 433 N TYR A 48 6.524 -6.614 4.122 1.00 0.00 N ATOM 434 CA TYR A 48 5.069 -6.659 4.191 1.00 0.00 C ATOM 435 C TYR A 48 4.524 -5.467 4.971 1.00 0.00 C ATOM 436 O TYR A 48 4.920 -5.223 6.110 1.00 0.00 O ATOM 437 CB TYR A 48 4.608 -7.963 4.845 1.00 0.00 C ATOM 438 CG TYR A 48 5.113 -9.203 4.144 1.00 0.00 C ATOM 439 CD1 TYR A 48 6.424 -9.632 4.305 1.00 0.00 C ATOM 440 CD2 TYR A 48 4.276 -9.948 3.321 1.00 0.00 C ATOM 441 CE1 TYR A 48 6.889 -10.764 3.665 1.00 0.00 C ATOM 442 CE2 TYR A 48 4.733 -11.082 2.677 1.00 0.00 C ATOM 443 CZ TYR A 48 6.040 -11.486 2.853 1.00 0.00 C ATOM 444 OH TYR A 48 6.498 -12.615 2.214 1.00 0.00 O ATOM 0 H TYR A 48 6.998 -6.978 4.949 1.00 0.00 H new ATOM 0 HA TYR A 48 4.681 -6.613 3.173 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.945 -7.979 5.881 1.00 0.00 H new ATOM 0 HB3 TYR A 48 3.518 -7.985 4.864 1.00 0.00 H new ATOM 0 HD1 TYR A 48 7.092 -9.071 4.942 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.252 -9.635 3.183 1.00 0.00 H new ATOM 0 HE1 TYR A 48 7.912 -11.082 3.800 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.071 -11.649 2.040 1.00 0.00 H new ATOM 0 HH TYR A 48 5.774 -13.006 1.682 1.00 0.00 H new ATOM 454 N ILE A 49 3.614 -4.726 4.346 1.00 0.00 N ATOM 455 CA ILE A 49 3.014 -3.559 4.982 1.00 0.00 C ATOM 456 C ILE A 49 1.883 -3.962 5.920 1.00 0.00 C ATOM 457 O ILE A 49 0.998 -4.732 5.548 1.00 0.00 O ATOM 458 CB ILE A 49 2.469 -2.567 3.936 1.00 0.00 C ATOM 459 CG1 ILE A 49 3.533 -2.274 2.876 1.00 0.00 C ATOM 460 CG2 ILE A 49 2.015 -1.281 4.608 1.00 0.00 C ATOM 461 CD1 ILE A 49 3.031 -1.410 1.741 1.00 0.00 C ATOM 0 H ILE A 49 3.277 -4.913 3.402 1.00 0.00 H new ATOM 0 HA ILE A 49 3.803 -3.074 5.557 1.00 0.00 H new ATOM 0 HB ILE A 49 1.607 -3.019 3.445 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.381 -1.780 3.350 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.899 -3.217 2.470 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.633 -0.592 3.855 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.227 -1.505 5.327 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.859 -0.823 5.124 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.837 -1.243 1.027 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.202 -1.911 1.241 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.691 -0.452 2.135 1.00 0.00 H new ATOM 473 N VAL A 50 1.919 -3.437 7.141 1.00 0.00 N ATOM 474 CA VAL A 50 0.896 -3.740 8.135 1.00 0.00 C ATOM 475 C VAL A 50 -0.094 -2.587 8.263 1.00 0.00 C ATOM 476 O VAL A 50 0.148 -1.490 7.763 1.00 0.00 O ATOM 477 CB VAL A 50 1.514 -4.032 9.518 1.00 0.00 C ATOM 478 CG1 VAL A 50 0.565 -4.868 10.363 1.00 0.00 C ATOM 479 CG2 VAL A 50 2.860 -4.729 9.375 1.00 0.00 C ATOM 0 H VAL A 50 2.646 -2.799 7.466 1.00 0.00 H new ATOM 0 HA VAL A 50 0.374 -4.633 7.791 1.00 0.00 H new ATOM 0 HB VAL A 50 1.677 -3.080 10.024 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.019 -5.063 11.335 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.371 -4.327 10.502 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.366 -5.814 9.859 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.276 -4.924 10.364 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.727 -5.672 8.845 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.543 -4.091 8.814 1.00 0.00 H new ATOM 489 N GLN A 51 -1.212 -2.844 8.937 1.00 0.00 N ATOM 490 CA GLN A 51 -2.244 -1.829 9.133 1.00 0.00 C ATOM 491 C GLN A 51 -1.645 -0.508 9.611 1.00 0.00 C ATOM 492 O GLN A 51 -0.634 -0.492 10.314 1.00 0.00 O ATOM 493 CB GLN A 51 -3.282 -2.321 10.145 1.00 0.00 C ATOM 494 CG GLN A 51 -2.726 -2.499 11.550 1.00 0.00 C ATOM 495 CD GLN A 51 -3.696 -3.207 12.475 1.00 0.00 C ATOM 496 OE1 GLN A 51 -3.912 -4.414 12.363 1.00 0.00 O ATOM 497 NE2 GLN A 51 -4.289 -2.457 13.397 1.00 0.00 N ATOM 0 H GLN A 51 -1.427 -3.748 9.357 1.00 0.00 H new ATOM 0 HA GLN A 51 -2.726 -1.656 8.171 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.110 -1.612 10.178 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.690 -3.272 9.802 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.797 -3.067 11.500 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.480 -1.522 11.966 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.081 -1.460 13.455 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -4.952 -2.878 14.047 1.00 0.00 H new ATOM 506 N VAL A 52 -2.277 0.596 9.226 1.00 0.00 N ATOM 507 CA VAL A 52 -1.810 1.919 9.618 1.00 0.00 C ATOM 508 C VAL A 52 -2.523 2.397 10.878 1.00 0.00 C ATOM 509 O VAL A 52 -3.315 1.663 11.471 1.00 0.00 O ATOM 510 CB VAL A 52 -2.028 2.953 8.494 1.00 0.00 C ATOM 511 CG1 VAL A 52 -1.266 2.549 7.240 1.00 0.00 C ATOM 512 CG2 VAL A 52 -3.511 3.121 8.191 1.00 0.00 C ATOM 0 H VAL A 52 -3.114 0.600 8.643 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.741 1.832 9.815 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.642 3.913 8.836 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.432 3.290 6.459 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.201 2.491 7.464 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.618 1.576 6.898 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.639 3.855 7.395 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.928 2.165 7.874 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.029 3.463 9.087 1.00 0.00 H new ATOM 522 N PHE A 53 -2.241 3.630 11.283 1.00 0.00 N ATOM 523 CA PHE A 53 -2.859 4.202 12.473 1.00 0.00 C ATOM 524 C PHE A 53 -3.802 5.339 12.099 1.00 0.00 C ATOM 525 O PHE A 53 -3.588 6.037 11.108 1.00 0.00 O ATOM 526 CB PHE A 53 -1.784 4.702 13.438 1.00 0.00 C ATOM 527 CG PHE A 53 -1.110 3.598 14.199 1.00 0.00 C ATOM 528 CD1 PHE A 53 -0.026 2.925 13.656 1.00 0.00 C ATOM 529 CD2 PHE A 53 -1.559 3.229 15.457 1.00 0.00 C ATOM 530 CE1 PHE A 53 0.595 1.906 14.349 1.00 0.00 C ATOM 531 CE2 PHE A 53 -0.942 2.208 16.156 1.00 0.00 C ATOM 532 CZ PHE A 53 0.135 1.547 15.602 1.00 0.00 C ATOM 0 H PHE A 53 -1.589 4.252 10.805 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.441 3.423 12.966 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.033 5.259 12.878 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.235 5.398 14.145 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.337 3.202 12.677 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.400 3.745 15.896 1.00 0.00 H new ATOM 0 HE1 PHE A 53 1.438 1.390 13.914 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.303 1.928 17.135 1.00 0.00 H new ATOM 0 HZ PHE A 53 0.618 0.750 16.147 1.00 0.00 H new ATOM 542 N ASP A 54 -4.851 5.516 12.894 1.00 0.00 N ATOM 543 CA ASP A 54 -5.830 6.568 12.642 1.00 0.00 C ATOM 544 C ASP A 54 -5.197 7.949 12.772 1.00 0.00 C ATOM 545 O ASP A 54 -4.163 8.113 13.417 1.00 0.00 O ATOM 546 CB ASP A 54 -7.006 6.440 13.610 1.00 0.00 C ATOM 547 CG ASP A 54 -8.342 6.676 12.931 1.00 0.00 C ATOM 548 OD1 ASP A 54 -8.899 5.714 12.365 1.00 0.00 O ATOM 549 OD2 ASP A 54 -8.830 7.826 12.966 1.00 0.00 O ATOM 0 H ASP A 54 -5.046 4.946 13.717 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.193 6.452 11.621 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.999 5.446 14.056 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.883 7.155 14.423 1.00 0.00 H new ATOM 554 N ASN A 55 -5.833 8.939 12.155 1.00 0.00 N ATOM 555 CA ASN A 55 -5.347 10.316 12.197 1.00 0.00 C ATOM 556 C ASN A 55 -4.029 10.470 11.440 1.00 0.00 C ATOM 557 O ASN A 55 -3.316 11.456 11.622 1.00 0.00 O ATOM 558 CB ASN A 55 -5.168 10.773 13.646 1.00 0.00 C ATOM 559 CG ASN A 55 -6.395 10.502 14.494 1.00 0.00 C ATOM 560 OD1 ASN A 55 -7.330 11.303 14.527 1.00 0.00 O ATOM 561 ND2 ASN A 55 -6.397 9.370 15.187 1.00 0.00 N ATOM 0 H ASN A 55 -6.690 8.814 11.617 1.00 0.00 H new ATOM 0 HA ASN A 55 -6.094 10.943 11.709 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.309 10.263 14.081 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.947 11.840 13.663 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.195 9.135 15.777 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -5.600 8.735 15.130 1.00 0.00 H new ATOM 568 N THR A 56 -3.710 9.500 10.587 1.00 0.00 N ATOM 569 CA THR A 56 -2.478 9.552 9.807 1.00 0.00 C ATOM 570 C THR A 56 -2.778 9.911 8.355 1.00 0.00 C ATOM 571 O THR A 56 -3.847 9.599 7.840 1.00 0.00 O ATOM 572 CB THR A 56 -1.744 8.213 9.874 1.00 0.00 C ATOM 573 OG1 THR A 56 -2.494 7.198 9.228 1.00 0.00 O ATOM 574 CG2 THR A 56 -1.467 7.751 11.288 1.00 0.00 C ATOM 0 H THR A 56 -4.284 8.674 10.419 1.00 0.00 H new ATOM 0 HA THR A 56 -1.838 10.324 10.233 1.00 0.00 H new ATOM 0 HB THR A 56 -0.791 8.380 9.372 1.00 0.00 H new ATOM 0 HG1 THR A 56 -2.614 6.441 9.839 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.944 6.795 11.263 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.848 8.490 11.797 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.409 7.635 11.824 1.00 0.00 H new ATOM 582 N PRO A 57 -1.831 10.579 7.672 1.00 0.00 N ATOM 583 CA PRO A 57 -2.003 10.980 6.272 1.00 0.00 C ATOM 584 C PRO A 57 -2.175 9.779 5.346 1.00 0.00 C ATOM 585 O PRO A 57 -2.837 9.869 4.313 1.00 0.00 O ATOM 586 CB PRO A 57 -0.705 11.728 5.943 1.00 0.00 C ATOM 587 CG PRO A 57 0.276 11.269 6.967 1.00 0.00 C ATOM 588 CD PRO A 57 -0.523 10.994 8.208 1.00 0.00 C ATOM 0 HA PRO A 57 -2.900 11.584 6.131 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.361 11.496 4.935 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.849 12.807 5.990 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.799 10.373 6.633 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.034 12.031 7.151 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.069 10.211 8.816 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.607 11.879 8.839 1.00 0.00 H new ATOM 596 N ALA A 58 -1.576 8.655 5.727 1.00 0.00 N ATOM 597 CA ALA A 58 -1.663 7.436 4.932 1.00 0.00 C ATOM 598 C ALA A 58 -3.008 6.743 5.131 1.00 0.00 C ATOM 599 O ALA A 58 -3.562 6.165 4.198 1.00 0.00 O ATOM 600 CB ALA A 58 -0.524 6.493 5.288 1.00 0.00 C ATOM 0 H ALA A 58 -1.026 8.564 6.581 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.579 7.711 3.881 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.601 5.587 4.687 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.429 6.982 5.087 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.583 6.234 6.345 1.00 0.00 H new ATOM 606 N ALA A 59 -3.523 6.805 6.354 1.00 0.00 N ATOM 607 CA ALA A 59 -4.802 6.182 6.677 1.00 0.00 C ATOM 608 C ALA A 59 -5.967 7.101 6.324 1.00 0.00 C ATOM 609 O ALA A 59 -7.062 6.638 6.008 1.00 0.00 O ATOM 610 CB ALA A 59 -4.849 5.811 8.151 1.00 0.00 C ATOM 0 H ALA A 59 -3.075 7.280 7.138 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.897 5.275 6.080 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.809 5.347 8.379 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.045 5.110 8.376 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.727 6.709 8.756 1.00 0.00 H new ATOM 616 N LEU A 60 -5.722 8.406 6.383 1.00 0.00 N ATOM 617 CA LEU A 60 -6.750 9.391 6.069 1.00 0.00 C ATOM 618 C LEU A 60 -6.954 9.501 4.562 1.00 0.00 C ATOM 619 O LEU A 60 -8.082 9.622 4.084 1.00 0.00 O ATOM 620 CB LEU A 60 -6.371 10.757 6.645 1.00 0.00 C ATOM 621 CG LEU A 60 -6.370 10.841 8.174 1.00 0.00 C ATOM 622 CD1 LEU A 60 -5.528 12.016 8.643 1.00 0.00 C ATOM 623 CD2 LEU A 60 -7.792 10.958 8.702 1.00 0.00 C ATOM 0 H LEU A 60 -4.821 8.806 6.645 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.685 9.061 6.522 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.379 11.024 6.282 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.064 11.503 6.256 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.931 9.925 8.569 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.539 12.060 9.732 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.503 11.891 8.295 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.938 12.942 8.239 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.772 11.017 9.790 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.257 11.857 8.298 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.367 10.084 8.396 1.00 0.00 H new ATOM 635 N ASP A 61 -5.854 9.460 3.817 1.00 0.00 N ATOM 636 CA ASP A 61 -5.910 9.554 2.363 1.00 0.00 C ATOM 637 C ASP A 61 -6.473 8.274 1.755 1.00 0.00 C ATOM 638 O ASP A 61 -7.130 8.305 0.715 1.00 0.00 O ATOM 639 CB ASP A 61 -4.518 9.833 1.794 1.00 0.00 C ATOM 640 CG ASP A 61 -4.158 11.305 1.840 1.00 0.00 C ATOM 641 OD1 ASP A 61 -4.762 12.088 1.076 1.00 0.00 O ATOM 642 OD2 ASP A 61 -3.274 11.676 2.641 1.00 0.00 O ATOM 0 H ASP A 61 -4.912 9.362 4.197 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.573 10.380 2.104 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.778 9.263 2.356 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.473 9.483 0.763 1.00 0.00 H new ATOM 647 N GLY A 62 -6.210 7.149 2.411 1.00 0.00 N ATOM 648 CA GLY A 62 -6.697 5.872 1.921 1.00 0.00 C ATOM 649 C GLY A 62 -5.952 5.400 0.688 1.00 0.00 C ATOM 650 O GLY A 62 -6.486 5.441 -0.421 1.00 0.00 O ATOM 0 H GLY A 62 -5.668 7.098 3.274 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.601 5.124 2.708 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.759 5.956 1.690 1.00 0.00 H new ATOM 654 N THR A 63 -4.717 4.951 0.881 1.00 0.00 N ATOM 655 CA THR A 63 -3.897 4.470 -0.224 1.00 0.00 C ATOM 656 C THR A 63 -2.980 3.340 0.231 1.00 0.00 C ATOM 657 O THR A 63 -3.051 2.223 -0.284 1.00 0.00 O ATOM 658 CB THR A 63 -3.066 5.613 -0.806 1.00 0.00 C ATOM 659 OG1 THR A 63 -3.667 6.864 -0.525 1.00 0.00 O ATOM 660 CG2 THR A 63 -2.887 5.519 -2.307 1.00 0.00 C ATOM 0 H THR A 63 -4.262 4.910 1.793 1.00 0.00 H new ATOM 0 HA THR A 63 -4.563 4.085 -0.996 1.00 0.00 H new ATOM 0 HB THR A 63 -2.088 5.528 -0.332 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.324 7.539 -1.147 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.288 6.360 -2.655 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.381 4.586 -2.555 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.863 5.543 -2.792 1.00 0.00 H new ATOM 668 N VAL A 64 -2.118 3.635 1.198 1.00 0.00 N ATOM 669 CA VAL A 64 -1.187 2.644 1.722 1.00 0.00 C ATOM 670 C VAL A 64 -1.674 2.081 3.052 1.00 0.00 C ATOM 671 O VAL A 64 -2.068 2.828 3.947 1.00 0.00 O ATOM 672 CB VAL A 64 0.222 3.239 1.914 1.00 0.00 C ATOM 673 CG1 VAL A 64 0.820 3.636 0.573 1.00 0.00 C ATOM 674 CG2 VAL A 64 0.176 4.429 2.859 1.00 0.00 C ATOM 0 H VAL A 64 -2.045 4.554 1.635 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.136 1.841 0.987 1.00 0.00 H new ATOM 0 HB VAL A 64 0.861 2.477 2.360 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.815 4.054 0.728 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.891 2.757 -0.068 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.183 4.382 0.097 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.180 4.835 2.982 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.478 5.197 2.446 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.207 4.109 3.828 1.00 0.00 H new ATOM 684 N ALA A 65 -1.643 0.758 3.176 1.00 0.00 N ATOM 685 CA ALA A 65 -2.082 0.094 4.397 1.00 0.00 C ATOM 686 C ALA A 65 -1.851 -1.411 4.314 1.00 0.00 C ATOM 687 O ALA A 65 -1.178 -1.897 3.405 1.00 0.00 O ATOM 688 CB ALA A 65 -3.549 0.390 4.663 1.00 0.00 C ATOM 0 H ALA A 65 -1.318 0.125 2.445 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.490 0.483 5.225 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.862 -0.113 5.578 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.689 1.465 4.774 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.150 0.030 3.828 1.00 0.00 H new ATOM 694 N ALA A 66 -2.414 -2.145 5.268 1.00 0.00 N ATOM 695 CA ALA A 66 -2.269 -3.597 5.302 1.00 0.00 C ATOM 696 C ALA A 66 -2.816 -4.231 4.028 1.00 0.00 C ATOM 697 O ALA A 66 -3.928 -3.924 3.596 1.00 0.00 O ATOM 698 CB ALA A 66 -2.974 -4.168 6.523 1.00 0.00 C ATOM 0 H ALA A 66 -2.975 -1.759 6.028 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.207 -3.832 5.367 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.858 -5.252 6.536 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.536 -3.745 7.427 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.034 -3.917 6.482 1.00 0.00 H new ATOM 704 N GLY A 67 -2.027 -5.116 3.429 1.00 0.00 N ATOM 705 CA GLY A 67 -2.449 -5.780 2.209 1.00 0.00 C ATOM 706 C GLY A 67 -1.698 -5.283 0.989 1.00 0.00 C ATOM 707 O GLY A 67 -2.211 -5.340 -0.129 1.00 0.00 O ATOM 0 H GLY A 67 -1.103 -5.386 3.766 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.297 -6.854 2.313 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.518 -5.622 2.064 1.00 0.00 H new ATOM 711 N ASP A 68 -0.481 -4.793 1.203 1.00 0.00 N ATOM 712 CA ASP A 68 0.341 -4.285 0.111 1.00 0.00 C ATOM 713 C ASP A 68 1.802 -4.676 0.303 1.00 0.00 C ATOM 714 O ASP A 68 2.183 -5.200 1.351 1.00 0.00 O ATOM 715 CB ASP A 68 0.217 -2.762 0.018 1.00 0.00 C ATOM 716 CG ASP A 68 -1.199 -2.316 -0.292 1.00 0.00 C ATOM 717 OD1 ASP A 68 -1.868 -2.987 -1.103 1.00 0.00 O ATOM 718 OD2 ASP A 68 -1.636 -1.293 0.277 1.00 0.00 O ATOM 0 H ASP A 68 -0.043 -4.737 2.122 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.017 -4.730 -0.818 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.538 -2.316 0.959 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.889 -2.392 -0.756 1.00 0.00 H new ATOM 723 N GLU A 69 2.618 -4.419 -0.715 1.00 0.00 N ATOM 724 CA GLU A 69 4.037 -4.745 -0.657 1.00 0.00 C ATOM 725 C GLU A 69 4.887 -3.546 -1.067 1.00 0.00 C ATOM 726 O GLU A 69 4.997 -3.225 -2.250 1.00 0.00 O ATOM 727 CB GLU A 69 4.346 -5.937 -1.564 1.00 0.00 C ATOM 728 CG GLU A 69 5.806 -6.365 -1.534 1.00 0.00 C ATOM 729 CD GLU A 69 6.527 -6.073 -2.835 1.00 0.00 C ATOM 730 OE1 GLU A 69 5.927 -6.292 -3.908 1.00 0.00 O ATOM 731 OE2 GLU A 69 7.693 -5.626 -2.781 1.00 0.00 O ATOM 0 H GLU A 69 2.320 -3.986 -1.589 1.00 0.00 H new ATOM 0 HA GLU A 69 4.282 -5.008 0.372 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.723 -6.780 -1.266 1.00 0.00 H new ATOM 0 HB3 GLU A 69 4.071 -5.684 -2.588 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.314 -5.851 -0.718 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.863 -7.433 -1.323 1.00 0.00 H new ATOM 738 N ILE A 70 5.486 -2.887 -0.081 1.00 0.00 N ATOM 739 CA ILE A 70 6.325 -1.723 -0.338 1.00 0.00 C ATOM 740 C ILE A 70 7.623 -2.126 -1.031 1.00 0.00 C ATOM 741 O ILE A 70 8.197 -3.174 -0.732 1.00 0.00 O ATOM 742 CB ILE A 70 6.656 -0.969 0.966 1.00 0.00 C ATOM 743 CG1 ILE A 70 7.455 0.300 0.663 1.00 0.00 C ATOM 744 CG2 ILE A 70 7.425 -1.870 1.922 1.00 0.00 C ATOM 745 CD1 ILE A 70 7.802 1.104 1.896 1.00 0.00 C ATOM 0 H ILE A 70 5.406 -3.140 0.904 1.00 0.00 H new ATOM 0 HA ILE A 70 5.759 -1.061 -0.993 1.00 0.00 H new ATOM 0 HB ILE A 70 5.720 -0.680 1.444 1.00 0.00 H new ATOM 0 HG12 ILE A 70 8.375 0.026 0.147 1.00 0.00 H new ATOM 0 HG13 ILE A 70 6.881 0.927 -0.020 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.650 -1.322 2.837 1.00 0.00 H new ATOM 0 HG22 ILE A 70 6.821 -2.745 2.163 1.00 0.00 H new ATOM 0 HG23 ILE A 70 8.355 -2.189 1.452 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.368 1.989 1.606 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.886 1.409 2.401 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.403 0.494 2.571 1.00 0.00 H new ATOM 757 N THR A 71 8.081 -1.289 -1.955 1.00 0.00 N ATOM 758 CA THR A 71 9.312 -1.560 -2.689 1.00 0.00 C ATOM 759 C THR A 71 9.813 -0.306 -3.399 1.00 0.00 C ATOM 760 O THR A 71 10.302 -0.374 -4.527 1.00 0.00 O ATOM 761 CB THR A 71 9.085 -2.681 -3.705 1.00 0.00 C ATOM 762 OG1 THR A 71 10.291 -3.000 -4.377 1.00 0.00 O ATOM 763 CG2 THR A 71 8.053 -2.336 -4.757 1.00 0.00 C ATOM 0 H THR A 71 7.619 -0.417 -2.214 1.00 0.00 H new ATOM 0 HA THR A 71 10.071 -1.874 -1.973 1.00 0.00 H new ATOM 0 HB THR A 71 8.719 -3.527 -3.124 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.696 -2.180 -4.729 1.00 0.00 H new ATOM 0 HG21 THR A 71 7.941 -3.174 -5.445 1.00 0.00 H new ATOM 0 HG22 THR A 71 7.097 -2.131 -4.275 1.00 0.00 H new ATOM 0 HG23 THR A 71 8.377 -1.454 -5.309 1.00 0.00 H new ATOM 771 N GLY A 72 9.692 0.837 -2.732 1.00 0.00 N ATOM 772 CA GLY A 72 10.140 2.086 -3.318 1.00 0.00 C ATOM 773 C GLY A 72 9.757 3.293 -2.484 1.00 0.00 C ATOM 774 O GLY A 72 8.758 3.270 -1.765 1.00 0.00 O ATOM 0 H GLY A 72 9.292 0.920 -1.797 1.00 0.00 H new ATOM 0 HA2 GLY A 72 11.223 2.060 -3.436 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.713 2.188 -4.316 1.00 0.00 H new ATOM 778 N VAL A 73 10.554 4.352 -2.583 1.00 0.00 N ATOM 779 CA VAL A 73 10.298 5.578 -1.837 1.00 0.00 C ATOM 780 C VAL A 73 10.848 6.793 -2.577 1.00 0.00 C ATOM 781 O VAL A 73 12.019 6.823 -2.955 1.00 0.00 O ATOM 782 CB VAL A 73 10.923 5.522 -0.430 1.00 0.00 C ATOM 783 CG1 VAL A 73 10.447 6.693 0.415 1.00 0.00 C ATOM 784 CG2 VAL A 73 10.601 4.199 0.248 1.00 0.00 C ATOM 0 H VAL A 73 11.385 4.385 -3.174 1.00 0.00 H new ATOM 0 HA VAL A 73 9.216 5.671 -1.741 1.00 0.00 H new ATOM 0 HB VAL A 73 12.006 5.596 -0.533 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.900 6.635 1.405 1.00 0.00 H new ATOM 0 HG12 VAL A 73 10.738 7.628 -0.063 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.362 6.656 0.510 1.00 0.00 H new ATOM 0 HG21 VAL A 73 11.052 4.180 1.240 1.00 0.00 H new ATOM 0 HG22 VAL A 73 9.520 4.090 0.338 1.00 0.00 H new ATOM 0 HG23 VAL A 73 11.000 3.378 -0.348 1.00 0.00 H new ATOM 794 N ASN A 74 9.991 7.793 -2.784 1.00 0.00 N ATOM 795 CA ASN A 74 10.378 9.017 -3.482 1.00 0.00 C ATOM 796 C ASN A 74 11.191 8.709 -4.739 1.00 0.00 C ATOM 797 O ASN A 74 12.050 9.494 -5.142 1.00 0.00 O ATOM 798 CB ASN A 74 11.177 9.935 -2.551 1.00 0.00 C ATOM 799 CG ASN A 74 12.521 9.351 -2.163 1.00 0.00 C ATOM 800 OD1 ASN A 74 13.312 8.957 -3.021 1.00 0.00 O ATOM 801 ND2 ASN A 74 12.786 9.290 -0.864 1.00 0.00 N ATOM 0 H ASN A 74 9.019 7.778 -2.476 1.00 0.00 H new ATOM 0 HA ASN A 74 9.464 9.527 -3.787 1.00 0.00 H new ATOM 0 HB2 ASN A 74 11.331 10.896 -3.041 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.595 10.126 -1.649 1.00 0.00 H new ATOM 0 HD21 ASN A 74 13.674 8.905 -0.542 1.00 0.00 H new ATOM 0 HD22 ASN A 74 12.102 9.628 -0.187 1.00 0.00 H new ATOM 808 N GLY A 75 10.911 7.564 -5.353 1.00 0.00 N ATOM 809 CA GLY A 75 11.624 7.175 -6.556 1.00 0.00 C ATOM 810 C GLY A 75 12.737 6.186 -6.277 1.00 0.00 C ATOM 811 O GLY A 75 13.029 5.320 -7.102 1.00 0.00 O ATOM 0 H GLY A 75 10.204 6.899 -5.040 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.922 6.736 -7.265 1.00 0.00 H new ATOM 0 HA3 GLY A 75 12.042 8.063 -7.030 1.00 0.00 H new ATOM 815 N ARG A 76 13.361 6.314 -5.112 1.00 0.00 N ATOM 816 CA ARG A 76 14.447 5.423 -4.724 1.00 0.00 C ATOM 817 C ARG A 76 13.943 3.996 -4.540 1.00 0.00 C ATOM 818 O ARG A 76 12.756 3.773 -4.304 1.00 0.00 O ATOM 819 CB ARG A 76 15.105 5.919 -3.432 1.00 0.00 C ATOM 820 CG ARG A 76 16.532 6.407 -3.624 1.00 0.00 C ATOM 821 CD ARG A 76 17.380 6.144 -2.391 1.00 0.00 C ATOM 822 NE ARG A 76 18.787 6.468 -2.615 1.00 0.00 N ATOM 823 CZ ARG A 76 19.636 5.673 -3.266 1.00 0.00 C ATOM 824 NH1 ARG A 76 19.224 4.511 -3.757 1.00 0.00 N ATOM 825 NH2 ARG A 76 20.899 6.043 -3.427 1.00 0.00 N ATOM 0 H ARG A 76 13.133 7.027 -4.419 1.00 0.00 H new ATOM 0 HA ARG A 76 15.188 5.424 -5.524 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.506 6.729 -3.017 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.101 5.112 -2.699 1.00 0.00 H new ATOM 0 HG2 ARG A 76 16.976 5.908 -4.485 1.00 0.00 H new ATOM 0 HG3 ARG A 76 16.526 7.475 -3.842 1.00 0.00 H new ATOM 0 HD2 ARG A 76 17.000 6.735 -1.557 1.00 0.00 H new ATOM 0 HD3 ARG A 76 17.290 5.096 -2.106 1.00 0.00 H new ATOM 0 HE ARG A 76 19.140 7.354 -2.252 1.00 0.00 H new ATOM 0 HH11 ARG A 76 18.253 4.222 -3.637 1.00 0.00 H new ATOM 0 HH12 ARG A 76 19.878 3.907 -4.254 1.00 0.00 H new ATOM 0 HH21 ARG A 76 21.221 6.936 -3.053 1.00 0.00 H new ATOM 0 HH22 ARG A 76 21.549 5.435 -3.925 1.00 0.00 H new ATOM 839 N SER A 77 14.853 3.032 -4.652 1.00 0.00 N ATOM 840 CA SER A 77 14.499 1.626 -4.497 1.00 0.00 C ATOM 841 C SER A 77 14.881 1.119 -3.110 1.00 0.00 C ATOM 842 O SER A 77 15.900 1.522 -2.550 1.00 0.00 O ATOM 843 CB SER A 77 15.190 0.784 -5.570 1.00 0.00 C ATOM 844 OG SER A 77 15.382 1.530 -6.760 1.00 0.00 O ATOM 0 H SER A 77 15.840 3.200 -4.849 1.00 0.00 H new ATOM 0 HA SER A 77 13.419 1.533 -4.613 1.00 0.00 H new ATOM 0 HB2 SER A 77 16.153 0.434 -5.198 1.00 0.00 H new ATOM 0 HB3 SER A 77 14.590 -0.101 -5.785 1.00 0.00 H new ATOM 0 HG SER A 77 15.827 0.969 -7.429 1.00 0.00 H new ATOM 850 N ILE A 78 14.055 0.233 -2.561 1.00 0.00 N ATOM 851 CA ILE A 78 14.307 -0.329 -1.240 1.00 0.00 C ATOM 852 C ILE A 78 14.267 -1.855 -1.267 1.00 0.00 C ATOM 853 O ILE A 78 14.146 -2.498 -0.224 1.00 0.00 O ATOM 854 CB ILE A 78 13.277 0.179 -0.211 1.00 0.00 C ATOM 855 CG1 ILE A 78 11.873 -0.315 -0.573 1.00 0.00 C ATOM 856 CG2 ILE A 78 13.307 1.698 -0.138 1.00 0.00 C ATOM 857 CD1 ILE A 78 11.540 -1.671 0.011 1.00 0.00 C ATOM 0 H ILE A 78 13.206 -0.110 -3.011 1.00 0.00 H new ATOM 0 HA ILE A 78 15.304 -0.002 -0.945 1.00 0.00 H new ATOM 0 HB ILE A 78 13.539 -0.218 0.770 1.00 0.00 H new ATOM 0 HG12 ILE A 78 11.140 0.412 -0.224 1.00 0.00 H new ATOM 0 HG13 ILE A 78 11.782 -0.364 -1.658 1.00 0.00 H new ATOM 0 HG21 ILE A 78 12.575 2.042 0.592 1.00 0.00 H new ATOM 0 HG22 ILE A 78 14.301 2.028 0.162 1.00 0.00 H new ATOM 0 HG23 ILE A 78 13.066 2.114 -1.116 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.531 -1.957 -0.286 1.00 0.00 H new ATOM 0 HD12 ILE A 78 12.251 -2.411 -0.358 1.00 0.00 H new ATOM 0 HD13 ILE A 78 11.598 -1.623 1.098 1.00 0.00 H new ATOM 869 N LYS A 79 14.365 -2.431 -2.462 1.00 0.00 N ATOM 870 CA LYS A 79 14.334 -3.880 -2.611 1.00 0.00 C ATOM 871 C LYS A 79 15.472 -4.535 -1.833 1.00 0.00 C ATOM 872 O LYS A 79 15.324 -5.638 -1.310 1.00 0.00 O ATOM 873 CB LYS A 79 14.425 -4.264 -4.090 1.00 0.00 C ATOM 874 CG LYS A 79 13.073 -4.337 -4.784 1.00 0.00 C ATOM 875 CD LYS A 79 12.699 -5.770 -5.132 1.00 0.00 C ATOM 876 CE LYS A 79 11.773 -6.372 -4.088 1.00 0.00 C ATOM 877 NZ LYS A 79 10.830 -7.359 -4.685 1.00 0.00 N ATOM 0 H LYS A 79 14.466 -1.917 -3.337 1.00 0.00 H new ATOM 0 HA LYS A 79 13.388 -4.240 -2.206 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.051 -3.537 -4.608 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.921 -5.231 -4.176 1.00 0.00 H new ATOM 0 HG2 LYS A 79 12.308 -3.907 -4.137 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.097 -3.736 -5.693 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.214 -5.794 -6.108 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.603 -6.374 -5.210 1.00 0.00 H new ATOM 0 HE2 LYS A 79 12.366 -6.859 -3.314 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.207 -5.577 -3.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.216 -7.747 -3.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.246 -6.889 -5.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 11.369 -8.131 -5.126 1.00 0.00 H new ATOM 891 N GLY A 80 16.605 -3.845 -1.761 1.00 0.00 N ATOM 892 CA GLY A 80 17.751 -4.374 -1.043 1.00 0.00 C ATOM 893 C GLY A 80 17.975 -3.677 0.284 1.00 0.00 C ATOM 894 O GLY A 80 19.101 -3.306 0.614 1.00 0.00 O ATOM 0 H GLY A 80 16.751 -2.930 -2.186 1.00 0.00 H new ATOM 0 HA2 GLY A 80 17.607 -5.441 -0.870 1.00 0.00 H new ATOM 0 HA3 GLY A 80 18.643 -4.269 -1.660 1.00 0.00 H new ATOM 898 N LYS A 81 16.901 -3.497 1.044 1.00 0.00 N ATOM 899 CA LYS A 81 16.986 -2.839 2.343 1.00 0.00 C ATOM 900 C LYS A 81 16.147 -3.575 3.383 1.00 0.00 C ATOM 901 O LYS A 81 15.144 -4.206 3.052 1.00 0.00 O ATOM 902 CB LYS A 81 16.518 -1.385 2.232 1.00 0.00 C ATOM 903 CG LYS A 81 17.349 -0.551 1.270 1.00 0.00 C ATOM 904 CD LYS A 81 18.234 0.440 2.007 1.00 0.00 C ATOM 905 CE LYS A 81 18.537 1.659 1.152 1.00 0.00 C ATOM 906 NZ LYS A 81 19.897 2.203 1.422 1.00 0.00 N ATOM 0 H LYS A 81 15.962 -3.797 0.784 1.00 0.00 H new ATOM 0 HA LYS A 81 18.028 -2.857 2.664 1.00 0.00 H new ATOM 0 HB2 LYS A 81 15.478 -1.371 1.907 1.00 0.00 H new ATOM 0 HB3 LYS A 81 16.550 -0.925 3.220 1.00 0.00 H new ATOM 0 HG2 LYS A 81 17.968 -1.208 0.660 1.00 0.00 H new ATOM 0 HG3 LYS A 81 16.688 -0.013 0.590 1.00 0.00 H new ATOM 0 HD2 LYS A 81 17.742 0.753 2.928 1.00 0.00 H new ATOM 0 HD3 LYS A 81 19.167 -0.046 2.293 1.00 0.00 H new ATOM 0 HE2 LYS A 81 18.455 1.393 0.098 1.00 0.00 H new ATOM 0 HE3 LYS A 81 17.792 2.431 1.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 20.065 3.034 0.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 19.967 2.481 2.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 20.610 1.475 1.214 1.00 0.00 H new ATOM 920 N THR A 82 16.566 -3.491 4.642 1.00 0.00 N ATOM 921 CA THR A 82 15.853 -4.148 5.730 1.00 0.00 C ATOM 922 C THR A 82 14.788 -3.229 6.316 1.00 0.00 C ATOM 923 O THR A 82 14.699 -2.055 5.954 1.00 0.00 O ATOM 924 CB THR A 82 16.833 -4.576 6.824 1.00 0.00 C ATOM 925 OG1 THR A 82 18.092 -4.910 6.267 1.00 0.00 O ATOM 926 CG2 THR A 82 16.355 -5.768 7.624 1.00 0.00 C ATOM 0 H THR A 82 17.396 -2.974 4.933 1.00 0.00 H new ATOM 0 HA THR A 82 15.360 -5.033 5.326 1.00 0.00 H new ATOM 0 HB THR A 82 16.911 -3.718 7.492 1.00 0.00 H new ATOM 0 HG1 THR A 82 18.705 -5.179 6.982 1.00 0.00 H new ATOM 0 HG21 THR A 82 17.097 -6.019 8.382 1.00 0.00 H new ATOM 0 HG22 THR A 82 15.409 -5.526 8.108 1.00 0.00 H new ATOM 0 HG23 THR A 82 16.214 -6.620 6.959 1.00 0.00 H new ATOM 934 N LYS A 83 13.979 -3.768 7.223 1.00 0.00 N ATOM 935 CA LYS A 83 12.918 -2.994 7.859 1.00 0.00 C ATOM 936 C LYS A 83 13.485 -1.762 8.558 1.00 0.00 C ATOM 937 O LYS A 83 12.869 -0.697 8.558 1.00 0.00 O ATOM 938 CB LYS A 83 12.158 -3.860 8.865 1.00 0.00 C ATOM 939 CG LYS A 83 13.026 -4.389 9.994 1.00 0.00 C ATOM 940 CD LYS A 83 12.188 -5.021 11.094 1.00 0.00 C ATOM 941 CE LYS A 83 12.748 -4.710 12.472 1.00 0.00 C ATOM 942 NZ LYS A 83 14.159 -5.161 12.613 1.00 0.00 N ATOM 0 H LYS A 83 14.038 -4.738 7.534 1.00 0.00 H new ATOM 0 HA LYS A 83 12.230 -2.663 7.081 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.341 -3.276 9.289 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.708 -4.702 8.339 1.00 0.00 H new ATOM 0 HG2 LYS A 83 13.727 -5.126 9.601 1.00 0.00 H new ATOM 0 HG3 LYS A 83 13.619 -3.575 10.410 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.163 -4.656 11.026 1.00 0.00 H new ATOM 0 HD3 LYS A 83 12.152 -6.101 10.950 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.690 -3.637 12.653 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.134 -5.195 13.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.197 -5.992 13.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 14.538 -5.413 11.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 14.729 -4.394 13.022 1.00 0.00 H new ATOM 956 N VAL A 84 14.666 -1.915 9.151 1.00 0.00 N ATOM 957 CA VAL A 84 15.317 -0.813 9.849 1.00 0.00 C ATOM 958 C VAL A 84 15.850 0.221 8.864 1.00 0.00 C ATOM 959 O VAL A 84 15.826 1.422 9.134 1.00 0.00 O ATOM 960 CB VAL A 84 16.477 -1.312 10.733 1.00 0.00 C ATOM 961 CG1 VAL A 84 15.942 -2.035 11.958 1.00 0.00 C ATOM 962 CG2 VAL A 84 17.407 -2.214 9.935 1.00 0.00 C ATOM 0 H VAL A 84 15.190 -2.790 9.162 1.00 0.00 H new ATOM 0 HA VAL A 84 14.562 -0.351 10.484 1.00 0.00 H new ATOM 0 HB VAL A 84 17.049 -0.448 11.071 1.00 0.00 H new ATOM 0 HG11 VAL A 84 16.776 -2.380 12.570 1.00 0.00 H new ATOM 0 HG12 VAL A 84 15.322 -1.354 12.541 1.00 0.00 H new ATOM 0 HG13 VAL A 84 15.344 -2.891 11.643 1.00 0.00 H new ATOM 0 HG21 VAL A 84 18.220 -2.557 10.576 1.00 0.00 H new ATOM 0 HG22 VAL A 84 16.850 -3.074 9.564 1.00 0.00 H new ATOM 0 HG23 VAL A 84 17.819 -1.658 9.093 1.00 0.00 H new ATOM 972 N GLU A 85 16.328 -0.255 7.719 1.00 0.00 N ATOM 973 CA GLU A 85 16.866 0.627 6.690 1.00 0.00 C ATOM 974 C GLU A 85 15.751 1.441 6.038 1.00 0.00 C ATOM 975 O GLU A 85 15.852 2.660 5.910 1.00 0.00 O ATOM 976 CB GLU A 85 17.610 -0.184 5.629 1.00 0.00 C ATOM 977 CG GLU A 85 18.788 -0.970 6.181 1.00 0.00 C ATOM 978 CD GLU A 85 20.011 -0.892 5.287 1.00 0.00 C ATOM 979 OE1 GLU A 85 20.434 0.235 4.958 1.00 0.00 O ATOM 980 OE2 GLU A 85 20.545 -1.959 4.916 1.00 0.00 O ATOM 0 H GLU A 85 16.354 -1.246 7.480 1.00 0.00 H new ATOM 0 HA GLU A 85 17.566 1.315 7.165 1.00 0.00 H new ATOM 0 HB2 GLU A 85 16.912 -0.875 5.156 1.00 0.00 H new ATOM 0 HB3 GLU A 85 17.967 0.491 4.851 1.00 0.00 H new ATOM 0 HG2 GLU A 85 19.041 -0.591 7.171 1.00 0.00 H new ATOM 0 HG3 GLU A 85 18.498 -2.014 6.304 1.00 0.00 H new ATOM 987 N VAL A 86 14.688 0.756 5.630 1.00 0.00 N ATOM 988 CA VAL A 86 13.554 1.415 4.994 1.00 0.00 C ATOM 989 C VAL A 86 12.868 2.371 5.963 1.00 0.00 C ATOM 990 O VAL A 86 12.404 3.443 5.571 1.00 0.00 O ATOM 991 CB VAL A 86 12.522 0.394 4.480 1.00 0.00 C ATOM 992 CG1 VAL A 86 11.444 1.089 3.662 1.00 0.00 C ATOM 993 CG2 VAL A 86 13.206 -0.693 3.662 1.00 0.00 C ATOM 0 H VAL A 86 14.588 -0.254 5.728 1.00 0.00 H new ATOM 0 HA VAL A 86 13.947 1.976 4.146 1.00 0.00 H new ATOM 0 HB VAL A 86 12.046 -0.077 5.340 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.724 0.351 3.307 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.934 1.825 4.283 1.00 0.00 H new ATOM 0 HG13 VAL A 86 11.901 1.589 2.808 1.00 0.00 H new ATOM 0 HG21 VAL A 86 12.461 -1.405 3.308 1.00 0.00 H new ATOM 0 HG22 VAL A 86 13.712 -0.242 2.808 1.00 0.00 H new ATOM 0 HG23 VAL A 86 13.936 -1.211 4.284 1.00 0.00 H new ATOM 1003 N ALA A 87 12.806 1.976 7.231 1.00 0.00 N ATOM 1004 CA ALA A 87 12.179 2.798 8.257 1.00 0.00 C ATOM 1005 C ALA A 87 12.893 4.138 8.394 1.00 0.00 C ATOM 1006 O ALA A 87 12.267 5.195 8.335 1.00 0.00 O ATOM 1007 CB ALA A 87 12.171 2.062 9.589 1.00 0.00 C ATOM 0 H ALA A 87 13.183 1.091 7.571 1.00 0.00 H new ATOM 0 HA ALA A 87 11.149 2.993 7.957 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.700 2.687 10.347 1.00 0.00 H new ATOM 0 HB2 ALA A 87 11.612 1.132 9.487 1.00 0.00 H new ATOM 0 HB3 ALA A 87 13.195 1.839 9.888 1.00 0.00 H new ATOM 1013 N LYS A 88 14.208 4.085 8.574 1.00 0.00 N ATOM 1014 CA LYS A 88 15.009 5.295 8.716 1.00 0.00 C ATOM 1015 C LYS A 88 14.926 6.147 7.452 1.00 0.00 C ATOM 1016 O LYS A 88 14.991 7.375 7.514 1.00 0.00 O ATOM 1017 CB LYS A 88 16.467 4.937 9.013 1.00 0.00 C ATOM 1018 CG LYS A 88 16.866 5.169 10.461 1.00 0.00 C ATOM 1019 CD LYS A 88 17.032 3.859 11.214 1.00 0.00 C ATOM 1020 CE LYS A 88 18.485 3.410 11.233 1.00 0.00 C ATOM 1021 NZ LYS A 88 18.611 1.934 11.076 1.00 0.00 N ATOM 0 H LYS A 88 14.742 3.217 8.625 1.00 0.00 H new ATOM 0 HA LYS A 88 14.611 5.872 9.551 1.00 0.00 H new ATOM 0 HB2 LYS A 88 16.634 3.890 8.762 1.00 0.00 H new ATOM 0 HB3 LYS A 88 17.117 5.527 8.367 1.00 0.00 H new ATOM 0 HG2 LYS A 88 17.800 5.730 10.496 1.00 0.00 H new ATOM 0 HG3 LYS A 88 16.109 5.779 10.954 1.00 0.00 H new ATOM 0 HD2 LYS A 88 16.673 3.977 12.236 1.00 0.00 H new ATOM 0 HD3 LYS A 88 16.418 3.089 10.747 1.00 0.00 H new ATOM 0 HE2 LYS A 88 19.030 3.908 10.431 1.00 0.00 H new ATOM 0 HE3 LYS A 88 18.948 3.716 12.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 19.616 1.668 11.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 18.113 1.458 11.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 18.192 1.644 10.169 1.00 0.00 H new ATOM 1035 N MET A 89 14.781 5.485 6.309 1.00 0.00 N ATOM 1036 CA MET A 89 14.689 6.179 5.030 1.00 0.00 C ATOM 1037 C MET A 89 13.502 7.137 5.018 1.00 0.00 C ATOM 1038 O MET A 89 13.664 8.340 4.812 1.00 0.00 O ATOM 1039 CB MET A 89 14.556 5.169 3.888 1.00 0.00 C ATOM 1040 CG MET A 89 14.441 5.810 2.515 1.00 0.00 C ATOM 1041 SD MET A 89 13.707 4.704 1.295 1.00 0.00 S ATOM 1042 CE MET A 89 15.102 4.427 0.207 1.00 0.00 C ATOM 0 H MET A 89 14.725 4.469 6.242 1.00 0.00 H new ATOM 0 HA MET A 89 15.602 6.757 4.890 1.00 0.00 H new ATOM 0 HB2 MET A 89 15.421 4.506 3.898 1.00 0.00 H new ATOM 0 HB3 MET A 89 13.677 4.549 4.064 1.00 0.00 H new ATOM 0 HG2 MET A 89 13.838 6.715 2.590 1.00 0.00 H new ATOM 0 HG3 MET A 89 15.431 6.114 2.176 1.00 0.00 H new ATOM 0 HE1 MET A 89 14.751 4.007 -0.735 1.00 0.00 H new ATOM 0 HE2 MET A 89 15.608 5.373 0.016 1.00 0.00 H new ATOM 0 HE3 MET A 89 15.798 3.732 0.677 1.00 0.00 H new ATOM 1052 N ILE A 90 12.308 6.595 5.239 1.00 0.00 N ATOM 1053 CA ILE A 90 11.092 7.400 5.254 1.00 0.00 C ATOM 1054 C ILE A 90 11.192 8.527 6.277 1.00 0.00 C ATOM 1055 O ILE A 90 10.890 9.682 5.977 1.00 0.00 O ATOM 1056 CB ILE A 90 9.850 6.543 5.569 1.00 0.00 C ATOM 1057 CG1 ILE A 90 9.795 5.320 4.649 1.00 0.00 C ATOM 1058 CG2 ILE A 90 8.583 7.373 5.429 1.00 0.00 C ATOM 1059 CD1 ILE A 90 9.850 5.667 3.176 1.00 0.00 C ATOM 0 H ILE A 90 12.157 5.601 5.410 1.00 0.00 H new ATOM 0 HA ILE A 90 10.984 7.826 4.256 1.00 0.00 H new ATOM 0 HB ILE A 90 9.923 6.195 6.599 1.00 0.00 H new ATOM 0 HG12 ILE A 90 10.627 4.657 4.889 1.00 0.00 H new ATOM 0 HG13 ILE A 90 8.878 4.766 4.849 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.715 6.753 5.655 1.00 0.00 H new ATOM 0 HG22 ILE A 90 8.620 8.213 6.123 1.00 0.00 H new ATOM 0 HG23 ILE A 90 8.505 7.749 4.409 1.00 0.00 H new ATOM 0 HD11 ILE A 90 9.807 4.752 2.585 1.00 0.00 H new ATOM 0 HD12 ILE A 90 9.004 6.305 2.921 1.00 0.00 H new ATOM 0 HD13 ILE A 90 10.779 6.194 2.961 1.00 0.00 H new ATOM 1071 N GLN A 91 11.620 8.184 7.488 1.00 0.00 N ATOM 1072 CA GLN A 91 11.759 9.167 8.557 1.00 0.00 C ATOM 1073 C GLN A 91 12.723 10.279 8.152 1.00 0.00 C ATOM 1074 O GLN A 91 12.608 11.413 8.618 1.00 0.00 O ATOM 1075 CB GLN A 91 12.252 8.491 9.838 1.00 0.00 C ATOM 1076 CG GLN A 91 11.137 7.872 10.665 1.00 0.00 C ATOM 1077 CD GLN A 91 11.621 7.372 12.013 1.00 0.00 C ATOM 1078 OE1 GLN A 91 12.160 8.136 12.814 1.00 0.00 O ATOM 1079 NE2 GLN A 91 11.430 6.082 12.269 1.00 0.00 N ATOM 0 H GLN A 91 11.876 7.233 7.754 1.00 0.00 H new ATOM 0 HA GLN A 91 10.780 9.609 8.741 1.00 0.00 H new ATOM 0 HB2 GLN A 91 12.972 7.716 9.576 1.00 0.00 H new ATOM 0 HB3 GLN A 91 12.780 9.225 10.446 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.349 8.610 10.817 1.00 0.00 H new ATOM 0 HG3 GLN A 91 10.696 7.043 10.111 1.00 0.00 H new ATOM 0 HE21 GLN A 91 10.979 5.486 11.575 1.00 0.00 H new ATOM 0 HE22 GLN A 91 11.735 5.688 13.159 1.00 0.00 H new ATOM 1088 N GLU A 92 13.672 9.947 7.282 1.00 0.00 N ATOM 1089 CA GLU A 92 14.654 10.918 6.817 1.00 0.00 C ATOM 1090 C GLU A 92 14.047 11.849 5.771 1.00 0.00 C ATOM 1091 O GLU A 92 14.389 13.030 5.702 1.00 0.00 O ATOM 1092 CB GLU A 92 15.872 10.201 6.230 1.00 0.00 C ATOM 1093 CG GLU A 92 16.906 9.806 7.273 1.00 0.00 C ATOM 1094 CD GLU A 92 18.328 9.945 6.765 1.00 0.00 C ATOM 1095 OE1 GLU A 92 18.729 9.143 5.898 1.00 0.00 O ATOM 1096 OE2 GLU A 92 19.039 10.858 7.237 1.00 0.00 O ATOM 0 H GLU A 92 13.781 9.013 6.886 1.00 0.00 H new ATOM 0 HA GLU A 92 14.968 11.516 7.672 1.00 0.00 H new ATOM 0 HB2 GLU A 92 15.538 9.306 5.704 1.00 0.00 H new ATOM 0 HB3 GLU A 92 16.343 10.848 5.490 1.00 0.00 H new ATOM 0 HG2 GLU A 92 16.778 10.427 8.160 1.00 0.00 H new ATOM 0 HG3 GLU A 92 16.732 8.774 7.579 1.00 0.00 H new ATOM 1103 N VAL A 93 13.143 11.311 4.959 1.00 0.00 N ATOM 1104 CA VAL A 93 12.488 12.094 3.919 1.00 0.00 C ATOM 1105 C VAL A 93 11.652 13.217 4.521 1.00 0.00 C ATOM 1106 O VAL A 93 11.282 13.169 5.695 1.00 0.00 O ATOM 1107 CB VAL A 93 11.581 11.214 3.036 1.00 0.00 C ATOM 1108 CG1 VAL A 93 11.129 11.983 1.804 1.00 0.00 C ATOM 1109 CG2 VAL A 93 12.300 9.932 2.639 1.00 0.00 C ATOM 0 H VAL A 93 12.848 10.336 5.002 1.00 0.00 H new ATOM 0 HA VAL A 93 13.279 12.521 3.302 1.00 0.00 H new ATOM 0 HB VAL A 93 10.697 10.943 3.613 1.00 0.00 H new ATOM 0 HG11 VAL A 93 10.490 11.347 1.192 1.00 0.00 H new ATOM 0 HG12 VAL A 93 10.572 12.868 2.112 1.00 0.00 H new ATOM 0 HG13 VAL A 93 12.001 12.286 1.224 1.00 0.00 H new ATOM 0 HG21 VAL A 93 11.643 9.325 2.016 1.00 0.00 H new ATOM 0 HG22 VAL A 93 13.203 10.179 2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 93 12.569 9.373 3.535 1.00 0.00 H new ATOM 1119 N LYS A 94 11.356 14.229 3.710 1.00 0.00 N ATOM 1120 CA LYS A 94 10.563 15.365 4.164 1.00 0.00 C ATOM 1121 C LYS A 94 9.585 15.813 3.083 1.00 0.00 C ATOM 1122 O LYS A 94 9.903 15.785 1.894 1.00 0.00 O ATOM 1123 CB LYS A 94 11.476 16.529 4.555 1.00 0.00 C ATOM 1124 CG LYS A 94 12.467 16.916 3.469 1.00 0.00 C ATOM 1125 CD LYS A 94 11.932 18.043 2.602 1.00 0.00 C ATOM 1126 CE LYS A 94 12.894 18.389 1.478 1.00 0.00 C ATOM 1127 NZ LYS A 94 13.053 19.861 1.314 1.00 0.00 N ATOM 0 H LYS A 94 11.654 14.285 2.736 1.00 0.00 H new ATOM 0 HA LYS A 94 9.992 15.050 5.038 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.862 17.395 4.800 1.00 0.00 H new ATOM 0 HB3 LYS A 94 12.025 16.262 5.458 1.00 0.00 H new ATOM 0 HG2 LYS A 94 13.408 17.223 3.926 1.00 0.00 H new ATOM 0 HG3 LYS A 94 12.683 16.048 2.846 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.969 17.753 2.181 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.758 18.926 3.218 1.00 0.00 H new ATOM 0 HE2 LYS A 94 13.866 17.940 1.681 1.00 0.00 H new ATOM 0 HE3 LYS A 94 12.532 17.957 0.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 13.717 20.054 0.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 12.130 20.288 1.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 13.423 20.271 2.196 1.00 0.00 H new ATOM 1141 N GLY A 95 8.393 16.222 3.503 1.00 0.00 N ATOM 1142 CA GLY A 95 7.386 16.668 2.558 1.00 0.00 C ATOM 1143 C GLY A 95 6.552 15.525 2.014 1.00 0.00 C ATOM 1144 O GLY A 95 6.169 14.620 2.756 1.00 0.00 O ATOM 0 H GLY A 95 8.106 16.253 4.481 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.732 17.391 3.044 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.873 17.184 1.730 1.00 0.00 H new ATOM 1148 N GLU A 96 6.272 15.565 0.715 1.00 0.00 N ATOM 1149 CA GLU A 96 5.478 14.524 0.073 1.00 0.00 C ATOM 1150 C GLU A 96 6.352 13.335 -0.315 1.00 0.00 C ATOM 1151 O GLU A 96 7.269 13.466 -1.125 1.00 0.00 O ATOM 1152 CB GLU A 96 4.775 15.080 -1.166 1.00 0.00 C ATOM 1153 CG GLU A 96 5.714 15.785 -2.133 1.00 0.00 C ATOM 1154 CD GLU A 96 5.608 17.295 -2.052 1.00 0.00 C ATOM 1155 OE1 GLU A 96 4.750 17.869 -2.754 1.00 0.00 O ATOM 1156 OE2 GLU A 96 6.385 17.903 -1.286 1.00 0.00 O ATOM 0 H GLU A 96 6.583 16.306 0.087 1.00 0.00 H new ATOM 0 HA GLU A 96 4.727 14.183 0.786 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.276 14.263 -1.688 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.000 15.778 -0.851 1.00 0.00 H new ATOM 0 HG2 GLU A 96 6.740 15.485 -1.921 1.00 0.00 H new ATOM 0 HG3 GLU A 96 5.491 15.463 -3.150 1.00 0.00 H new ATOM 1163 N VAL A 97 6.060 12.178 0.269 1.00 0.00 N ATOM 1164 CA VAL A 97 6.819 10.966 -0.017 1.00 0.00 C ATOM 1165 C VAL A 97 6.068 10.064 -0.990 1.00 0.00 C ATOM 1166 O VAL A 97 4.864 9.852 -0.852 1.00 0.00 O ATOM 1167 CB VAL A 97 7.121 10.175 1.270 1.00 0.00 C ATOM 1168 CG1 VAL A 97 8.172 10.892 2.105 1.00 0.00 C ATOM 1169 CG2 VAL A 97 5.849 9.958 2.074 1.00 0.00 C ATOM 0 H VAL A 97 5.304 12.054 0.943 1.00 0.00 H new ATOM 0 HA VAL A 97 7.759 11.281 -0.470 1.00 0.00 H new ATOM 0 HB VAL A 97 7.517 9.199 0.989 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.372 10.318 3.010 1.00 0.00 H new ATOM 0 HG12 VAL A 97 9.091 10.990 1.527 1.00 0.00 H new ATOM 0 HG13 VAL A 97 7.807 11.882 2.377 1.00 0.00 H new ATOM 0 HG21 VAL A 97 6.082 9.398 2.979 1.00 0.00 H new ATOM 0 HG22 VAL A 97 5.421 10.923 2.345 1.00 0.00 H new ATOM 0 HG23 VAL A 97 5.131 9.398 1.475 1.00 0.00 H new ATOM 1179 N THR A 98 6.789 9.532 -1.972 1.00 0.00 N ATOM 1180 CA THR A 98 6.190 8.650 -2.967 1.00 0.00 C ATOM 1181 C THR A 98 6.604 7.202 -2.730 1.00 0.00 C ATOM 1182 O THR A 98 7.661 6.765 -3.184 1.00 0.00 O ATOM 1183 CB THR A 98 6.598 9.085 -4.376 1.00 0.00 C ATOM 1184 OG1 THR A 98 6.562 10.495 -4.496 1.00 0.00 O ATOM 1185 CG2 THR A 98 5.712 8.510 -5.460 1.00 0.00 C ATOM 0 H THR A 98 7.788 9.696 -2.100 1.00 0.00 H new ATOM 0 HA THR A 98 5.106 8.719 -2.872 1.00 0.00 H new ATOM 0 HB THR A 98 7.609 8.703 -4.514 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.828 10.753 -5.403 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.056 8.858 -6.434 1.00 0.00 H new ATOM 0 HG22 THR A 98 5.757 7.421 -5.427 1.00 0.00 H new ATOM 0 HG23 THR A 98 4.684 8.836 -5.301 1.00 0.00 H new ATOM 1193 N ILE A 99 5.763 6.460 -2.017 1.00 0.00 N ATOM 1194 CA ILE A 99 6.043 5.061 -1.719 1.00 0.00 C ATOM 1195 C ILE A 99 5.411 4.141 -2.758 1.00 0.00 C ATOM 1196 O ILE A 99 4.222 4.254 -3.061 1.00 0.00 O ATOM 1197 CB ILE A 99 5.529 4.669 -0.320 1.00 0.00 C ATOM 1198 CG1 ILE A 99 6.025 5.668 0.727 1.00 0.00 C ATOM 1199 CG2 ILE A 99 5.974 3.259 0.034 1.00 0.00 C ATOM 1200 CD1 ILE A 99 5.202 6.937 0.788 1.00 0.00 C ATOM 0 H ILE A 99 4.882 6.805 -1.635 1.00 0.00 H new ATOM 0 HA ILE A 99 7.126 4.943 -1.744 1.00 0.00 H new ATOM 0 HB ILE A 99 4.439 4.692 -0.331 1.00 0.00 H new ATOM 0 HG12 ILE A 99 6.015 5.190 1.707 1.00 0.00 H new ATOM 0 HG13 ILE A 99 7.061 5.926 0.509 1.00 0.00 H new ATOM 0 HG21 ILE A 99 5.603 2.998 1.025 1.00 0.00 H new ATOM 0 HG22 ILE A 99 5.576 2.557 -0.699 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.063 3.209 0.030 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.610 7.599 1.551 1.00 0.00 H new ATOM 0 HD12 ILE A 99 5.232 7.437 -0.180 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.170 6.690 1.037 1.00 0.00 H new ATOM 1212 N HIS A 100 6.213 3.233 -3.302 1.00 0.00 N ATOM 1213 CA HIS A 100 5.733 2.292 -4.308 1.00 0.00 C ATOM 1214 C HIS A 100 5.350 0.962 -3.669 1.00 0.00 C ATOM 1215 O HIS A 100 6.214 0.190 -3.252 1.00 0.00 O ATOM 1216 CB HIS A 100 6.804 2.067 -5.377 1.00 0.00 C ATOM 1217 CG HIS A 100 7.370 3.337 -5.936 1.00 0.00 C ATOM 1218 ND1 HIS A 100 7.262 3.688 -7.265 1.00 0.00 N ATOM 1219 CD2 HIS A 100 8.051 4.342 -5.337 1.00 0.00 C ATOM 1220 CE1 HIS A 100 7.853 4.853 -7.459 1.00 0.00 C ATOM 1221 NE2 HIS A 100 8.339 5.272 -6.306 1.00 0.00 N ATOM 0 H HIS A 100 7.199 3.128 -3.063 1.00 0.00 H new ATOM 0 HA HIS A 100 4.846 2.719 -4.776 1.00 0.00 H new ATOM 0 HB2 HIS A 100 7.614 1.476 -4.949 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.376 1.481 -6.190 1.00 0.00 H new ATOM 0 HD1 HIS A 100 6.798 3.135 -7.985 1.00 0.00 H new ATOM 0 HD2 HIS A 100 8.318 4.401 -4.292 1.00 0.00 H new ATOM 0 HE1 HIS A 100 7.926 5.375 -8.402 1.00 0.00 H new ATOM 1230 N TYR A 101 4.048 0.700 -3.595 1.00 0.00 N ATOM 1231 CA TYR A 101 3.550 -0.539 -3.008 1.00 0.00 C ATOM 1232 C TYR A 101 2.833 -1.388 -4.053 1.00 0.00 C ATOM 1233 O TYR A 101 2.225 -0.860 -4.985 1.00 0.00 O ATOM 1234 CB TYR A 101 2.604 -0.231 -1.845 1.00 0.00 C ATOM 1235 CG TYR A 101 1.319 0.447 -2.266 1.00 0.00 C ATOM 1236 CD1 TYR A 101 0.277 -0.284 -2.824 1.00 0.00 C ATOM 1237 CD2 TYR A 101 1.148 1.816 -2.106 1.00 0.00 C ATOM 1238 CE1 TYR A 101 -0.897 0.331 -3.212 1.00 0.00 C ATOM 1239 CE2 TYR A 101 -0.025 2.438 -2.490 1.00 0.00 C ATOM 1240 CZ TYR A 101 -1.044 1.692 -3.041 1.00 0.00 C ATOM 1241 OH TYR A 101 -2.213 2.307 -3.426 1.00 0.00 O ATOM 0 H TYR A 101 3.320 1.329 -3.934 1.00 0.00 H new ATOM 0 HA TYR A 101 4.404 -1.104 -2.633 1.00 0.00 H new ATOM 0 HB2 TYR A 101 2.362 -1.161 -1.330 1.00 0.00 H new ATOM 0 HB3 TYR A 101 3.121 0.405 -1.127 1.00 0.00 H new ATOM 0 HD1 TYR A 101 0.387 -1.350 -2.956 1.00 0.00 H new ATOM 0 HD2 TYR A 101 1.945 2.404 -1.675 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -1.696 -0.251 -3.647 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -0.142 3.504 -2.359 1.00 0.00 H new ATOM 0 HH TYR A 101 -2.793 2.426 -2.645 1.00 0.00 H new ATOM 1251 N ASN A 102 2.909 -2.704 -3.892 1.00 0.00 N ATOM 1252 CA ASN A 102 2.267 -3.625 -4.822 1.00 0.00 C ATOM 1253 C ASN A 102 1.069 -4.309 -4.171 1.00 0.00 C ATOM 1254 O ASN A 102 1.208 -4.999 -3.162 1.00 0.00 O ATOM 1255 CB ASN A 102 3.268 -4.678 -5.305 1.00 0.00 C ATOM 1256 CG ASN A 102 4.513 -4.057 -5.906 1.00 0.00 C ATOM 1257 OD1 ASN A 102 4.653 -2.834 -5.949 1.00 0.00 O ATOM 1258 ND2 ASN A 102 5.426 -4.898 -6.376 1.00 0.00 N ATOM 0 H ASN A 102 3.409 -3.157 -3.127 1.00 0.00 H new ATOM 0 HA ASN A 102 1.914 -3.049 -5.678 1.00 0.00 H new ATOM 0 HB2 ASN A 102 3.551 -5.317 -4.469 1.00 0.00 H new ATOM 0 HB3 ASN A 102 2.789 -5.317 -6.047 1.00 0.00 H new ATOM 0 HD21 ASN A 102 6.284 -4.538 -6.793 1.00 0.00 H new ATOM 0 HD22 ASN A 102 5.269 -5.904 -6.320 1.00 0.00 H new ATOM 1265 N LYS A 103 -0.109 -4.110 -4.755 1.00 0.00 N ATOM 1266 CA LYS A 103 -1.333 -4.708 -4.229 1.00 0.00 C ATOM 1267 C LYS A 103 -1.336 -6.218 -4.442 1.00 0.00 C ATOM 1268 O LYS A 103 -0.805 -6.716 -5.435 1.00 0.00 O ATOM 1269 CB LYS A 103 -2.558 -4.083 -4.901 1.00 0.00 C ATOM 1270 CG LYS A 103 -3.707 -3.817 -3.941 1.00 0.00 C ATOM 1271 CD LYS A 103 -5.020 -3.633 -4.683 1.00 0.00 C ATOM 1272 CE LYS A 103 -6.177 -3.416 -3.721 1.00 0.00 C ATOM 1273 NZ LYS A 103 -6.244 -4.480 -2.682 1.00 0.00 N ATOM 0 H LYS A 103 -0.242 -3.541 -5.591 1.00 0.00 H new ATOM 0 HA LYS A 103 -1.374 -4.511 -3.158 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -2.265 -3.145 -5.373 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -2.904 -4.745 -5.695 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -3.797 -4.647 -3.240 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -3.492 -2.925 -3.353 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -4.942 -2.781 -5.358 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -5.217 -4.510 -5.299 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -6.070 -2.444 -3.239 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -7.113 -3.394 -4.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -7.170 -4.447 -2.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -6.116 -5.410 -3.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -5.493 -4.327 -1.979 1.00 0.00 H new ATOM 1287 N LEU A 104 -1.936 -6.940 -3.502 1.00 0.00 N ATOM 1288 CA LEU A 104 -2.008 -8.396 -3.585 1.00 0.00 C ATOM 1289 C LEU A 104 -3.398 -8.893 -3.202 1.00 0.00 C ATOM 1290 O LEU A 104 -4.128 -8.226 -2.470 1.00 0.00 O ATOM 1291 CB LEU A 104 -0.957 -9.031 -2.674 1.00 0.00 C ATOM 1292 CG LEU A 104 0.474 -8.999 -3.214 1.00 0.00 C ATOM 1293 CD1 LEU A 104 1.475 -9.195 -2.086 1.00 0.00 C ATOM 1294 CD2 LEU A 104 0.661 -10.061 -4.287 1.00 0.00 C ATOM 0 H LEU A 104 -2.379 -6.542 -2.674 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.809 -8.688 -4.616 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.977 -8.521 -1.711 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.237 -10.068 -2.491 1.00 0.00 H new ATOM 0 HG LEU A 104 0.652 -8.022 -3.663 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.487 -9.169 -2.489 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.357 -8.398 -1.352 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.300 -10.158 -1.607 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.684 -10.025 -4.661 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.464 -11.046 -3.863 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.032 -9.875 -5.108 1.00 0.00 H new TER 1306 LEU A 104 ATOM 1307 N GLU B 121 7.596 -7.741 14.796 1.00 0.00 N ATOM 1308 CA GLU B 121 8.175 -6.437 15.090 1.00 0.00 C ATOM 1309 C GLU B 121 8.144 -5.539 13.856 1.00 0.00 C ATOM 1310 O GLU B 121 9.140 -5.406 13.145 1.00 0.00 O ATOM 1311 CB GLU B 121 9.615 -6.596 15.591 1.00 0.00 C ATOM 1312 CG GLU B 121 9.834 -6.048 16.991 1.00 0.00 C ATOM 1313 CD GLU B 121 11.219 -5.459 17.178 1.00 0.00 C ATOM 1314 OE1 GLU B 121 12.137 -6.210 17.572 1.00 0.00 O ATOM 1315 OE2 GLU B 121 11.387 -4.247 16.927 1.00 0.00 O ATOM 0 HA GLU B 121 7.578 -5.967 15.872 1.00 0.00 H new ATOM 0 HB2 GLU B 121 9.881 -7.653 15.577 1.00 0.00 H new ATOM 0 HB3 GLU B 121 10.289 -6.088 14.901 1.00 0.00 H new ATOM 0 HG2 GLU B 121 9.087 -5.282 17.198 1.00 0.00 H new ATOM 0 HG3 GLU B 121 9.682 -6.846 17.717 1.00 0.00 H new ATOM 1322 N SER B 122 6.991 -4.925 13.608 1.00 0.00 N ATOM 1323 CA SER B 122 6.828 -4.042 12.460 1.00 0.00 C ATOM 1324 C SER B 122 7.228 -2.613 12.813 1.00 0.00 C ATOM 1325 O SER B 122 6.618 -1.980 13.673 1.00 0.00 O ATOM 1326 CB SER B 122 5.379 -4.071 11.970 1.00 0.00 C ATOM 1327 OG SER B 122 4.754 -5.298 12.299 1.00 0.00 O ATOM 0 H SER B 122 6.157 -5.023 14.187 1.00 0.00 H new ATOM 0 HA SER B 122 7.481 -4.398 11.663 1.00 0.00 H new ATOM 0 HB2 SER B 122 4.824 -3.246 12.416 1.00 0.00 H new ATOM 0 HB3 SER B 122 5.354 -3.925 10.890 1.00 0.00 H new ATOM 0 HG SER B 122 3.833 -5.129 12.587 1.00 0.00 H new ATOM 1333 N VAL B 123 8.261 -2.111 12.140 1.00 0.00 N ATOM 1334 CA VAL B 123 8.743 -0.757 12.380 1.00 0.00 C ATOM 1335 C VAL B 123 7.752 0.279 11.858 1.00 0.00 C ATOM 1336 O VAL B 123 7.542 0.395 10.650 1.00 0.00 O ATOM 1337 CB VAL B 123 10.113 -0.521 11.718 1.00 0.00 C ATOM 1338 CG1 VAL B 123 10.672 0.839 12.110 1.00 0.00 C ATOM 1339 CG2 VAL B 123 11.086 -1.630 12.089 1.00 0.00 C ATOM 0 H VAL B 123 8.779 -2.623 11.425 1.00 0.00 H new ATOM 0 HA VAL B 123 8.847 -0.645 13.459 1.00 0.00 H new ATOM 0 HB VAL B 123 9.977 -0.534 10.637 1.00 0.00 H new ATOM 0 HG11 VAL B 123 11.640 0.986 11.632 1.00 0.00 H new ATOM 0 HG12 VAL B 123 9.985 1.621 11.787 1.00 0.00 H new ATOM 0 HG13 VAL B 123 10.791 0.885 13.192 1.00 0.00 H new ATOM 0 HG21 VAL B 123 12.048 -1.445 11.611 1.00 0.00 H new ATOM 0 HG22 VAL B 123 11.216 -1.653 13.171 1.00 0.00 H new ATOM 0 HG23 VAL B 123 10.692 -2.588 11.751 1.00 0.00 H new ATOM 1349 N LYS B 124 7.146 1.026 12.774 1.00 0.00 N ATOM 1350 CA LYS B 124 6.178 2.053 12.404 1.00 0.00 C ATOM 1351 C LYS B 124 6.876 3.371 12.087 1.00 0.00 C ATOM 1352 O LYS B 124 7.698 3.853 12.867 1.00 0.00 O ATOM 1353 CB LYS B 124 5.165 2.257 13.532 1.00 0.00 C ATOM 1354 CG LYS B 124 3.837 2.825 13.058 1.00 0.00 C ATOM 1355 CD LYS B 124 3.881 4.344 12.975 1.00 0.00 C ATOM 1356 CE LYS B 124 3.995 4.974 14.353 1.00 0.00 C ATOM 1357 NZ LYS B 124 3.196 6.225 14.460 1.00 0.00 N ATOM 0 H LYS B 124 7.307 0.940 13.777 1.00 0.00 H new ATOM 0 HA LYS B 124 5.654 1.717 11.509 1.00 0.00 H new ATOM 0 HB2 LYS B 124 4.987 1.302 14.027 1.00 0.00 H new ATOM 0 HB3 LYS B 124 5.593 2.928 14.277 1.00 0.00 H new ATOM 0 HG2 LYS B 124 3.592 2.413 12.079 1.00 0.00 H new ATOM 0 HG3 LYS B 124 3.044 2.519 13.741 1.00 0.00 H new ATOM 0 HD2 LYS B 124 4.728 4.652 12.362 1.00 0.00 H new ATOM 0 HD3 LYS B 124 2.981 4.709 12.480 1.00 0.00 H new ATOM 0 HE2 LYS B 124 3.657 4.262 15.106 1.00 0.00 H new ATOM 0 HE3 LYS B 124 5.041 5.192 14.567 1.00 0.00 H new ATOM 0 HZ1 LYS B 124 3.301 6.623 15.415 1.00 0.00 H new ATOM 0 HZ2 LYS B 124 3.534 6.914 13.758 1.00 0.00 H new ATOM 0 HZ3 LYS B 124 2.194 6.013 14.281 1.00 0.00 H new ATOM 1371 N ILE B 125 6.544 3.949 10.937 1.00 0.00 N ATOM 1372 CA ILE B 125 7.138 5.211 10.517 1.00 0.00 C ATOM 1373 C ILE B 125 6.084 6.150 9.940 1.00 0.00 C ATOM 1374 O ILE B 125 6.471 7.164 9.322 1.00 0.00 O ATOM 1375 CB ILE B 125 8.242 4.990 9.467 1.00 0.00 C ATOM 1376 CG1 ILE B 125 7.692 4.205 8.274 1.00 0.00 C ATOM 1377 CG2 ILE B 125 9.425 4.263 10.087 1.00 0.00 C ATOM 1378 CD1 ILE B 125 6.938 5.063 7.281 1.00 0.00 C ATOM 1379 OXT ILE B 125 4.881 5.863 10.110 1.00 0.00 O ATOM 0 H ILE B 125 5.866 3.562 10.280 1.00 0.00 H new ATOM 0 HA ILE B 125 7.577 5.665 11.405 1.00 0.00 H new ATOM 0 HB ILE B 125 8.584 5.962 9.111 1.00 0.00 H new ATOM 0 HG12 ILE B 125 8.518 3.712 7.762 1.00 0.00 H new ATOM 0 HG13 ILE B 125 7.030 3.420 8.640 1.00 0.00 H new ATOM 0 HG21 ILE B 125 10.197 4.114 9.332 1.00 0.00 H new ATOM 0 HG22 ILE B 125 9.829 4.858 10.906 1.00 0.00 H new ATOM 0 HG23 ILE B 125 9.098 3.295 10.468 1.00 0.00 H new ATOM 0 HD11 ILE B 125 6.577 4.440 6.462 1.00 0.00 H new ATOM 0 HD12 ILE B 125 6.091 5.536 7.778 1.00 0.00 H new ATOM 0 HD13 ILE B 125 7.602 5.832 6.886 1.00 0.00 H new TER 1391 ILE B 125