USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 665 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 21 THR OG1 : rot 180:sc= 0.216 USER MOD Set 1.2: A 70 THR OG1 : rot -108:sc= -0.0753 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 13 HIS : no HD1:sc= -0.0677 X(o=-0.068,f=-0.078) USER MOD Single : A 18 THR OG1 : rot -11:sc= 0.989 USER MOD Single : A 19 SER OG : rot 95:sc= 1.28 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 165:sc= -0.456 USER MOD Single : A 30 MET CE :methyl -153:sc= -3.97! (180deg=-4.53!) USER MOD Single : A 41 GLN :FLIP amide:sc= -0.296 F(o=-0.98!,f=-0.3) USER MOD Single : A 43 ASN : amide:sc= -0.0341 K(o=-0.034,f=-0.71) USER MOD Single : A 44 LYS NZ :NH3+ -178:sc= 1.11 (180deg=1.05) USER MOD Single : A 46 GLN : amide:sc= -0.996 K(o=-1,f=-6.4!) USER MOD Single : A 47 GLN : amide:sc= 0.627 K(o=0.63,f=0) USER MOD Single : A 49 SER OG : rot -82:sc= 1.16 USER MOD Single : A 51 CYS SG : rot -13:sc= -0.7 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN :FLIP amide:sc= -0.565 F(o=-1.1,f=-0.56) USER MOD Single : A 56 SER OG : rot -103:sc= 0.0441 USER MOD Single : A 59 SER OG : rot 130:sc= -2.2! USER MOD Single : A 66 SER OG : rot -85:sc= 0.43 USER MOD Single : A 68 SER OG : rot -39:sc= 1.25 USER MOD Single : A 75 SER OG : rot 141:sc= 0.741 USER MOD Single : A 77 GLN : amide:sc= 0.854 K(o=0.85,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -138:sc= 1.24 (180deg=1.11) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -169:sc= 0 (180deg=-0.152) USER MOD Single : A 88 SER OG : rot 12:sc= 0.541 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 5 18.769 4.535 5.382 1.00 0.00 N ATOM 2 CA ILE A 5 18.067 3.263 5.300 1.00 0.00 C ATOM 3 C ILE A 5 16.592 3.512 4.990 1.00 0.00 C ATOM 4 O ILE A 5 15.723 3.422 5.860 1.00 0.00 O ATOM 5 CB ILE A 5 18.207 2.450 6.609 1.00 0.00 C ATOM 6 CG1 ILE A 5 19.686 2.304 6.994 1.00 0.00 C ATOM 7 CG2 ILE A 5 17.563 1.075 6.459 1.00 0.00 C ATOM 8 CD1 ILE A 5 20.525 1.610 5.941 1.00 0.00 C ATOM 0 HA ILE A 5 18.517 2.677 4.499 1.00 0.00 H new ATOM 0 HB ILE A 5 17.691 2.989 7.403 1.00 0.00 H new ATOM 0 HG12 ILE A 5 20.102 3.294 7.183 1.00 0.00 H new ATOM 0 HG13 ILE A 5 19.756 1.745 7.927 1.00 0.00 H new ATOM 0 HG21 ILE A 5 17.672 0.519 7.390 1.00 0.00 H new ATOM 0 HG22 ILE A 5 16.504 1.192 6.228 1.00 0.00 H new ATOM 0 HG23 ILE A 5 18.052 0.530 5.651 1.00 0.00 H new ATOM 0 HD11 ILE A 5 21.558 1.544 6.284 1.00 0.00 H new ATOM 0 HD12 ILE A 5 20.135 0.607 5.768 1.00 0.00 H new ATOM 0 HD13 ILE A 5 20.487 2.179 5.012 1.00 0.00 H new ATOM 20 N SER A 6 16.333 3.870 3.746 1.00 0.00 N ATOM 21 CA SER A 6 14.986 4.152 3.282 1.00 0.00 C ATOM 22 C SER A 6 14.893 3.890 1.782 1.00 0.00 C ATOM 23 O SER A 6 15.815 3.305 1.205 1.00 0.00 O ATOM 24 CB SER A 6 14.621 5.602 3.612 1.00 0.00 C ATOM 25 OG SER A 6 15.720 6.468 3.377 1.00 0.00 O ATOM 0 H SER A 6 17.050 3.974 3.028 1.00 0.00 H new ATOM 0 HA SER A 6 14.277 3.496 3.788 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.771 5.914 3.005 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.312 5.675 4.655 1.00 0.00 H new ATOM 0 HG SER A 6 15.463 7.389 3.593 1.00 0.00 H new ATOM 31 N SER A 7 13.781 4.304 1.170 1.00 0.00 N ATOM 32 CA SER A 7 13.551 4.139 -0.267 1.00 0.00 C ATOM 33 C SER A 7 13.247 2.680 -0.610 1.00 0.00 C ATOM 34 O SER A 7 12.113 2.341 -0.937 1.00 0.00 O ATOM 35 CB SER A 7 14.745 4.658 -1.086 1.00 0.00 C ATOM 36 OG SER A 7 14.485 4.592 -2.476 1.00 0.00 O ATOM 0 H SER A 7 13.013 4.764 1.658 1.00 0.00 H new ATOM 0 HA SER A 7 12.679 4.737 -0.533 1.00 0.00 H new ATOM 0 HB2 SER A 7 14.962 5.688 -0.803 1.00 0.00 H new ATOM 0 HB3 SER A 7 15.632 4.070 -0.852 1.00 0.00 H new ATOM 0 HG SER A 7 15.261 4.930 -2.970 1.00 0.00 H new ATOM 42 N GLN A 8 14.244 1.813 -0.501 1.00 0.00 N ATOM 43 CA GLN A 8 14.080 0.412 -0.852 1.00 0.00 C ATOM 44 C GLN A 8 15.096 -0.454 -0.119 1.00 0.00 C ATOM 45 O GLN A 8 16.241 -0.048 0.098 1.00 0.00 O ATOM 46 CB GLN A 8 14.207 0.209 -2.366 1.00 0.00 C ATOM 47 CG GLN A 8 15.552 0.627 -2.937 1.00 0.00 C ATOM 48 CD GLN A 8 15.627 0.429 -4.438 1.00 0.00 C ATOM 49 OE1 GLN A 8 14.976 -0.455 -4.996 1.00 0.00 O ATOM 50 NE2 GLN A 8 16.426 1.243 -5.104 1.00 0.00 N ATOM 0 H GLN A 8 15.178 2.058 -0.171 1.00 0.00 H new ATOM 0 HA GLN A 8 13.080 0.107 -0.545 1.00 0.00 H new ATOM 0 HB2 GLN A 8 14.038 -0.843 -2.596 1.00 0.00 H new ATOM 0 HB3 GLN A 8 13.421 0.775 -2.865 1.00 0.00 H new ATOM 0 HG2 GLN A 8 15.734 1.676 -2.702 1.00 0.00 H new ATOM 0 HG3 GLN A 8 16.343 0.051 -2.457 1.00 0.00 H new ATOM 0 HE21 GLN A 8 16.949 1.964 -4.607 1.00 0.00 H new ATOM 0 HE22 GLN A 8 16.520 1.151 -6.116 1.00 0.00 H new ATOM 59 N LEU A 9 14.655 -1.638 0.266 1.00 0.00 N ATOM 60 CA LEU A 9 15.479 -2.597 0.973 1.00 0.00 C ATOM 61 C LEU A 9 15.301 -3.986 0.371 1.00 0.00 C ATOM 62 O LEU A 9 14.318 -4.683 0.646 1.00 0.00 O ATOM 63 CB LEU A 9 15.110 -2.627 2.460 1.00 0.00 C ATOM 64 CG LEU A 9 15.387 -1.335 3.233 1.00 0.00 C ATOM 65 CD1 LEU A 9 14.879 -1.448 4.660 1.00 0.00 C ATOM 66 CD2 LEU A 9 16.875 -1.018 3.227 1.00 0.00 C ATOM 0 H LEU A 9 13.704 -1.963 0.094 1.00 0.00 H new ATOM 0 HA LEU A 9 16.522 -2.294 0.875 1.00 0.00 H new ATOM 0 HB2 LEU A 9 14.050 -2.863 2.549 1.00 0.00 H new ATOM 0 HB3 LEU A 9 15.658 -3.440 2.936 1.00 0.00 H new ATOM 0 HG LEU A 9 14.856 -0.521 2.739 1.00 0.00 H new ATOM 0 HD11 LEU A 9 15.085 -0.520 5.194 1.00 0.00 H new ATOM 0 HD12 LEU A 9 13.804 -1.630 4.650 1.00 0.00 H new ATOM 0 HD13 LEU A 9 15.383 -2.274 5.161 1.00 0.00 H new ATOM 0 HD21 LEU A 9 17.053 -0.096 3.781 1.00 0.00 H new ATOM 0 HD22 LEU A 9 17.423 -1.835 3.696 1.00 0.00 H new ATOM 0 HD23 LEU A 9 17.217 -0.895 2.199 1.00 0.00 H new ATOM 78 N GLY A 10 16.238 -4.358 -0.484 1.00 0.00 N ATOM 79 CA GLY A 10 16.281 -5.706 -1.017 1.00 0.00 C ATOM 80 C GLY A 10 17.708 -6.166 -1.218 1.00 0.00 C ATOM 81 O GLY A 10 18.151 -6.335 -2.354 1.00 0.00 O ATOM 0 H GLY A 10 16.979 -3.744 -0.823 1.00 0.00 H new ATOM 0 HA2 GLY A 10 15.769 -6.386 -0.336 1.00 0.00 H new ATOM 0 HA3 GLY A 10 15.747 -5.742 -1.966 1.00 0.00 H new ATOM 85 N PRO A 11 18.470 -6.353 -0.126 1.00 0.00 N ATOM 86 CA PRO A 11 19.873 -6.765 -0.196 1.00 0.00 C ATOM 87 C PRO A 11 20.012 -8.260 -0.446 1.00 0.00 C ATOM 88 O PRO A 11 21.099 -8.756 -0.748 1.00 0.00 O ATOM 89 CB PRO A 11 20.433 -6.403 1.191 1.00 0.00 C ATOM 90 CG PRO A 11 19.315 -5.733 1.928 1.00 0.00 C ATOM 91 CD PRO A 11 18.045 -6.178 1.266 1.00 0.00 C ATOM 0 HA PRO A 11 20.399 -6.278 -1.017 1.00 0.00 H new ATOM 0 HB2 PRO A 11 20.770 -7.294 1.720 1.00 0.00 H new ATOM 0 HB3 PRO A 11 21.294 -5.740 1.103 1.00 0.00 H new ATOM 0 HG2 PRO A 11 19.322 -6.012 2.982 1.00 0.00 H new ATOM 0 HG3 PRO A 11 19.416 -4.649 1.885 1.00 0.00 H new ATOM 0 HD2 PRO A 11 17.664 -7.105 1.696 1.00 0.00 H new ATOM 0 HD3 PRO A 11 17.254 -5.434 1.360 1.00 0.00 H new ATOM 99 N ILE A 12 18.903 -8.974 -0.316 1.00 0.00 N ATOM 100 CA ILE A 12 18.881 -10.410 -0.525 1.00 0.00 C ATOM 101 C ILE A 12 17.830 -10.779 -1.566 1.00 0.00 C ATOM 102 O ILE A 12 16.860 -10.048 -1.768 1.00 0.00 O ATOM 103 CB ILE A 12 18.607 -11.176 0.788 1.00 0.00 C ATOM 104 CG1 ILE A 12 17.320 -10.672 1.450 1.00 0.00 C ATOM 105 CG2 ILE A 12 19.791 -11.040 1.737 1.00 0.00 C ATOM 106 CD1 ILE A 12 16.982 -11.394 2.736 1.00 0.00 C ATOM 0 H ILE A 12 17.999 -8.575 -0.064 1.00 0.00 H new ATOM 0 HA ILE A 12 19.868 -10.701 -0.886 1.00 0.00 H new ATOM 0 HB ILE A 12 18.474 -12.232 0.551 1.00 0.00 H new ATOM 0 HG12 ILE A 12 17.420 -9.606 1.656 1.00 0.00 H new ATOM 0 HG13 ILE A 12 16.492 -10.785 0.750 1.00 0.00 H new ATOM 0 HG21 ILE A 12 19.584 -11.585 2.658 1.00 0.00 H new ATOM 0 HG22 ILE A 12 20.684 -11.451 1.266 1.00 0.00 H new ATOM 0 HG23 ILE A 12 19.954 -9.987 1.967 1.00 0.00 H new ATOM 0 HD11 ILE A 12 16.060 -10.987 3.150 1.00 0.00 H new ATOM 0 HD12 ILE A 12 16.850 -12.457 2.533 1.00 0.00 H new ATOM 0 HD13 ILE A 12 17.792 -11.259 3.453 1.00 0.00 H new ATOM 118 N HIS A 13 18.039 -11.914 -2.217 1.00 0.00 N ATOM 119 CA HIS A 13 17.216 -12.331 -3.349 1.00 0.00 C ATOM 120 C HIS A 13 15.968 -13.172 -2.969 1.00 0.00 C ATOM 121 O HIS A 13 15.057 -13.259 -3.792 1.00 0.00 O ATOM 122 CB HIS A 13 18.085 -13.108 -4.346 1.00 0.00 C ATOM 123 CG HIS A 13 17.382 -13.479 -5.619 1.00 0.00 C ATOM 124 ND1 HIS A 13 16.977 -14.761 -5.904 1.00 0.00 N ATOM 125 CD2 HIS A 13 17.014 -12.727 -6.681 1.00 0.00 C ATOM 126 CE1 HIS A 13 16.388 -14.782 -7.082 1.00 0.00 C ATOM 127 NE2 HIS A 13 16.392 -13.560 -7.578 1.00 0.00 N ATOM 0 H HIS A 13 18.781 -12.572 -1.978 1.00 0.00 H new ATOM 0 HA HIS A 13 16.825 -11.416 -3.793 1.00 0.00 H new ATOM 0 HB2 HIS A 13 18.962 -12.508 -4.590 1.00 0.00 H new ATOM 0 HB3 HIS A 13 18.445 -14.017 -3.865 1.00 0.00 H new ATOM 0 HD2 HIS A 13 17.179 -11.666 -6.801 1.00 0.00 H new ATOM 0 HE1 HIS A 13 15.971 -15.655 -7.562 1.00 0.00 H new ATOM 0 HE2 HIS A 13 15.999 -13.281 -8.477 1.00 0.00 H new ATOM 136 N PRO A 14 15.907 -13.856 -1.782 1.00 0.00 N ATOM 137 CA PRO A 14 14.698 -14.572 -1.337 1.00 0.00 C ATOM 138 C PRO A 14 13.380 -13.810 -1.577 1.00 0.00 C ATOM 139 O PRO A 14 13.394 -12.622 -1.888 1.00 0.00 O ATOM 140 CB PRO A 14 14.904 -14.745 0.170 1.00 0.00 C ATOM 141 CG PRO A 14 16.349 -14.511 0.444 1.00 0.00 C ATOM 142 CD PRO A 14 17.012 -14.084 -0.839 1.00 0.00 C ATOM 0 HA PRO A 14 14.591 -15.499 -1.900 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.287 -14.039 0.727 1.00 0.00 H new ATOM 0 HB3 PRO A 14 14.609 -15.745 0.487 1.00 0.00 H new ATOM 0 HG2 PRO A 14 16.471 -13.743 1.208 1.00 0.00 H new ATOM 0 HG3 PRO A 14 16.814 -15.419 0.828 1.00 0.00 H new ATOM 0 HD2 PRO A 14 17.602 -13.179 -0.696 1.00 0.00 H new ATOM 0 HD3 PRO A 14 17.692 -14.853 -1.206 1.00 0.00 H new ATOM 150 N PRO A 15 12.223 -14.490 -1.416 1.00 0.00 N ATOM 151 CA PRO A 15 10.886 -13.888 -1.592 1.00 0.00 C ATOM 152 C PRO A 15 10.746 -12.470 -1.008 1.00 0.00 C ATOM 153 O PRO A 15 11.483 -12.079 -0.094 1.00 0.00 O ATOM 154 CB PRO A 15 9.988 -14.862 -0.833 1.00 0.00 C ATOM 155 CG PRO A 15 10.641 -16.187 -1.017 1.00 0.00 C ATOM 156 CD PRO A 15 12.125 -15.923 -1.068 1.00 0.00 C ATOM 0 HA PRO A 15 10.646 -13.756 -2.647 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.917 -14.597 0.222 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.973 -14.860 -1.231 1.00 0.00 H new ATOM 0 HG2 PRO A 15 10.394 -16.860 -0.196 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.299 -16.665 -1.935 1.00 0.00 H new ATOM 0 HD2 PRO A 15 12.601 -16.134 -0.110 1.00 0.00 H new ATOM 0 HD3 PRO A 15 12.616 -16.549 -1.813 1.00 0.00 H new ATOM 164 N PRO A 16 9.767 -11.692 -1.521 1.00 0.00 N ATOM 165 CA PRO A 16 9.560 -10.279 -1.151 1.00 0.00 C ATOM 166 C PRO A 16 9.113 -10.064 0.301 1.00 0.00 C ATOM 167 O PRO A 16 8.439 -9.079 0.613 1.00 0.00 O ATOM 168 CB PRO A 16 8.468 -9.808 -2.114 1.00 0.00 C ATOM 169 CG PRO A 16 7.768 -11.040 -2.549 1.00 0.00 C ATOM 170 CD PRO A 16 8.790 -12.139 -2.529 1.00 0.00 C ATOM 0 HA PRO A 16 10.497 -9.726 -1.223 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.781 -9.119 -1.622 1.00 0.00 H new ATOM 0 HB3 PRO A 16 8.896 -9.278 -2.965 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.937 -11.270 -1.882 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.350 -10.917 -3.548 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.344 -13.095 -2.257 1.00 0.00 H new ATOM 0 HD3 PRO A 16 9.255 -12.271 -3.506 1.00 0.00 H new ATOM 178 N ARG A 17 9.512 -10.979 1.176 1.00 0.00 N ATOM 179 CA ARG A 17 9.296 -10.842 2.610 1.00 0.00 C ATOM 180 C ARG A 17 10.248 -9.785 3.150 1.00 0.00 C ATOM 181 O ARG A 17 9.992 -9.149 4.169 1.00 0.00 O ATOM 182 CB ARG A 17 9.581 -12.172 3.312 1.00 0.00 C ATOM 183 CG ARG A 17 8.878 -13.364 2.691 1.00 0.00 C ATOM 184 CD ARG A 17 9.435 -14.672 3.235 1.00 0.00 C ATOM 185 NE ARG A 17 8.803 -15.835 2.618 1.00 0.00 N ATOM 186 CZ ARG A 17 9.213 -17.089 2.796 1.00 0.00 C ATOM 187 NH1 ARG A 17 10.244 -17.350 3.590 1.00 0.00 N ATOM 188 NH2 ARG A 17 8.583 -18.082 2.184 1.00 0.00 N ATOM 0 H ARG A 17 9.995 -11.837 0.911 1.00 0.00 H new ATOM 0 HA ARG A 17 8.261 -10.553 2.794 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.656 -12.352 3.302 1.00 0.00 H new ATOM 0 HB3 ARG A 17 9.281 -12.091 4.357 1.00 0.00 H new ATOM 0 HG2 ARG A 17 7.809 -13.307 2.896 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.997 -13.337 1.608 1.00 0.00 H new ATOM 0 HD2 ARG A 17 10.510 -14.709 3.060 1.00 0.00 H new ATOM 0 HD3 ARG A 17 9.286 -14.708 4.314 1.00 0.00 H new ATOM 0 HE ARG A 17 7.997 -15.677 2.013 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.726 -16.588 4.067 1.00 0.00 H new ATOM 0 HH12 ARG A 17 10.554 -18.312 3.723 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.786 -17.884 1.579 1.00 0.00 H new ATOM 0 HH22 ARG A 17 8.895 -19.044 2.319 1.00 0.00 H new ATOM 202 N THR A 18 11.365 -9.634 2.450 1.00 0.00 N ATOM 203 CA THR A 18 12.399 -8.686 2.827 1.00 0.00 C ATOM 204 C THR A 18 13.272 -8.339 1.615 1.00 0.00 C ATOM 205 O THR A 18 14.314 -7.698 1.741 1.00 0.00 O ATOM 206 CB THR A 18 13.263 -9.268 3.975 1.00 0.00 C ATOM 207 OG1 THR A 18 14.405 -8.441 4.235 1.00 0.00 O ATOM 208 CG2 THR A 18 13.707 -10.686 3.644 1.00 0.00 C ATOM 0 H THR A 18 11.577 -10.166 1.606 1.00 0.00 H new ATOM 0 HA THR A 18 11.925 -7.770 3.180 1.00 0.00 H new ATOM 0 HB THR A 18 12.648 -9.292 4.875 1.00 0.00 H new ATOM 0 HG1 THR A 18 14.498 -7.778 3.520 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.312 -11.078 4.461 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.830 -11.319 3.506 1.00 0.00 H new ATOM 0 HG23 THR A 18 14.297 -10.678 2.727 1.00 0.00 H new ATOM 216 N SER A 19 12.829 -8.768 0.437 1.00 0.00 N ATOM 217 CA SER A 19 13.550 -8.495 -0.800 1.00 0.00 C ATOM 218 C SER A 19 12.899 -7.348 -1.549 1.00 0.00 C ATOM 219 O SER A 19 13.469 -6.788 -2.484 1.00 0.00 O ATOM 220 CB SER A 19 13.573 -9.746 -1.675 1.00 0.00 C ATOM 221 OG SER A 19 14.435 -9.588 -2.788 1.00 0.00 O ATOM 0 H SER A 19 11.972 -9.307 0.314 1.00 0.00 H new ATOM 0 HA SER A 19 14.574 -8.213 -0.554 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.898 -10.600 -1.081 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.564 -9.965 -2.024 1.00 0.00 H new ATOM 0 HG SER A 19 15.315 -9.965 -2.577 1.00 0.00 H new ATOM 227 N MET A 20 11.705 -6.989 -1.118 1.00 0.00 N ATOM 228 CA MET A 20 10.938 -5.964 -1.790 1.00 0.00 C ATOM 229 C MET A 20 10.357 -5.002 -0.787 1.00 0.00 C ATOM 230 O MET A 20 9.252 -4.496 -0.973 1.00 0.00 O ATOM 231 CB MET A 20 9.817 -6.590 -2.608 1.00 0.00 C ATOM 232 CG MET A 20 10.307 -7.411 -3.779 1.00 0.00 C ATOM 233 SD MET A 20 10.884 -6.393 -5.150 1.00 0.00 S ATOM 234 CE MET A 20 11.402 -7.658 -6.308 1.00 0.00 C ATOM 0 H MET A 20 11.246 -7.395 -0.303 1.00 0.00 H new ATOM 0 HA MET A 20 11.605 -5.421 -2.459 1.00 0.00 H new ATOM 0 HB2 MET A 20 9.214 -7.224 -1.958 1.00 0.00 H new ATOM 0 HB3 MET A 20 9.163 -5.800 -2.977 1.00 0.00 H new ATOM 0 HG2 MET A 20 11.117 -8.061 -3.448 1.00 0.00 H new ATOM 0 HG3 MET A 20 9.501 -8.058 -4.126 1.00 0.00 H new ATOM 0 HE1 MET A 20 11.786 -7.187 -7.213 1.00 0.00 H new ATOM 0 HE2 MET A 20 12.185 -8.267 -5.856 1.00 0.00 H new ATOM 0 HE3 MET A 20 10.551 -8.290 -6.561 1.00 0.00 H new ATOM 244 N THR A 21 11.090 -4.751 0.284 1.00 0.00 N ATOM 245 CA THR A 21 10.627 -3.807 1.268 1.00 0.00 C ATOM 246 C THR A 21 10.917 -2.407 0.760 1.00 0.00 C ATOM 247 O THR A 21 12.063 -2.012 0.643 1.00 0.00 O ATOM 248 CB THR A 21 11.317 -4.040 2.628 1.00 0.00 C ATOM 249 OG1 THR A 21 11.051 -5.375 3.084 1.00 0.00 O ATOM 250 CG2 THR A 21 10.836 -3.039 3.669 1.00 0.00 C ATOM 0 H THR A 21 11.992 -5.183 0.487 1.00 0.00 H new ATOM 0 HA THR A 21 9.556 -3.937 1.420 1.00 0.00 H new ATOM 0 HB THR A 21 12.390 -3.903 2.492 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.492 -5.520 3.947 1.00 0.00 H new ATOM 0 HG21 THR A 21 11.340 -3.229 4.617 1.00 0.00 H new ATOM 0 HG22 THR A 21 11.063 -2.027 3.333 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.759 -3.143 3.804 1.00 0.00 H new ATOM 258 N GLU A 22 9.881 -1.664 0.447 1.00 0.00 N ATOM 259 CA GLU A 22 10.062 -0.337 -0.098 1.00 0.00 C ATOM 260 C GLU A 22 9.608 0.686 0.919 1.00 0.00 C ATOM 261 O GLU A 22 8.456 0.678 1.342 1.00 0.00 O ATOM 262 CB GLU A 22 9.292 -0.200 -1.418 1.00 0.00 C ATOM 263 CG GLU A 22 9.598 1.078 -2.188 1.00 0.00 C ATOM 264 CD GLU A 22 9.316 0.942 -3.673 1.00 0.00 C ATOM 265 OE1 GLU A 22 9.988 0.121 -4.338 1.00 0.00 O ATOM 266 OE2 GLU A 22 8.427 1.644 -4.186 1.00 0.00 O ATOM 0 H GLU A 22 8.909 -1.953 0.559 1.00 0.00 H new ATOM 0 HA GLU A 22 11.117 -0.164 -0.313 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.523 -1.057 -2.051 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.223 -0.238 -1.208 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.002 1.895 -1.781 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.645 1.344 -2.043 1.00 0.00 H new ATOM 273 N GLU A 23 10.526 1.535 1.340 1.00 0.00 N ATOM 274 CA GLU A 23 10.201 2.549 2.315 1.00 0.00 C ATOM 275 C GLU A 23 9.900 3.840 1.576 1.00 0.00 C ATOM 276 O GLU A 23 10.804 4.543 1.121 1.00 0.00 O ATOM 277 CB GLU A 23 11.357 2.724 3.300 1.00 0.00 C ATOM 278 CG GLU A 23 11.015 3.573 4.509 1.00 0.00 C ATOM 279 CD GLU A 23 9.980 2.930 5.415 1.00 0.00 C ATOM 280 OE1 GLU A 23 9.781 1.698 5.326 1.00 0.00 O ATOM 281 OE2 GLU A 23 9.367 3.659 6.225 1.00 0.00 O ATOM 0 H GLU A 23 11.495 1.540 1.023 1.00 0.00 H new ATOM 0 HA GLU A 23 9.326 2.255 2.894 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.683 1.741 3.640 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.200 3.177 2.778 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.923 3.762 5.082 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.643 4.541 4.172 1.00 0.00 H new ATOM 288 N TYR A 24 8.623 4.142 1.478 1.00 0.00 N ATOM 289 CA TYR A 24 8.142 5.170 0.581 1.00 0.00 C ATOM 290 C TYR A 24 8.060 6.526 1.262 1.00 0.00 C ATOM 291 O TYR A 24 7.330 6.706 2.234 1.00 0.00 O ATOM 292 CB TYR A 24 6.769 4.775 0.042 1.00 0.00 C ATOM 293 CG TYR A 24 6.692 4.807 -1.464 1.00 0.00 C ATOM 294 CD1 TYR A 24 6.932 5.980 -2.163 1.00 0.00 C ATOM 295 CD2 TYR A 24 6.400 3.660 -2.186 1.00 0.00 C ATOM 296 CE1 TYR A 24 6.877 6.011 -3.540 1.00 0.00 C ATOM 297 CE2 TYR A 24 6.345 3.682 -3.565 1.00 0.00 C ATOM 298 CZ TYR A 24 6.585 4.858 -4.238 1.00 0.00 C ATOM 299 OH TYR A 24 6.534 4.882 -5.611 1.00 0.00 O ATOM 0 H TYR A 24 7.890 3.682 2.018 1.00 0.00 H new ATOM 0 HA TYR A 24 8.854 5.258 -0.240 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.523 3.772 0.391 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.017 5.449 0.453 1.00 0.00 H new ATOM 0 HD1 TYR A 24 7.166 6.884 -1.620 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.213 2.735 -1.661 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.062 6.934 -4.070 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.115 2.780 -4.113 1.00 0.00 H new ATOM 0 HH TYR A 24 6.557 3.965 -5.955 1.00 0.00 H new ATOM 309 N ARG A 25 8.822 7.470 0.736 1.00 0.00 N ATOM 310 CA ARG A 25 8.787 8.842 1.207 1.00 0.00 C ATOM 311 C ARG A 25 7.616 9.574 0.572 1.00 0.00 C ATOM 312 O ARG A 25 7.577 9.767 -0.642 1.00 0.00 O ATOM 313 CB ARG A 25 10.097 9.537 0.864 1.00 0.00 C ATOM 314 CG ARG A 25 11.295 8.931 1.572 1.00 0.00 C ATOM 315 CD ARG A 25 12.602 9.388 0.950 1.00 0.00 C ATOM 316 NE ARG A 25 12.789 8.840 -0.395 1.00 0.00 N ATOM 317 CZ ARG A 25 13.972 8.511 -0.911 1.00 0.00 C ATOM 318 NH1 ARG A 25 15.088 8.714 -0.222 1.00 0.00 N ATOM 319 NH2 ARG A 25 14.037 7.996 -2.131 1.00 0.00 N ATOM 0 H ARG A 25 9.480 7.307 -0.027 1.00 0.00 H new ATOM 0 HA ARG A 25 8.659 8.850 2.289 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.256 9.488 -0.213 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.022 10.592 1.128 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.275 9.210 2.625 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.232 7.844 1.529 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.621 10.477 0.904 1.00 0.00 H new ATOM 0 HD3 ARG A 25 13.433 9.082 1.585 1.00 0.00 H new ATOM 0 HE ARG A 25 11.960 8.701 -0.974 1.00 0.00 H new ATOM 0 HH11 ARG A 25 15.044 9.125 0.711 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.990 8.459 -0.625 1.00 0.00 H new ATOM 0 HH21 ARG A 25 13.183 7.853 -2.670 1.00 0.00 H new ATOM 0 HH22 ARG A 25 14.941 7.743 -2.530 1.00 0.00 H new ATOM 333 N VAL A 26 6.665 9.967 1.397 1.00 0.00 N ATOM 334 CA VAL A 26 5.428 10.554 0.917 1.00 0.00 C ATOM 335 C VAL A 26 5.050 11.787 1.738 1.00 0.00 C ATOM 336 O VAL A 26 5.089 11.760 2.963 1.00 0.00 O ATOM 337 CB VAL A 26 4.289 9.501 0.948 1.00 0.00 C ATOM 338 CG1 VAL A 26 4.371 8.643 2.201 1.00 0.00 C ATOM 339 CG2 VAL A 26 2.921 10.156 0.852 1.00 0.00 C ATOM 0 H VAL A 26 6.726 9.889 2.412 1.00 0.00 H new ATOM 0 HA VAL A 26 5.578 10.875 -0.114 1.00 0.00 H new ATOM 0 HB VAL A 26 4.421 8.859 0.077 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.561 7.914 2.196 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.328 8.122 2.223 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.283 9.278 3.083 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.148 9.388 0.877 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.784 10.837 1.692 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.849 10.713 -0.082 1.00 0.00 H new ATOM 349 N PRO A 27 4.707 12.895 1.058 1.00 0.00 N ATOM 350 CA PRO A 27 4.274 14.135 1.718 1.00 0.00 C ATOM 351 C PRO A 27 2.997 13.923 2.528 1.00 0.00 C ATOM 352 O PRO A 27 2.128 13.133 2.150 1.00 0.00 O ATOM 353 CB PRO A 27 4.014 15.093 0.550 1.00 0.00 C ATOM 354 CG PRO A 27 4.755 14.514 -0.604 1.00 0.00 C ATOM 355 CD PRO A 27 4.722 13.028 -0.406 1.00 0.00 C ATOM 0 HA PRO A 27 5.014 14.507 2.426 1.00 0.00 H new ATOM 0 HB2 PRO A 27 2.948 15.171 0.334 1.00 0.00 H new ATOM 0 HB3 PRO A 27 4.367 16.098 0.780 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.288 14.793 -1.548 1.00 0.00 H new ATOM 0 HG3 PRO A 27 5.781 14.882 -0.635 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.840 12.579 -0.862 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.592 12.542 -0.847 1.00 0.00 H new ATOM 363 N ASP A 28 2.892 14.647 3.644 1.00 0.00 N ATOM 364 CA ASP A 28 1.815 14.441 4.619 1.00 0.00 C ATOM 365 C ASP A 28 0.427 14.654 4.009 1.00 0.00 C ATOM 366 O ASP A 28 -0.550 14.036 4.441 1.00 0.00 O ATOM 367 CB ASP A 28 1.995 15.364 5.833 1.00 0.00 C ATOM 368 CG ASP A 28 1.554 16.791 5.565 1.00 0.00 C ATOM 369 OD1 ASP A 28 2.283 17.530 4.868 1.00 0.00 O ATOM 370 OD2 ASP A 28 0.470 17.183 6.050 1.00 0.00 O ATOM 0 H ASP A 28 3.545 15.388 3.898 1.00 0.00 H new ATOM 0 HA ASP A 28 1.880 13.402 4.940 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.426 14.966 6.673 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.044 15.364 6.130 1.00 0.00 H new ATOM 375 N GLY A 29 0.328 15.525 3.019 1.00 0.00 N ATOM 376 CA GLY A 29 -0.940 15.730 2.351 1.00 0.00 C ATOM 377 C GLY A 29 -1.266 14.574 1.430 1.00 0.00 C ATOM 378 O GLY A 29 -2.428 14.180 1.288 1.00 0.00 O ATOM 0 H GLY A 29 1.099 16.092 2.666 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.731 15.842 3.093 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.907 16.657 1.778 1.00 0.00 H new ATOM 382 N MET A 30 -0.230 13.988 0.845 1.00 0.00 N ATOM 383 CA MET A 30 -0.412 12.918 -0.117 1.00 0.00 C ATOM 384 C MET A 30 -0.700 11.603 0.587 1.00 0.00 C ATOM 385 O MET A 30 -1.393 10.752 0.045 1.00 0.00 O ATOM 386 CB MET A 30 0.810 12.773 -1.022 1.00 0.00 C ATOM 387 CG MET A 30 1.114 14.022 -1.834 1.00 0.00 C ATOM 388 SD MET A 30 -0.344 14.730 -2.626 1.00 0.00 S ATOM 389 CE MET A 30 -0.780 13.433 -3.780 1.00 0.00 C ATOM 0 H MET A 30 0.743 14.238 1.022 1.00 0.00 H new ATOM 0 HA MET A 30 -1.269 13.177 -0.739 1.00 0.00 H new ATOM 0 HB2 MET A 30 1.678 12.526 -0.411 1.00 0.00 H new ATOM 0 HB3 MET A 30 0.651 11.936 -1.702 1.00 0.00 H new ATOM 0 HG2 MET A 30 1.564 14.770 -1.182 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.852 13.779 -2.598 1.00 0.00 H new ATOM 0 HE1 MET A 30 -1.307 13.865 -4.631 1.00 0.00 H new ATOM 0 HE2 MET A 30 0.126 12.936 -4.128 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.425 12.707 -3.285 1.00 0.00 H new ATOM 399 N VAL A 31 -0.184 11.433 1.797 1.00 0.00 N ATOM 400 CA VAL A 31 -0.543 10.265 2.588 1.00 0.00 C ATOM 401 C VAL A 31 -1.999 10.382 3.031 1.00 0.00 C ATOM 402 O VAL A 31 -2.709 9.386 3.148 1.00 0.00 O ATOM 403 CB VAL A 31 0.384 10.051 3.809 1.00 0.00 C ATOM 404 CG1 VAL A 31 0.316 11.225 4.766 1.00 0.00 C ATOM 405 CG2 VAL A 31 0.039 8.748 4.522 1.00 0.00 C ATOM 0 H VAL A 31 0.471 12.074 2.245 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.415 9.388 1.954 1.00 0.00 H new ATOM 0 HB VAL A 31 1.409 9.983 3.444 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.978 11.043 5.612 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.627 12.133 4.250 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.707 11.344 5.124 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.701 8.615 5.377 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.995 8.784 4.866 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.164 7.912 3.833 1.00 0.00 H new ATOM 415 N GLY A 32 -2.455 11.612 3.245 1.00 0.00 N ATOM 416 CA GLY A 32 -3.867 11.833 3.488 1.00 0.00 C ATOM 417 C GLY A 32 -4.704 11.456 2.278 1.00 0.00 C ATOM 418 O GLY A 32 -5.878 11.109 2.404 1.00 0.00 O ATOM 0 H GLY A 32 -1.877 12.452 3.254 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.186 11.246 4.350 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.035 12.881 3.736 1.00 0.00 H new ATOM 422 N LEU A 33 -4.098 11.529 1.099 1.00 0.00 N ATOM 423 CA LEU A 33 -4.775 11.135 -0.132 1.00 0.00 C ATOM 424 C LEU A 33 -4.597 9.647 -0.448 1.00 0.00 C ATOM 425 O LEU A 33 -5.413 9.070 -1.164 1.00 0.00 O ATOM 426 CB LEU A 33 -4.278 11.977 -1.305 1.00 0.00 C ATOM 427 CG LEU A 33 -4.621 13.462 -1.221 1.00 0.00 C ATOM 428 CD1 LEU A 33 -4.027 14.206 -2.400 1.00 0.00 C ATOM 429 CD2 LEU A 33 -6.127 13.662 -1.172 1.00 0.00 C ATOM 0 H LEU A 33 -3.141 11.857 0.969 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.840 11.311 0.022 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.195 11.873 -1.375 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.698 11.574 -2.227 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.192 13.864 -0.303 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.279 15.264 -2.327 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.943 14.090 -2.395 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.431 13.800 -3.327 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.351 14.727 -1.112 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.579 13.246 -2.073 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.533 13.156 -0.296 1.00 0.00 H new ATOM 441 N ILE A 34 -3.538 9.021 0.071 1.00 0.00 N ATOM 442 CA ILE A 34 -3.320 7.592 -0.165 1.00 0.00 C ATOM 443 C ILE A 34 -4.334 6.784 0.638 1.00 0.00 C ATOM 444 O ILE A 34 -4.709 5.672 0.268 1.00 0.00 O ATOM 445 CB ILE A 34 -1.871 7.134 0.173 1.00 0.00 C ATOM 446 CG1 ILE A 34 -1.592 5.752 -0.422 1.00 0.00 C ATOM 447 CG2 ILE A 34 -1.631 7.095 1.672 1.00 0.00 C ATOM 448 CD1 ILE A 34 -1.738 5.693 -1.926 1.00 0.00 C ATOM 0 H ILE A 34 -2.828 9.472 0.648 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.458 7.413 -1.231 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.191 7.865 -0.266 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.580 5.448 -0.153 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.272 5.029 0.028 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.609 6.771 1.869 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.783 8.090 2.091 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.328 6.396 2.134 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.524 4.682 -2.273 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.757 5.964 -2.204 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.038 6.390 -2.387 1.00 0.00 H new ATOM 460 N ILE A 35 -4.782 7.365 1.741 1.00 0.00 N ATOM 461 CA ILE A 35 -5.873 6.796 2.510 1.00 0.00 C ATOM 462 C ILE A 35 -7.214 7.248 1.935 1.00 0.00 C ATOM 463 O ILE A 35 -8.265 6.688 2.264 1.00 0.00 O ATOM 464 CB ILE A 35 -5.777 7.163 4.002 1.00 0.00 C ATOM 465 CG1 ILE A 35 -5.538 8.663 4.183 1.00 0.00 C ATOM 466 CG2 ILE A 35 -4.682 6.351 4.668 1.00 0.00 C ATOM 467 CD1 ILE A 35 -5.331 9.083 5.625 1.00 0.00 C ATOM 0 H ILE A 35 -4.404 8.232 2.122 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.798 5.711 2.437 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.726 6.922 4.481 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.664 8.954 3.601 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.389 9.208 3.775 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.622 6.618 5.723 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.909 5.289 4.575 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.728 6.562 4.185 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.168 10.160 5.671 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.214 8.825 6.210 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.462 8.567 6.033 1.00 0.00 H new ATOM 479 N GLY A 36 -7.151 8.276 1.086 1.00 0.00 N ATOM 480 CA GLY A 36 -8.310 8.751 0.341 1.00 0.00 C ATOM 481 C GLY A 36 -9.448 9.199 1.226 1.00 0.00 C ATOM 482 O GLY A 36 -9.454 10.321 1.730 1.00 0.00 O ATOM 0 H GLY A 36 -6.296 8.799 0.899 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.007 9.581 -0.297 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.662 7.955 -0.316 1.00 0.00 H new ATOM 486 N ARG A 37 -10.403 8.302 1.412 1.00 0.00 N ATOM 487 CA ARG A 37 -11.565 8.541 2.257 1.00 0.00 C ATOM 488 C ARG A 37 -11.160 8.858 3.694 1.00 0.00 C ATOM 489 O ARG A 37 -11.920 9.471 4.443 1.00 0.00 O ATOM 490 CB ARG A 37 -12.469 7.310 2.227 1.00 0.00 C ATOM 491 CG ARG A 37 -11.712 6.000 2.404 1.00 0.00 C ATOM 492 CD ARG A 37 -12.646 4.806 2.334 1.00 0.00 C ATOM 493 NE ARG A 37 -13.668 4.845 3.376 1.00 0.00 N ATOM 494 CZ ARG A 37 -14.621 3.927 3.521 1.00 0.00 C ATOM 495 NH1 ARG A 37 -14.711 2.917 2.668 1.00 0.00 N ATOM 496 NH2 ARG A 37 -15.491 4.028 4.514 1.00 0.00 N ATOM 0 H ARG A 37 -10.395 7.379 0.978 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.101 9.407 1.869 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -13.217 7.398 3.015 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.006 7.286 1.279 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.948 5.912 1.631 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.195 6.004 3.364 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.127 4.780 1.356 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.067 3.887 2.429 1.00 0.00 H new ATOM 0 HE ARG A 37 -13.651 5.624 4.034 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -14.048 2.841 1.896 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -15.443 2.216 2.783 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -15.431 4.809 5.167 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -16.221 3.325 4.626 1.00 0.00 H new ATOM 510 N GLY A 38 -9.963 8.436 4.073 1.00 0.00 N ATOM 511 CA GLY A 38 -9.464 8.744 5.394 1.00 0.00 C ATOM 512 C GLY A 38 -8.637 7.623 5.984 1.00 0.00 C ATOM 513 O GLY A 38 -8.033 7.787 7.043 1.00 0.00 O ATOM 0 H GLY A 38 -9.331 7.887 3.490 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.859 9.650 5.347 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.305 8.956 6.055 1.00 0.00 H new ATOM 517 N GLY A 39 -8.607 6.478 5.312 1.00 0.00 N ATOM 518 CA GLY A 39 -7.778 5.387 5.784 1.00 0.00 C ATOM 519 C GLY A 39 -8.070 4.071 5.092 1.00 0.00 C ATOM 520 O GLY A 39 -7.158 3.396 4.616 1.00 0.00 O ATOM 0 H GLY A 39 -9.135 6.287 4.460 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.730 5.644 5.633 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.925 5.266 6.857 1.00 0.00 H new ATOM 524 N GLU A 40 -9.348 3.726 5.012 1.00 0.00 N ATOM 525 CA GLU A 40 -9.773 2.409 4.546 1.00 0.00 C ATOM 526 C GLU A 40 -9.315 2.099 3.116 1.00 0.00 C ATOM 527 O GLU A 40 -9.228 0.935 2.750 1.00 0.00 O ATOM 528 CB GLU A 40 -11.293 2.280 4.656 1.00 0.00 C ATOM 529 CG GLU A 40 -11.795 0.846 4.573 1.00 0.00 C ATOM 530 CD GLU A 40 -13.294 0.741 4.751 1.00 0.00 C ATOM 531 OE1 GLU A 40 -13.789 1.042 5.859 1.00 0.00 O ATOM 532 OE2 GLU A 40 -13.985 0.364 3.781 1.00 0.00 O ATOM 0 H GLU A 40 -10.117 4.346 5.266 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.291 1.675 5.192 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.618 2.715 5.601 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.756 2.864 3.861 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.517 0.424 3.607 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.300 0.247 5.337 1.00 0.00 H new ATOM 539 N GLN A 41 -9.007 3.120 2.315 1.00 0.00 N ATOM 540 CA GLN A 41 -8.602 2.889 0.925 1.00 0.00 C ATOM 541 C GLN A 41 -7.342 2.029 0.869 1.00 0.00 C ATOM 542 O GLN A 41 -7.328 0.973 0.239 1.00 0.00 O ATOM 543 CB GLN A 41 -8.365 4.212 0.190 1.00 0.00 C ATOM 544 CG GLN A 41 -8.498 4.104 -1.326 1.00 0.00 C ATOM 545 CD GLN A 41 -7.252 3.576 -2.024 1.00 0.00 C ATOM 546 OE1 GLN A 41 -6.079 3.892 -1.494 1.00 0.00 O flip ATOM 547 NE2 GLN A 41 -7.345 2.909 -3.055 1.00 0.00 N flip ATOM 0 H GLN A 41 -9.029 4.100 2.597 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.415 2.360 0.427 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.075 4.953 0.556 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.368 4.579 0.433 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.337 3.449 -1.560 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.738 5.088 -1.730 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.264 2.684 -3.436 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.503 2.582 -3.528 1.00 0.00 H new ATOM 556 N ILE A 42 -6.288 2.468 1.548 1.00 0.00 N ATOM 557 CA ILE A 42 -5.034 1.728 1.539 1.00 0.00 C ATOM 558 C ILE A 42 -5.204 0.393 2.251 1.00 0.00 C ATOM 559 O ILE A 42 -4.686 -0.626 1.800 1.00 0.00 O ATOM 560 CB ILE A 42 -3.874 2.532 2.177 1.00 0.00 C ATOM 561 CG1 ILE A 42 -2.552 1.767 2.066 1.00 0.00 C ATOM 562 CG2 ILE A 42 -4.165 2.877 3.630 1.00 0.00 C ATOM 563 CD1 ILE A 42 -2.117 1.520 0.636 1.00 0.00 C ATOM 0 H ILE A 42 -6.277 3.322 2.105 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.770 1.551 0.496 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.783 3.466 1.622 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.773 2.327 2.583 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.651 0.810 2.578 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.329 3.441 4.044 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.072 3.479 3.686 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.302 1.959 4.201 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.174 0.974 0.632 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.878 0.934 0.120 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.986 2.474 0.126 1.00 0.00 H new ATOM 575 N ASN A 43 -5.971 0.403 3.338 1.00 0.00 N ATOM 576 CA ASN A 43 -6.231 -0.807 4.107 1.00 0.00 C ATOM 577 C ASN A 43 -6.929 -1.839 3.237 1.00 0.00 C ATOM 578 O ASN A 43 -6.678 -3.035 3.350 1.00 0.00 O ATOM 579 CB ASN A 43 -7.087 -0.494 5.338 1.00 0.00 C ATOM 580 CG ASN A 43 -6.409 0.466 6.295 1.00 0.00 C ATOM 581 OD1 ASN A 43 -5.183 0.514 6.379 1.00 0.00 O ATOM 582 ND2 ASN A 43 -7.201 1.234 7.026 1.00 0.00 N ATOM 0 H ASN A 43 -6.424 1.240 3.706 1.00 0.00 H new ATOM 0 HA ASN A 43 -5.277 -1.211 4.444 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.037 -0.068 5.016 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -7.315 -1.422 5.862 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.799 1.896 7.689 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.214 1.163 6.926 1.00 0.00 H new ATOM 589 N LYS A 44 -7.809 -1.362 2.367 1.00 0.00 N ATOM 590 CA LYS A 44 -8.500 -2.214 1.418 1.00 0.00 C ATOM 591 C LYS A 44 -7.503 -2.853 0.467 1.00 0.00 C ATOM 592 O LYS A 44 -7.391 -4.069 0.413 1.00 0.00 O ATOM 593 CB LYS A 44 -9.543 -1.402 0.635 1.00 0.00 C ATOM 594 CG LYS A 44 -10.263 -2.184 -0.458 1.00 0.00 C ATOM 595 CD LYS A 44 -10.915 -3.447 0.086 1.00 0.00 C ATOM 596 CE LYS A 44 -11.836 -4.089 -0.940 1.00 0.00 C ATOM 597 NZ LYS A 44 -11.136 -4.445 -2.201 1.00 0.00 N ATOM 0 H LYS A 44 -8.061 -0.376 2.302 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.016 -3.003 1.965 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.283 -1.015 1.335 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.050 -0.541 0.184 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.023 -1.551 -0.917 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.554 -2.450 -1.242 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.143 -4.159 0.378 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.483 -3.206 0.985 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.280 -4.987 -0.511 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.654 -3.405 -1.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.818 -4.847 -2.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.705 -3.592 -2.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.394 -5.145 -2.000 1.00 0.00 H new ATOM 611 N ILE A 45 -6.757 -2.019 -0.243 1.00 0.00 N ATOM 612 CA ILE A 45 -5.837 -2.486 -1.275 1.00 0.00 C ATOM 613 C ILE A 45 -4.760 -3.420 -0.713 1.00 0.00 C ATOM 614 O ILE A 45 -4.441 -4.442 -1.326 1.00 0.00 O ATOM 615 CB ILE A 45 -5.186 -1.291 -2.027 1.00 0.00 C ATOM 616 CG1 ILE A 45 -6.111 -0.782 -3.143 1.00 0.00 C ATOM 617 CG2 ILE A 45 -3.829 -1.665 -2.612 1.00 0.00 C ATOM 618 CD1 ILE A 45 -7.467 -0.299 -2.670 1.00 0.00 C ATOM 0 H ILE A 45 -6.770 -1.006 -0.123 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.428 -3.063 -1.986 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.034 -0.496 -1.297 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.612 0.034 -3.666 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.258 -1.583 -3.868 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.406 -0.804 -3.130 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.158 -1.971 -1.809 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.951 -2.488 -3.316 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.051 0.041 -3.525 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.992 -1.116 -2.174 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.335 0.526 -1.970 1.00 0.00 H new ATOM 630 N GLN A 46 -4.213 -3.097 0.457 1.00 0.00 N ATOM 631 CA GLN A 46 -3.129 -3.898 1.011 1.00 0.00 C ATOM 632 C GLN A 46 -3.624 -5.259 1.512 1.00 0.00 C ATOM 633 O GLN A 46 -2.972 -6.276 1.280 1.00 0.00 O ATOM 634 CB GLN A 46 -2.337 -3.117 2.076 1.00 0.00 C ATOM 635 CG GLN A 46 -3.116 -2.641 3.288 1.00 0.00 C ATOM 636 CD GLN A 46 -3.022 -3.599 4.455 1.00 0.00 C ATOM 637 OE1 GLN A 46 -2.939 -4.812 4.285 1.00 0.00 O ATOM 638 NE2 GLN A 46 -2.977 -3.065 5.655 1.00 0.00 N ATOM 0 H GLN A 46 -4.497 -2.302 1.029 1.00 0.00 H new ATOM 0 HA GLN A 46 -2.429 -4.112 0.203 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.519 -3.748 2.423 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.888 -2.247 1.597 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.742 -1.664 3.594 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.163 -2.510 3.014 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -3.048 -2.054 5.766 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.871 -3.662 6.475 1.00 0.00 H new ATOM 647 N GLN A 47 -4.788 -5.298 2.152 1.00 0.00 N ATOM 648 CA GLN A 47 -5.353 -6.542 2.622 1.00 0.00 C ATOM 649 C GLN A 47 -5.899 -7.355 1.456 1.00 0.00 C ATOM 650 O GLN A 47 -5.910 -8.589 1.483 1.00 0.00 O ATOM 651 CB GLN A 47 -6.467 -6.237 3.611 1.00 0.00 C ATOM 652 CG GLN A 47 -5.977 -5.690 4.940 1.00 0.00 C ATOM 653 CD GLN A 47 -7.117 -5.361 5.886 1.00 0.00 C ATOM 654 OE1 GLN A 47 -7.537 -6.198 6.682 1.00 0.00 O ATOM 655 NE2 GLN A 47 -7.637 -4.149 5.792 1.00 0.00 N ATOM 0 H GLN A 47 -5.355 -4.474 2.354 1.00 0.00 H new ATOM 0 HA GLN A 47 -4.575 -7.128 3.111 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -7.151 -5.516 3.162 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -7.038 -7.148 3.792 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -5.318 -6.420 5.410 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -5.384 -4.792 4.764 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -7.260 -3.483 5.118 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -8.416 -3.880 6.394 1.00 0.00 H new ATOM 664 N ASP A 48 -6.344 -6.640 0.436 1.00 0.00 N ATOM 665 CA ASP A 48 -6.925 -7.243 -0.755 1.00 0.00 C ATOM 666 C ASP A 48 -5.861 -7.980 -1.560 1.00 0.00 C ATOM 667 O ASP A 48 -6.078 -9.101 -2.022 1.00 0.00 O ATOM 668 CB ASP A 48 -7.565 -6.149 -1.613 1.00 0.00 C ATOM 669 CG ASP A 48 -8.438 -6.692 -2.718 1.00 0.00 C ATOM 670 OD1 ASP A 48 -7.904 -7.093 -3.770 1.00 0.00 O ATOM 671 OD2 ASP A 48 -9.675 -6.701 -2.542 1.00 0.00 O ATOM 0 H ASP A 48 -6.313 -5.621 0.409 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.684 -7.964 -0.452 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.162 -5.498 -0.974 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.779 -5.533 -2.050 1.00 0.00 H new ATOM 676 N SER A 49 -4.710 -7.345 -1.713 1.00 0.00 N ATOM 677 CA SER A 49 -3.609 -7.932 -2.457 1.00 0.00 C ATOM 678 C SER A 49 -2.849 -8.945 -1.599 1.00 0.00 C ATOM 679 O SER A 49 -2.375 -9.968 -2.097 1.00 0.00 O ATOM 680 CB SER A 49 -2.670 -6.828 -2.941 1.00 0.00 C ATOM 681 OG SER A 49 -2.253 -6.006 -1.863 1.00 0.00 O ATOM 0 H SER A 49 -4.514 -6.420 -1.330 1.00 0.00 H new ATOM 0 HA SER A 49 -4.012 -8.462 -3.320 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.799 -7.272 -3.422 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.174 -6.220 -3.692 1.00 0.00 H new ATOM 0 HG SER A 49 -2.942 -5.333 -1.679 1.00 0.00 H new ATOM 687 N GLY A 50 -2.743 -8.658 -0.305 1.00 0.00 N ATOM 688 CA GLY A 50 -2.004 -9.525 0.595 1.00 0.00 C ATOM 689 C GLY A 50 -0.697 -8.893 1.032 1.00 0.00 C ATOM 690 O GLY A 50 0.124 -9.528 1.694 1.00 0.00 O ATOM 0 H GLY A 50 -3.157 -7.838 0.137 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.613 -9.745 1.472 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.802 -10.475 0.101 1.00 0.00 H new ATOM 694 N CYS A 51 -0.511 -7.632 0.661 1.00 0.00 N ATOM 695 CA CYS A 51 0.701 -6.897 0.987 1.00 0.00 C ATOM 696 C CYS A 51 0.532 -6.171 2.315 1.00 0.00 C ATOM 697 O CYS A 51 -0.540 -5.654 2.616 1.00 0.00 O ATOM 698 CB CYS A 51 1.014 -5.896 -0.124 1.00 0.00 C ATOM 699 SG CYS A 51 2.633 -5.100 0.016 1.00 0.00 S ATOM 0 H CYS A 51 -1.194 -7.094 0.128 1.00 0.00 H new ATOM 0 HA CYS A 51 1.530 -7.599 1.076 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.957 -6.409 -1.084 1.00 0.00 H new ATOM 0 HB3 CYS A 51 0.244 -5.125 -0.129 1.00 0.00 H new ATOM 0 HG CYS A 51 3.123 -5.318 1.200 1.00 0.00 H new ATOM 705 N LYS A 52 1.586 -6.144 3.108 1.00 0.00 N ATOM 706 CA LYS A 52 1.553 -5.476 4.395 1.00 0.00 C ATOM 707 C LYS A 52 2.071 -4.056 4.247 1.00 0.00 C ATOM 708 O LYS A 52 3.270 -3.798 4.363 1.00 0.00 O ATOM 709 CB LYS A 52 2.380 -6.258 5.421 1.00 0.00 C ATOM 710 CG LYS A 52 2.048 -7.743 5.449 1.00 0.00 C ATOM 711 CD LYS A 52 0.570 -7.978 5.705 1.00 0.00 C ATOM 712 CE LYS A 52 0.165 -9.401 5.365 1.00 0.00 C ATOM 713 NZ LYS A 52 -1.299 -9.606 5.516 1.00 0.00 N ATOM 0 H LYS A 52 2.480 -6.579 2.882 1.00 0.00 H new ATOM 0 HA LYS A 52 0.525 -5.435 4.754 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.439 -6.133 5.196 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.212 -5.836 6.412 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.331 -8.198 4.500 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.635 -8.234 6.225 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.344 -7.775 6.752 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.019 -7.279 5.111 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.461 -9.629 4.341 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.699 -10.096 6.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.539 -10.589 5.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.577 -9.413 6.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.808 -8.960 4.879 1.00 0.00 H new ATOM 727 N VAL A 53 1.157 -3.149 3.947 1.00 0.00 N ATOM 728 CA VAL A 53 1.497 -1.752 3.769 1.00 0.00 C ATOM 729 C VAL A 53 1.240 -0.992 5.061 1.00 0.00 C ATOM 730 O VAL A 53 0.090 -0.737 5.428 1.00 0.00 O ATOM 731 CB VAL A 53 0.676 -1.122 2.625 1.00 0.00 C ATOM 732 CG1 VAL A 53 1.089 0.318 2.381 1.00 0.00 C ATOM 733 CG2 VAL A 53 0.830 -1.938 1.358 1.00 0.00 C ATOM 0 H VAL A 53 0.167 -3.360 3.821 1.00 0.00 H new ATOM 0 HA VAL A 53 2.554 -1.689 3.508 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.373 -1.124 2.921 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.493 0.735 1.569 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.927 0.902 3.287 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.144 0.353 2.111 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.246 -1.483 0.559 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.881 -1.966 1.069 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.475 -2.953 1.534 1.00 0.00 H new ATOM 743 N GLN A 54 2.309 -0.626 5.743 1.00 0.00 N ATOM 744 CA GLN A 54 2.190 0.013 7.038 1.00 0.00 C ATOM 745 C GLN A 54 2.506 1.498 6.930 1.00 0.00 C ATOM 746 O GLN A 54 3.611 1.878 6.539 1.00 0.00 O ATOM 747 CB GLN A 54 3.127 -0.656 8.048 1.00 0.00 C ATOM 748 CG GLN A 54 2.753 -0.372 9.493 1.00 0.00 C ATOM 749 CD GLN A 54 1.341 -0.822 9.805 1.00 0.00 C ATOM 750 OE1 GLN A 54 0.385 0.070 9.612 1.00 0.00 O flip ATOM 751 NE2 GLN A 54 1.114 -1.957 10.223 1.00 0.00 N flip ATOM 0 H GLN A 54 3.268 -0.760 5.422 1.00 0.00 H new ATOM 0 HA GLN A 54 1.163 -0.098 7.386 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.119 -1.733 7.883 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.146 -0.314 7.870 1.00 0.00 H new ATOM 0 HG2 GLN A 54 3.452 -0.881 10.157 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.846 0.696 9.690 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.882 -2.614 10.357 1.00 0.00 H new ATOM 0 HE22 GLN A 54 0.157 -2.241 10.435 1.00 0.00 H new ATOM 760 N ILE A 55 1.529 2.332 7.262 1.00 0.00 N ATOM 761 CA ILE A 55 1.723 3.772 7.246 1.00 0.00 C ATOM 762 C ILE A 55 2.475 4.202 8.504 1.00 0.00 C ATOM 763 O ILE A 55 1.986 4.018 9.617 1.00 0.00 O ATOM 764 CB ILE A 55 0.374 4.531 7.175 1.00 0.00 C ATOM 765 CG1 ILE A 55 -0.471 4.051 5.986 1.00 0.00 C ATOM 766 CG2 ILE A 55 0.609 6.028 7.081 1.00 0.00 C ATOM 767 CD1 ILE A 55 0.171 4.273 4.635 1.00 0.00 C ATOM 0 H ILE A 55 0.595 2.034 7.545 1.00 0.00 H new ATOM 0 HA ILE A 55 2.301 4.020 6.356 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.177 4.318 8.091 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.676 2.987 6.107 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.432 4.565 6.007 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.350 6.544 7.032 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.159 6.366 7.959 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.187 6.250 6.184 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.492 3.906 3.852 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.351 5.338 4.488 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.118 3.736 4.590 1.00 0.00 H new ATOM 779 N SER A 56 3.670 4.752 8.331 1.00 0.00 N ATOM 780 CA SER A 56 4.490 5.140 9.467 1.00 0.00 C ATOM 781 C SER A 56 4.541 6.651 9.615 1.00 0.00 C ATOM 782 O SER A 56 5.089 7.362 8.762 1.00 0.00 O ATOM 783 CB SER A 56 5.909 4.577 9.333 1.00 0.00 C ATOM 784 OG SER A 56 6.647 4.763 10.527 1.00 0.00 O ATOM 0 H SER A 56 4.089 4.938 7.420 1.00 0.00 H new ATOM 0 HA SER A 56 4.031 4.722 10.363 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.861 3.515 9.094 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.421 5.067 8.505 1.00 0.00 H new ATOM 0 HG SER A 56 7.271 5.510 10.413 1.00 0.00 H new ATOM 790 N PRO A 57 3.943 7.151 10.706 1.00 0.00 N ATOM 791 CA PRO A 57 3.981 8.565 11.065 1.00 0.00 C ATOM 792 C PRO A 57 5.390 9.003 11.439 1.00 0.00 C ATOM 793 O PRO A 57 5.816 10.111 11.113 1.00 0.00 O ATOM 794 CB PRO A 57 3.042 8.663 12.273 1.00 0.00 C ATOM 795 CG PRO A 57 2.267 7.390 12.281 1.00 0.00 C ATOM 796 CD PRO A 57 3.167 6.364 11.673 1.00 0.00 C ATOM 0 HA PRO A 57 3.680 9.211 10.240 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.605 8.785 13.198 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.380 9.525 12.186 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.984 7.110 13.296 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.345 7.490 11.709 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.807 5.893 12.419 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.604 5.567 11.188 1.00 0.00 H new ATOM 804 N ASP A 58 6.114 8.120 12.116 1.00 0.00 N ATOM 805 CA ASP A 58 7.510 8.369 12.433 1.00 0.00 C ATOM 806 C ASP A 58 8.347 8.054 11.207 1.00 0.00 C ATOM 807 O ASP A 58 8.906 6.966 11.080 1.00 0.00 O ATOM 808 CB ASP A 58 7.976 7.527 13.624 1.00 0.00 C ATOM 809 CG ASP A 58 7.229 7.848 14.902 1.00 0.00 C ATOM 810 OD1 ASP A 58 7.349 8.985 15.400 1.00 0.00 O ATOM 811 OD2 ASP A 58 6.525 6.956 15.424 1.00 0.00 O ATOM 0 H ASP A 58 5.756 7.227 12.455 1.00 0.00 H new ATOM 0 HA ASP A 58 7.628 9.416 12.713 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.846 6.471 13.389 1.00 0.00 H new ATOM 0 HB3 ASP A 58 9.042 7.689 13.782 1.00 0.00 H new ATOM 816 N SER A 59 8.428 9.023 10.310 1.00 0.00 N ATOM 817 CA SER A 59 8.993 8.809 8.988 1.00 0.00 C ATOM 818 C SER A 59 10.524 8.741 9.019 1.00 0.00 C ATOM 819 O SER A 59 11.174 8.674 7.974 1.00 0.00 O ATOM 820 CB SER A 59 8.505 9.920 8.069 1.00 0.00 C ATOM 821 OG SER A 59 7.136 10.192 8.320 1.00 0.00 O ATOM 0 H SER A 59 8.105 9.976 10.477 1.00 0.00 H new ATOM 0 HA SER A 59 8.657 7.843 8.610 1.00 0.00 H new ATOM 0 HB2 SER A 59 9.098 10.821 8.227 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.641 9.628 7.028 1.00 0.00 H new ATOM 0 HG SER A 59 7.011 11.156 8.444 1.00 0.00 H new ATOM 827 N GLY A 60 11.091 8.796 10.217 1.00 0.00 N ATOM 828 CA GLY A 60 12.504 8.526 10.391 1.00 0.00 C ATOM 829 C GLY A 60 13.380 9.685 9.966 1.00 0.00 C ATOM 830 O GLY A 60 13.663 10.585 10.758 1.00 0.00 O ATOM 0 H GLY A 60 10.593 9.025 11.077 1.00 0.00 H new ATOM 0 HA2 GLY A 60 12.699 8.295 11.438 1.00 0.00 H new ATOM 0 HA3 GLY A 60 12.774 7.642 9.814 1.00 0.00 H new ATOM 834 N GLY A 61 13.817 9.658 8.719 1.00 0.00 N ATOM 835 CA GLY A 61 14.641 10.726 8.199 1.00 0.00 C ATOM 836 C GLY A 61 13.811 11.777 7.499 1.00 0.00 C ATOM 837 O GLY A 61 14.300 12.858 7.177 1.00 0.00 O ATOM 0 H GLY A 61 13.615 8.911 8.054 1.00 0.00 H new ATOM 0 HA2 GLY A 61 15.199 11.186 9.014 1.00 0.00 H new ATOM 0 HA3 GLY A 61 15.373 10.316 7.503 1.00 0.00 H new ATOM 841 N LEU A 62 12.548 11.452 7.271 1.00 0.00 N ATOM 842 CA LEU A 62 11.635 12.338 6.568 1.00 0.00 C ATOM 843 C LEU A 62 10.694 13.003 7.560 1.00 0.00 C ATOM 844 O LEU A 62 10.295 12.391 8.550 1.00 0.00 O ATOM 845 CB LEU A 62 10.823 11.561 5.519 1.00 0.00 C ATOM 846 CG LEU A 62 11.621 10.993 4.336 1.00 0.00 C ATOM 847 CD1 LEU A 62 12.513 12.064 3.726 1.00 0.00 C ATOM 848 CD2 LEU A 62 12.442 9.781 4.758 1.00 0.00 C ATOM 0 H LEU A 62 12.129 10.570 7.567 1.00 0.00 H new ATOM 0 HA LEU A 62 12.220 13.102 6.056 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.316 10.736 6.019 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.049 12.220 5.126 1.00 0.00 H new ATOM 0 HG LEU A 62 10.910 10.666 3.577 1.00 0.00 H new ATOM 0 HD11 LEU A 62 13.070 11.641 2.890 1.00 0.00 H new ATOM 0 HD12 LEU A 62 11.898 12.891 3.371 1.00 0.00 H new ATOM 0 HD13 LEU A 62 13.211 12.428 4.479 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.996 9.400 3.900 1.00 0.00 H new ATOM 0 HD22 LEU A 62 13.141 10.070 5.542 1.00 0.00 H new ATOM 0 HD23 LEU A 62 11.777 9.004 5.134 1.00 0.00 H new ATOM 860 N PRO A 63 10.355 14.279 7.331 1.00 0.00 N ATOM 861 CA PRO A 63 9.428 15.016 8.186 1.00 0.00 C ATOM 862 C PRO A 63 7.973 14.843 7.756 1.00 0.00 C ATOM 863 O PRO A 63 7.052 15.102 8.528 1.00 0.00 O ATOM 864 CB PRO A 63 9.871 16.455 7.962 1.00 0.00 C ATOM 865 CG PRO A 63 10.268 16.482 6.525 1.00 0.00 C ATOM 866 CD PRO A 63 10.874 15.129 6.236 1.00 0.00 C ATOM 0 HA PRO A 63 9.456 14.681 9.223 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.065 17.159 8.168 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.703 16.724 8.613 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.405 16.668 5.885 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.985 17.280 6.333 1.00 0.00 H new ATOM 0 HD2 PRO A 63 10.571 14.754 5.258 1.00 0.00 H new ATOM 0 HD3 PRO A 63 11.963 15.168 6.239 1.00 0.00 H new ATOM 874 N GLU A 64 7.779 14.414 6.519 1.00 0.00 N ATOM 875 CA GLU A 64 6.449 14.303 5.949 1.00 0.00 C ATOM 876 C GLU A 64 5.781 12.987 6.345 1.00 0.00 C ATOM 877 O GLU A 64 5.043 12.938 7.330 1.00 0.00 O ATOM 878 CB GLU A 64 6.504 14.499 4.425 1.00 0.00 C ATOM 879 CG GLU A 64 7.723 13.881 3.742 1.00 0.00 C ATOM 880 CD GLU A 64 8.279 14.773 2.652 1.00 0.00 C ATOM 881 OE1 GLU A 64 7.750 14.746 1.525 1.00 0.00 O ATOM 882 OE2 GLU A 64 9.245 15.519 2.927 1.00 0.00 O ATOM 0 H GLU A 64 8.531 14.136 5.889 1.00 0.00 H new ATOM 0 HA GLU A 64 5.826 15.098 6.359 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.603 14.071 3.985 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.487 15.567 4.210 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.497 13.692 4.485 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.449 12.916 3.315 1.00 0.00 H new ATOM 889 N ARG A 65 6.030 11.925 5.594 1.00 0.00 N ATOM 890 CA ARG A 65 5.497 10.622 5.933 1.00 0.00 C ATOM 891 C ARG A 65 6.296 9.531 5.233 1.00 0.00 C ATOM 892 O ARG A 65 6.919 9.779 4.200 1.00 0.00 O ATOM 893 CB ARG A 65 4.025 10.551 5.532 1.00 0.00 C ATOM 894 CG ARG A 65 3.228 9.522 6.307 1.00 0.00 C ATOM 895 CD ARG A 65 3.435 9.679 7.802 1.00 0.00 C ATOM 896 NE ARG A 65 3.317 11.068 8.250 1.00 0.00 N ATOM 897 CZ ARG A 65 2.436 11.501 9.152 1.00 0.00 C ATOM 898 NH1 ARG A 65 1.503 10.687 9.624 1.00 0.00 N ATOM 899 NH2 ARG A 65 2.476 12.762 9.567 1.00 0.00 N ATOM 0 H ARG A 65 6.598 11.944 4.747 1.00 0.00 H new ATOM 0 HA ARG A 65 5.577 10.468 7.009 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.571 11.532 5.676 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.959 10.322 4.468 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.169 9.626 6.071 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.527 8.520 5.999 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.704 9.068 8.331 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.421 9.299 8.069 1.00 0.00 H new ATOM 0 HE ARG A 65 3.954 11.753 7.843 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.455 9.722 9.297 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.832 11.026 10.314 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.181 13.399 9.196 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.802 13.093 10.257 1.00 0.00 H new ATOM 913 N SER A 66 6.307 8.332 5.803 1.00 0.00 N ATOM 914 CA SER A 66 6.956 7.207 5.159 1.00 0.00 C ATOM 915 C SER A 66 6.104 5.955 5.332 1.00 0.00 C ATOM 916 O SER A 66 5.442 5.776 6.353 1.00 0.00 O ATOM 917 CB SER A 66 8.370 7.008 5.719 1.00 0.00 C ATOM 918 OG SER A 66 9.090 6.034 4.983 1.00 0.00 O ATOM 0 H SER A 66 5.876 8.119 6.703 1.00 0.00 H new ATOM 0 HA SER A 66 7.054 7.409 4.092 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.909 7.955 5.694 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.309 6.704 6.764 1.00 0.00 H new ATOM 0 HG SER A 66 8.883 5.142 5.331 1.00 0.00 H new ATOM 924 N VAL A 67 6.086 5.114 4.313 1.00 0.00 N ATOM 925 CA VAL A 67 5.236 3.934 4.309 1.00 0.00 C ATOM 926 C VAL A 67 6.050 2.702 3.945 1.00 0.00 C ATOM 927 O VAL A 67 6.841 2.741 3.010 1.00 0.00 O ATOM 928 CB VAL A 67 4.086 4.091 3.293 1.00 0.00 C ATOM 929 CG1 VAL A 67 3.150 2.896 3.348 1.00 0.00 C ATOM 930 CG2 VAL A 67 3.323 5.384 3.532 1.00 0.00 C ATOM 0 H VAL A 67 6.653 5.226 3.473 1.00 0.00 H new ATOM 0 HA VAL A 67 4.818 3.819 5.309 1.00 0.00 H new ATOM 0 HB VAL A 67 4.522 4.135 2.295 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.347 3.029 2.623 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.705 1.988 3.112 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.725 2.812 4.348 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.517 5.471 2.803 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.903 5.378 4.538 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.001 6.231 3.427 1.00 0.00 H new ATOM 940 N SER A 68 5.865 1.613 4.675 1.00 0.00 N ATOM 941 CA SER A 68 6.571 0.385 4.358 1.00 0.00 C ATOM 942 C SER A 68 5.758 -0.503 3.436 1.00 0.00 C ATOM 943 O SER A 68 4.587 -0.792 3.690 1.00 0.00 O ATOM 944 CB SER A 68 6.921 -0.402 5.608 1.00 0.00 C ATOM 945 OG SER A 68 7.840 0.300 6.430 1.00 0.00 O ATOM 0 H SER A 68 5.241 1.555 5.480 1.00 0.00 H new ATOM 0 HA SER A 68 7.490 0.684 3.854 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.013 -0.610 6.173 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.348 -1.364 5.325 1.00 0.00 H new ATOM 0 HG SER A 68 8.504 0.751 5.867 1.00 0.00 H new ATOM 951 N LEU A 69 6.397 -0.920 2.363 1.00 0.00 N ATOM 952 CA LEU A 69 5.802 -1.823 1.401 1.00 0.00 C ATOM 953 C LEU A 69 6.476 -3.193 1.462 1.00 0.00 C ATOM 954 O LEU A 69 7.656 -3.313 1.146 1.00 0.00 O ATOM 955 CB LEU A 69 5.977 -1.245 -0.002 1.00 0.00 C ATOM 956 CG LEU A 69 5.114 -0.029 -0.376 1.00 0.00 C ATOM 957 CD1 LEU A 69 3.639 -0.377 -0.320 1.00 0.00 C ATOM 958 CD2 LEU A 69 5.410 1.173 0.505 1.00 0.00 C ATOM 0 H LEU A 69 7.350 -0.640 2.133 1.00 0.00 H new ATOM 0 HA LEU A 69 4.744 -1.939 1.635 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.024 -0.966 -0.124 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.773 -2.038 -0.721 1.00 0.00 H new ATOM 0 HG LEU A 69 5.372 0.244 -1.399 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.048 0.499 -0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.429 -1.185 -1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.378 -0.695 0.689 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.778 2.009 0.205 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.208 0.920 1.546 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.458 1.454 0.397 1.00 0.00 H new ATOM 970 N THR A 70 5.750 -4.214 1.900 1.00 0.00 N ATOM 971 CA THR A 70 6.291 -5.577 1.919 1.00 0.00 C ATOM 972 C THR A 70 5.172 -6.616 1.769 1.00 0.00 C ATOM 973 O THR A 70 4.054 -6.382 2.215 1.00 0.00 O ATOM 974 CB THR A 70 7.070 -5.848 3.224 1.00 0.00 C ATOM 975 OG1 THR A 70 8.034 -4.807 3.442 1.00 0.00 O ATOM 976 CG2 THR A 70 7.789 -7.181 3.152 1.00 0.00 C ATOM 0 H THR A 70 4.794 -4.131 2.245 1.00 0.00 H new ATOM 0 HA THR A 70 6.974 -5.665 1.074 1.00 0.00 H new ATOM 0 HB THR A 70 6.357 -5.872 4.048 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.936 -5.158 3.287 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.332 -7.352 4.082 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.062 -7.979 3.004 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.491 -7.171 2.318 1.00 0.00 H new ATOM 984 N GLY A 71 5.462 -7.760 1.141 1.00 0.00 N ATOM 985 CA GLY A 71 4.440 -8.786 0.993 1.00 0.00 C ATOM 986 C GLY A 71 4.808 -9.871 -0.002 1.00 0.00 C ATOM 987 O GLY A 71 5.901 -10.429 0.050 1.00 0.00 O ATOM 0 H GLY A 71 6.371 -7.990 0.739 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.253 -9.244 1.964 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.508 -8.316 0.678 1.00 0.00 H new ATOM 991 N ALA A 72 3.880 -10.176 -0.899 1.00 0.00 N ATOM 992 CA ALA A 72 4.078 -11.203 -1.914 1.00 0.00 C ATOM 993 C ALA A 72 4.388 -10.551 -3.262 1.00 0.00 C ATOM 994 O ALA A 72 4.128 -9.363 -3.434 1.00 0.00 O ATOM 995 CB ALA A 72 2.836 -12.081 -2.008 1.00 0.00 C ATOM 0 H ALA A 72 2.969 -9.719 -0.944 1.00 0.00 H new ATOM 0 HA ALA A 72 4.924 -11.831 -1.635 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.989 -12.847 -2.768 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.653 -12.557 -1.045 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.977 -11.468 -2.279 1.00 0.00 H new ATOM 1001 N PRO A 73 4.939 -11.307 -4.238 1.00 0.00 N ATOM 1002 CA PRO A 73 5.378 -10.748 -5.531 1.00 0.00 C ATOM 1003 C PRO A 73 4.314 -9.886 -6.212 1.00 0.00 C ATOM 1004 O PRO A 73 4.593 -8.768 -6.646 1.00 0.00 O ATOM 1005 CB PRO A 73 5.680 -11.990 -6.370 1.00 0.00 C ATOM 1006 CG PRO A 73 6.035 -13.037 -5.376 1.00 0.00 C ATOM 1007 CD PRO A 73 5.183 -12.765 -4.167 1.00 0.00 C ATOM 0 HA PRO A 73 6.228 -10.078 -5.405 1.00 0.00 H new ATOM 0 HB2 PRO A 73 4.816 -12.286 -6.966 1.00 0.00 H new ATOM 0 HB3 PRO A 73 6.500 -11.809 -7.065 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.842 -14.034 -5.773 1.00 0.00 H new ATOM 0 HG3 PRO A 73 7.095 -12.993 -5.125 1.00 0.00 H new ATOM 0 HD2 PRO A 73 4.251 -13.330 -4.197 1.00 0.00 H new ATOM 0 HD3 PRO A 73 5.694 -13.042 -3.245 1.00 0.00 H new ATOM 1015 N GLU A 74 3.096 -10.399 -6.298 1.00 0.00 N ATOM 1016 CA GLU A 74 2.010 -9.662 -6.937 1.00 0.00 C ATOM 1017 C GLU A 74 1.466 -8.575 -6.012 1.00 0.00 C ATOM 1018 O GLU A 74 1.206 -7.450 -6.443 1.00 0.00 O ATOM 1019 CB GLU A 74 0.882 -10.612 -7.345 1.00 0.00 C ATOM 1020 CG GLU A 74 -0.334 -9.905 -7.928 1.00 0.00 C ATOM 1021 CD GLU A 74 -1.460 -10.857 -8.269 1.00 0.00 C ATOM 1022 OE1 GLU A 74 -1.770 -11.741 -7.443 1.00 0.00 O ATOM 1023 OE2 GLU A 74 -2.038 -10.734 -9.366 1.00 0.00 O ATOM 0 H GLU A 74 2.833 -11.316 -5.937 1.00 0.00 H new ATOM 0 HA GLU A 74 2.412 -9.185 -7.831 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.265 -11.322 -8.078 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.572 -11.189 -6.474 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.695 -9.164 -7.214 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.038 -9.364 -8.827 1.00 0.00 H new ATOM 1030 N SER A 75 1.330 -8.906 -4.735 1.00 0.00 N ATOM 1031 CA SER A 75 0.707 -8.004 -3.775 1.00 0.00 C ATOM 1032 C SER A 75 1.552 -6.759 -3.597 1.00 0.00 C ATOM 1033 O SER A 75 1.043 -5.643 -3.530 1.00 0.00 O ATOM 1034 CB SER A 75 0.537 -8.709 -2.430 1.00 0.00 C ATOM 1035 OG SER A 75 1.758 -8.772 -1.715 1.00 0.00 O ATOM 0 H SER A 75 1.643 -9.793 -4.339 1.00 0.00 H new ATOM 0 HA SER A 75 -0.273 -7.714 -4.155 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.207 -8.181 -1.834 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.158 -9.718 -2.593 1.00 0.00 H new ATOM 0 HG SER A 75 1.587 -8.619 -0.762 1.00 0.00 H new ATOM 1041 N VAL A 76 2.854 -6.974 -3.532 1.00 0.00 N ATOM 1042 CA VAL A 76 3.802 -5.904 -3.295 1.00 0.00 C ATOM 1043 C VAL A 76 3.801 -4.911 -4.458 1.00 0.00 C ATOM 1044 O VAL A 76 4.094 -3.734 -4.279 1.00 0.00 O ATOM 1045 CB VAL A 76 5.220 -6.471 -3.042 1.00 0.00 C ATOM 1046 CG1 VAL A 76 6.019 -6.627 -4.331 1.00 0.00 C ATOM 1047 CG2 VAL A 76 5.956 -5.620 -2.025 1.00 0.00 C ATOM 0 H VAL A 76 3.281 -7.894 -3.642 1.00 0.00 H new ATOM 0 HA VAL A 76 3.494 -5.367 -2.398 1.00 0.00 H new ATOM 0 HB VAL A 76 5.107 -7.474 -2.631 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.006 -7.028 -4.101 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.498 -7.310 -5.002 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.125 -5.655 -4.813 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.951 -6.032 -1.858 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.043 -4.600 -2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.403 -5.616 -1.086 1.00 0.00 H new ATOM 1057 N GLN A 77 3.437 -5.383 -5.644 1.00 0.00 N ATOM 1058 CA GLN A 77 3.351 -4.514 -6.809 1.00 0.00 C ATOM 1059 C GLN A 77 2.021 -3.777 -6.830 1.00 0.00 C ATOM 1060 O GLN A 77 1.952 -2.629 -7.252 1.00 0.00 O ATOM 1061 CB GLN A 77 3.550 -5.314 -8.094 1.00 0.00 C ATOM 1062 CG GLN A 77 4.983 -5.775 -8.288 1.00 0.00 C ATOM 1063 CD GLN A 77 5.164 -6.619 -9.531 1.00 0.00 C ATOM 1064 OE1 GLN A 77 5.433 -6.098 -10.616 1.00 0.00 O ATOM 1065 NE2 GLN A 77 5.024 -7.927 -9.385 1.00 0.00 N ATOM 0 H GLN A 77 3.198 -6.358 -5.823 1.00 0.00 H new ATOM 0 HA GLN A 77 4.148 -3.774 -6.745 1.00 0.00 H new ATOM 0 HB2 GLN A 77 2.893 -6.184 -8.080 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.252 -4.703 -8.946 1.00 0.00 H new ATOM 0 HG2 GLN A 77 5.635 -4.904 -8.348 1.00 0.00 H new ATOM 0 HG3 GLN A 77 5.297 -6.349 -7.416 1.00 0.00 H new ATOM 0 HE21 GLN A 77 4.801 -8.317 -8.469 1.00 0.00 H new ATOM 0 HE22 GLN A 77 5.139 -8.545 -10.188 1.00 0.00 H new ATOM 1074 N LYS A 78 0.971 -4.435 -6.352 1.00 0.00 N ATOM 1075 CA LYS A 78 -0.341 -3.806 -6.239 1.00 0.00 C ATOM 1076 C LYS A 78 -0.285 -2.682 -5.209 1.00 0.00 C ATOM 1077 O LYS A 78 -0.810 -1.582 -5.419 1.00 0.00 O ATOM 1078 CB LYS A 78 -1.394 -4.836 -5.817 1.00 0.00 C ATOM 1079 CG LYS A 78 -2.814 -4.300 -5.864 1.00 0.00 C ATOM 1080 CD LYS A 78 -3.327 -4.229 -7.290 1.00 0.00 C ATOM 1081 CE LYS A 78 -4.561 -3.353 -7.397 1.00 0.00 C ATOM 1082 NZ LYS A 78 -5.146 -3.382 -8.763 1.00 0.00 N ATOM 0 H LYS A 78 1.002 -5.404 -6.036 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.618 -3.398 -7.211 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.321 -5.707 -6.468 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.175 -5.175 -4.805 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.467 -4.941 -5.271 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.846 -3.308 -5.413 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.544 -3.837 -7.940 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.561 -5.233 -7.643 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -5.307 -3.687 -6.676 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.302 -2.327 -7.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.987 -2.771 -8.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.443 -3.039 -9.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.418 -4.357 -9.004 1.00 0.00 H new ATOM 1096 N ALA A 79 0.369 -2.980 -4.096 1.00 0.00 N ATOM 1097 CA ALA A 79 0.564 -2.021 -3.025 1.00 0.00 C ATOM 1098 C ALA A 79 1.316 -0.793 -3.519 1.00 0.00 C ATOM 1099 O ALA A 79 0.887 0.340 -3.311 1.00 0.00 O ATOM 1100 CB ALA A 79 1.329 -2.674 -1.891 1.00 0.00 C ATOM 0 H ALA A 79 0.779 -3.896 -3.912 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.414 -1.698 -2.669 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.475 -1.952 -1.087 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.764 -3.527 -1.515 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.299 -3.013 -2.254 1.00 0.00 H new ATOM 1106 N LYS A 80 2.422 -1.031 -4.206 1.00 0.00 N ATOM 1107 CA LYS A 80 3.290 0.047 -4.640 1.00 0.00 C ATOM 1108 C LYS A 80 2.689 0.745 -5.847 1.00 0.00 C ATOM 1109 O LYS A 80 3.059 1.866 -6.174 1.00 0.00 O ATOM 1110 CB LYS A 80 4.701 -0.466 -4.925 1.00 0.00 C ATOM 1111 CG LYS A 80 5.342 -1.115 -3.705 1.00 0.00 C ATOM 1112 CD LYS A 80 6.851 -1.214 -3.823 1.00 0.00 C ATOM 1113 CE LYS A 80 7.287 -2.093 -4.980 1.00 0.00 C ATOM 1114 NZ LYS A 80 8.772 -2.166 -5.076 1.00 0.00 N ATOM 0 H LYS A 80 2.738 -1.963 -4.474 1.00 0.00 H new ATOM 0 HA LYS A 80 3.374 0.777 -3.835 1.00 0.00 H new ATOM 0 HB2 LYS A 80 4.664 -1.189 -5.740 1.00 0.00 H new ATOM 0 HB3 LYS A 80 5.324 0.362 -5.262 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.088 -0.539 -2.816 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.926 -2.113 -3.568 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.268 -0.215 -3.952 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.259 -1.612 -2.894 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.879 -3.096 -4.851 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.879 -1.700 -5.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 9.059 -2.100 -6.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 9.194 -1.380 -4.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 9.101 -3.070 -4.680 1.00 0.00 H new ATOM 1128 N MET A 81 1.779 0.052 -6.521 1.00 0.00 N ATOM 1129 CA MET A 81 1.009 0.626 -7.607 1.00 0.00 C ATOM 1130 C MET A 81 0.258 1.860 -7.115 1.00 0.00 C ATOM 1131 O MET A 81 0.403 2.951 -7.664 1.00 0.00 O ATOM 1132 CB MET A 81 0.018 -0.415 -8.119 1.00 0.00 C ATOM 1133 CG MET A 81 -0.250 -0.341 -9.602 1.00 0.00 C ATOM 1134 SD MET A 81 -0.998 1.222 -10.114 1.00 0.00 S ATOM 1135 CE MET A 81 -1.182 0.947 -11.874 1.00 0.00 C ATOM 0 H MET A 81 1.557 -0.924 -6.326 1.00 0.00 H new ATOM 0 HA MET A 81 1.679 0.922 -8.414 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.397 -1.409 -7.879 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.925 -0.296 -7.585 1.00 0.00 H new ATOM 0 HG2 MET A 81 0.687 -0.482 -10.141 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.908 -1.162 -9.887 1.00 0.00 H new ATOM 0 HE1 MET A 81 -1.632 1.826 -12.335 1.00 0.00 H new ATOM 0 HE2 MET A 81 -0.203 0.766 -12.318 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.823 0.081 -12.042 1.00 0.00 H new ATOM 1145 N MET A 82 -0.530 1.679 -6.054 1.00 0.00 N ATOM 1146 CA MET A 82 -1.279 2.790 -5.461 1.00 0.00 C ATOM 1147 C MET A 82 -0.331 3.830 -4.878 1.00 0.00 C ATOM 1148 O MET A 82 -0.588 5.031 -4.945 1.00 0.00 O ATOM 1149 CB MET A 82 -2.232 2.296 -4.366 1.00 0.00 C ATOM 1150 CG MET A 82 -3.404 1.478 -4.886 1.00 0.00 C ATOM 1151 SD MET A 82 -4.384 2.368 -6.111 1.00 0.00 S ATOM 1152 CE MET A 82 -5.611 1.132 -6.524 1.00 0.00 C ATOM 0 H MET A 82 -0.666 0.781 -5.590 1.00 0.00 H new ATOM 0 HA MET A 82 -1.868 3.247 -6.257 1.00 0.00 H new ATOM 0 HB2 MET A 82 -1.669 1.692 -3.654 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.617 3.157 -3.819 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.030 0.554 -5.327 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.044 1.195 -4.050 1.00 0.00 H new ATOM 0 HE1 MET A 82 -6.169 1.453 -7.403 1.00 0.00 H new ATOM 0 HE2 MET A 82 -5.116 0.184 -6.735 1.00 0.00 H new ATOM 0 HE3 MET A 82 -6.296 1.005 -5.686 1.00 0.00 H new ATOM 1162 N LEU A 83 0.775 3.360 -4.321 1.00 0.00 N ATOM 1163 CA LEU A 83 1.745 4.240 -3.678 1.00 0.00 C ATOM 1164 C LEU A 83 2.402 5.159 -4.694 1.00 0.00 C ATOM 1165 O LEU A 83 2.329 6.377 -4.565 1.00 0.00 O ATOM 1166 CB LEU A 83 2.806 3.430 -2.923 1.00 0.00 C ATOM 1167 CG LEU A 83 2.580 3.287 -1.411 1.00 0.00 C ATOM 1168 CD1 LEU A 83 2.604 4.651 -0.740 1.00 0.00 C ATOM 1169 CD2 LEU A 83 1.267 2.578 -1.119 1.00 0.00 C ATOM 0 H LEU A 83 1.026 2.371 -4.300 1.00 0.00 H new ATOM 0 HA LEU A 83 1.208 4.856 -2.956 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.856 2.433 -3.361 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.777 3.898 -3.084 1.00 0.00 H new ATOM 0 HG LEU A 83 3.390 2.681 -1.005 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.442 4.532 0.331 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.571 5.124 -0.911 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.816 5.276 -1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.133 2.490 -0.041 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.442 3.151 -1.542 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.284 1.583 -1.564 1.00 0.00 H new ATOM 1181 N ASP A 84 3.017 4.572 -5.714 1.00 0.00 N ATOM 1182 CA ASP A 84 3.674 5.340 -6.769 1.00 0.00 C ATOM 1183 C ASP A 84 2.721 6.364 -7.355 1.00 0.00 C ATOM 1184 O ASP A 84 3.100 7.502 -7.599 1.00 0.00 O ATOM 1185 CB ASP A 84 4.179 4.410 -7.879 1.00 0.00 C ATOM 1186 CG ASP A 84 4.661 5.163 -9.109 1.00 0.00 C ATOM 1187 OD1 ASP A 84 5.809 5.655 -9.109 1.00 0.00 O ATOM 1188 OD2 ASP A 84 3.901 5.241 -10.095 1.00 0.00 O ATOM 0 H ASP A 84 3.075 3.561 -5.834 1.00 0.00 H new ATOM 0 HA ASP A 84 4.525 5.859 -6.328 1.00 0.00 H new ATOM 0 HB2 ASP A 84 4.994 3.799 -7.491 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.379 3.728 -8.167 1.00 0.00 H new ATOM 1193 N ASP A 85 1.478 5.951 -7.540 1.00 0.00 N ATOM 1194 CA ASP A 85 0.454 6.807 -8.121 1.00 0.00 C ATOM 1195 C ASP A 85 0.348 8.131 -7.373 1.00 0.00 C ATOM 1196 O ASP A 85 0.560 9.208 -7.940 1.00 0.00 O ATOM 1197 CB ASP A 85 -0.896 6.098 -8.073 1.00 0.00 C ATOM 1198 CG ASP A 85 -1.892 6.684 -9.057 1.00 0.00 C ATOM 1199 OD1 ASP A 85 -2.374 7.816 -8.830 1.00 0.00 O ATOM 1200 OD2 ASP A 85 -2.194 6.018 -10.070 1.00 0.00 O ATOM 0 H ASP A 85 1.150 5.017 -7.293 1.00 0.00 H new ATOM 0 HA ASP A 85 0.735 7.014 -9.154 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.755 5.039 -8.290 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.303 6.165 -7.064 1.00 0.00 H new ATOM 1205 N ILE A 86 0.037 8.040 -6.089 1.00 0.00 N ATOM 1206 CA ILE A 86 -0.196 9.222 -5.275 1.00 0.00 C ATOM 1207 C ILE A 86 1.105 9.912 -4.902 1.00 0.00 C ATOM 1208 O ILE A 86 1.211 11.136 -4.998 1.00 0.00 O ATOM 1209 CB ILE A 86 -1.004 8.884 -3.997 1.00 0.00 C ATOM 1210 CG1 ILE A 86 -2.471 8.661 -4.345 1.00 0.00 C ATOM 1211 CG2 ILE A 86 -0.881 9.983 -2.951 1.00 0.00 C ATOM 1212 CD1 ILE A 86 -2.758 7.324 -4.994 1.00 0.00 C ATOM 0 H ILE A 86 -0.060 7.157 -5.588 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.785 9.909 -5.883 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.589 7.969 -3.575 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.066 8.746 -3.435 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.799 9.456 -5.015 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.460 9.712 -2.069 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.166 10.106 -2.674 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.260 10.919 -3.361 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.824 7.245 -5.209 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.193 7.242 -5.923 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.464 6.521 -4.318 1.00 0.00 H new ATOM 1224 N VAL A 87 2.095 9.133 -4.499 1.00 0.00 N ATOM 1225 CA VAL A 87 3.368 9.697 -4.095 1.00 0.00 C ATOM 1226 C VAL A 87 3.985 10.493 -5.236 1.00 0.00 C ATOM 1227 O VAL A 87 4.519 11.569 -5.019 1.00 0.00 O ATOM 1228 CB VAL A 87 4.360 8.618 -3.621 1.00 0.00 C ATOM 1229 CG1 VAL A 87 5.712 9.238 -3.290 1.00 0.00 C ATOM 1230 CG2 VAL A 87 3.809 7.875 -2.413 1.00 0.00 C ATOM 0 H VAL A 87 2.041 8.116 -4.444 1.00 0.00 H new ATOM 0 HA VAL A 87 3.168 10.359 -3.253 1.00 0.00 H new ATOM 0 HB VAL A 87 4.497 7.904 -4.433 1.00 0.00 H new ATOM 0 HG11 VAL A 87 6.398 8.459 -2.957 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.117 9.723 -4.178 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.590 9.976 -2.497 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.525 7.117 -2.094 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.639 8.580 -1.599 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.867 7.395 -2.679 1.00 0.00 H new ATOM 1240 N SER A 88 3.867 9.983 -6.453 1.00 0.00 N ATOM 1241 CA SER A 88 4.434 10.661 -7.606 1.00 0.00 C ATOM 1242 C SER A 88 3.659 11.939 -7.919 1.00 0.00 C ATOM 1243 O SER A 88 4.252 12.963 -8.250 1.00 0.00 O ATOM 1244 CB SER A 88 4.432 9.735 -8.822 1.00 0.00 C ATOM 1245 OG SER A 88 5.207 10.262 -9.887 1.00 0.00 O ATOM 0 H SER A 88 3.387 9.108 -6.666 1.00 0.00 H new ATOM 0 HA SER A 88 5.463 10.931 -7.369 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.824 8.759 -8.536 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.407 9.581 -9.160 1.00 0.00 H new ATOM 0 HG SER A 88 5.743 11.014 -9.560 1.00 0.00 H new ATOM 1251 N ARG A 89 2.332 11.895 -7.785 1.00 0.00 N ATOM 1252 CA ARG A 89 1.511 13.048 -8.146 1.00 0.00 C ATOM 1253 C ARG A 89 1.567 14.134 -7.073 1.00 0.00 C ATOM 1254 O ARG A 89 1.050 15.235 -7.262 1.00 0.00 O ATOM 1255 CB ARG A 89 0.059 12.637 -8.449 1.00 0.00 C ATOM 1256 CG ARG A 89 -0.802 12.255 -7.246 1.00 0.00 C ATOM 1257 CD ARG A 89 -2.212 11.916 -7.708 1.00 0.00 C ATOM 1258 NE ARG A 89 -3.172 11.825 -6.613 1.00 0.00 N ATOM 1259 CZ ARG A 89 -3.990 10.789 -6.423 1.00 0.00 C ATOM 1260 NH1 ARG A 89 -3.887 9.703 -7.180 1.00 0.00 N ATOM 1261 NH2 ARG A 89 -4.908 10.843 -5.464 1.00 0.00 N ATOM 0 H ARG A 89 1.813 11.089 -7.436 1.00 0.00 H new ATOM 0 HA ARG A 89 1.930 13.468 -9.061 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.428 13.461 -8.970 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.079 11.792 -9.137 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.363 11.401 -6.730 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.831 13.078 -6.532 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.548 12.675 -8.414 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.193 10.968 -8.245 1.00 0.00 H new ATOM 0 HE ARG A 89 -3.220 12.601 -5.953 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -3.179 9.657 -7.913 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -4.516 8.914 -7.029 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -4.985 11.674 -4.877 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -5.536 10.053 -5.314 1.00 0.00 H new ATOM 1275 N GLY A 90 2.195 13.823 -5.948 1.00 0.00 N ATOM 1276 CA GLY A 90 2.398 14.824 -4.916 1.00 0.00 C ATOM 1277 C GLY A 90 3.863 15.027 -4.578 1.00 0.00 C ATOM 1278 O GLY A 90 4.204 15.832 -3.713 1.00 0.00 O ATOM 0 H GLY A 90 2.567 12.899 -5.730 1.00 0.00 H new ATOM 0 HA2 GLY A 90 1.971 15.771 -5.245 1.00 0.00 H new ATOM 0 HA3 GLY A 90 1.859 14.527 -4.016 1.00 0.00 H new ATOM 1282 N ARG A 91 4.728 14.294 -5.264 1.00 0.00 N ATOM 1283 CA ARG A 91 6.164 14.340 -5.016 1.00 0.00 C ATOM 1284 C ARG A 91 6.910 13.715 -6.188 1.00 0.00 C ATOM 1285 O ARG A 91 6.977 12.493 -6.311 1.00 0.00 O ATOM 1286 CB ARG A 91 6.507 13.595 -3.715 1.00 0.00 C ATOM 1287 CG ARG A 91 7.999 13.471 -3.438 1.00 0.00 C ATOM 1288 CD ARG A 91 8.634 14.820 -3.143 1.00 0.00 C ATOM 1289 NE ARG A 91 10.092 14.726 -3.057 1.00 0.00 N ATOM 1290 CZ ARG A 91 10.826 15.309 -2.109 1.00 0.00 C ATOM 1291 NH1 ARG A 91 10.241 15.969 -1.116 1.00 0.00 N ATOM 1292 NH2 ARG A 91 12.149 15.222 -2.152 1.00 0.00 N ATOM 0 H ARG A 91 4.456 13.651 -6.008 1.00 0.00 H new ATOM 0 HA ARG A 91 6.470 15.381 -4.911 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.036 14.112 -2.879 1.00 0.00 H new ATOM 0 HB3 ARG A 91 6.073 12.596 -3.757 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.157 12.802 -2.592 1.00 0.00 H new ATOM 0 HG3 ARG A 91 8.492 13.018 -4.298 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.361 15.529 -3.924 1.00 0.00 H new ATOM 0 HD3 ARG A 91 8.239 15.211 -2.205 1.00 0.00 H new ATOM 0 HE ARG A 91 10.578 14.179 -3.768 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.224 16.032 -1.075 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.809 16.413 -0.394 1.00 0.00 H new ATOM 0 HH21 ARG A 91 12.602 14.710 -2.909 1.00 0.00 H new ATOM 0 HH22 ARG A 91 12.713 15.667 -1.428 1.00 0.00 H new ATOM 1306 N GLY A 92 7.450 14.553 -7.056 1.00 0.00 N ATOM 1307 CA GLY A 92 8.174 14.053 -8.203 1.00 0.00 C ATOM 1308 C GLY A 92 7.244 13.672 -9.336 1.00 0.00 C ATOM 1309 O GLY A 92 7.085 12.492 -9.656 1.00 0.00 O ATOM 0 H GLY A 92 7.400 15.569 -6.987 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.875 14.812 -8.549 1.00 0.00 H new ATOM 0 HA3 GLY A 92 8.764 13.184 -7.910 1.00 0.00 H new ATOM 1313 N GLY A 93 6.620 14.675 -9.932 1.00 0.00 N ATOM 1314 CA GLY A 93 5.705 14.441 -11.027 1.00 0.00 C ATOM 1315 C GLY A 93 5.736 15.579 -12.019 1.00 0.00 C ATOM 1316 O GLY A 93 6.536 15.520 -12.973 1.00 0.00 O ATOM 1317 OXT GLY A 93 4.985 16.557 -11.824 1.00 0.00 O ATOM 0 H GLY A 93 6.733 15.655 -9.674 1.00 0.00 H new ATOM 0 HA2 GLY A 93 5.966 13.510 -11.530 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.693 14.321 -10.639 1.00 0.00 H new TER 1321 GLY A 93