USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 703 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 8 SER OG : rot -13:sc= 0.123! USER MOD Set 1.2: A 10 GLN : amide:sc= -0.014 K(o=0.11,f=-1.3) USER MOD Single : A 1 GLY N :NH3+ -127:sc= 0.0797 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc=-0.00106 USER MOD Single : A 5 SER OG : rot 19:sc= 0.272 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0391 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -3.97! C(o=-4!,f=-5.9!) USER MOD Single : A 29 ASN : amide:sc= 0.0556 K(o=0.056,f=-1.8!) USER MOD Single : A 30 SER OG : rot 180:sc= -0.802 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 165:sc=-0.00392 (180deg=-0.0696) USER MOD Single : A 46 CYS SG : rot -34:sc= -2.68! USER MOD Single : A 50 HIS :FLIP no HD1:sc= -0.214 F(o=-1.8,f=-0.21) USER MOD Single : A 52 HIS : no HE2:sc= -0.955 K(o=-0.96,f=-3.5!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0.00317 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -123:sc= -0.0952 (180deg=-0.646) USER MOD Single : A 78 GLN : amide:sc= 0.0135 K(o=0.013,f=-0.64) USER MOD Single : A 81 HIS : no HD1:sc= -0.0407 X(o=-0.041,f=-0.19) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN :FLIP amide:sc= -1 F(o=-2.3!,f=-1) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 33:sc= 0.346 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -37.725 19.815 7.432 1.00 0.00 N ATOM 2 CA GLY A 1 -36.410 19.698 8.036 1.00 0.00 C ATOM 3 C GLY A 1 -35.292 19.937 7.041 1.00 0.00 C ATOM 4 O GLY A 1 -35.544 20.187 5.862 1.00 0.00 O ATOM 0 H1 GLY A 1 -38.300 20.487 7.980 1.00 0.00 H new ATOM 0 H2 GLY A 1 -37.629 20.158 6.455 1.00 0.00 H new ATOM 0 H3 GLY A 1 -38.189 18.884 7.428 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -36.324 20.414 8.853 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -36.300 18.704 8.470 1.00 0.00 H new ATOM 8 N SER A 2 -34.053 19.859 7.515 1.00 0.00 N ATOM 9 CA SER A 2 -32.892 20.075 6.661 1.00 0.00 C ATOM 10 C SER A 2 -31.599 19.789 7.418 1.00 0.00 C ATOM 11 O SER A 2 -31.489 20.075 8.609 1.00 0.00 O ATOM 12 CB SER A 2 -32.880 21.511 6.133 1.00 0.00 C ATOM 13 OG SER A 2 -31.833 21.702 5.197 1.00 0.00 O ATOM 0 H SER A 2 -33.827 19.648 8.487 1.00 0.00 H new ATOM 0 HA SER A 2 -32.959 19.386 5.819 1.00 0.00 H new ATOM 0 HB2 SER A 2 -33.837 21.737 5.663 1.00 0.00 H new ATOM 0 HB3 SER A 2 -32.760 22.206 6.964 1.00 0.00 H new ATOM 0 HG SER A 2 -31.848 22.627 4.873 1.00 0.00 H new ATOM 19 N SER A 3 -30.623 19.222 6.715 1.00 0.00 N ATOM 20 CA SER A 3 -29.337 18.893 7.321 1.00 0.00 C ATOM 21 C SER A 3 -28.206 19.040 6.309 1.00 0.00 C ATOM 22 O SER A 3 -28.430 19.004 5.100 1.00 0.00 O ATOM 23 CB SER A 3 -29.360 17.466 7.873 1.00 0.00 C ATOM 24 OG SER A 3 -30.405 17.300 8.815 1.00 0.00 O ATOM 0 H SER A 3 -30.698 18.981 5.727 1.00 0.00 H new ATOM 0 HA SER A 3 -29.161 19.590 8.140 1.00 0.00 H new ATOM 0 HB2 SER A 3 -29.489 16.758 7.054 1.00 0.00 H new ATOM 0 HB3 SER A 3 -28.403 17.239 8.343 1.00 0.00 H new ATOM 0 HG SER A 3 -30.399 16.380 9.151 1.00 0.00 H new ATOM 30 N GLY A 4 -26.987 19.208 6.813 1.00 0.00 N ATOM 31 CA GLY A 4 -25.838 19.360 5.940 1.00 0.00 C ATOM 32 C GLY A 4 -24.562 19.654 6.706 1.00 0.00 C ATOM 33 O GLY A 4 -24.468 20.662 7.405 1.00 0.00 O ATOM 0 H GLY A 4 -26.775 19.242 7.810 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -25.706 18.449 5.356 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -26.027 20.167 5.232 1.00 0.00 H new ATOM 37 N SER A 5 -23.579 18.769 6.575 1.00 0.00 N ATOM 38 CA SER A 5 -22.305 18.936 7.265 1.00 0.00 C ATOM 39 C SER A 5 -21.168 18.304 6.467 1.00 0.00 C ATOM 40 O SER A 5 -21.402 17.573 5.505 1.00 0.00 O ATOM 41 CB SER A 5 -22.372 18.312 8.660 1.00 0.00 C ATOM 42 OG SER A 5 -22.991 19.192 9.584 1.00 0.00 O ATOM 0 H SER A 5 -23.640 17.930 5.998 1.00 0.00 H new ATOM 0 HA SER A 5 -22.109 20.004 7.361 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.928 17.376 8.616 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.366 18.070 9.002 1.00 0.00 H new ATOM 0 HG SER A 5 -23.504 19.870 9.097 1.00 0.00 H new ATOM 48 N SER A 6 -19.936 18.592 6.875 1.00 0.00 N ATOM 49 CA SER A 6 -18.762 18.055 6.197 1.00 0.00 C ATOM 50 C SER A 6 -17.615 17.844 7.181 1.00 0.00 C ATOM 51 O SER A 6 -17.724 18.179 8.360 1.00 0.00 O ATOM 52 CB SER A 6 -18.319 18.998 5.076 1.00 0.00 C ATOM 53 OG SER A 6 -17.381 18.368 4.221 1.00 0.00 O ATOM 0 H SER A 6 -19.725 19.194 7.671 1.00 0.00 H new ATOM 0 HA SER A 6 -19.031 17.090 5.767 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.187 19.314 4.498 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.877 19.897 5.506 1.00 0.00 H new ATOM 0 HG SER A 6 -17.115 18.990 3.512 1.00 0.00 H new ATOM 59 N GLY A 7 -16.515 17.284 6.687 1.00 0.00 N ATOM 60 CA GLY A 7 -15.364 17.037 7.534 1.00 0.00 C ATOM 61 C GLY A 7 -14.682 15.721 7.217 1.00 0.00 C ATOM 62 O GLY A 7 -15.020 14.685 7.792 1.00 0.00 O ATOM 0 H GLY A 7 -16.401 16.997 5.715 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.649 17.851 7.416 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.678 17.038 8.578 1.00 0.00 H new ATOM 66 N SER A 8 -13.722 15.759 6.300 1.00 0.00 N ATOM 67 CA SER A 8 -12.995 14.558 5.903 1.00 0.00 C ATOM 68 C SER A 8 -12.035 14.117 7.003 1.00 0.00 C ATOM 69 O SER A 8 -11.535 12.991 6.991 1.00 0.00 O ATOM 70 CB SER A 8 -12.223 14.809 4.606 1.00 0.00 C ATOM 71 OG SER A 8 -11.365 13.722 4.306 1.00 0.00 O ATOM 0 H SER A 8 -13.429 16.608 5.817 1.00 0.00 H new ATOM 0 HA SER A 8 -13.720 13.762 5.737 1.00 0.00 H new ATOM 0 HB2 SER A 8 -12.924 14.961 3.785 1.00 0.00 H new ATOM 0 HB3 SER A 8 -11.638 15.724 4.698 1.00 0.00 H new ATOM 0 HG SER A 8 -11.289 13.139 5.090 1.00 0.00 H new ATOM 77 N ILE A 9 -11.779 15.012 7.951 1.00 0.00 N ATOM 78 CA ILE A 9 -10.879 14.715 9.059 1.00 0.00 C ATOM 79 C ILE A 9 -9.458 14.474 8.562 1.00 0.00 C ATOM 80 O ILE A 9 -8.834 13.469 8.904 1.00 0.00 O ATOM 81 CB ILE A 9 -11.351 13.482 9.852 1.00 0.00 C ATOM 82 CG1 ILE A 9 -12.867 13.526 10.052 1.00 0.00 C ATOM 83 CG2 ILE A 9 -10.637 13.411 11.194 1.00 0.00 C ATOM 84 CD1 ILE A 9 -13.476 12.174 10.352 1.00 0.00 C ATOM 0 H ILE A 9 -12.182 15.949 7.974 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.889 15.584 9.716 1.00 0.00 H new ATOM 0 HB ILE A 9 -11.105 12.586 9.282 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.098 14.209 10.869 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.332 13.934 9.155 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.981 12.534 11.743 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.562 13.338 11.031 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.856 14.310 11.771 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -14.553 12.281 10.482 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -13.276 11.493 9.525 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -13.038 11.773 11.266 1.00 0.00 H new ATOM 96 N GLN A 10 -8.953 15.402 7.757 1.00 0.00 N ATOM 97 CA GLN A 10 -7.604 15.290 7.215 1.00 0.00 C ATOM 98 C GLN A 10 -6.760 16.500 7.601 1.00 0.00 C ATOM 99 O GLN A 10 -7.290 17.553 7.955 1.00 0.00 O ATOM 100 CB GLN A 10 -7.653 15.154 5.692 1.00 0.00 C ATOM 101 CG GLN A 10 -8.262 16.358 4.992 1.00 0.00 C ATOM 102 CD GLN A 10 -8.553 16.097 3.528 1.00 0.00 C ATOM 103 OE1 GLN A 10 -8.528 14.954 3.072 1.00 0.00 O ATOM 104 NE2 GLN A 10 -8.835 17.159 2.782 1.00 0.00 N ATOM 0 H GLN A 10 -9.457 16.240 7.466 1.00 0.00 H new ATOM 0 HA GLN A 10 -7.143 14.398 7.638 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -6.641 15.000 5.317 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -8.228 14.265 5.433 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -9.186 16.638 5.498 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -7.582 17.206 5.078 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -8.845 18.089 3.201 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -9.042 17.045 1.790 1.00 0.00 H new ATOM 113 N LYS A 11 -5.442 16.342 7.533 1.00 0.00 N ATOM 114 CA LYS A 11 -4.523 17.421 7.875 1.00 0.00 C ATOM 115 C LYS A 11 -3.123 17.133 7.343 1.00 0.00 C ATOM 116 O LYS A 11 -2.791 15.988 7.032 1.00 0.00 O ATOM 117 CB LYS A 11 -4.473 17.616 9.392 1.00 0.00 C ATOM 118 CG LYS A 11 -5.545 18.553 9.920 1.00 0.00 C ATOM 119 CD LYS A 11 -5.134 19.181 11.242 1.00 0.00 C ATOM 120 CE LYS A 11 -6.289 19.933 11.885 1.00 0.00 C ATOM 121 NZ LYS A 11 -6.070 20.147 13.342 1.00 0.00 N ATOM 0 H LYS A 11 -4.986 15.476 7.244 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.889 18.336 7.409 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.578 16.646 9.878 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.493 18.006 9.668 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.737 19.337 9.188 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.477 18.004 10.051 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.781 18.404 11.921 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.300 19.864 11.078 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.414 20.897 11.391 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.214 19.375 11.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.879 20.663 13.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.976 19.227 13.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.202 20.701 13.485 1.00 0.00 H new ATOM 135 N ASP A 12 -2.307 18.176 7.242 1.00 0.00 N ATOM 136 CA ASP A 12 -0.942 18.033 6.750 1.00 0.00 C ATOM 137 C ASP A 12 0.049 18.706 7.694 1.00 0.00 C ATOM 138 O ASP A 12 0.029 19.925 7.867 1.00 0.00 O ATOM 139 CB ASP A 12 -0.817 18.634 5.348 1.00 0.00 C ATOM 140 CG ASP A 12 -2.057 18.405 4.507 1.00 0.00 C ATOM 141 OD1 ASP A 12 -2.162 17.329 3.883 1.00 0.00 O ATOM 142 OD2 ASP A 12 -2.925 19.304 4.473 1.00 0.00 O ATOM 0 H ASP A 12 -2.567 19.130 7.494 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.708 16.969 6.704 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.630 19.705 5.430 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.046 18.198 4.844 1.00 0.00 H new ATOM 147 N LEU A 13 0.914 17.903 8.304 1.00 0.00 N ATOM 148 CA LEU A 13 1.914 18.420 9.233 1.00 0.00 C ATOM 149 C LEU A 13 3.288 17.826 8.941 1.00 0.00 C ATOM 150 O LEU A 13 4.272 18.159 9.600 1.00 0.00 O ATOM 151 CB LEU A 13 1.507 18.108 10.675 1.00 0.00 C ATOM 152 CG LEU A 13 2.048 16.803 11.258 1.00 0.00 C ATOM 153 CD1 LEU A 13 1.929 16.804 12.774 1.00 0.00 C ATOM 154 CD2 LEU A 13 1.314 15.609 10.664 1.00 0.00 C ATOM 0 H LEU A 13 0.943 16.892 8.172 1.00 0.00 H new ATOM 0 HA LEU A 13 1.971 19.501 9.103 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.836 18.930 11.310 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.419 18.082 10.726 1.00 0.00 H new ATOM 0 HG LEU A 13 3.103 16.722 10.998 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.319 15.867 13.170 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.501 17.637 13.183 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.882 16.909 13.057 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.712 14.688 11.090 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.251 15.685 10.893 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.453 15.598 9.583 1.00 0.00 H new ATOM 166 N ALA A 14 3.348 16.946 7.947 1.00 0.00 N ATOM 167 CA ALA A 14 4.601 16.310 7.564 1.00 0.00 C ATOM 168 C ALA A 14 4.581 15.896 6.096 1.00 0.00 C ATOM 169 O ALA A 14 3.524 15.602 5.539 1.00 0.00 O ATOM 170 CB ALA A 14 4.873 15.103 8.451 1.00 0.00 C ATOM 0 H ALA A 14 2.542 16.658 7.392 1.00 0.00 H new ATOM 0 HA ALA A 14 5.404 17.035 7.699 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.813 14.637 8.154 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.940 15.423 9.491 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.062 14.383 8.345 1.00 0.00 H new ATOM 176 N ASN A 15 5.756 15.876 5.476 1.00 0.00 N ATOM 177 CA ASN A 15 5.873 15.500 4.071 1.00 0.00 C ATOM 178 C ASN A 15 5.285 14.113 3.830 1.00 0.00 C ATOM 179 O ASN A 15 4.501 13.914 2.901 1.00 0.00 O ATOM 180 CB ASN A 15 7.339 15.527 3.635 1.00 0.00 C ATOM 181 CG ASN A 15 7.527 15.046 2.209 1.00 0.00 C ATOM 182 OD1 ASN A 15 7.306 15.792 1.256 1.00 0.00 O ATOM 183 ND2 ASN A 15 7.936 13.792 2.058 1.00 0.00 N ATOM 0 H ASN A 15 6.641 16.116 5.924 1.00 0.00 H new ATOM 0 HA ASN A 15 5.311 16.222 3.479 1.00 0.00 H new ATOM 0 HB2 ASN A 15 7.724 16.543 3.727 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.927 14.902 4.307 1.00 0.00 H new ATOM 0 HD21 ASN A 15 8.079 13.411 1.123 1.00 0.00 H new ATOM 0 HD22 ASN A 15 8.107 13.209 2.877 1.00 0.00 H new ATOM 190 N ILE A 16 5.669 13.158 4.671 1.00 0.00 N ATOM 191 CA ILE A 16 5.178 11.791 4.549 1.00 0.00 C ATOM 192 C ILE A 16 3.717 11.769 4.116 1.00 0.00 C ATOM 193 O ILE A 16 2.926 12.622 4.516 1.00 0.00 O ATOM 194 CB ILE A 16 5.320 11.022 5.877 1.00 0.00 C ATOM 195 CG1 ILE A 16 6.795 10.903 6.266 1.00 0.00 C ATOM 196 CG2 ILE A 16 4.685 9.645 5.760 1.00 0.00 C ATOM 197 CD1 ILE A 16 7.658 10.289 5.186 1.00 0.00 C ATOM 0 H ILE A 16 6.318 13.306 5.444 1.00 0.00 H new ATOM 0 HA ILE A 16 5.787 11.303 3.788 1.00 0.00 H new ATOM 0 HB ILE A 16 4.801 11.575 6.659 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.180 11.894 6.507 1.00 0.00 H new ATOM 0 HG13 ILE A 16 6.876 10.301 7.171 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.793 9.113 6.705 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.627 9.751 5.522 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.180 9.082 4.969 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.690 10.236 5.531 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.299 9.285 4.960 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.607 10.903 4.287 1.00 0.00 H new ATOM 209 N ALA A 17 3.364 10.784 3.295 1.00 0.00 N ATOM 210 CA ALA A 17 1.996 10.647 2.810 1.00 0.00 C ATOM 211 C ALA A 17 1.403 9.300 3.212 1.00 0.00 C ATOM 212 O ALA A 17 1.830 8.254 2.723 1.00 0.00 O ATOM 213 CB ALA A 17 1.952 10.816 1.300 1.00 0.00 C ATOM 0 H ALA A 17 4.007 10.070 2.952 1.00 0.00 H new ATOM 0 HA ALA A 17 1.394 11.431 3.269 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.924 10.711 0.952 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.326 11.804 1.033 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.574 10.054 0.830 1.00 0.00 H new ATOM 219 N GLU A 18 0.419 9.334 4.105 1.00 0.00 N ATOM 220 CA GLU A 18 -0.230 8.115 4.572 1.00 0.00 C ATOM 221 C GLU A 18 -1.392 7.733 3.659 1.00 0.00 C ATOM 222 O GLU A 18 -2.390 8.448 3.574 1.00 0.00 O ATOM 223 CB GLU A 18 -0.732 8.295 6.006 1.00 0.00 C ATOM 224 CG GLU A 18 -0.934 6.985 6.750 1.00 0.00 C ATOM 225 CD GLU A 18 -1.503 7.186 8.141 1.00 0.00 C ATOM 226 OE1 GLU A 18 -0.911 7.964 8.917 1.00 0.00 O ATOM 227 OE2 GLU A 18 -2.541 6.564 8.453 1.00 0.00 O ATOM 0 H GLU A 18 0.054 10.192 4.519 1.00 0.00 H new ATOM 0 HA GLU A 18 0.506 7.311 4.551 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.020 8.910 6.557 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.675 8.841 5.986 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.604 6.345 6.176 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.020 6.462 6.824 1.00 0.00 H new ATOM 234 N VAL A 19 -1.254 6.600 2.978 1.00 0.00 N ATOM 235 CA VAL A 19 -2.291 6.121 2.072 1.00 0.00 C ATOM 236 C VAL A 19 -2.672 4.679 2.385 1.00 0.00 C ATOM 237 O VAL A 19 -1.817 3.796 2.423 1.00 0.00 O ATOM 238 CB VAL A 19 -1.838 6.213 0.602 1.00 0.00 C ATOM 239 CG1 VAL A 19 -2.920 5.680 -0.324 1.00 0.00 C ATOM 240 CG2 VAL A 19 -1.478 7.648 0.245 1.00 0.00 C ATOM 0 H VAL A 19 -0.434 5.996 3.037 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.160 6.763 2.218 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.948 5.597 0.474 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.582 5.753 -1.358 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.125 4.637 -0.082 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.829 6.267 -0.197 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.160 7.695 -0.797 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.349 8.288 0.388 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.667 7.990 0.888 1.00 0.00 H new ATOM 250 N GLU A 20 -3.962 4.449 2.609 1.00 0.00 N ATOM 251 CA GLU A 20 -4.456 3.113 2.921 1.00 0.00 C ATOM 252 C GLU A 20 -5.116 2.479 1.699 1.00 0.00 C ATOM 253 O GLU A 20 -5.538 3.175 0.775 1.00 0.00 O ATOM 254 CB GLU A 20 -5.453 3.171 4.080 1.00 0.00 C ATOM 255 CG GLU A 20 -4.892 3.821 5.333 1.00 0.00 C ATOM 256 CD GLU A 20 -4.864 5.335 5.242 1.00 0.00 C ATOM 257 OE1 GLU A 20 -5.847 5.918 4.740 1.00 0.00 O ATOM 258 OE2 GLU A 20 -3.858 5.936 5.674 1.00 0.00 O ATOM 0 H GLU A 20 -4.683 5.170 2.580 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.605 2.498 3.214 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.338 3.722 3.760 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.777 2.158 4.320 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.493 3.523 6.192 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.881 3.452 5.508 1.00 0.00 H new ATOM 265 N VAL A 21 -5.201 1.152 1.701 1.00 0.00 N ATOM 266 CA VAL A 21 -5.809 0.423 0.594 1.00 0.00 C ATOM 267 C VAL A 21 -6.752 -0.662 1.104 1.00 0.00 C ATOM 268 O VAL A 21 -6.619 -1.133 2.233 1.00 0.00 O ATOM 269 CB VAL A 21 -4.740 -0.222 -0.307 1.00 0.00 C ATOM 270 CG1 VAL A 21 -3.950 -1.266 0.466 1.00 0.00 C ATOM 271 CG2 VAL A 21 -5.385 -0.836 -1.540 1.00 0.00 C ATOM 0 H VAL A 21 -4.856 0.560 2.457 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.376 1.148 0.010 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.048 0.554 -0.634 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.199 -1.711 -0.187 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.458 -0.794 1.316 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.626 -2.043 0.824 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.616 -1.288 -2.166 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.099 -1.601 -1.234 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.903 -0.060 -2.104 1.00 0.00 H new ATOM 281 N SER A 22 -7.704 -1.052 0.262 1.00 0.00 N ATOM 282 CA SER A 22 -8.673 -2.079 0.628 1.00 0.00 C ATOM 283 C SER A 22 -8.273 -3.434 0.049 1.00 0.00 C ATOM 284 O SER A 22 -8.367 -3.656 -1.158 1.00 0.00 O ATOM 285 CB SER A 22 -10.068 -1.694 0.135 1.00 0.00 C ATOM 286 OG SER A 22 -11.031 -2.657 0.523 1.00 0.00 O ATOM 0 H SER A 22 -7.825 -0.673 -0.677 1.00 0.00 H new ATOM 0 HA SER A 22 -8.689 -2.157 1.715 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.342 -0.719 0.537 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.060 -1.601 -0.951 1.00 0.00 H new ATOM 0 HG SER A 22 -11.914 -2.386 0.197 1.00 0.00 H new ATOM 292 N ILE A 23 -7.826 -4.333 0.919 1.00 0.00 N ATOM 293 CA ILE A 23 -7.412 -5.665 0.494 1.00 0.00 C ATOM 294 C ILE A 23 -7.722 -6.704 1.567 1.00 0.00 C ATOM 295 O ILE A 23 -7.528 -6.476 2.762 1.00 0.00 O ATOM 296 CB ILE A 23 -5.908 -5.711 0.171 1.00 0.00 C ATOM 297 CG1 ILE A 23 -5.579 -4.743 -0.967 1.00 0.00 C ATOM 298 CG2 ILE A 23 -5.488 -7.128 -0.194 1.00 0.00 C ATOM 299 CD1 ILE A 23 -4.095 -4.551 -1.189 1.00 0.00 C ATOM 0 H ILE A 23 -7.741 -4.164 1.921 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.976 -5.898 -0.409 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.351 -5.404 1.057 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.031 -5.111 -1.888 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.034 -3.776 -0.753 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.422 -7.145 -0.420 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.692 -7.795 0.644 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.049 -7.460 -1.067 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.937 -3.852 -2.011 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.640 -4.153 -0.282 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.637 -5.509 -1.435 1.00 0.00 H new ATOM 311 N PRO A 24 -8.214 -7.874 1.132 1.00 0.00 N ATOM 312 CA PRO A 24 -8.559 -8.973 2.040 1.00 0.00 C ATOM 313 C PRO A 24 -7.326 -9.613 2.670 1.00 0.00 C ATOM 314 O PRO A 24 -6.253 -9.638 2.070 1.00 0.00 O ATOM 315 CB PRO A 24 -9.273 -9.974 1.128 1.00 0.00 C ATOM 316 CG PRO A 24 -8.741 -9.693 -0.234 1.00 0.00 C ATOM 317 CD PRO A 24 -8.470 -8.214 -0.276 1.00 0.00 C ATOM 0 HA PRO A 24 -9.164 -8.633 2.881 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.067 -11.001 1.429 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.354 -9.842 1.165 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.831 -10.262 -0.422 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.461 -9.980 -1.001 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.613 -7.980 -0.908 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.320 -7.661 -0.675 1.00 0.00 H new ATOM 325 N ALA A 25 -7.489 -10.129 3.884 1.00 0.00 N ATOM 326 CA ALA A 25 -6.390 -10.770 4.594 1.00 0.00 C ATOM 327 C ALA A 25 -5.906 -12.011 3.851 1.00 0.00 C ATOM 328 O ALA A 25 -4.704 -12.215 3.679 1.00 0.00 O ATOM 329 CB ALA A 25 -6.816 -11.134 6.009 1.00 0.00 C ATOM 0 H ALA A 25 -8.371 -10.115 4.396 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.562 -10.063 4.646 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.985 -11.612 6.528 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.107 -10.231 6.545 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.662 -11.820 5.969 1.00 0.00 H new ATOM 335 N LYS A 26 -6.849 -12.838 3.413 1.00 0.00 N ATOM 336 CA LYS A 26 -6.519 -14.059 2.686 1.00 0.00 C ATOM 337 C LYS A 26 -5.371 -13.820 1.713 1.00 0.00 C ATOM 338 O LYS A 26 -4.520 -14.689 1.514 1.00 0.00 O ATOM 339 CB LYS A 26 -7.746 -14.573 1.928 1.00 0.00 C ATOM 340 CG LYS A 26 -8.056 -13.784 0.668 1.00 0.00 C ATOM 341 CD LYS A 26 -9.491 -13.998 0.216 1.00 0.00 C ATOM 342 CE LYS A 26 -9.767 -13.305 -1.110 1.00 0.00 C ATOM 343 NZ LYS A 26 -11.207 -13.374 -1.483 1.00 0.00 N ATOM 0 H LYS A 26 -7.848 -12.685 3.549 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.206 -14.810 3.411 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.587 -15.618 1.662 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.612 -14.540 2.590 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.885 -12.723 0.851 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.374 -14.084 -0.128 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.687 -15.066 0.118 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.174 -13.617 0.976 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.458 -12.262 -1.046 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.166 -13.767 -1.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.354 -12.891 -2.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.496 -14.369 -1.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.779 -12.910 -0.748 1.00 0.00 H new ATOM 357 N LEU A 27 -5.349 -12.636 1.109 1.00 0.00 N ATOM 358 CA LEU A 27 -4.303 -12.282 0.156 1.00 0.00 C ATOM 359 C LEU A 27 -3.060 -11.771 0.878 1.00 0.00 C ATOM 360 O LEU A 27 -1.935 -12.140 0.536 1.00 0.00 O ATOM 361 CB LEU A 27 -4.813 -11.220 -0.819 1.00 0.00 C ATOM 362 CG LEU A 27 -5.979 -11.637 -1.716 1.00 0.00 C ATOM 363 CD1 LEU A 27 -6.346 -10.511 -2.671 1.00 0.00 C ATOM 364 CD2 LEU A 27 -5.633 -12.902 -2.487 1.00 0.00 C ATOM 0 H LEU A 27 -6.044 -11.905 1.263 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.034 -13.179 -0.402 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.117 -10.345 -0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.984 -10.911 -1.455 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.842 -11.846 -1.084 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.178 -10.825 -3.302 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.637 -9.630 -2.100 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.487 -10.270 -3.297 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.474 -13.184 -3.120 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.756 -12.721 -3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.420 -13.709 -1.786 1.00 0.00 H new ATOM 376 N HIS A 28 -3.270 -10.923 1.879 1.00 0.00 N ATOM 377 CA HIS A 28 -2.166 -10.364 2.652 1.00 0.00 C ATOM 378 C HIS A 28 -1.041 -11.383 2.807 1.00 0.00 C ATOM 379 O HIS A 28 0.020 -11.247 2.198 1.00 0.00 O ATOM 380 CB HIS A 28 -2.655 -9.915 4.029 1.00 0.00 C ATOM 381 CG HIS A 28 -3.578 -8.736 3.981 1.00 0.00 C ATOM 382 ND1 HIS A 28 -3.939 -8.017 5.101 1.00 0.00 N ATOM 383 CD2 HIS A 28 -4.213 -8.150 2.939 1.00 0.00 C ATOM 384 CE1 HIS A 28 -4.758 -7.040 4.750 1.00 0.00 C ATOM 385 NE2 HIS A 28 -4.939 -7.099 3.443 1.00 0.00 N ATOM 0 H HIS A 28 -4.194 -10.608 2.174 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.779 -9.500 2.113 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -3.166 -10.747 4.513 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.793 -9.667 4.648 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -4.159 -8.453 1.904 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -5.203 -6.317 5.418 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -5.523 -6.466 2.897 1.00 0.00 H new ATOM 393 N ASN A 29 -1.279 -12.402 3.626 1.00 0.00 N ATOM 394 CA ASN A 29 -0.285 -13.443 3.862 1.00 0.00 C ATOM 395 C ASN A 29 0.518 -13.723 2.596 1.00 0.00 C ATOM 396 O ASN A 29 1.749 -13.758 2.624 1.00 0.00 O ATOM 397 CB ASN A 29 -0.964 -14.726 4.343 1.00 0.00 C ATOM 398 CG ASN A 29 -1.521 -14.593 5.749 1.00 0.00 C ATOM 399 OD1 ASN A 29 -2.442 -13.813 5.993 1.00 0.00 O ATOM 400 ND2 ASN A 29 -0.962 -15.357 6.680 1.00 0.00 N ATOM 0 H ASN A 29 -2.152 -12.529 4.138 1.00 0.00 H new ATOM 0 HA ASN A 29 0.398 -13.091 4.635 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.771 -14.985 3.658 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -0.247 -15.546 4.315 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.294 -15.312 7.644 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.201 -15.989 6.432 1.00 0.00 H new ATOM 407 N SER A 30 -0.185 -13.923 1.487 1.00 0.00 N ATOM 408 CA SER A 30 0.461 -14.205 0.210 1.00 0.00 C ATOM 409 C SER A 30 1.356 -13.044 -0.213 1.00 0.00 C ATOM 410 O SER A 30 2.571 -13.198 -0.349 1.00 0.00 O ATOM 411 CB SER A 30 -0.588 -14.475 -0.870 1.00 0.00 C ATOM 412 OG SER A 30 -0.087 -15.358 -1.857 1.00 0.00 O ATOM 0 H SER A 30 -1.204 -13.895 1.446 1.00 0.00 H new ATOM 0 HA SER A 30 1.080 -15.094 0.333 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.481 -14.902 -0.415 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.886 -13.535 -1.335 1.00 0.00 H new ATOM 0 HG SER A 30 -0.777 -15.516 -2.535 1.00 0.00 H new ATOM 418 N LEU A 31 0.747 -11.881 -0.419 1.00 0.00 N ATOM 419 CA LEU A 31 1.487 -10.692 -0.827 1.00 0.00 C ATOM 420 C LEU A 31 2.740 -10.511 0.025 1.00 0.00 C ATOM 421 O LEU A 31 3.844 -10.367 -0.501 1.00 0.00 O ATOM 422 CB LEU A 31 0.599 -9.452 -0.716 1.00 0.00 C ATOM 423 CG LEU A 31 -0.206 -9.088 -1.965 1.00 0.00 C ATOM 424 CD1 LEU A 31 -1.506 -8.400 -1.581 1.00 0.00 C ATOM 425 CD2 LEU A 31 0.616 -8.204 -2.891 1.00 0.00 C ATOM 0 H LEU A 31 -0.257 -11.736 -0.310 1.00 0.00 H new ATOM 0 HA LEU A 31 1.791 -10.822 -1.865 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.097 -9.601 0.110 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.228 -8.602 -0.453 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.450 -10.008 -2.497 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.065 -8.149 -2.483 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.102 -9.069 -0.959 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.285 -7.489 -1.025 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.027 -7.955 -3.774 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.892 -7.288 -2.369 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.518 -8.735 -3.194 1.00 0.00 H new ATOM 437 N ILE A 32 2.561 -10.522 1.341 1.00 0.00 N ATOM 438 CA ILE A 32 3.677 -10.363 2.264 1.00 0.00 C ATOM 439 C ILE A 32 4.799 -11.346 1.946 1.00 0.00 C ATOM 440 O ILE A 32 5.933 -10.946 1.684 1.00 0.00 O ATOM 441 CB ILE A 32 3.233 -10.565 3.726 1.00 0.00 C ATOM 442 CG1 ILE A 32 2.094 -9.603 4.073 1.00 0.00 C ATOM 443 CG2 ILE A 32 4.409 -10.365 4.669 1.00 0.00 C ATOM 444 CD1 ILE A 32 1.310 -10.014 5.299 1.00 0.00 C ATOM 0 H ILE A 32 1.654 -10.639 1.792 1.00 0.00 H new ATOM 0 HA ILE A 32 4.044 -9.344 2.141 1.00 0.00 H new ATOM 0 HB ILE A 32 2.869 -11.586 3.843 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.506 -8.607 4.232 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.415 -9.535 3.223 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.079 -10.511 5.698 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.191 -11.086 4.433 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.800 -9.354 4.553 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.519 -9.287 5.486 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.868 -10.997 5.136 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.977 -10.054 6.160 1.00 0.00 H new ATOM 456 N GLY A 33 4.473 -12.635 1.967 1.00 0.00 N ATOM 457 CA GLY A 33 5.464 -13.655 1.677 1.00 0.00 C ATOM 458 C GLY A 33 5.844 -14.459 2.904 1.00 0.00 C ATOM 459 O GLY A 33 5.538 -14.069 4.031 1.00 0.00 O ATOM 0 H GLY A 33 3.541 -12.991 2.180 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.076 -14.327 0.912 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.356 -13.184 1.265 1.00 0.00 H new ATOM 463 N THR A 34 6.514 -15.587 2.687 1.00 0.00 N ATOM 464 CA THR A 34 6.934 -16.450 3.784 1.00 0.00 C ATOM 465 C THR A 34 7.614 -15.646 4.886 1.00 0.00 C ATOM 466 O THR A 34 7.338 -15.840 6.071 1.00 0.00 O ATOM 467 CB THR A 34 7.898 -17.548 3.297 1.00 0.00 C ATOM 468 OG1 THR A 34 8.293 -18.377 4.395 1.00 0.00 O ATOM 469 CG2 THR A 34 9.131 -16.937 2.648 1.00 0.00 C ATOM 0 H THR A 34 6.777 -15.924 1.761 1.00 0.00 H new ATOM 0 HA THR A 34 6.033 -16.917 4.181 1.00 0.00 H new ATOM 0 HB THR A 34 7.378 -18.153 2.555 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.905 -19.073 4.076 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.797 -17.732 2.312 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.830 -16.331 1.794 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.651 -16.310 3.373 1.00 0.00 H new ATOM 477 N LYS A 35 8.503 -14.742 4.491 1.00 0.00 N ATOM 478 CA LYS A 35 9.221 -13.905 5.446 1.00 0.00 C ATOM 479 C LYS A 35 9.158 -12.436 5.038 1.00 0.00 C ATOM 480 O LYS A 35 10.143 -11.709 5.149 1.00 0.00 O ATOM 481 CB LYS A 35 10.680 -14.353 5.551 1.00 0.00 C ATOM 482 CG LYS A 35 11.473 -14.151 4.272 1.00 0.00 C ATOM 483 CD LYS A 35 12.877 -14.721 4.389 1.00 0.00 C ATOM 484 CE LYS A 35 12.873 -16.237 4.272 1.00 0.00 C ATOM 485 NZ LYS A 35 14.207 -16.820 4.590 1.00 0.00 N ATOM 0 H LYS A 35 8.744 -14.570 3.515 1.00 0.00 H new ATOM 0 HA LYS A 35 8.742 -14.015 6.419 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.163 -13.803 6.358 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.708 -15.408 5.823 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.953 -14.629 3.442 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.530 -13.087 4.042 1.00 0.00 H new ATOM 0 HD2 LYS A 35 13.510 -14.296 3.610 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.311 -14.430 5.346 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.125 -16.652 4.947 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.583 -16.523 3.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 14.164 -17.855 4.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.917 -16.444 3.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.473 -16.569 5.564 1.00 0.00 H new ATOM 499 N GLY A 36 7.990 -12.007 4.567 1.00 0.00 N ATOM 500 CA GLY A 36 7.820 -10.627 4.152 1.00 0.00 C ATOM 501 C GLY A 36 8.816 -10.216 3.086 1.00 0.00 C ATOM 502 O GLY A 36 9.259 -9.067 3.052 1.00 0.00 O ATOM 0 H GLY A 36 7.160 -12.591 4.466 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.808 -10.487 3.773 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.929 -9.974 5.018 1.00 0.00 H new ATOM 506 N ARG A 37 9.172 -11.155 2.216 1.00 0.00 N ATOM 507 CA ARG A 37 10.125 -10.884 1.146 1.00 0.00 C ATOM 508 C ARG A 37 9.444 -10.173 -0.020 1.00 0.00 C ATOM 509 O ARG A 37 9.831 -9.067 -0.398 1.00 0.00 O ATOM 510 CB ARG A 37 10.763 -12.187 0.661 1.00 0.00 C ATOM 511 CG ARG A 37 11.520 -12.044 -0.649 1.00 0.00 C ATOM 512 CD ARG A 37 12.404 -13.251 -0.916 1.00 0.00 C ATOM 513 NE ARG A 37 11.668 -14.340 -1.552 1.00 0.00 N ATOM 514 CZ ARG A 37 12.252 -15.378 -2.139 1.00 0.00 C ATOM 515 NH1 ARG A 37 13.574 -15.469 -2.170 1.00 0.00 N ATOM 516 NH2 ARG A 37 11.513 -16.330 -2.695 1.00 0.00 N ATOM 0 H ARG A 37 8.815 -12.110 2.231 1.00 0.00 H new ATOM 0 HA ARG A 37 10.904 -10.232 1.542 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.446 -12.554 1.427 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.984 -12.940 0.540 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.812 -11.922 -1.468 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.132 -11.143 -0.620 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.237 -12.956 -1.554 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.831 -13.602 0.023 1.00 0.00 H new ATOM 0 HE ARG A 37 10.649 -14.301 -1.545 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.146 -14.740 -1.742 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.020 -16.268 -2.622 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.495 -16.265 -2.672 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.963 -17.127 -3.146 1.00 0.00 H new ATOM 530 N LEU A 38 8.431 -10.817 -0.589 1.00 0.00 N ATOM 531 CA LEU A 38 7.696 -10.248 -1.714 1.00 0.00 C ATOM 532 C LEU A 38 7.418 -8.765 -1.487 1.00 0.00 C ATOM 533 O LEU A 38 7.520 -7.956 -2.410 1.00 0.00 O ATOM 534 CB LEU A 38 6.381 -10.999 -1.922 1.00 0.00 C ATOM 535 CG LEU A 38 6.439 -12.207 -2.858 1.00 0.00 C ATOM 536 CD1 LEU A 38 6.768 -13.471 -2.079 1.00 0.00 C ATOM 537 CD2 LEU A 38 5.124 -12.367 -3.606 1.00 0.00 C ATOM 0 H LEU A 38 8.099 -11.734 -0.290 1.00 0.00 H new ATOM 0 HA LEU A 38 8.311 -10.352 -2.608 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.020 -11.335 -0.950 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.643 -10.298 -2.312 1.00 0.00 H new ATOM 0 HG LEU A 38 7.231 -12.038 -3.588 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.805 -14.320 -2.762 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.736 -13.356 -1.590 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.000 -13.644 -1.326 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.184 -13.232 -4.267 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.314 -12.513 -2.891 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.930 -11.472 -4.197 1.00 0.00 H new ATOM 549 N ILE A 39 7.069 -8.415 -0.253 1.00 0.00 N ATOM 550 CA ILE A 39 6.779 -7.030 0.094 1.00 0.00 C ATOM 551 C ILE A 39 8.062 -6.251 0.364 1.00 0.00 C ATOM 552 O ILE A 39 8.224 -5.123 -0.101 1.00 0.00 O ATOM 553 CB ILE A 39 5.868 -6.939 1.332 1.00 0.00 C ATOM 554 CG1 ILE A 39 4.430 -7.310 0.962 1.00 0.00 C ATOM 555 CG2 ILE A 39 5.922 -5.541 1.928 1.00 0.00 C ATOM 556 CD1 ILE A 39 3.781 -6.336 0.005 1.00 0.00 C ATOM 0 H ILE A 39 6.980 -9.072 0.522 1.00 0.00 H new ATOM 0 HA ILE A 39 6.263 -6.592 -0.760 1.00 0.00 H new ATOM 0 HB ILE A 39 6.226 -7.646 2.080 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.424 -8.304 0.515 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.832 -7.365 1.872 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.273 -5.493 2.802 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.946 -5.311 2.223 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.586 -4.816 1.186 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.764 -6.662 -0.212 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.755 -5.344 0.457 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.355 -6.298 -0.921 1.00 0.00 H new ATOM 568 N ARG A 40 8.972 -6.862 1.115 1.00 0.00 N ATOM 569 CA ARG A 40 10.242 -6.226 1.446 1.00 0.00 C ATOM 570 C ARG A 40 10.944 -5.728 0.186 1.00 0.00 C ATOM 571 O ARG A 40 11.706 -4.762 0.230 1.00 0.00 O ATOM 572 CB ARG A 40 11.147 -7.206 2.195 1.00 0.00 C ATOM 573 CG ARG A 40 10.977 -7.162 3.704 1.00 0.00 C ATOM 574 CD ARG A 40 11.631 -8.360 4.374 1.00 0.00 C ATOM 575 NE ARG A 40 11.308 -8.437 5.795 1.00 0.00 N ATOM 576 CZ ARG A 40 11.766 -9.386 6.603 1.00 0.00 C ATOM 577 NH1 ARG A 40 12.563 -10.335 6.132 1.00 0.00 N ATOM 578 NH2 ARG A 40 11.427 -9.388 7.887 1.00 0.00 N ATOM 0 H ARG A 40 8.854 -7.797 1.506 1.00 0.00 H new ATOM 0 HA ARG A 40 10.036 -5.370 2.088 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.942 -8.217 1.844 1.00 0.00 H new ATOM 0 HB3 ARG A 40 12.186 -6.988 1.949 1.00 0.00 H new ATOM 0 HG2 ARG A 40 11.414 -6.243 4.094 1.00 0.00 H new ATOM 0 HG3 ARG A 40 9.916 -7.140 3.951 1.00 0.00 H new ATOM 0 HD2 ARG A 40 11.306 -9.275 3.878 1.00 0.00 H new ATOM 0 HD3 ARG A 40 12.712 -8.298 4.251 1.00 0.00 H new ATOM 0 HE ARG A 40 10.697 -7.722 6.189 1.00 0.00 H new ATOM 0 HH11 ARG A 40 12.826 -10.337 5.146 1.00 0.00 H new ATOM 0 HH12 ARG A 40 12.913 -11.063 6.755 1.00 0.00 H new ATOM 0 HH21 ARG A 40 10.814 -8.660 8.254 1.00 0.00 H new ATOM 0 HH22 ARG A 40 11.780 -10.118 8.506 1.00 0.00 H new ATOM 592 N SER A 41 10.683 -6.394 -0.933 1.00 0.00 N ATOM 593 CA SER A 41 11.293 -6.021 -2.205 1.00 0.00 C ATOM 594 C SER A 41 10.632 -4.772 -2.779 1.00 0.00 C ATOM 595 O SER A 41 11.288 -3.751 -2.991 1.00 0.00 O ATOM 596 CB SER A 41 11.185 -7.174 -3.204 1.00 0.00 C ATOM 597 OG SER A 41 11.784 -6.833 -4.442 1.00 0.00 O ATOM 0 H SER A 41 10.053 -7.195 -0.986 1.00 0.00 H new ATOM 0 HA SER A 41 12.346 -5.803 -2.025 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.669 -8.061 -2.794 1.00 0.00 H new ATOM 0 HB3 SER A 41 10.136 -7.426 -3.361 1.00 0.00 H new ATOM 0 HG SER A 41 11.704 -7.587 -5.063 1.00 0.00 H new ATOM 603 N ILE A 42 9.330 -4.861 -3.029 1.00 0.00 N ATOM 604 CA ILE A 42 8.579 -3.739 -3.578 1.00 0.00 C ATOM 605 C ILE A 42 8.885 -2.450 -2.822 1.00 0.00 C ATOM 606 O ILE A 42 9.114 -1.403 -3.427 1.00 0.00 O ATOM 607 CB ILE A 42 7.062 -4.000 -3.532 1.00 0.00 C ATOM 608 CG1 ILE A 42 6.708 -5.232 -4.367 1.00 0.00 C ATOM 609 CG2 ILE A 42 6.300 -2.780 -4.029 1.00 0.00 C ATOM 610 CD1 ILE A 42 5.257 -5.642 -4.255 1.00 0.00 C ATOM 0 H ILE A 42 8.773 -5.699 -2.860 1.00 0.00 H new ATOM 0 HA ILE A 42 8.889 -3.630 -4.617 1.00 0.00 H new ATOM 0 HB ILE A 42 6.772 -4.190 -2.499 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.940 -5.031 -5.413 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.338 -6.065 -4.055 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.229 -2.979 -3.991 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.532 -1.923 -3.396 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.592 -2.562 -5.056 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.079 -6.522 -4.873 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.024 -5.875 -3.216 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.621 -4.825 -4.595 1.00 0.00 H new ATOM 622 N MET A 43 8.889 -2.535 -1.496 1.00 0.00 N ATOM 623 CA MET A 43 9.171 -1.377 -0.657 1.00 0.00 C ATOM 624 C MET A 43 10.480 -0.711 -1.070 1.00 0.00 C ATOM 625 O MET A 43 10.612 0.510 -1.009 1.00 0.00 O ATOM 626 CB MET A 43 9.237 -1.789 0.815 1.00 0.00 C ATOM 627 CG MET A 43 7.889 -2.185 1.396 1.00 0.00 C ATOM 628 SD MET A 43 7.787 -1.896 3.173 1.00 0.00 S ATOM 629 CE MET A 43 8.834 -3.212 3.790 1.00 0.00 C ATOM 0 H MET A 43 8.700 -3.394 -0.980 1.00 0.00 H new ATOM 0 HA MET A 43 8.361 -0.659 -0.789 1.00 0.00 H new ATOM 0 HB2 MET A 43 9.928 -2.625 0.919 1.00 0.00 H new ATOM 0 HB3 MET A 43 9.646 -0.963 1.397 1.00 0.00 H new ATOM 0 HG2 MET A 43 7.102 -1.622 0.894 1.00 0.00 H new ATOM 0 HG3 MET A 43 7.706 -3.240 1.192 1.00 0.00 H new ATOM 0 HE1 MET A 43 9.089 -3.016 4.831 1.00 0.00 H new ATOM 0 HE2 MET A 43 8.304 -4.162 3.719 1.00 0.00 H new ATOM 0 HE3 MET A 43 9.747 -3.260 3.196 1.00 0.00 H new ATOM 639 N GLU A 44 11.445 -1.524 -1.488 1.00 0.00 N ATOM 640 CA GLU A 44 12.744 -1.013 -1.910 1.00 0.00 C ATOM 641 C GLU A 44 12.687 -0.500 -3.346 1.00 0.00 C ATOM 642 O GLU A 44 13.136 0.608 -3.637 1.00 0.00 O ATOM 643 CB GLU A 44 13.811 -2.104 -1.787 1.00 0.00 C ATOM 644 CG GLU A 44 15.206 -1.564 -1.520 1.00 0.00 C ATOM 645 CD GLU A 44 16.284 -2.611 -1.719 1.00 0.00 C ATOM 646 OE1 GLU A 44 16.792 -2.735 -2.852 1.00 0.00 O ATOM 647 OE2 GLU A 44 16.621 -3.308 -0.739 1.00 0.00 O ATOM 0 H GLU A 44 11.352 -2.538 -1.543 1.00 0.00 H new ATOM 0 HA GLU A 44 13.008 -0.182 -1.257 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.533 -2.783 -0.981 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.827 -2.690 -2.706 1.00 0.00 H new ATOM 0 HG2 GLU A 44 15.398 -0.720 -2.182 1.00 0.00 H new ATOM 0 HG3 GLU A 44 15.256 -1.186 -0.499 1.00 0.00 H new ATOM 654 N GLU A 45 12.134 -1.315 -4.238 1.00 0.00 N ATOM 655 CA GLU A 45 12.019 -0.945 -5.644 1.00 0.00 C ATOM 656 C GLU A 45 11.285 0.383 -5.798 1.00 0.00 C ATOM 657 O GLU A 45 11.667 1.226 -6.611 1.00 0.00 O ATOM 658 CB GLU A 45 11.289 -2.039 -6.425 1.00 0.00 C ATOM 659 CG GLU A 45 12.016 -3.372 -6.431 1.00 0.00 C ATOM 660 CD GLU A 45 13.212 -3.381 -7.366 1.00 0.00 C ATOM 661 OE1 GLU A 45 14.277 -2.863 -6.969 1.00 0.00 O ATOM 662 OE2 GLU A 45 13.080 -3.903 -8.492 1.00 0.00 O ATOM 0 H GLU A 45 11.758 -2.236 -4.012 1.00 0.00 H new ATOM 0 HA GLU A 45 13.025 -0.833 -6.047 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.296 -2.178 -5.997 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.149 -1.707 -7.454 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.349 -3.605 -5.419 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.322 -4.159 -6.727 1.00 0.00 H new ATOM 669 N CYS A 46 10.228 0.562 -5.013 1.00 0.00 N ATOM 670 CA CYS A 46 9.437 1.787 -5.063 1.00 0.00 C ATOM 671 C CYS A 46 10.235 2.972 -4.527 1.00 0.00 C ATOM 672 O CYS A 46 10.243 4.048 -5.123 1.00 0.00 O ATOM 673 CB CYS A 46 8.147 1.619 -4.258 1.00 0.00 C ATOM 674 SG CYS A 46 8.380 1.694 -2.467 1.00 0.00 S ATOM 0 H CYS A 46 9.899 -0.125 -4.335 1.00 0.00 H new ATOM 0 HA CYS A 46 9.184 1.984 -6.105 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.442 2.396 -4.555 1.00 0.00 H new ATOM 0 HB3 CYS A 46 7.693 0.662 -4.515 1.00 0.00 H new ATOM 0 HG CYS A 46 9.532 1.178 -2.157 1.00 0.00 H new ATOM 680 N GLY A 47 10.904 2.765 -3.397 1.00 0.00 N ATOM 681 CA GLY A 47 11.695 3.825 -2.799 1.00 0.00 C ATOM 682 C GLY A 47 12.099 3.511 -1.372 1.00 0.00 C ATOM 683 O GLY A 47 13.244 3.733 -0.981 1.00 0.00 O ATOM 0 H GLY A 47 10.912 1.883 -2.885 1.00 0.00 H new ATOM 0 HA2 GLY A 47 12.590 3.989 -3.399 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.125 4.754 -2.816 1.00 0.00 H new ATOM 687 N GLY A 48 11.155 2.995 -0.591 1.00 0.00 N ATOM 688 CA GLY A 48 11.438 2.661 0.793 1.00 0.00 C ATOM 689 C GLY A 48 10.268 2.953 1.711 1.00 0.00 C ATOM 690 O GLY A 48 10.453 3.403 2.842 1.00 0.00 O ATOM 0 H GLY A 48 10.200 2.802 -0.892 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.696 1.604 0.863 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.309 3.224 1.129 1.00 0.00 H new ATOM 694 N VAL A 49 9.057 2.699 1.223 1.00 0.00 N ATOM 695 CA VAL A 49 7.852 2.937 2.008 1.00 0.00 C ATOM 696 C VAL A 49 7.686 1.883 3.096 1.00 0.00 C ATOM 697 O VAL A 49 8.346 0.844 3.074 1.00 0.00 O ATOM 698 CB VAL A 49 6.595 2.943 1.117 1.00 0.00 C ATOM 699 CG1 VAL A 49 6.648 4.095 0.125 1.00 0.00 C ATOM 700 CG2 VAL A 49 6.448 1.613 0.395 1.00 0.00 C ATOM 0 H VAL A 49 8.885 2.329 0.288 1.00 0.00 H new ATOM 0 HA VAL A 49 7.965 3.917 2.472 1.00 0.00 H new ATOM 0 HB VAL A 49 5.721 3.084 1.753 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.752 4.083 -0.495 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.701 5.039 0.667 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.529 3.990 -0.508 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.555 1.635 -0.230 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.324 1.440 -0.230 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.359 0.810 1.126 1.00 0.00 H new ATOM 710 N HIS A 50 6.798 2.157 4.047 1.00 0.00 N ATOM 711 CA HIS A 50 6.544 1.230 5.145 1.00 0.00 C ATOM 712 C HIS A 50 5.096 0.751 5.126 1.00 0.00 C ATOM 713 O HIS A 50 4.180 1.498 5.471 1.00 0.00 O ATOM 714 CB HIS A 50 6.856 1.896 6.485 1.00 0.00 C ATOM 715 CG HIS A 50 8.290 2.302 6.632 1.00 0.00 C ATOM 716 ND1 HIS A 50 9.160 2.821 5.735 1.00 0.00 N flip ATOM 717 CD2 HIS A 50 8.986 2.190 7.818 1.00 0.00 C flip ATOM 718 CE1 HIS A 50 10.353 3.012 6.387 1.00 0.00 C flip ATOM 719 NE2 HIS A 50 10.222 2.624 7.643 1.00 0.00 N flip ATOM 0 H HIS A 50 6.243 3.012 4.080 1.00 0.00 H new ATOM 0 HA HIS A 50 7.196 0.366 5.017 1.00 0.00 H new ATOM 0 HB2 HIS A 50 6.224 2.777 6.600 1.00 0.00 H new ATOM 0 HB3 HIS A 50 6.597 1.210 7.291 1.00 0.00 H new ATOM 0 HD2 HIS A 50 8.584 1.808 8.744 1.00 0.00 H new ATOM 0 HE1 HIS A 50 11.253 3.414 5.945 1.00 0.00 H new ATOM 0 HE2 HIS A 50 10.951 2.654 8.356 1.00 0.00 H new ATOM 727 N ILE A 51 4.896 -0.499 4.721 1.00 0.00 N ATOM 728 CA ILE A 51 3.560 -1.077 4.659 1.00 0.00 C ATOM 729 C ILE A 51 3.177 -1.722 5.986 1.00 0.00 C ATOM 730 O ILE A 51 3.954 -2.482 6.566 1.00 0.00 O ATOM 731 CB ILE A 51 3.453 -2.130 3.538 1.00 0.00 C ATOM 732 CG1 ILE A 51 3.920 -1.538 2.207 1.00 0.00 C ATOM 733 CG2 ILE A 51 2.025 -2.640 3.427 1.00 0.00 C ATOM 734 CD1 ILE A 51 4.437 -2.575 1.234 1.00 0.00 C ATOM 0 H ILE A 51 5.643 -1.130 4.431 1.00 0.00 H new ATOM 0 HA ILE A 51 2.872 -0.259 4.445 1.00 0.00 H new ATOM 0 HB ILE A 51 4.100 -2.972 3.785 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.091 -1.001 1.747 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.706 -0.808 2.399 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.965 -3.383 2.632 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.727 -3.095 4.372 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.358 -1.808 3.198 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.751 -2.085 0.312 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.287 -3.096 1.675 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.647 -3.292 1.013 1.00 0.00 H new ATOM 746 N HIS A 52 1.974 -1.418 6.461 1.00 0.00 N ATOM 747 CA HIS A 52 1.485 -1.971 7.719 1.00 0.00 C ATOM 748 C HIS A 52 0.300 -2.900 7.481 1.00 0.00 C ATOM 749 O HIS A 52 -0.745 -2.476 6.987 1.00 0.00 O ATOM 750 CB HIS A 52 1.083 -0.845 8.672 1.00 0.00 C ATOM 751 CG HIS A 52 2.187 0.127 8.952 1.00 0.00 C ATOM 752 ND1 HIS A 52 3.475 -0.263 9.253 1.00 0.00 N ATOM 753 CD2 HIS A 52 2.191 1.480 8.974 1.00 0.00 C ATOM 754 CE1 HIS A 52 4.222 0.808 9.449 1.00 0.00 C ATOM 755 NE2 HIS A 52 3.468 1.879 9.285 1.00 0.00 N ATOM 0 H HIS A 52 1.319 -0.791 5.994 1.00 0.00 H new ATOM 0 HA HIS A 52 2.291 -2.550 8.171 1.00 0.00 H new ATOM 0 HB2 HIS A 52 0.235 -0.307 8.248 1.00 0.00 H new ATOM 0 HB3 HIS A 52 0.746 -1.280 9.613 1.00 0.00 H new ATOM 0 HD1 HIS A 52 3.800 -1.228 9.315 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.347 2.126 8.783 1.00 0.00 H new ATOM 0 HE1 HIS A 52 5.272 0.808 9.701 1.00 0.00 H new ATOM 763 N PHE A 53 0.470 -4.170 7.834 1.00 0.00 N ATOM 764 CA PHE A 53 -0.586 -5.161 7.657 1.00 0.00 C ATOM 765 C PHE A 53 -1.207 -5.540 8.998 1.00 0.00 C ATOM 766 O PHE A 53 -0.518 -5.697 10.007 1.00 0.00 O ATOM 767 CB PHE A 53 -0.032 -6.410 6.967 1.00 0.00 C ATOM 768 CG PHE A 53 -0.001 -6.303 5.469 1.00 0.00 C ATOM 769 CD1 PHE A 53 -1.165 -6.431 4.728 1.00 0.00 C ATOM 770 CD2 PHE A 53 1.191 -6.073 4.803 1.00 0.00 C ATOM 771 CE1 PHE A 53 -1.139 -6.335 3.350 1.00 0.00 C ATOM 772 CE2 PHE A 53 1.223 -5.975 3.424 1.00 0.00 C ATOM 773 CZ PHE A 53 0.057 -6.105 2.696 1.00 0.00 C ATOM 0 H PHE A 53 1.329 -4.537 8.244 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.361 -4.721 7.029 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.978 -6.599 7.331 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.638 -7.271 7.249 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.103 -6.608 5.233 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.106 -5.969 5.367 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.053 -6.440 2.784 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.160 -5.797 2.917 1.00 0.00 H new ATOM 0 HZ PHE A 53 0.079 -6.027 1.619 1.00 0.00 H new ATOM 783 N PRO A 54 -2.539 -5.691 9.011 1.00 0.00 N ATOM 784 CA PRO A 54 -3.283 -6.053 10.221 1.00 0.00 C ATOM 785 C PRO A 54 -3.018 -7.491 10.657 1.00 0.00 C ATOM 786 O PRO A 54 -2.555 -8.314 9.866 1.00 0.00 O ATOM 787 CB PRO A 54 -4.745 -5.883 9.803 1.00 0.00 C ATOM 788 CG PRO A 54 -4.741 -6.063 8.324 1.00 0.00 C ATOM 789 CD PRO A 54 -3.423 -5.520 7.846 1.00 0.00 C ATOM 0 HA PRO A 54 -2.995 -5.439 11.075 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.384 -6.620 10.290 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -5.124 -4.900 10.081 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.850 -7.115 8.058 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.573 -5.530 7.863 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.054 -6.067 6.978 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.503 -4.473 7.553 1.00 0.00 H new ATOM 797 N VAL A 55 -3.315 -7.787 11.918 1.00 0.00 N ATOM 798 CA VAL A 55 -3.110 -9.127 12.457 1.00 0.00 C ATOM 799 C VAL A 55 -4.346 -9.995 12.255 1.00 0.00 C ATOM 800 O VAL A 55 -5.472 -9.552 12.480 1.00 0.00 O ATOM 801 CB VAL A 55 -2.767 -9.081 13.958 1.00 0.00 C ATOM 802 CG1 VAL A 55 -2.588 -10.487 14.508 1.00 0.00 C ATOM 803 CG2 VAL A 55 -1.520 -8.243 14.194 1.00 0.00 C ATOM 0 H VAL A 55 -3.698 -7.118 12.586 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.272 -9.563 11.914 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.596 -8.613 14.489 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.346 -10.434 15.570 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.511 -11.051 14.374 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.778 -10.986 13.976 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.292 -8.221 15.260 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.681 -8.679 13.652 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.692 -7.227 13.839 1.00 0.00 H new ATOM 813 N GLU A 56 -4.128 -11.235 11.830 1.00 0.00 N ATOM 814 CA GLU A 56 -5.226 -12.167 11.596 1.00 0.00 C ATOM 815 C GLU A 56 -6.153 -12.227 12.806 1.00 0.00 C ATOM 816 O GLU A 56 -5.757 -11.899 13.924 1.00 0.00 O ATOM 817 CB GLU A 56 -4.682 -13.563 11.286 1.00 0.00 C ATOM 818 CG GLU A 56 -4.175 -13.718 9.863 1.00 0.00 C ATOM 819 CD GLU A 56 -3.145 -12.668 9.492 1.00 0.00 C ATOM 820 OE1 GLU A 56 -1.955 -12.866 9.812 1.00 0.00 O ATOM 821 OE2 GLU A 56 -3.531 -11.647 8.884 1.00 0.00 O ATOM 0 H GLU A 56 -3.202 -11.618 11.641 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.797 -11.810 10.739 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.871 -13.789 11.978 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.467 -14.297 11.465 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.737 -14.709 9.743 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.016 -13.656 9.173 1.00 0.00 H new ATOM 828 N GLY A 57 -7.392 -12.649 12.574 1.00 0.00 N ATOM 829 CA GLY A 57 -8.359 -12.745 13.653 1.00 0.00 C ATOM 830 C GLY A 57 -9.052 -11.425 13.929 1.00 0.00 C ATOM 831 O GLY A 57 -10.279 -11.352 13.944 1.00 0.00 O ATOM 0 H GLY A 57 -7.744 -12.926 11.658 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -9.106 -13.498 13.402 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.856 -13.084 14.559 1.00 0.00 H new ATOM 835 N SER A 58 -8.262 -10.378 14.150 1.00 0.00 N ATOM 836 CA SER A 58 -8.807 -9.056 14.433 1.00 0.00 C ATOM 837 C SER A 58 -9.980 -8.743 13.508 1.00 0.00 C ATOM 838 O SER A 58 -11.020 -8.256 13.949 1.00 0.00 O ATOM 839 CB SER A 58 -7.721 -7.989 14.277 1.00 0.00 C ATOM 840 OG SER A 58 -6.652 -8.215 15.179 1.00 0.00 O ATOM 0 H SER A 58 -7.243 -10.420 14.138 1.00 0.00 H new ATOM 0 HA SER A 58 -9.166 -9.051 15.462 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.345 -7.995 13.254 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.148 -7.002 14.454 1.00 0.00 H new ATOM 0 HG SER A 58 -5.970 -7.521 15.059 1.00 0.00 H new ATOM 846 N GLY A 59 -9.803 -9.027 12.222 1.00 0.00 N ATOM 847 CA GLY A 59 -10.853 -8.769 11.254 1.00 0.00 C ATOM 848 C GLY A 59 -10.687 -7.430 10.560 1.00 0.00 C ATOM 849 O GLY A 59 -11.655 -6.690 10.386 1.00 0.00 O ATOM 0 H GLY A 59 -8.951 -9.431 11.833 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.858 -9.563 10.508 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.820 -8.797 11.756 1.00 0.00 H new ATOM 853 N SER A 60 -9.458 -7.119 10.166 1.00 0.00 N ATOM 854 CA SER A 60 -9.167 -5.858 9.493 1.00 0.00 C ATOM 855 C SER A 60 -8.559 -6.104 8.116 1.00 0.00 C ATOM 856 O SER A 60 -7.449 -6.625 7.999 1.00 0.00 O ATOM 857 CB SER A 60 -8.215 -5.011 10.339 1.00 0.00 C ATOM 858 OG SER A 60 -7.898 -3.794 9.687 1.00 0.00 O ATOM 0 H SER A 60 -8.647 -7.722 10.301 1.00 0.00 H new ATOM 0 HA SER A 60 -10.106 -5.319 9.365 1.00 0.00 H new ATOM 0 HB2 SER A 60 -8.672 -4.801 11.306 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.301 -5.571 10.534 1.00 0.00 H new ATOM 0 HG SER A 60 -7.289 -3.271 10.249 1.00 0.00 H new ATOM 864 N ASP A 61 -9.294 -5.727 7.075 1.00 0.00 N ATOM 865 CA ASP A 61 -8.827 -5.905 5.705 1.00 0.00 C ATOM 866 C ASP A 61 -8.300 -4.593 5.135 1.00 0.00 C ATOM 867 O ASP A 61 -8.522 -4.277 3.966 1.00 0.00 O ATOM 868 CB ASP A 61 -9.959 -6.440 4.825 1.00 0.00 C ATOM 869 CG ASP A 61 -10.856 -7.414 5.563 1.00 0.00 C ATOM 870 OD1 ASP A 61 -11.603 -6.968 6.460 1.00 0.00 O ATOM 871 OD2 ASP A 61 -10.813 -8.620 5.243 1.00 0.00 O ATOM 0 H ASP A 61 -10.215 -5.296 7.154 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.011 -6.628 5.716 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.557 -5.605 4.460 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.534 -6.933 3.951 1.00 0.00 H new ATOM 876 N THR A 62 -7.600 -3.831 5.969 1.00 0.00 N ATOM 877 CA THR A 62 -7.042 -2.551 5.550 1.00 0.00 C ATOM 878 C THR A 62 -5.523 -2.542 5.684 1.00 0.00 C ATOM 879 O THR A 62 -4.968 -3.144 6.603 1.00 0.00 O ATOM 880 CB THR A 62 -7.626 -1.387 6.373 1.00 0.00 C ATOM 881 OG1 THR A 62 -9.042 -1.313 6.181 1.00 0.00 O ATOM 882 CG2 THR A 62 -6.984 -0.066 5.972 1.00 0.00 C ATOM 0 H THR A 62 -7.406 -4.078 6.939 1.00 0.00 H new ATOM 0 HA THR A 62 -7.312 -2.417 4.502 1.00 0.00 H new ATOM 0 HB THR A 62 -7.413 -1.572 7.426 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.405 -0.572 6.709 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.412 0.742 6.566 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.909 -0.116 6.147 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.171 0.123 4.915 1.00 0.00 H new ATOM 890 N VAL A 63 -4.856 -1.856 4.761 1.00 0.00 N ATOM 891 CA VAL A 63 -3.401 -1.768 4.777 1.00 0.00 C ATOM 892 C VAL A 63 -2.939 -0.316 4.778 1.00 0.00 C ATOM 893 O VAL A 63 -3.216 0.436 3.843 1.00 0.00 O ATOM 894 CB VAL A 63 -2.781 -2.492 3.568 1.00 0.00 C ATOM 895 CG1 VAL A 63 -1.271 -2.308 3.551 1.00 0.00 C ATOM 896 CG2 VAL A 63 -3.147 -3.969 3.587 1.00 0.00 C ATOM 0 H VAL A 63 -5.300 -1.353 3.993 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.065 -2.254 5.693 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.186 -2.052 2.656 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.851 -2.827 2.689 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.035 -1.246 3.486 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.844 -2.719 4.466 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.701 -4.466 2.725 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.772 -4.425 4.503 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.231 -4.076 3.546 1.00 0.00 H new ATOM 906 N VAL A 64 -2.230 0.074 5.833 1.00 0.00 N ATOM 907 CA VAL A 64 -1.727 1.437 5.955 1.00 0.00 C ATOM 908 C VAL A 64 -0.282 1.534 5.478 1.00 0.00 C ATOM 909 O VAL A 64 0.620 0.948 6.076 1.00 0.00 O ATOM 910 CB VAL A 64 -1.812 1.939 7.409 1.00 0.00 C ATOM 911 CG1 VAL A 64 -1.211 3.331 7.530 1.00 0.00 C ATOM 912 CG2 VAL A 64 -3.254 1.927 7.894 1.00 0.00 C ATOM 0 H VAL A 64 -1.991 -0.535 6.616 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.357 2.065 5.325 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.235 1.265 8.042 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.280 3.669 8.564 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.164 3.303 7.227 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.757 4.020 6.886 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.295 2.285 8.923 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.857 2.577 7.260 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.645 0.911 7.847 1.00 0.00 H new ATOM 922 N ILE A 65 -0.070 2.279 4.399 1.00 0.00 N ATOM 923 CA ILE A 65 1.267 2.455 3.843 1.00 0.00 C ATOM 924 C ILE A 65 1.800 3.854 4.127 1.00 0.00 C ATOM 925 O ILE A 65 1.098 4.847 3.939 1.00 0.00 O ATOM 926 CB ILE A 65 1.279 2.211 2.322 1.00 0.00 C ATOM 927 CG1 ILE A 65 0.737 0.816 2.002 1.00 0.00 C ATOM 928 CG2 ILE A 65 2.688 2.378 1.771 1.00 0.00 C ATOM 929 CD1 ILE A 65 0.499 0.585 0.526 1.00 0.00 C ATOM 0 H ILE A 65 -0.806 2.771 3.892 1.00 0.00 H new ATOM 0 HA ILE A 65 1.910 1.720 4.326 1.00 0.00 H new ATOM 0 HB ILE A 65 0.633 2.948 1.845 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.440 0.069 2.370 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.199 0.666 2.541 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.681 2.203 0.695 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.039 3.390 1.971 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.354 1.661 2.251 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.115 -0.424 0.373 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.227 1.309 0.157 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.437 0.703 -0.017 1.00 0.00 H new ATOM 941 N ARG A 66 3.048 3.924 4.580 1.00 0.00 N ATOM 942 CA ARG A 66 3.677 5.202 4.889 1.00 0.00 C ATOM 943 C ARG A 66 4.868 5.460 3.970 1.00 0.00 C ATOM 944 O ARG A 66 5.509 4.524 3.491 1.00 0.00 O ATOM 945 CB ARG A 66 4.132 5.231 6.350 1.00 0.00 C ATOM 946 CG ARG A 66 3.062 5.722 7.311 1.00 0.00 C ATOM 947 CD ARG A 66 3.271 5.164 8.710 1.00 0.00 C ATOM 948 NE ARG A 66 2.022 5.086 9.461 1.00 0.00 N ATOM 949 CZ ARG A 66 1.965 4.968 10.784 1.00 0.00 C ATOM 950 NH1 ARG A 66 3.081 4.916 11.496 1.00 0.00 N ATOM 951 NH2 ARG A 66 0.789 4.904 11.395 1.00 0.00 N ATOM 0 H ARG A 66 3.643 3.111 4.741 1.00 0.00 H new ATOM 0 HA ARG A 66 2.939 5.988 4.729 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.441 4.228 6.645 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.008 5.873 6.436 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.076 6.811 7.347 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.079 5.428 6.944 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.715 4.171 8.641 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.979 5.793 9.249 1.00 0.00 H new ATOM 0 HE ARG A 66 1.145 5.124 8.942 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.987 4.967 11.029 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.035 4.825 12.511 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.072 4.945 10.850 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.746 4.813 12.410 1.00 0.00 H new ATOM 965 N GLY A 67 5.157 6.734 3.728 1.00 0.00 N ATOM 966 CA GLY A 67 6.269 7.091 2.866 1.00 0.00 C ATOM 967 C GLY A 67 5.933 8.235 1.929 1.00 0.00 C ATOM 968 O GLY A 67 4.879 8.860 2.033 1.00 0.00 O ATOM 0 H GLY A 67 4.642 7.526 4.113 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.126 7.368 3.480 1.00 0.00 H new ATOM 0 HA3 GLY A 67 6.565 6.221 2.280 1.00 0.00 H new ATOM 972 N PRO A 68 6.846 8.522 0.988 1.00 0.00 N ATOM 973 CA PRO A 68 6.664 9.599 0.012 1.00 0.00 C ATOM 974 C PRO A 68 5.573 9.282 -1.005 1.00 0.00 C ATOM 975 O PRO A 68 5.686 8.326 -1.773 1.00 0.00 O ATOM 976 CB PRO A 68 8.028 9.688 -0.677 1.00 0.00 C ATOM 977 CG PRO A 68 8.622 8.331 -0.516 1.00 0.00 C ATOM 978 CD PRO A 68 8.126 7.816 0.806 1.00 0.00 C ATOM 0 HA PRO A 68 6.349 10.529 0.486 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.924 9.952 -1.729 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.655 10.452 -0.217 1.00 0.00 H new ATOM 0 HG2 PRO A 68 8.318 7.673 -1.330 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.711 8.377 -0.533 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.990 6.735 0.791 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.826 8.038 1.612 1.00 0.00 H new ATOM 986 N SER A 69 4.517 10.090 -1.005 1.00 0.00 N ATOM 987 CA SER A 69 3.404 9.893 -1.926 1.00 0.00 C ATOM 988 C SER A 69 3.905 9.441 -3.294 1.00 0.00 C ATOM 989 O SER A 69 3.199 8.749 -4.028 1.00 0.00 O ATOM 990 CB SER A 69 2.596 11.185 -2.067 1.00 0.00 C ATOM 991 OG SER A 69 3.433 12.324 -1.965 1.00 0.00 O ATOM 0 H SER A 69 4.409 10.887 -0.378 1.00 0.00 H new ATOM 0 HA SER A 69 2.760 9.113 -1.518 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.082 11.193 -3.028 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.828 11.224 -1.294 1.00 0.00 H new ATOM 0 HG SER A 69 2.893 13.136 -2.060 1.00 0.00 H new ATOM 997 N SER A 70 5.127 9.836 -3.631 1.00 0.00 N ATOM 998 CA SER A 70 5.723 9.476 -4.912 1.00 0.00 C ATOM 999 C SER A 70 5.912 7.966 -5.018 1.00 0.00 C ATOM 1000 O SER A 70 5.564 7.355 -6.027 1.00 0.00 O ATOM 1001 CB SER A 70 7.067 10.184 -5.092 1.00 0.00 C ATOM 1002 OG SER A 70 7.476 10.166 -6.448 1.00 0.00 O ATOM 0 H SER A 70 5.725 10.407 -3.034 1.00 0.00 H new ATOM 0 HA SER A 70 5.044 9.796 -5.702 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.987 11.215 -4.747 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.823 9.698 -4.475 1.00 0.00 H new ATOM 0 HG SER A 70 8.337 10.626 -6.536 1.00 0.00 H new ATOM 1008 N ASP A 71 6.466 7.371 -3.968 1.00 0.00 N ATOM 1009 CA ASP A 71 6.702 5.932 -3.940 1.00 0.00 C ATOM 1010 C ASP A 71 5.462 5.188 -3.455 1.00 0.00 C ATOM 1011 O ASP A 71 5.294 3.999 -3.724 1.00 0.00 O ATOM 1012 CB ASP A 71 7.894 5.606 -3.037 1.00 0.00 C ATOM 1013 CG ASP A 71 9.148 6.356 -3.441 1.00 0.00 C ATOM 1014 OD1 ASP A 71 9.332 6.598 -4.652 1.00 0.00 O ATOM 1015 OD2 ASP A 71 9.945 6.702 -2.544 1.00 0.00 O ATOM 0 H ASP A 71 6.760 7.863 -3.124 1.00 0.00 H new ATOM 0 HA ASP A 71 6.926 5.605 -4.956 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.643 5.853 -2.005 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.089 4.534 -3.070 1.00 0.00 H new ATOM 1020 N VAL A 72 4.596 5.896 -2.738 1.00 0.00 N ATOM 1021 CA VAL A 72 3.371 5.303 -2.214 1.00 0.00 C ATOM 1022 C VAL A 72 2.419 4.922 -3.343 1.00 0.00 C ATOM 1023 O VAL A 72 1.810 3.853 -3.320 1.00 0.00 O ATOM 1024 CB VAL A 72 2.649 6.264 -1.251 1.00 0.00 C ATOM 1025 CG1 VAL A 72 1.349 5.647 -0.758 1.00 0.00 C ATOM 1026 CG2 VAL A 72 3.554 6.626 -0.084 1.00 0.00 C ATOM 0 H VAL A 72 4.720 6.882 -2.506 1.00 0.00 H new ATOM 0 HA VAL A 72 3.662 4.405 -1.669 1.00 0.00 H new ATOM 0 HB VAL A 72 2.407 7.180 -1.791 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.852 6.340 -0.079 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.698 5.443 -1.608 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.564 4.716 -0.234 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.028 7.306 0.587 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.828 5.721 0.458 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.455 7.111 -0.459 1.00 0.00 H new ATOM 1036 N GLU A 73 2.299 5.804 -4.330 1.00 0.00 N ATOM 1037 CA GLU A 73 1.421 5.559 -5.469 1.00 0.00 C ATOM 1038 C GLU A 73 1.863 4.319 -6.241 1.00 0.00 C ATOM 1039 O GLU A 73 1.038 3.506 -6.658 1.00 0.00 O ATOM 1040 CB GLU A 73 1.406 6.774 -6.400 1.00 0.00 C ATOM 1041 CG GLU A 73 2.615 6.853 -7.315 1.00 0.00 C ATOM 1042 CD GLU A 73 2.476 7.933 -8.371 1.00 0.00 C ATOM 1043 OE1 GLU A 73 2.347 9.117 -7.996 1.00 0.00 O ATOM 1044 OE2 GLU A 73 2.499 7.594 -9.573 1.00 0.00 O ATOM 0 H GLU A 73 2.798 6.693 -4.364 1.00 0.00 H new ATOM 0 HA GLU A 73 0.414 5.389 -5.088 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.502 6.744 -7.008 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.356 7.682 -5.799 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.506 7.046 -6.718 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.761 5.889 -7.803 1.00 0.00 H new ATOM 1051 N LYS A 74 3.171 4.180 -6.427 1.00 0.00 N ATOM 1052 CA LYS A 74 3.726 3.040 -7.147 1.00 0.00 C ATOM 1053 C LYS A 74 3.598 1.762 -6.323 1.00 0.00 C ATOM 1054 O LYS A 74 3.324 0.691 -6.863 1.00 0.00 O ATOM 1055 CB LYS A 74 5.195 3.294 -7.492 1.00 0.00 C ATOM 1056 CG LYS A 74 5.423 4.571 -8.280 1.00 0.00 C ATOM 1057 CD LYS A 74 6.801 4.593 -8.921 1.00 0.00 C ATOM 1058 CE LYS A 74 6.894 3.605 -10.074 1.00 0.00 C ATOM 1059 NZ LYS A 74 8.113 3.830 -10.900 1.00 0.00 N ATOM 0 H LYS A 74 3.868 4.844 -6.089 1.00 0.00 H new ATOM 0 HA LYS A 74 3.160 2.914 -8.070 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.774 3.338 -6.569 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.576 2.450 -8.067 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.660 4.664 -9.053 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.314 5.431 -7.620 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.019 5.598 -9.283 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.556 4.353 -8.172 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.904 2.588 -9.681 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.008 3.695 -10.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.140 3.137 -11.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.092 4.792 -11.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.960 3.719 -10.307 1.00 0.00 H new ATOM 1073 N ALA A 75 3.797 1.884 -5.015 1.00 0.00 N ATOM 1074 CA ALA A 75 3.702 0.740 -4.118 1.00 0.00 C ATOM 1075 C ALA A 75 2.258 0.265 -3.987 1.00 0.00 C ATOM 1076 O ALA A 75 1.989 -0.937 -3.969 1.00 0.00 O ATOM 1077 CB ALA A 75 4.269 1.092 -2.750 1.00 0.00 C ATOM 0 H ALA A 75 4.025 2.764 -4.553 1.00 0.00 H new ATOM 0 HA ALA A 75 4.289 -0.074 -4.544 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.191 0.228 -2.091 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.316 1.377 -2.853 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.706 1.924 -2.326 1.00 0.00 H new ATOM 1083 N LYS A 76 1.334 1.214 -3.894 1.00 0.00 N ATOM 1084 CA LYS A 76 -0.083 0.893 -3.766 1.00 0.00 C ATOM 1085 C LYS A 76 -0.620 0.277 -5.054 1.00 0.00 C ATOM 1086 O LYS A 76 -1.270 -0.769 -5.030 1.00 0.00 O ATOM 1087 CB LYS A 76 -0.882 2.150 -3.417 1.00 0.00 C ATOM 1088 CG LYS A 76 -2.239 1.857 -2.800 1.00 0.00 C ATOM 1089 CD LYS A 76 -3.172 3.051 -2.913 1.00 0.00 C ATOM 1090 CE LYS A 76 -3.977 3.010 -4.203 1.00 0.00 C ATOM 1091 NZ LYS A 76 -4.409 4.370 -4.631 1.00 0.00 N ATOM 0 H LYS A 76 1.540 2.213 -3.905 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.194 0.165 -2.962 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.301 2.759 -2.724 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.024 2.743 -4.321 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.687 0.996 -3.296 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.113 1.591 -1.751 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.850 3.066 -2.060 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.591 3.973 -2.875 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -3.377 2.555 -4.991 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -4.854 2.377 -4.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -4.955 4.299 -5.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -5.002 4.795 -3.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -3.572 4.967 -4.788 1.00 0.00 H new ATOM 1105 N LYS A 77 -0.344 0.931 -6.177 1.00 0.00 N ATOM 1106 CA LYS A 77 -0.798 0.446 -7.476 1.00 0.00 C ATOM 1107 C LYS A 77 -0.248 -0.948 -7.758 1.00 0.00 C ATOM 1108 O LYS A 77 -0.861 -1.731 -8.483 1.00 0.00 O ATOM 1109 CB LYS A 77 -0.364 1.411 -8.582 1.00 0.00 C ATOM 1110 CG LYS A 77 1.077 1.225 -9.022 1.00 0.00 C ATOM 1111 CD LYS A 77 1.438 2.162 -10.161 1.00 0.00 C ATOM 1112 CE LYS A 77 1.161 1.527 -11.516 1.00 0.00 C ATOM 1113 NZ LYS A 77 2.005 0.320 -11.745 1.00 0.00 N ATOM 0 H LYS A 77 0.192 1.798 -6.214 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.886 0.391 -7.456 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.018 1.280 -9.444 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.499 2.435 -8.233 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.742 1.405 -8.177 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.232 0.193 -9.336 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.867 3.086 -10.068 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.492 2.430 -10.093 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.108 1.252 -11.580 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.348 2.256 -12.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.558 0.443 -12.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.652 0.191 -10.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.395 -0.518 -11.837 1.00 0.00 H new ATOM 1127 N GLN A 78 0.911 -1.250 -7.181 1.00 0.00 N ATOM 1128 CA GLN A 78 1.542 -2.551 -7.371 1.00 0.00 C ATOM 1129 C GLN A 78 0.860 -3.617 -6.519 1.00 0.00 C ATOM 1130 O GLN A 78 0.710 -4.763 -6.943 1.00 0.00 O ATOM 1131 CB GLN A 78 3.028 -2.477 -7.022 1.00 0.00 C ATOM 1132 CG GLN A 78 3.889 -1.909 -8.139 1.00 0.00 C ATOM 1133 CD GLN A 78 5.325 -1.681 -7.712 1.00 0.00 C ATOM 1134 OE1 GLN A 78 6.070 -2.631 -7.464 1.00 0.00 O ATOM 1135 NE2 GLN A 78 5.724 -0.417 -7.624 1.00 0.00 N ATOM 0 H GLN A 78 1.432 -0.612 -6.579 1.00 0.00 H new ATOM 0 HA GLN A 78 1.436 -2.828 -8.420 1.00 0.00 H new ATOM 0 HB2 GLN A 78 3.153 -1.863 -6.130 1.00 0.00 H new ATOM 0 HB3 GLN A 78 3.384 -3.477 -6.773 1.00 0.00 H new ATOM 0 HG2 GLN A 78 3.871 -2.591 -8.989 1.00 0.00 H new ATOM 0 HG3 GLN A 78 3.461 -0.966 -8.478 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.074 0.339 -7.839 1.00 0.00 H new ATOM 0 HE22 GLN A 78 6.680 -0.203 -7.342 1.00 0.00 H new ATOM 1144 N LEU A 79 0.448 -3.232 -5.316 1.00 0.00 N ATOM 1145 CA LEU A 79 -0.218 -4.155 -4.404 1.00 0.00 C ATOM 1146 C LEU A 79 -1.625 -4.482 -4.893 1.00 0.00 C ATOM 1147 O LEU A 79 -2.082 -5.621 -4.783 1.00 0.00 O ATOM 1148 CB LEU A 79 -0.281 -3.555 -2.998 1.00 0.00 C ATOM 1149 CG LEU A 79 -0.259 -4.555 -1.841 1.00 0.00 C ATOM 1150 CD1 LEU A 79 1.171 -4.829 -1.401 1.00 0.00 C ATOM 1151 CD2 LEU A 79 -1.088 -4.039 -0.674 1.00 0.00 C ATOM 0 H LEU A 79 0.563 -2.287 -4.950 1.00 0.00 H new ATOM 0 HA LEU A 79 0.360 -5.079 -4.373 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.560 -2.872 -2.878 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.190 -2.958 -2.919 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.698 -5.491 -2.186 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.168 -5.543 -0.577 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.736 -5.242 -2.237 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.635 -3.899 -1.074 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.061 -4.763 0.140 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.679 -3.090 -0.329 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.119 -3.894 -0.996 1.00 0.00 H new ATOM 1163 N LEU A 80 -2.306 -3.479 -5.435 1.00 0.00 N ATOM 1164 CA LEU A 80 -3.661 -3.661 -5.943 1.00 0.00 C ATOM 1165 C LEU A 80 -3.692 -4.713 -7.049 1.00 0.00 C ATOM 1166 O LEU A 80 -4.546 -5.598 -7.054 1.00 0.00 O ATOM 1167 CB LEU A 80 -4.213 -2.335 -6.470 1.00 0.00 C ATOM 1168 CG LEU A 80 -4.902 -1.438 -5.441 1.00 0.00 C ATOM 1169 CD1 LEU A 80 -3.885 -0.555 -4.735 1.00 0.00 C ATOM 1170 CD2 LEU A 80 -5.976 -0.592 -6.106 1.00 0.00 C ATOM 0 H LEU A 80 -1.942 -2.531 -5.534 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.287 -4.006 -5.120 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.392 -1.775 -6.918 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.924 -2.552 -7.267 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.379 -2.074 -4.695 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.394 0.076 -4.007 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.153 -1.180 -4.224 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.378 0.073 -5.467 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.456 0.040 -5.359 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.522 0.034 -6.874 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.721 -1.243 -6.563 1.00 0.00 H new ATOM 1182 N HIS A 81 -2.752 -4.607 -7.983 1.00 0.00 N ATOM 1183 CA HIS A 81 -2.670 -5.551 -9.093 1.00 0.00 C ATOM 1184 C HIS A 81 -2.378 -6.961 -8.587 1.00 0.00 C ATOM 1185 O HIS A 81 -3.162 -7.885 -8.807 1.00 0.00 O ATOM 1186 CB HIS A 81 -1.584 -5.117 -10.079 1.00 0.00 C ATOM 1187 CG HIS A 81 -1.692 -5.780 -11.418 1.00 0.00 C ATOM 1188 ND1 HIS A 81 -2.888 -5.938 -12.085 1.00 0.00 N ATOM 1189 CD2 HIS A 81 -0.743 -6.327 -12.213 1.00 0.00 C ATOM 1190 CE1 HIS A 81 -2.671 -6.554 -13.233 1.00 0.00 C ATOM 1191 NE2 HIS A 81 -1.378 -6.801 -13.335 1.00 0.00 N ATOM 0 H HIS A 81 -2.038 -3.879 -7.994 1.00 0.00 H new ATOM 0 HA HIS A 81 -3.633 -5.559 -9.603 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -1.636 -4.036 -10.212 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -0.606 -5.338 -9.651 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.315 -6.381 -12.004 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -3.423 -6.812 -13.964 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -0.924 -7.268 -14.120 1.00 0.00 H new ATOM 1199 N LEU A 82 -1.247 -7.118 -7.907 1.00 0.00 N ATOM 1200 CA LEU A 82 -0.852 -8.416 -7.370 1.00 0.00 C ATOM 1201 C LEU A 82 -1.989 -9.043 -6.568 1.00 0.00 C ATOM 1202 O LEU A 82 -2.447 -10.142 -6.877 1.00 0.00 O ATOM 1203 CB LEU A 82 0.388 -8.268 -6.488 1.00 0.00 C ATOM 1204 CG LEU A 82 1.602 -7.606 -7.140 1.00 0.00 C ATOM 1205 CD1 LEU A 82 2.549 -7.064 -6.082 1.00 0.00 C ATOM 1206 CD2 LEU A 82 2.322 -8.590 -8.050 1.00 0.00 C ATOM 0 H LEU A 82 -0.588 -6.364 -7.715 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.618 -9.073 -8.208 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.114 -7.689 -5.606 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.682 -9.258 -6.141 1.00 0.00 H new ATOM 0 HG LEU A 82 1.253 -6.770 -7.746 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.407 -6.597 -6.566 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.029 -6.325 -5.473 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.892 -7.881 -5.447 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.183 -8.101 -8.505 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.658 -9.447 -7.466 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.641 -8.928 -8.832 1.00 0.00 H new ATOM 1218 N ALA A 83 -2.441 -8.334 -5.539 1.00 0.00 N ATOM 1219 CA ALA A 83 -3.527 -8.818 -4.695 1.00 0.00 C ATOM 1220 C ALA A 83 -4.537 -9.621 -5.508 1.00 0.00 C ATOM 1221 O ALA A 83 -4.915 -10.728 -5.126 1.00 0.00 O ATOM 1222 CB ALA A 83 -4.213 -7.654 -3.998 1.00 0.00 C ATOM 0 H ALA A 83 -2.072 -7.422 -5.269 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.101 -9.478 -3.940 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.022 -8.030 -3.371 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.490 -7.124 -3.378 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.620 -6.972 -4.744 1.00 0.00 H new ATOM 1228 N GLU A 84 -4.969 -9.055 -6.631 1.00 0.00 N ATOM 1229 CA GLU A 84 -5.938 -9.718 -7.496 1.00 0.00 C ATOM 1230 C GLU A 84 -5.335 -10.971 -8.126 1.00 0.00 C ATOM 1231 O GLU A 84 -5.917 -12.053 -8.059 1.00 0.00 O ATOM 1232 CB GLU A 84 -6.415 -8.763 -8.591 1.00 0.00 C ATOM 1233 CG GLU A 84 -7.018 -7.475 -8.054 1.00 0.00 C ATOM 1234 CD GLU A 84 -7.626 -6.616 -9.147 1.00 0.00 C ATOM 1235 OE1 GLU A 84 -6.857 -6.041 -9.946 1.00 0.00 O ATOM 1236 OE2 GLU A 84 -8.870 -6.520 -9.202 1.00 0.00 O ATOM 0 H GLU A 84 -4.664 -8.140 -6.963 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.791 -10.013 -6.885 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.574 -8.518 -9.240 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.156 -9.272 -9.208 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.785 -7.716 -7.318 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.247 -6.905 -7.536 1.00 0.00 H new ATOM 1243 N GLU A 85 -4.166 -10.814 -8.739 1.00 0.00 N ATOM 1244 CA GLU A 85 -3.486 -11.933 -9.382 1.00 0.00 C ATOM 1245 C GLU A 85 -3.374 -13.122 -8.432 1.00 0.00 C ATOM 1246 O GLU A 85 -3.828 -14.223 -8.742 1.00 0.00 O ATOM 1247 CB GLU A 85 -2.093 -11.509 -9.851 1.00 0.00 C ATOM 1248 CG GLU A 85 -2.114 -10.501 -10.988 1.00 0.00 C ATOM 1249 CD GLU A 85 -2.211 -11.160 -12.351 1.00 0.00 C ATOM 1250 OE1 GLU A 85 -2.705 -12.304 -12.423 1.00 0.00 O ATOM 1251 OE2 GLU A 85 -1.792 -10.530 -13.345 1.00 0.00 O ATOM 0 H GLU A 85 -3.671 -9.925 -8.804 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.077 -12.236 -10.246 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.549 -11.082 -9.008 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.542 -12.393 -10.171 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.959 -9.826 -10.854 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -1.210 -9.893 -10.946 1.00 0.00 H new ATOM 1258 N LYS A 86 -2.767 -12.890 -7.274 1.00 0.00 N ATOM 1259 CA LYS A 86 -2.595 -13.940 -6.277 1.00 0.00 C ATOM 1260 C LYS A 86 -3.790 -14.888 -6.273 1.00 0.00 C ATOM 1261 O LYS A 86 -3.626 -16.107 -6.297 1.00 0.00 O ATOM 1262 CB LYS A 86 -2.413 -13.326 -4.886 1.00 0.00 C ATOM 1263 CG LYS A 86 -1.095 -12.592 -4.713 1.00 0.00 C ATOM 1264 CD LYS A 86 0.073 -13.558 -4.613 1.00 0.00 C ATOM 1265 CE LYS A 86 1.377 -12.903 -5.041 1.00 0.00 C ATOM 1266 NZ LYS A 86 2.427 -13.912 -5.357 1.00 0.00 N ATOM 0 H LYS A 86 -2.386 -11.984 -7.002 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.703 -14.510 -6.536 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.233 -12.634 -4.694 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.480 -14.116 -4.138 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.940 -11.918 -5.556 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.136 -11.975 -3.815 1.00 0.00 H new ATOM 0 HD2 LYS A 86 0.164 -13.916 -3.587 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.120 -14.430 -5.238 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.199 -12.278 -5.916 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.732 -12.246 -4.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.300 -13.426 -5.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.615 -14.493 -4.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.099 -14.523 -6.132 1.00 0.00 H new ATOM 1280 N GLN A 87 -4.991 -14.319 -6.245 1.00 0.00 N ATOM 1281 CA GLN A 87 -6.212 -15.115 -6.241 1.00 0.00 C ATOM 1282 C GLN A 87 -6.082 -16.319 -7.167 1.00 0.00 C ATOM 1283 O GLN A 87 -5.524 -16.218 -8.260 1.00 0.00 O ATOM 1284 CB GLN A 87 -7.407 -14.257 -6.664 1.00 0.00 C ATOM 1285 CG GLN A 87 -7.740 -13.149 -5.679 1.00 0.00 C ATOM 1286 CD GLN A 87 -8.659 -12.099 -6.271 1.00 0.00 C ATOM 1287 OE1 GLN A 87 -8.596 -10.886 -5.733 1.00 0.00 O flip ATOM 1288 NE2 GLN A 87 -9.417 -12.373 -7.201 1.00 0.00 N flip ATOM 0 H GLN A 87 -5.144 -13.311 -6.225 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.375 -15.478 -5.226 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -7.199 -13.815 -7.638 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -8.280 -14.899 -6.785 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -8.210 -13.582 -4.796 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -6.817 -12.673 -5.347 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -9.433 -13.318 -7.584 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -10.029 -11.655 -7.588 1.00 0.00 H new ATOM 1297 N THR A 88 -6.600 -17.461 -6.723 1.00 0.00 N ATOM 1298 CA THR A 88 -6.540 -18.685 -7.510 1.00 0.00 C ATOM 1299 C THR A 88 -7.862 -18.945 -8.223 1.00 0.00 C ATOM 1300 O THR A 88 -8.885 -19.191 -7.584 1.00 0.00 O ATOM 1301 CB THR A 88 -6.194 -19.901 -6.632 1.00 0.00 C ATOM 1302 OG1 THR A 88 -4.974 -19.664 -5.923 1.00 0.00 O ATOM 1303 CG2 THR A 88 -6.058 -21.159 -7.478 1.00 0.00 C ATOM 0 H THR A 88 -7.066 -17.562 -5.821 1.00 0.00 H new ATOM 0 HA THR A 88 -5.752 -18.547 -8.251 1.00 0.00 H new ATOM 0 HB THR A 88 -7.005 -20.047 -5.919 1.00 0.00 H new ATOM 0 HG1 THR A 88 -4.763 -20.442 -5.366 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.813 -22.005 -6.836 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.999 -21.355 -7.993 1.00 0.00 H new ATOM 0 HG23 THR A 88 -5.265 -21.020 -8.212 1.00 0.00 H new ATOM 1311 N LYS A 89 -7.834 -18.891 -9.550 1.00 0.00 N ATOM 1312 CA LYS A 89 -9.030 -19.124 -10.351 1.00 0.00 C ATOM 1313 C LYS A 89 -9.867 -20.254 -9.763 1.00 0.00 C ATOM 1314 O LYS A 89 -9.336 -21.174 -9.141 1.00 0.00 O ATOM 1315 CB LYS A 89 -8.645 -19.457 -11.795 1.00 0.00 C ATOM 1316 CG LYS A 89 -9.693 -19.043 -12.814 1.00 0.00 C ATOM 1317 CD LYS A 89 -10.680 -20.165 -13.086 1.00 0.00 C ATOM 1318 CE LYS A 89 -11.601 -19.828 -14.249 1.00 0.00 C ATOM 1319 NZ LYS A 89 -12.720 -18.939 -13.830 1.00 0.00 N ATOM 0 H LYS A 89 -6.995 -18.688 -10.094 1.00 0.00 H new ATOM 0 HA LYS A 89 -9.627 -18.212 -10.342 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -7.703 -18.964 -12.034 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -8.473 -20.530 -11.878 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.229 -18.166 -12.450 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.203 -18.754 -13.744 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.136 -21.084 -13.306 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.275 -20.352 -12.192 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -11.027 -19.342 -15.038 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -12.006 -20.748 -14.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.325 -18.732 -14.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -13.283 -19.413 -13.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -12.334 -18.050 -13.452 1.00 0.00 H new ATOM 1333 N SER A 90 -11.179 -20.180 -9.965 1.00 0.00 N ATOM 1334 CA SER A 90 -12.090 -21.197 -9.453 1.00 0.00 C ATOM 1335 C SER A 90 -11.690 -22.584 -9.948 1.00 0.00 C ATOM 1336 O SER A 90 -11.289 -22.753 -11.098 1.00 0.00 O ATOM 1337 CB SER A 90 -13.527 -20.885 -9.878 1.00 0.00 C ATOM 1338 OG SER A 90 -13.984 -19.682 -9.286 1.00 0.00 O ATOM 0 H SER A 90 -11.635 -19.426 -10.480 1.00 0.00 H new ATOM 0 HA SER A 90 -12.031 -21.188 -8.365 1.00 0.00 H new ATOM 0 HB2 SER A 90 -13.579 -20.802 -10.964 1.00 0.00 H new ATOM 0 HB3 SER A 90 -14.182 -21.707 -9.590 1.00 0.00 H new ATOM 0 HG SER A 90 -14.904 -19.504 -9.575 1.00 0.00 H new ATOM 1344 N GLY A 91 -11.804 -23.575 -9.069 1.00 0.00 N ATOM 1345 CA GLY A 91 -11.451 -24.934 -9.434 1.00 0.00 C ATOM 1346 C GLY A 91 -11.279 -25.834 -8.226 1.00 0.00 C ATOM 1347 O GLY A 91 -11.830 -25.580 -7.153 1.00 0.00 O ATOM 0 H GLY A 91 -12.135 -23.461 -8.111 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -12.225 -25.345 -10.082 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -10.526 -24.923 -10.010 1.00 0.00 H new ATOM 1351 N PRO A 92 -10.500 -26.912 -8.391 1.00 0.00 N ATOM 1352 CA PRO A 92 -10.242 -27.875 -7.317 1.00 0.00 C ATOM 1353 C PRO A 92 -9.365 -27.290 -6.214 1.00 0.00 C ATOM 1354 O PRO A 92 -8.629 -26.328 -6.437 1.00 0.00 O ATOM 1355 CB PRO A 92 -9.513 -29.016 -8.030 1.00 0.00 C ATOM 1356 CG PRO A 92 -8.881 -28.378 -9.218 1.00 0.00 C ATOM 1357 CD PRO A 92 -9.813 -27.277 -9.641 1.00 0.00 C ATOM 0 HA PRO A 92 -11.160 -28.184 -6.818 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -8.766 -29.474 -7.382 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -10.205 -29.805 -8.325 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.896 -27.982 -8.971 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -8.741 -29.101 -10.021 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -9.270 -26.431 -10.063 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -10.516 -27.616 -10.402 1.00 0.00 H new ATOM 1365 N SER A 93 -9.447 -27.877 -5.025 1.00 0.00 N ATOM 1366 CA SER A 93 -8.663 -27.412 -3.886 1.00 0.00 C ATOM 1367 C SER A 93 -7.584 -28.427 -3.518 1.00 0.00 C ATOM 1368 O SER A 93 -7.817 -29.636 -3.550 1.00 0.00 O ATOM 1369 CB SER A 93 -9.573 -27.158 -2.683 1.00 0.00 C ATOM 1370 OG SER A 93 -10.120 -28.370 -2.192 1.00 0.00 O ATOM 0 H SER A 93 -10.049 -28.676 -4.825 1.00 0.00 H new ATOM 0 HA SER A 93 -8.177 -26.478 -4.168 1.00 0.00 H new ATOM 0 HB2 SER A 93 -9.007 -26.664 -1.893 1.00 0.00 H new ATOM 0 HB3 SER A 93 -10.378 -26.481 -2.969 1.00 0.00 H new ATOM 0 HG SER A 93 -10.696 -28.181 -1.422 1.00 0.00 H new ATOM 1376 N SER A 94 -6.405 -27.926 -3.167 1.00 0.00 N ATOM 1377 CA SER A 94 -5.288 -28.787 -2.796 1.00 0.00 C ATOM 1378 C SER A 94 -4.165 -27.977 -2.157 1.00 0.00 C ATOM 1379 O SER A 94 -3.663 -27.020 -2.746 1.00 0.00 O ATOM 1380 CB SER A 94 -4.761 -29.532 -4.024 1.00 0.00 C ATOM 1381 OG SER A 94 -4.204 -28.631 -4.966 1.00 0.00 O ATOM 0 H SER A 94 -6.198 -26.928 -3.132 1.00 0.00 H new ATOM 0 HA SER A 94 -5.648 -29.513 -2.067 1.00 0.00 H new ATOM 0 HB2 SER A 94 -4.006 -30.256 -3.718 1.00 0.00 H new ATOM 0 HB3 SER A 94 -5.572 -30.094 -4.488 1.00 0.00 H new ATOM 0 HG SER A 94 -3.795 -27.875 -4.494 1.00 0.00 H new ATOM 1387 N GLY A 95 -3.776 -28.368 -0.947 1.00 0.00 N ATOM 1388 CA GLY A 95 -2.715 -27.667 -0.247 1.00 0.00 C ATOM 1389 C GLY A 95 -1.371 -27.817 -0.932 1.00 0.00 C ATOM 1390 O GLY A 95 -1.299 -27.912 -2.157 1.00 0.00 O ATOM 0 H GLY A 95 -4.176 -29.157 -0.439 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -2.967 -26.609 -0.177 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -2.644 -28.046 0.772 1.00 0.00 H new TER 1394 GLY A 95