USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 529 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 23 ASN : amide:sc= 0.556 K(o=-1.9,f=-4.7) USER MOD Set 1.2: A 47 HIS :FLIP no HD1:sc= -2.5 F(o=-2.7,f=-1.9) USER MOD Single : A 14 HIS : no HD1:sc= -0.087 X(o=-0.087,f=-0.3) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 177:sc= -0.225 (180deg=-0.253) USER MOD Single : A 33 THR OG1 : rot -81:sc= 0.444 USER MOD Single : A 35 SER OG : rot 176:sc= 1.6 USER MOD Single : A 38 SER OG : rot 123:sc= -3.51! USER MOD Single : A 39 THR OG1 : rot 93:sc= 0.266 USER MOD Single : A 44 MET CE :methyl -110:sc= -12.3! (180deg=-18!) USER MOD Single : A 48 THR OG1 : rot -53:sc= 1.24 USER MOD Single : A 52 TYR OH : rot -140:sc= -0.177 USER MOD Single : A 53 ASN : amide:sc= 0.557 K(o=0.56,f=-4.8!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN :FLIP amide:sc= -0.549 F(o=-1.6,f=-0.55) USER MOD Single : A 57 HIS :FLIP no HE2:sc= -2.31 F(o=-2.9,f=-2.3) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.918 USER MOD Single : A 65 ASN : amide:sc= 0.378 X(o=0.38,f=0) USER MOD Single : A 66 MET CE :methyl 141:sc= -0.687 (180deg=-2.76!) USER MOD Single : A 69 HIS :FLIP no HD1:sc= -5.31! C(o=-8.3!,f=-5.3!) USER MOD Single : A 70 LYS NZ :NH3+ -131:sc= -0.063 (180deg=-0.816) USER MOD ----------------------------------------------------------------- ATOM 24 N PHE A 10 9.840 4.118 -9.700 1.00 0.00 N ATOM 25 CA PHE A 10 10.992 3.840 -8.789 1.00 0.00 C ATOM 26 C PHE A 10 10.508 3.060 -7.560 1.00 0.00 C ATOM 27 O PHE A 10 9.429 3.296 -7.047 1.00 0.00 O ATOM 28 CB PHE A 10 11.539 5.232 -8.410 1.00 0.00 C ATOM 29 CG PHE A 10 11.939 5.297 -6.944 1.00 0.00 C ATOM 30 CD1 PHE A 10 10.981 5.615 -5.972 1.00 0.00 C ATOM 31 CD2 PHE A 10 13.267 5.058 -6.562 1.00 0.00 C ATOM 32 CE1 PHE A 10 11.346 5.694 -4.625 1.00 0.00 C ATOM 33 CE2 PHE A 10 13.632 5.135 -5.211 1.00 0.00 C ATOM 34 CZ PHE A 10 12.673 5.454 -4.242 1.00 0.00 C ATOM 0 HA PHE A 10 11.766 3.227 -9.251 1.00 0.00 H new ATOM 0 HB2 PHE A 10 12.402 5.467 -9.034 1.00 0.00 H new ATOM 0 HB3 PHE A 10 10.782 5.989 -8.615 1.00 0.00 H new ATOM 0 HD1 PHE A 10 9.958 5.800 -6.264 1.00 0.00 H new ATOM 0 HD2 PHE A 10 14.008 4.815 -7.309 1.00 0.00 H new ATOM 0 HE1 PHE A 10 10.605 5.940 -3.879 1.00 0.00 H new ATOM 0 HE2 PHE A 10 14.654 4.948 -4.917 1.00 0.00 H new ATOM 0 HZ PHE A 10 12.955 5.515 -3.201 1.00 0.00 H new ATOM 44 N VAL A 11 11.309 2.146 -7.081 1.00 0.00 N ATOM 45 CA VAL A 11 10.925 1.358 -5.877 1.00 0.00 C ATOM 46 C VAL A 11 11.742 1.871 -4.696 1.00 0.00 C ATOM 47 O VAL A 11 12.958 1.817 -4.712 1.00 0.00 O ATOM 48 CB VAL A 11 11.281 -0.098 -6.204 1.00 0.00 C ATOM 49 CG1 VAL A 11 11.076 -0.970 -4.961 1.00 0.00 C ATOM 50 CG2 VAL A 11 10.377 -0.606 -7.332 1.00 0.00 C ATOM 0 H VAL A 11 12.219 1.911 -7.476 1.00 0.00 H new ATOM 0 HA VAL A 11 9.869 1.444 -5.622 1.00 0.00 H new ATOM 0 HB VAL A 11 12.323 -0.151 -6.518 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.330 -2.004 -5.196 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.718 -0.613 -4.156 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.034 -0.915 -4.646 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.631 -1.640 -7.564 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.335 -0.550 -7.017 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.521 0.010 -8.219 1.00 0.00 H new ATOM 60 N ASP A 12 11.088 2.402 -3.693 1.00 0.00 N ATOM 61 CA ASP A 12 11.828 2.955 -2.523 1.00 0.00 C ATOM 62 C ASP A 12 12.951 2.018 -2.068 1.00 0.00 C ATOM 63 O ASP A 12 12.710 0.941 -1.560 1.00 0.00 O ATOM 64 CB ASP A 12 10.787 3.123 -1.415 1.00 0.00 C ATOM 65 CG ASP A 12 11.412 3.887 -0.244 1.00 0.00 C ATOM 66 OD1 ASP A 12 11.830 5.015 -0.450 1.00 0.00 O ATOM 67 OD2 ASP A 12 11.460 3.332 0.839 1.00 0.00 O ATOM 0 H ASP A 12 10.072 2.475 -3.636 1.00 0.00 H new ATOM 0 HA ASP A 12 12.308 3.899 -2.779 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.919 3.663 -1.794 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.434 2.147 -1.081 1.00 0.00 H new ATOM 72 N ASP A 13 14.177 2.444 -2.233 1.00 0.00 N ATOM 73 CA ASP A 13 15.330 1.615 -1.799 1.00 0.00 C ATOM 74 C ASP A 13 15.387 1.597 -0.269 1.00 0.00 C ATOM 75 O ASP A 13 15.954 0.704 0.334 1.00 0.00 O ATOM 76 CB ASP A 13 16.563 2.313 -2.381 1.00 0.00 C ATOM 77 CG ASP A 13 17.748 1.344 -2.383 1.00 0.00 C ATOM 78 OD1 ASP A 13 17.864 0.583 -3.329 1.00 0.00 O ATOM 79 OD2 ASP A 13 18.518 1.379 -1.437 1.00 0.00 O ATOM 0 H ASP A 13 14.426 3.339 -2.654 1.00 0.00 H new ATOM 0 HA ASP A 13 15.262 0.581 -2.136 1.00 0.00 H new ATOM 0 HB2 ASP A 13 16.356 2.653 -3.396 1.00 0.00 H new ATOM 0 HB3 ASP A 13 16.805 3.198 -1.792 1.00 0.00 H new ATOM 84 N HIS A 14 14.787 2.583 0.356 1.00 0.00 N ATOM 85 CA HIS A 14 14.778 2.653 1.843 1.00 0.00 C ATOM 86 C HIS A 14 13.885 1.547 2.427 1.00 0.00 C ATOM 87 O HIS A 14 14.083 1.110 3.545 1.00 0.00 O ATOM 88 CB HIS A 14 14.214 4.042 2.160 1.00 0.00 C ATOM 89 CG HIS A 14 15.035 4.688 3.242 1.00 0.00 C ATOM 90 ND1 HIS A 14 16.410 4.839 3.142 1.00 0.00 N ATOM 91 CD2 HIS A 14 14.688 5.228 4.456 1.00 0.00 C ATOM 92 CE1 HIS A 14 16.835 5.445 4.266 1.00 0.00 C ATOM 93 NE2 HIS A 14 15.826 5.704 5.100 1.00 0.00 N ATOM 0 H HIS A 14 14.299 3.348 -0.111 1.00 0.00 H new ATOM 0 HA HIS A 14 15.768 2.506 2.275 1.00 0.00 H new ATOM 0 HB2 HIS A 14 14.224 4.662 1.264 1.00 0.00 H new ATOM 0 HB3 HIS A 14 13.175 3.959 2.479 1.00 0.00 H new ATOM 0 HD2 HIS A 14 13.684 5.276 4.851 1.00 0.00 H new ATOM 0 HE1 HIS A 14 17.867 5.692 4.468 1.00 0.00 H new ATOM 0 HE2 HIS A 14 15.878 6.154 6.014 1.00 0.00 H new ATOM 101 N LEU A 15 12.920 1.075 1.672 1.00 0.00 N ATOM 102 CA LEU A 15 12.038 -0.019 2.174 1.00 0.00 C ATOM 103 C LEU A 15 12.800 -1.336 2.073 1.00 0.00 C ATOM 104 O LEU A 15 12.702 -2.195 2.923 1.00 0.00 O ATOM 105 CB LEU A 15 10.801 -0.005 1.254 1.00 0.00 C ATOM 106 CG LEU A 15 10.991 -0.927 0.035 1.00 0.00 C ATOM 107 CD1 LEU A 15 10.729 -2.384 0.423 1.00 0.00 C ATOM 108 CD2 LEU A 15 10.010 -0.516 -1.069 1.00 0.00 C ATOM 0 H LEU A 15 12.708 1.403 0.730 1.00 0.00 H new ATOM 0 HA LEU A 15 11.738 0.107 3.214 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.924 -0.322 1.818 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.611 1.013 0.915 1.00 0.00 H new ATOM 0 HG LEU A 15 12.017 -0.833 -0.322 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.867 -3.023 -0.449 1.00 0.00 H new ATOM 0 HD12 LEU A 15 11.426 -2.683 1.206 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.707 -2.485 0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 15 10.142 -1.167 -1.934 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.988 -0.606 -0.700 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.201 0.517 -1.360 1.00 0.00 H new ATOM 120 N LEU A 16 13.565 -1.473 1.024 1.00 0.00 N ATOM 121 CA LEU A 16 14.370 -2.710 0.813 1.00 0.00 C ATOM 122 C LEU A 16 15.377 -2.866 1.941 1.00 0.00 C ATOM 123 O LEU A 16 15.507 -3.926 2.519 1.00 0.00 O ATOM 124 CB LEU A 16 15.084 -2.504 -0.513 1.00 0.00 C ATOM 125 CG LEU A 16 14.138 -2.891 -1.639 1.00 0.00 C ATOM 126 CD1 LEU A 16 14.080 -1.757 -2.659 1.00 0.00 C ATOM 127 CD2 LEU A 16 14.642 -4.170 -2.301 1.00 0.00 C ATOM 0 H LEU A 16 13.668 -0.769 0.293 1.00 0.00 H new ATOM 0 HA LEU A 16 13.753 -3.609 0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 16 15.393 -1.464 -0.619 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.989 -3.111 -0.554 1.00 0.00 H new ATOM 0 HG LEU A 16 13.137 -3.065 -1.243 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.403 -2.030 -3.468 1.00 0.00 H new ATOM 0 HD12 LEU A 16 13.719 -0.850 -2.174 1.00 0.00 H new ATOM 0 HD13 LEU A 16 15.077 -1.580 -3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.967 -4.452 -3.109 1.00 0.00 H new ATOM 0 HD22 LEU A 16 15.641 -4.002 -2.704 1.00 0.00 H new ATOM 0 HD23 LEU A 16 14.679 -4.971 -1.563 1.00 0.00 H new ATOM 139 N GLU A 17 16.075 -1.805 2.268 1.00 0.00 N ATOM 140 CA GLU A 17 17.074 -1.867 3.383 1.00 0.00 C ATOM 141 C GLU A 17 16.426 -2.462 4.650 1.00 0.00 C ATOM 142 O GLU A 17 17.104 -3.000 5.505 1.00 0.00 O ATOM 143 CB GLU A 17 17.524 -0.409 3.598 1.00 0.00 C ATOM 144 CG GLU A 17 16.883 0.173 4.864 1.00 0.00 C ATOM 145 CD GLU A 17 17.075 1.694 4.895 1.00 0.00 C ATOM 146 OE1 GLU A 17 18.199 2.139 4.721 1.00 0.00 O ATOM 147 OE2 GLU A 17 16.095 2.388 5.099 1.00 0.00 O ATOM 0 H GLU A 17 15.996 -0.897 1.810 1.00 0.00 H new ATOM 0 HA GLU A 17 17.923 -2.510 3.151 1.00 0.00 H new ATOM 0 HB2 GLU A 17 18.610 -0.367 3.681 1.00 0.00 H new ATOM 0 HB3 GLU A 17 17.247 0.194 2.733 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.820 -0.069 4.888 1.00 0.00 H new ATOM 0 HG3 GLU A 17 17.332 -0.277 5.749 1.00 0.00 H new ATOM 154 N LYS A 18 15.117 -2.377 4.764 1.00 0.00 N ATOM 155 CA LYS A 18 14.421 -2.941 5.958 1.00 0.00 C ATOM 156 C LYS A 18 13.683 -4.240 5.590 1.00 0.00 C ATOM 157 O LYS A 18 13.574 -5.142 6.398 1.00 0.00 O ATOM 158 CB LYS A 18 13.419 -1.860 6.373 1.00 0.00 C ATOM 159 CG LYS A 18 14.133 -0.773 7.179 1.00 0.00 C ATOM 160 CD LYS A 18 13.443 0.574 6.945 1.00 0.00 C ATOM 161 CE LYS A 18 14.308 1.704 7.512 1.00 0.00 C ATOM 162 NZ LYS A 18 13.827 1.905 8.910 1.00 0.00 N ATOM 0 H LYS A 18 14.504 -1.939 4.076 1.00 0.00 H new ATOM 0 HA LYS A 18 15.117 -3.191 6.759 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.954 -1.424 5.489 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.620 -2.301 6.969 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.117 -1.022 8.240 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.180 -0.714 6.882 1.00 0.00 H new ATOM 0 HD2 LYS A 18 13.279 0.729 5.879 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.463 0.579 7.422 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.365 1.437 7.494 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.199 2.615 6.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.376 2.665 9.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 12.820 2.166 8.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.949 1.024 9.449 1.00 0.00 H new ATOM 176 N VAL A 19 13.168 -4.338 4.383 1.00 0.00 N ATOM 177 CA VAL A 19 12.427 -5.575 3.975 1.00 0.00 C ATOM 178 C VAL A 19 13.384 -6.748 3.740 1.00 0.00 C ATOM 179 O VAL A 19 13.090 -7.868 4.106 1.00 0.00 O ATOM 180 CB VAL A 19 11.692 -5.205 2.682 1.00 0.00 C ATOM 181 CG1 VAL A 19 12.590 -5.451 1.466 1.00 0.00 C ATOM 182 CG2 VAL A 19 10.433 -6.065 2.572 1.00 0.00 C ATOM 0 H VAL A 19 13.230 -3.615 3.666 1.00 0.00 H new ATOM 0 HA VAL A 19 11.738 -5.899 4.755 1.00 0.00 H new ATOM 0 HB VAL A 19 11.427 -4.148 2.706 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.052 -5.183 0.556 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.490 -4.841 1.549 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.868 -6.504 1.426 1.00 0.00 H new ATOM 0 HG21 VAL A 19 9.899 -5.813 1.656 1.00 0.00 H new ATOM 0 HG22 VAL A 19 10.713 -7.118 2.551 1.00 0.00 H new ATOM 0 HG23 VAL A 19 9.788 -5.878 3.431 1.00 0.00 H new ATOM 192 N LEU A 20 14.526 -6.502 3.143 1.00 0.00 N ATOM 193 CA LEU A 20 15.495 -7.615 2.908 1.00 0.00 C ATOM 194 C LEU A 20 15.939 -8.155 4.262 1.00 0.00 C ATOM 195 O LEU A 20 16.267 -9.318 4.404 1.00 0.00 O ATOM 196 CB LEU A 20 16.668 -7.015 2.115 1.00 0.00 C ATOM 197 CG LEU A 20 17.488 -6.058 2.990 1.00 0.00 C ATOM 198 CD1 LEU A 20 18.610 -6.829 3.691 1.00 0.00 C ATOM 199 CD2 LEU A 20 18.098 -4.970 2.104 1.00 0.00 C ATOM 0 H LEU A 20 14.826 -5.585 2.811 1.00 0.00 H new ATOM 0 HA LEU A 20 15.064 -8.443 2.345 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.309 -7.815 1.745 1.00 0.00 H new ATOM 0 HB3 LEU A 20 16.288 -6.482 1.243 1.00 0.00 H new ATOM 0 HG LEU A 20 16.840 -5.606 3.741 1.00 0.00 H new ATOM 0 HD11 LEU A 20 19.189 -6.145 4.311 1.00 0.00 H new ATOM 0 HD12 LEU A 20 18.179 -7.610 4.318 1.00 0.00 H new ATOM 0 HD13 LEU A 20 19.262 -7.282 2.944 1.00 0.00 H new ATOM 0 HD21 LEU A 20 18.683 -4.286 2.719 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.745 -5.430 1.357 1.00 0.00 H new ATOM 0 HD23 LEU A 20 17.301 -4.419 1.604 1.00 0.00 H new ATOM 211 N GLU A 21 15.903 -7.316 5.269 1.00 0.00 N ATOM 212 CA GLU A 21 16.268 -7.766 6.628 1.00 0.00 C ATOM 213 C GLU A 21 15.139 -8.646 7.172 1.00 0.00 C ATOM 214 O GLU A 21 15.371 -9.588 7.905 1.00 0.00 O ATOM 215 CB GLU A 21 16.402 -6.486 7.454 1.00 0.00 C ATOM 216 CG GLU A 21 16.961 -6.816 8.843 1.00 0.00 C ATOM 217 CD GLU A 21 15.818 -6.857 9.863 1.00 0.00 C ATOM 218 OE1 GLU A 21 15.286 -5.804 10.173 1.00 0.00 O ATOM 219 OE2 GLU A 21 15.495 -7.943 10.317 1.00 0.00 O ATOM 0 H GLU A 21 15.633 -6.335 5.197 1.00 0.00 H new ATOM 0 HA GLU A 21 17.189 -8.348 6.653 1.00 0.00 H new ATOM 0 HB2 GLU A 21 17.061 -5.782 6.945 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.430 -6.001 7.549 1.00 0.00 H new ATOM 0 HG2 GLU A 21 17.475 -7.777 8.820 1.00 0.00 H new ATOM 0 HG3 GLU A 21 17.697 -6.067 9.137 1.00 0.00 H new ATOM 226 N LEU A 22 13.913 -8.353 6.790 1.00 0.00 N ATOM 227 CA LEU A 22 12.762 -9.178 7.255 1.00 0.00 C ATOM 228 C LEU A 22 12.706 -10.476 6.446 1.00 0.00 C ATOM 229 O LEU A 22 12.191 -11.478 6.901 1.00 0.00 O ATOM 230 CB LEU A 22 11.517 -8.318 6.996 1.00 0.00 C ATOM 231 CG LEU A 22 11.487 -7.083 7.919 1.00 0.00 C ATOM 232 CD1 LEU A 22 10.053 -6.842 8.394 1.00 0.00 C ATOM 233 CD2 LEU A 22 12.392 -7.288 9.142 1.00 0.00 C ATOM 0 H LEU A 22 13.667 -7.576 6.176 1.00 0.00 H new ATOM 0 HA LEU A 22 12.841 -9.455 8.306 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.505 -7.997 5.955 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.620 -8.916 7.156 1.00 0.00 H new ATOM 0 HG LEU A 22 11.851 -6.223 7.356 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.028 -5.970 9.047 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.408 -6.669 7.532 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.700 -7.715 8.942 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.353 -6.402 9.776 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.049 -8.155 9.707 1.00 0.00 H new ATOM 0 HD23 LEU A 22 13.418 -7.453 8.812 1.00 0.00 H new ATOM 245 N ASN A 23 13.260 -10.472 5.256 1.00 0.00 N ATOM 246 CA ASN A 23 13.271 -11.714 4.425 1.00 0.00 C ATOM 247 C ASN A 23 14.442 -12.612 4.854 1.00 0.00 C ATOM 248 O ASN A 23 14.523 -13.764 4.469 1.00 0.00 O ATOM 249 CB ASN A 23 13.464 -11.238 2.983 1.00 0.00 C ATOM 250 CG ASN A 23 12.125 -10.762 2.414 1.00 0.00 C ATOM 251 OD1 ASN A 23 11.229 -11.552 2.192 1.00 0.00 O ATOM 252 ND2 ASN A 23 11.951 -9.495 2.163 1.00 0.00 N ATOM 0 H ASN A 23 13.705 -9.661 4.826 1.00 0.00 H new ATOM 0 HA ASN A 23 12.355 -12.294 4.536 1.00 0.00 H new ATOM 0 HB2 ASN A 23 14.192 -10.428 2.952 1.00 0.00 H new ATOM 0 HB3 ASN A 23 13.862 -12.048 2.372 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.064 -9.168 1.781 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.702 -8.830 2.349 1.00 0.00 H new ATOM 259 N ALA A 24 15.347 -12.090 5.656 1.00 0.00 N ATOM 260 CA ALA A 24 16.505 -12.890 6.119 1.00 0.00 C ATOM 261 C ALA A 24 16.107 -13.731 7.332 1.00 0.00 C ATOM 262 O ALA A 24 16.504 -14.875 7.456 1.00 0.00 O ATOM 263 CB ALA A 24 17.563 -11.860 6.512 1.00 0.00 C ATOM 0 H ALA A 24 15.322 -11.132 6.006 1.00 0.00 H new ATOM 0 HA ALA A 24 16.867 -13.578 5.355 1.00 0.00 H new ATOM 0 HB1 ALA A 24 18.456 -12.374 6.867 1.00 0.00 H new ATOM 0 HB2 ALA A 24 17.816 -11.249 5.645 1.00 0.00 H new ATOM 0 HB3 ALA A 24 17.172 -11.221 7.304 1.00 0.00 H new ATOM 269 N LYS A 25 15.323 -13.174 8.227 1.00 0.00 N ATOM 270 CA LYS A 25 14.904 -13.951 9.427 1.00 0.00 C ATOM 271 C LYS A 25 13.454 -14.439 9.272 1.00 0.00 C ATOM 272 O LYS A 25 13.052 -15.407 9.889 1.00 0.00 O ATOM 273 CB LYS A 25 15.070 -12.984 10.614 1.00 0.00 C ATOM 274 CG LYS A 25 13.762 -12.238 10.904 1.00 0.00 C ATOM 275 CD LYS A 25 12.962 -12.999 11.966 1.00 0.00 C ATOM 276 CE LYS A 25 13.300 -12.451 13.356 1.00 0.00 C ATOM 277 NZ LYS A 25 12.255 -13.009 14.261 1.00 0.00 N ATOM 0 H LYS A 25 14.960 -12.222 8.175 1.00 0.00 H new ATOM 0 HA LYS A 25 15.502 -14.850 9.573 1.00 0.00 H new ATOM 0 HB2 LYS A 25 15.380 -13.539 11.499 1.00 0.00 H new ATOM 0 HB3 LYS A 25 15.861 -12.267 10.395 1.00 0.00 H new ATOM 0 HG2 LYS A 25 13.977 -11.227 11.251 1.00 0.00 H new ATOM 0 HG3 LYS A 25 13.175 -12.143 9.990 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.894 -12.897 11.774 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.194 -14.063 11.917 1.00 0.00 H new ATOM 0 HE2 LYS A 25 14.297 -12.759 13.669 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.286 -11.361 13.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.423 -12.676 15.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.316 -12.693 13.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.296 -14.048 14.240 1.00 0.00 H new ATOM 291 N GLY A 26 12.673 -13.778 8.452 1.00 0.00 N ATOM 292 CA GLY A 26 11.255 -14.201 8.251 1.00 0.00 C ATOM 293 C GLY A 26 10.322 -13.280 9.044 1.00 0.00 C ATOM 294 O GLY A 26 9.255 -13.684 9.469 1.00 0.00 O ATOM 0 H GLY A 26 12.959 -12.961 7.912 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.002 -14.165 7.191 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.124 -15.233 8.576 1.00 0.00 H new ATOM 298 N GLU A 27 10.715 -12.045 9.247 1.00 0.00 N ATOM 299 CA GLU A 27 9.851 -11.094 10.014 1.00 0.00 C ATOM 300 C GLU A 27 8.683 -10.606 9.149 1.00 0.00 C ATOM 301 O GLU A 27 8.870 -10.159 8.032 1.00 0.00 O ATOM 302 CB GLU A 27 10.760 -9.918 10.373 1.00 0.00 C ATOM 303 CG GLU A 27 11.242 -10.058 11.818 1.00 0.00 C ATOM 304 CD GLU A 27 12.157 -8.881 12.167 1.00 0.00 C ATOM 305 OE1 GLU A 27 11.636 -7.814 12.452 1.00 0.00 O ATOM 306 OE2 GLU A 27 13.362 -9.065 12.142 1.00 0.00 O ATOM 0 H GLU A 27 11.597 -11.655 8.914 1.00 0.00 H new ATOM 0 HA GLU A 27 9.421 -11.568 10.897 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.614 -9.887 9.696 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.221 -8.979 10.249 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.389 -10.083 12.496 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.778 -10.999 11.944 1.00 0.00 H new ATOM 313 N LYS A 28 7.484 -10.673 9.668 1.00 0.00 N ATOM 314 CA LYS A 28 6.297 -10.198 8.895 1.00 0.00 C ATOM 315 C LYS A 28 5.797 -8.876 9.495 1.00 0.00 C ATOM 316 O LYS A 28 4.669 -8.765 9.940 1.00 0.00 O ATOM 317 CB LYS A 28 5.248 -11.305 9.046 1.00 0.00 C ATOM 318 CG LYS A 28 5.448 -12.350 7.946 1.00 0.00 C ATOM 319 CD LYS A 28 4.353 -13.416 8.043 1.00 0.00 C ATOM 320 CE LYS A 28 4.764 -14.486 9.061 1.00 0.00 C ATOM 321 NZ LYS A 28 5.500 -15.516 8.273 1.00 0.00 N ATOM 0 H LYS A 28 7.275 -11.038 10.597 1.00 0.00 H new ATOM 0 HA LYS A 28 6.522 -10.011 7.845 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.335 -11.772 10.027 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.245 -10.882 8.983 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.418 -11.872 6.967 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.430 -12.813 8.045 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.411 -12.957 8.343 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.189 -13.873 7.067 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.395 -14.063 9.843 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.892 -14.916 9.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.812 -16.280 8.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.873 -15.907 7.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.330 -15.080 7.822 1.00 0.00 H new ATOM 335 N ARG A 29 6.642 -7.873 9.511 1.00 0.00 N ATOM 336 CA ARG A 29 6.246 -6.552 10.081 1.00 0.00 C ATOM 337 C ARG A 29 5.939 -5.565 8.951 1.00 0.00 C ATOM 338 O ARG A 29 5.574 -5.955 7.857 1.00 0.00 O ATOM 339 CB ARG A 29 7.464 -6.093 10.891 1.00 0.00 C ATOM 340 CG ARG A 29 7.002 -5.464 12.208 1.00 0.00 C ATOM 341 CD ARG A 29 8.116 -4.573 12.769 1.00 0.00 C ATOM 342 NE ARG A 29 7.948 -3.261 12.081 1.00 0.00 N ATOM 343 CZ ARG A 29 7.566 -2.210 12.758 1.00 0.00 C ATOM 344 NH1 ARG A 29 8.420 -1.252 13.012 1.00 0.00 N ATOM 345 NH2 ARG A 29 6.331 -2.116 13.178 1.00 0.00 N ATOM 0 H ARG A 29 7.595 -7.916 9.150 1.00 0.00 H new ATOM 0 HA ARG A 29 5.350 -6.613 10.698 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.119 -6.941 11.092 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.044 -5.371 10.316 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.099 -4.876 12.045 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.749 -6.244 12.926 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.028 -4.465 13.850 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.099 -4.999 12.570 1.00 0.00 H new ATOM 0 HE ARG A 29 8.131 -3.183 11.081 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.382 -1.326 12.682 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.124 -0.431 13.540 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.666 -2.863 12.977 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.033 -1.296 13.706 1.00 0.00 H new ATOM 359 N LEU A 30 6.081 -4.291 9.212 1.00 0.00 N ATOM 360 CA LEU A 30 5.796 -3.276 8.162 1.00 0.00 C ATOM 361 C LEU A 30 7.022 -2.371 7.954 1.00 0.00 C ATOM 362 O LEU A 30 7.741 -2.058 8.886 1.00 0.00 O ATOM 363 CB LEU A 30 4.575 -2.500 8.701 1.00 0.00 C ATOM 364 CG LEU A 30 4.907 -1.016 8.928 1.00 0.00 C ATOM 365 CD1 LEU A 30 3.648 -0.172 8.719 1.00 0.00 C ATOM 366 CD2 LEU A 30 5.420 -0.827 10.358 1.00 0.00 C ATOM 0 H LEU A 30 6.383 -3.912 10.110 1.00 0.00 H new ATOM 0 HA LEU A 30 5.586 -3.711 7.185 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.748 -2.585 7.996 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.243 -2.947 9.638 1.00 0.00 H new ATOM 0 HG LEU A 30 5.673 -0.700 8.220 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.884 0.880 8.880 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.282 -0.310 7.702 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.879 -0.484 9.426 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.657 0.224 10.524 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.652 -1.142 11.065 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.317 -1.429 10.505 1.00 0.00 H new ATOM 378 N ILE A 31 7.253 -1.948 6.737 1.00 0.00 N ATOM 379 CA ILE A 31 8.421 -1.055 6.451 1.00 0.00 C ATOM 380 C ILE A 31 7.914 0.320 5.994 1.00 0.00 C ATOM 381 O ILE A 31 7.211 0.437 5.011 1.00 0.00 O ATOM 382 CB ILE A 31 9.210 -1.763 5.340 1.00 0.00 C ATOM 383 CG1 ILE A 31 9.836 -3.043 5.906 1.00 0.00 C ATOM 384 CG2 ILE A 31 10.322 -0.842 4.818 1.00 0.00 C ATOM 385 CD1 ILE A 31 9.249 -4.262 5.194 1.00 0.00 C ATOM 0 H ILE A 31 6.682 -2.183 5.925 1.00 0.00 H new ATOM 0 HA ILE A 31 9.049 -0.885 7.325 1.00 0.00 H new ATOM 0 HB ILE A 31 8.536 -2.009 4.520 1.00 0.00 H new ATOM 0 HG12 ILE A 31 10.918 -3.019 5.775 1.00 0.00 H new ATOM 0 HG13 ILE A 31 9.646 -3.109 6.977 1.00 0.00 H new ATOM 0 HG21 ILE A 31 10.877 -1.352 4.030 1.00 0.00 H new ATOM 0 HG22 ILE A 31 9.881 0.071 4.418 1.00 0.00 H new ATOM 0 HG23 ILE A 31 10.999 -0.590 5.634 1.00 0.00 H new ATOM 0 HD11 ILE A 31 9.696 -5.170 5.599 1.00 0.00 H new ATOM 0 HD12 ILE A 31 8.170 -4.289 5.348 1.00 0.00 H new ATOM 0 HD13 ILE A 31 9.462 -4.197 4.127 1.00 0.00 H new ATOM 397 N LYS A 32 8.254 1.356 6.716 1.00 0.00 N ATOM 398 CA LYS A 32 7.779 2.727 6.344 1.00 0.00 C ATOM 399 C LYS A 32 8.623 3.317 5.205 1.00 0.00 C ATOM 400 O LYS A 32 9.768 2.954 5.013 1.00 0.00 O ATOM 401 CB LYS A 32 7.939 3.570 7.616 1.00 0.00 C ATOM 402 CG LYS A 32 7.127 2.958 8.766 1.00 0.00 C ATOM 403 CD LYS A 32 5.682 2.727 8.317 1.00 0.00 C ATOM 404 CE LYS A 32 4.731 2.967 9.494 1.00 0.00 C ATOM 405 NZ LYS A 32 3.435 3.370 8.873 1.00 0.00 N ATOM 0 H LYS A 32 8.841 1.314 7.549 1.00 0.00 H new ATOM 0 HA LYS A 32 6.749 2.708 5.988 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.992 3.625 7.894 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.605 4.590 7.429 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.575 2.015 9.078 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.147 3.622 9.630 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.435 3.398 7.495 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.565 1.709 7.944 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.616 2.066 10.097 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.111 3.747 10.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.720 3.502 9.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.562 4.261 8.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.119 2.628 8.216 1.00 0.00 H new ATOM 419 N THR A 33 8.053 4.227 4.448 1.00 0.00 N ATOM 420 CA THR A 33 8.800 4.857 3.313 1.00 0.00 C ATOM 421 C THR A 33 8.455 6.353 3.219 1.00 0.00 C ATOM 422 O THR A 33 7.390 6.771 3.631 1.00 0.00 O ATOM 423 CB THR A 33 8.313 4.111 2.066 1.00 0.00 C ATOM 424 OG1 THR A 33 8.811 2.778 2.083 1.00 0.00 O ATOM 425 CG2 THR A 33 8.807 4.827 0.810 1.00 0.00 C ATOM 0 H THR A 33 7.097 4.561 4.569 1.00 0.00 H new ATOM 0 HA THR A 33 9.881 4.789 3.434 1.00 0.00 H new ATOM 0 HB THR A 33 7.223 4.090 2.062 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.734 2.769 1.754 1.00 0.00 H new ATOM 0 HG21 THR A 33 8.458 4.293 -0.074 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.419 5.845 0.795 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.897 4.854 0.811 1.00 0.00 H new ATOM 433 N TRP A 34 9.348 7.162 2.685 1.00 0.00 N ATOM 434 CA TRP A 34 9.064 8.635 2.574 1.00 0.00 C ATOM 435 C TRP A 34 9.663 9.226 1.284 1.00 0.00 C ATOM 436 O TRP A 34 10.113 10.358 1.273 1.00 0.00 O ATOM 437 CB TRP A 34 9.743 9.278 3.789 1.00 0.00 C ATOM 438 CG TRP A 34 9.286 8.625 5.052 1.00 0.00 C ATOM 439 CD1 TRP A 34 8.192 8.979 5.759 1.00 0.00 C ATOM 440 CD2 TRP A 34 9.897 7.515 5.765 1.00 0.00 C ATOM 441 NE1 TRP A 34 8.096 8.160 6.870 1.00 0.00 N ATOM 442 CE2 TRP A 34 9.127 7.241 6.917 1.00 0.00 C ATOM 443 CE3 TRP A 34 11.036 6.732 5.523 1.00 0.00 C ATOM 444 CZ2 TRP A 34 9.477 6.222 7.803 1.00 0.00 C ATOM 445 CZ3 TRP A 34 11.393 5.705 6.411 1.00 0.00 C ATOM 446 CH2 TRP A 34 10.616 5.451 7.549 1.00 0.00 C ATOM 0 H TRP A 34 10.255 6.868 2.324 1.00 0.00 H new ATOM 0 HA TRP A 34 7.990 8.820 2.544 1.00 0.00 H new ATOM 0 HB2 TRP A 34 10.825 9.188 3.698 1.00 0.00 H new ATOM 0 HB3 TRP A 34 9.513 10.343 3.820 1.00 0.00 H new ATOM 0 HD1 TRP A 34 7.505 9.771 5.500 1.00 0.00 H new ATOM 0 HE1 TRP A 34 7.355 8.226 7.568 1.00 0.00 H new ATOM 0 HE3 TRP A 34 11.641 6.920 4.649 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 8.874 6.030 8.678 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 12.271 5.107 6.216 1.00 0.00 H new ATOM 0 HH2 TRP A 34 10.896 4.661 8.229 1.00 0.00 H new ATOM 457 N SER A 35 9.680 8.485 0.204 1.00 0.00 N ATOM 458 CA SER A 35 10.261 9.034 -1.064 1.00 0.00 C ATOM 459 C SER A 35 9.208 9.859 -1.830 1.00 0.00 C ATOM 460 O SER A 35 9.014 11.026 -1.547 1.00 0.00 O ATOM 461 CB SER A 35 10.717 7.809 -1.862 1.00 0.00 C ATOM 462 OG SER A 35 11.353 8.239 -3.058 1.00 0.00 O ATOM 0 H SER A 35 9.321 7.532 0.143 1.00 0.00 H new ATOM 0 HA SER A 35 11.093 9.713 -0.879 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.404 7.208 -1.267 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.862 7.176 -2.098 1.00 0.00 H new ATOM 0 HG SER A 35 11.701 7.461 -3.541 1.00 0.00 H new ATOM 468 N ARG A 36 8.528 9.270 -2.792 1.00 0.00 N ATOM 469 CA ARG A 36 7.492 10.024 -3.572 1.00 0.00 C ATOM 470 C ARG A 36 6.721 9.054 -4.477 1.00 0.00 C ATOM 471 O ARG A 36 5.527 8.872 -4.332 1.00 0.00 O ATOM 472 CB ARG A 36 8.272 11.039 -4.417 1.00 0.00 C ATOM 473 CG ARG A 36 7.882 12.461 -4.003 1.00 0.00 C ATOM 474 CD ARG A 36 8.899 13.457 -4.569 1.00 0.00 C ATOM 475 NE ARG A 36 10.093 13.340 -3.682 1.00 0.00 N ATOM 476 CZ ARG A 36 11.225 12.894 -4.163 1.00 0.00 C ATOM 477 NH1 ARG A 36 11.673 11.721 -3.797 1.00 0.00 N ATOM 478 NH2 ARG A 36 11.909 13.621 -5.009 1.00 0.00 N ATOM 0 H ARG A 36 8.648 8.296 -3.070 1.00 0.00 H new ATOM 0 HA ARG A 36 6.766 10.517 -2.925 1.00 0.00 H new ATOM 0 HB2 ARG A 36 9.344 10.892 -4.283 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.059 10.886 -5.475 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.883 12.697 -4.371 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.848 12.538 -2.916 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.151 13.219 -5.602 1.00 0.00 H new ATOM 0 HD3 ARG A 36 8.502 14.472 -4.563 1.00 0.00 H new ATOM 0 HE ARG A 36 10.027 13.608 -2.700 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.140 11.155 -3.137 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.555 11.373 -4.172 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.560 14.536 -5.294 1.00 0.00 H new ATOM 0 HH22 ARG A 36 12.791 13.273 -5.384 1.00 0.00 H new ATOM 492 N ARG A 37 7.409 8.419 -5.395 1.00 0.00 N ATOM 493 CA ARG A 37 6.743 7.434 -6.306 1.00 0.00 C ATOM 494 C ARG A 37 7.085 6.005 -5.851 1.00 0.00 C ATOM 495 O ARG A 37 7.183 5.091 -6.649 1.00 0.00 O ATOM 496 CB ARG A 37 7.319 7.724 -7.700 1.00 0.00 C ATOM 497 CG ARG A 37 8.814 7.384 -7.727 1.00 0.00 C ATOM 498 CD ARG A 37 9.598 8.517 -8.395 1.00 0.00 C ATOM 499 NE ARG A 37 9.594 9.632 -7.405 1.00 0.00 N ATOM 500 CZ ARG A 37 10.685 9.930 -6.750 1.00 0.00 C ATOM 501 NH1 ARG A 37 11.396 10.970 -7.104 1.00 0.00 N ATOM 502 NH2 ARG A 37 11.064 9.190 -5.740 1.00 0.00 N ATOM 0 H ARG A 37 8.409 8.541 -5.554 1.00 0.00 H new ATOM 0 HA ARG A 37 5.656 7.520 -6.302 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.790 7.137 -8.451 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.171 8.774 -7.953 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.178 7.229 -6.711 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.973 6.452 -8.269 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.615 8.205 -8.633 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.130 8.820 -9.332 1.00 0.00 H new ATOM 0 HE ARG A 37 8.739 10.163 -7.239 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.099 11.547 -7.891 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.248 11.203 -6.593 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.508 8.381 -5.464 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.915 9.422 -5.229 1.00 0.00 H new ATOM 516 N SER A 38 7.279 5.829 -4.563 1.00 0.00 N ATOM 517 CA SER A 38 7.633 4.494 -3.990 1.00 0.00 C ATOM 518 C SER A 38 6.769 3.368 -4.578 1.00 0.00 C ATOM 519 O SER A 38 5.556 3.459 -4.629 1.00 0.00 O ATOM 520 CB SER A 38 7.367 4.652 -2.492 1.00 0.00 C ATOM 521 OG SER A 38 8.440 5.377 -1.907 1.00 0.00 O ATOM 0 H SER A 38 7.204 6.575 -3.871 1.00 0.00 H new ATOM 0 HA SER A 38 8.662 4.216 -4.216 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.425 5.176 -2.330 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.272 3.674 -2.021 1.00 0.00 H new ATOM 0 HG SER A 38 8.090 6.176 -1.461 1.00 0.00 H new ATOM 527 N THR A 39 7.401 2.304 -5.014 1.00 0.00 N ATOM 528 CA THR A 39 6.650 1.149 -5.596 1.00 0.00 C ATOM 529 C THR A 39 7.015 -0.142 -4.850 1.00 0.00 C ATOM 530 O THR A 39 8.042 -0.225 -4.201 1.00 0.00 O ATOM 531 CB THR A 39 7.101 1.070 -7.061 1.00 0.00 C ATOM 532 OG1 THR A 39 6.717 2.260 -7.739 1.00 0.00 O ATOM 533 CG2 THR A 39 6.448 -0.138 -7.740 1.00 0.00 C ATOM 0 H THR A 39 8.414 2.187 -4.991 1.00 0.00 H new ATOM 0 HA THR A 39 5.570 1.275 -5.513 1.00 0.00 H new ATOM 0 HB THR A 39 8.185 0.961 -7.099 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.453 2.906 -7.708 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.771 -0.190 -8.780 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.744 -1.050 -7.222 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.364 -0.035 -7.702 1.00 0.00 H new ATOM 541 N ILE A 40 6.175 -1.144 -4.929 1.00 0.00 N ATOM 542 CA ILE A 40 6.466 -2.432 -4.215 1.00 0.00 C ATOM 543 C ILE A 40 7.476 -3.290 -5.001 1.00 0.00 C ATOM 544 O ILE A 40 7.792 -3.016 -6.143 1.00 0.00 O ATOM 545 CB ILE A 40 5.108 -3.144 -4.112 1.00 0.00 C ATOM 546 CG1 ILE A 40 4.166 -2.325 -3.223 1.00 0.00 C ATOM 547 CG2 ILE A 40 5.278 -4.536 -3.500 1.00 0.00 C ATOM 548 CD1 ILE A 40 3.405 -1.314 -4.075 1.00 0.00 C ATOM 0 H ILE A 40 5.301 -1.129 -5.455 1.00 0.00 H new ATOM 0 HA ILE A 40 6.915 -2.259 -3.237 1.00 0.00 H new ATOM 0 HB ILE A 40 4.691 -3.241 -5.114 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.465 -2.986 -2.713 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.736 -1.808 -2.451 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.306 -5.026 -3.435 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.943 -5.130 -4.127 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.706 -4.445 -2.502 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.736 -0.733 -3.440 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.113 -0.645 -4.564 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.822 -1.841 -4.830 1.00 0.00 H new ATOM 560 N VAL A 41 7.967 -4.334 -4.377 1.00 0.00 N ATOM 561 CA VAL A 41 8.952 -5.253 -5.037 1.00 0.00 C ATOM 562 C VAL A 41 8.632 -6.699 -4.663 1.00 0.00 C ATOM 563 O VAL A 41 7.737 -6.956 -3.880 1.00 0.00 O ATOM 564 CB VAL A 41 10.354 -4.869 -4.511 1.00 0.00 C ATOM 565 CG1 VAL A 41 11.102 -4.081 -5.588 1.00 0.00 C ATOM 566 CG2 VAL A 41 10.262 -4.017 -3.238 1.00 0.00 C ATOM 0 H VAL A 41 7.723 -4.593 -3.421 1.00 0.00 H new ATOM 0 HA VAL A 41 8.909 -5.162 -6.122 1.00 0.00 H new ATOM 0 HB VAL A 41 10.888 -5.788 -4.271 1.00 0.00 H new ATOM 0 HG11 VAL A 41 12.091 -3.809 -5.219 1.00 0.00 H new ATOM 0 HG12 VAL A 41 11.205 -4.695 -6.483 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.544 -3.177 -5.831 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.266 -3.765 -2.896 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.711 -3.101 -3.452 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.744 -4.579 -2.461 1.00 0.00 H new ATOM 576 N PRO A 42 9.382 -7.602 -5.238 1.00 0.00 N ATOM 577 CA PRO A 42 9.183 -9.046 -4.962 1.00 0.00 C ATOM 578 C PRO A 42 9.545 -9.372 -3.509 1.00 0.00 C ATOM 579 O PRO A 42 8.986 -10.268 -2.907 1.00 0.00 O ATOM 580 CB PRO A 42 10.133 -9.720 -5.940 1.00 0.00 C ATOM 581 CG PRO A 42 11.179 -8.699 -6.232 1.00 0.00 C ATOM 582 CD PRO A 42 10.482 -7.374 -6.189 1.00 0.00 C ATOM 0 HA PRO A 42 8.151 -9.375 -5.085 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.570 -10.620 -5.508 1.00 0.00 H new ATOM 0 HB3 PRO A 42 9.613 -10.023 -6.849 1.00 0.00 H new ATOM 0 HG2 PRO A 42 11.983 -8.742 -5.497 1.00 0.00 H new ATOM 0 HG3 PRO A 42 11.631 -8.871 -7.209 1.00 0.00 H new ATOM 0 HD2 PRO A 42 11.148 -6.580 -5.851 1.00 0.00 H new ATOM 0 HD3 PRO A 42 10.111 -7.082 -7.171 1.00 0.00 H new ATOM 590 N GLU A 43 10.466 -8.639 -2.940 1.00 0.00 N ATOM 591 CA GLU A 43 10.858 -8.883 -1.518 1.00 0.00 C ATOM 592 C GLU A 43 9.743 -8.435 -0.551 1.00 0.00 C ATOM 593 O GLU A 43 9.857 -8.606 0.647 1.00 0.00 O ATOM 594 CB GLU A 43 12.115 -8.034 -1.296 1.00 0.00 C ATOM 595 CG GLU A 43 13.359 -8.834 -1.691 1.00 0.00 C ATOM 596 CD GLU A 43 13.718 -9.818 -0.575 1.00 0.00 C ATOM 597 OE1 GLU A 43 13.221 -10.933 -0.610 1.00 0.00 O ATOM 598 OE2 GLU A 43 14.483 -9.442 0.297 1.00 0.00 O ATOM 0 H GLU A 43 10.966 -7.878 -3.400 1.00 0.00 H new ATOM 0 HA GLU A 43 11.032 -9.942 -1.329 1.00 0.00 H new ATOM 0 HB2 GLU A 43 12.057 -7.120 -1.887 1.00 0.00 H new ATOM 0 HB3 GLU A 43 12.182 -7.734 -0.250 1.00 0.00 H new ATOM 0 HG2 GLU A 43 13.176 -9.374 -2.620 1.00 0.00 H new ATOM 0 HG3 GLU A 43 14.194 -8.158 -1.875 1.00 0.00 H new ATOM 605 N MET A 44 8.674 -7.855 -1.054 1.00 0.00 N ATOM 606 CA MET A 44 7.571 -7.389 -0.153 1.00 0.00 C ATOM 607 C MET A 44 6.413 -8.399 -0.084 1.00 0.00 C ATOM 608 O MET A 44 5.385 -8.117 0.492 1.00 0.00 O ATOM 609 CB MET A 44 7.091 -6.082 -0.779 1.00 0.00 C ATOM 610 CG MET A 44 7.774 -4.920 -0.074 1.00 0.00 C ATOM 611 SD MET A 44 8.010 -3.550 -1.234 1.00 0.00 S ATOM 612 CE MET A 44 6.707 -2.467 -0.604 1.00 0.00 C ATOM 0 H MET A 44 8.520 -7.686 -2.048 1.00 0.00 H new ATOM 0 HA MET A 44 7.922 -7.271 0.872 1.00 0.00 H new ATOM 0 HB2 MET A 44 7.323 -6.066 -1.844 1.00 0.00 H new ATOM 0 HB3 MET A 44 6.008 -5.995 -0.687 1.00 0.00 H new ATOM 0 HG2 MET A 44 7.171 -4.592 0.773 1.00 0.00 H new ATOM 0 HG3 MET A 44 8.736 -5.240 0.325 1.00 0.00 H new ATOM 0 HE1 MET A 44 5.895 -2.415 -1.329 1.00 0.00 H new ATOM 0 HE2 MET A 44 6.328 -2.863 0.338 1.00 0.00 H new ATOM 0 HE3 MET A 44 7.111 -1.468 -0.441 1.00 0.00 H new ATOM 622 N VAL A 45 6.570 -9.563 -0.667 1.00 0.00 N ATOM 623 CA VAL A 45 5.473 -10.600 -0.659 1.00 0.00 C ATOM 624 C VAL A 45 5.014 -11.003 0.765 1.00 0.00 C ATOM 625 O VAL A 45 4.102 -11.797 0.914 1.00 0.00 O ATOM 626 CB VAL A 45 6.084 -11.803 -1.391 1.00 0.00 C ATOM 627 CG1 VAL A 45 5.116 -12.989 -1.359 1.00 0.00 C ATOM 628 CG2 VAL A 45 6.369 -11.419 -2.845 1.00 0.00 C ATOM 0 H VAL A 45 7.419 -9.848 -1.155 1.00 0.00 H new ATOM 0 HA VAL A 45 4.572 -10.212 -1.134 1.00 0.00 H new ATOM 0 HB VAL A 45 7.011 -12.089 -0.894 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.561 -13.836 -1.881 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.914 -13.266 -0.324 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.183 -12.710 -1.848 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.803 -12.271 -3.368 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.439 -11.129 -3.334 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.068 -10.583 -2.870 1.00 0.00 H new ATOM 638 N GLY A 46 5.598 -10.461 1.800 1.00 0.00 N ATOM 639 CA GLY A 46 5.158 -10.815 3.182 1.00 0.00 C ATOM 640 C GLY A 46 5.395 -9.620 4.107 1.00 0.00 C ATOM 641 O GLY A 46 5.749 -9.784 5.259 1.00 0.00 O ATOM 0 H GLY A 46 6.362 -9.787 1.749 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.102 -11.086 3.182 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.710 -11.683 3.541 1.00 0.00 H new ATOM 645 N HIS A 47 5.218 -8.413 3.608 1.00 0.00 N ATOM 646 CA HIS A 47 5.455 -7.209 4.462 1.00 0.00 C ATOM 647 C HIS A 47 4.432 -6.111 4.163 1.00 0.00 C ATOM 648 O HIS A 47 4.018 -5.920 3.035 1.00 0.00 O ATOM 649 CB HIS A 47 6.866 -6.710 4.104 1.00 0.00 C ATOM 650 CG HIS A 47 7.841 -7.857 4.074 1.00 0.00 C ATOM 651 ND1 HIS A 47 8.178 -8.741 3.081 1.00 0.00 N flip ATOM 652 CD2 HIS A 47 8.611 -8.209 5.171 1.00 0.00 C flip ATOM 653 CE1 HIS A 47 9.141 -9.629 3.549 1.00 0.00 C flip ATOM 654 NE2 HIS A 47 9.366 -9.264 4.812 1.00 0.00 N flip ATOM 0 H HIS A 47 4.922 -8.216 2.652 1.00 0.00 H new ATOM 0 HA HIS A 47 5.360 -7.459 5.519 1.00 0.00 H new ATOM 0 HB2 HIS A 47 6.847 -6.216 3.133 1.00 0.00 H new ATOM 0 HB3 HIS A 47 7.191 -5.968 4.833 1.00 0.00 H new ATOM 0 HD2 HIS A 47 8.606 -7.726 6.137 1.00 0.00 H new ATOM 0 HE1 HIS A 47 9.606 -10.439 3.007 1.00 0.00 H new ATOM 0 HE2 HIS A 47 10.030 -9.728 5.431 1.00 0.00 H new ATOM 662 N THR A 48 4.063 -5.364 5.171 1.00 0.00 N ATOM 663 CA THR A 48 3.106 -4.237 4.990 1.00 0.00 C ATOM 664 C THR A 48 3.946 -2.964 4.919 1.00 0.00 C ATOM 665 O THR A 48 4.177 -2.297 5.909 1.00 0.00 O ATOM 666 CB THR A 48 2.204 -4.234 6.240 1.00 0.00 C ATOM 667 OG1 THR A 48 2.278 -5.490 6.907 1.00 0.00 O ATOM 668 CG2 THR A 48 0.756 -3.964 5.835 1.00 0.00 C ATOM 0 H THR A 48 4.392 -5.492 6.128 1.00 0.00 H new ATOM 0 HA THR A 48 2.491 -4.317 4.093 1.00 0.00 H new ATOM 0 HB THR A 48 2.549 -3.450 6.914 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.086 -6.210 6.271 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.124 -3.963 6.723 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.691 -2.994 5.342 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.419 -4.742 5.150 1.00 0.00 H new ATOM 676 N ILE A 49 4.453 -2.651 3.765 1.00 0.00 N ATOM 677 CA ILE A 49 5.330 -1.452 3.651 1.00 0.00 C ATOM 678 C ILE A 49 4.506 -0.198 3.402 1.00 0.00 C ATOM 679 O ILE A 49 3.795 -0.100 2.420 1.00 0.00 O ATOM 680 CB ILE A 49 6.265 -1.746 2.479 1.00 0.00 C ATOM 681 CG1 ILE A 49 7.070 -3.019 2.801 1.00 0.00 C ATOM 682 CG2 ILE A 49 7.210 -0.555 2.263 1.00 0.00 C ATOM 683 CD1 ILE A 49 8.456 -2.960 2.159 1.00 0.00 C ATOM 0 H ILE A 49 4.302 -3.168 2.899 1.00 0.00 H new ATOM 0 HA ILE A 49 5.887 -1.266 4.569 1.00 0.00 H new ATOM 0 HB ILE A 49 5.690 -1.901 1.566 1.00 0.00 H new ATOM 0 HG12 ILE A 49 7.169 -3.129 3.881 1.00 0.00 H new ATOM 0 HG13 ILE A 49 6.533 -3.896 2.439 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.876 -0.766 1.427 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.625 0.338 2.044 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.800 -0.391 3.165 1.00 0.00 H new ATOM 0 HD11 ILE A 49 9.007 -3.869 2.399 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.353 -2.874 1.077 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.998 -2.095 2.542 1.00 0.00 H new ATOM 695 N ALA A 50 4.606 0.767 4.282 1.00 0.00 N ATOM 696 CA ALA A 50 3.840 2.024 4.091 1.00 0.00 C ATOM 697 C ALA A 50 4.513 2.860 3.010 1.00 0.00 C ATOM 698 O ALA A 50 5.239 3.800 3.280 1.00 0.00 O ATOM 699 CB ALA A 50 3.843 2.728 5.442 1.00 0.00 C ATOM 0 H ALA A 50 5.185 0.733 5.121 1.00 0.00 H new ATOM 0 HA ALA A 50 2.815 1.849 3.764 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.291 3.665 5.365 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.370 2.088 6.187 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.870 2.935 5.742 1.00 0.00 H new ATOM 705 N VAL A 51 4.277 2.490 1.780 1.00 0.00 N ATOM 706 CA VAL A 51 4.891 3.215 0.628 1.00 0.00 C ATOM 707 C VAL A 51 4.464 4.682 0.629 1.00 0.00 C ATOM 708 O VAL A 51 3.293 5.001 0.733 1.00 0.00 O ATOM 709 CB VAL A 51 4.367 2.511 -0.633 1.00 0.00 C ATOM 710 CG1 VAL A 51 4.769 1.032 -0.614 1.00 0.00 C ATOM 711 CG2 VAL A 51 2.837 2.628 -0.696 1.00 0.00 C ATOM 0 H VAL A 51 3.678 1.707 1.521 1.00 0.00 H new ATOM 0 HA VAL A 51 5.980 3.198 0.679 1.00 0.00 H new ATOM 0 HB VAL A 51 4.802 2.988 -1.511 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.393 0.541 -1.512 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.856 0.951 -0.584 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.345 0.551 0.267 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.470 2.127 -1.592 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.400 2.160 0.186 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.553 3.680 -0.727 1.00 0.00 H new ATOM 721 N TYR A 52 5.403 5.577 0.496 1.00 0.00 N ATOM 722 CA TYR A 52 5.051 7.020 0.465 1.00 0.00 C ATOM 723 C TYR A 52 4.507 7.360 -0.923 1.00 0.00 C ATOM 724 O TYR A 52 5.253 7.455 -1.882 1.00 0.00 O ATOM 725 CB TYR A 52 6.360 7.769 0.747 1.00 0.00 C ATOM 726 CG TYR A 52 6.064 9.216 1.064 1.00 0.00 C ATOM 727 CD1 TYR A 52 5.273 9.545 2.170 1.00 0.00 C ATOM 728 CD2 TYR A 52 6.591 10.229 0.257 1.00 0.00 C ATOM 729 CE1 TYR A 52 5.010 10.885 2.470 1.00 0.00 C ATOM 730 CE2 TYR A 52 6.328 11.570 0.555 1.00 0.00 C ATOM 731 CZ TYR A 52 5.537 11.900 1.662 1.00 0.00 C ATOM 732 OH TYR A 52 5.279 13.222 1.957 1.00 0.00 O ATOM 0 H TYR A 52 6.398 5.370 0.408 1.00 0.00 H new ATOM 0 HA TYR A 52 4.288 7.291 1.195 1.00 0.00 H new ATOM 0 HB2 TYR A 52 6.883 7.304 1.583 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.020 7.704 -0.118 1.00 0.00 H new ATOM 0 HD1 TYR A 52 4.865 8.763 2.793 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.202 9.976 -0.597 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.400 11.137 3.325 1.00 0.00 H new ATOM 0 HE2 TYR A 52 6.735 12.351 -0.069 1.00 0.00 H new ATOM 0 HH TYR A 52 5.117 13.717 1.127 1.00 0.00 H new ATOM 742 N ASN A 53 3.211 7.536 -1.046 1.00 0.00 N ATOM 743 CA ASN A 53 2.624 7.861 -2.385 1.00 0.00 C ATOM 744 C ASN A 53 2.904 9.324 -2.771 1.00 0.00 C ATOM 745 O ASN A 53 2.383 9.824 -3.751 1.00 0.00 O ATOM 746 CB ASN A 53 1.116 7.594 -2.247 1.00 0.00 C ATOM 747 CG ASN A 53 0.427 8.763 -1.536 1.00 0.00 C ATOM 748 OD1 ASN A 53 0.565 8.930 -0.342 1.00 0.00 O ATOM 749 ND2 ASN A 53 -0.319 9.583 -2.226 1.00 0.00 N ATOM 0 H ASN A 53 2.539 7.469 -0.282 1.00 0.00 H new ATOM 0 HA ASN A 53 3.064 7.255 -3.177 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.675 7.449 -3.233 1.00 0.00 H new ATOM 0 HB3 ASN A 53 0.953 6.673 -1.687 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -0.785 10.362 -1.761 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -0.436 9.444 -3.230 1.00 0.00 H new ATOM 756 N GLY A 54 3.715 10.012 -2.003 1.00 0.00 N ATOM 757 CA GLY A 54 4.027 11.437 -2.305 1.00 0.00 C ATOM 758 C GLY A 54 3.638 12.284 -1.096 1.00 0.00 C ATOM 759 O GLY A 54 4.198 13.337 -0.854 1.00 0.00 O ATOM 0 H GLY A 54 4.176 9.640 -1.173 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.088 11.554 -2.524 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.481 11.765 -3.189 1.00 0.00 H new ATOM 763 N LYS A 55 2.676 11.822 -0.335 1.00 0.00 N ATOM 764 CA LYS A 55 2.227 12.582 0.872 1.00 0.00 C ATOM 765 C LYS A 55 1.922 11.641 2.049 1.00 0.00 C ATOM 766 O LYS A 55 1.947 12.054 3.193 1.00 0.00 O ATOM 767 CB LYS A 55 0.945 13.315 0.454 1.00 0.00 C ATOM 768 CG LYS A 55 0.143 12.481 -0.556 1.00 0.00 C ATOM 769 CD LYS A 55 -1.351 12.775 -0.395 1.00 0.00 C ATOM 770 CE LYS A 55 -1.972 11.758 0.567 1.00 0.00 C ATOM 771 NZ LYS A 55 -3.444 11.975 0.467 1.00 0.00 N ATOM 0 H LYS A 55 2.180 10.946 -0.500 1.00 0.00 H new ATOM 0 HA LYS A 55 3.007 13.266 1.206 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.333 13.516 1.333 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.199 14.280 0.015 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.463 12.716 -1.571 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.334 11.419 -0.399 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.494 13.786 -0.014 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.848 12.726 -1.364 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.704 10.739 0.289 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.619 11.914 1.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.936 11.312 1.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.671 12.951 0.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.753 11.813 -0.513 1.00 0.00 H new ATOM 785 N GLN A 56 1.593 10.398 1.783 1.00 0.00 N ATOM 786 CA GLN A 56 1.239 9.465 2.895 1.00 0.00 C ATOM 787 C GLN A 56 1.956 8.116 2.771 1.00 0.00 C ATOM 788 O GLN A 56 2.304 7.673 1.693 1.00 0.00 O ATOM 789 CB GLN A 56 -0.286 9.325 2.760 1.00 0.00 C ATOM 790 CG GLN A 56 -0.698 7.903 2.362 1.00 0.00 C ATOM 791 CD GLN A 56 -1.488 7.256 3.504 1.00 0.00 C ATOM 792 OE1 GLN A 56 -0.871 6.923 4.606 1.00 0.00 O flip ATOM 793 NE2 GLN A 56 -2.681 7.052 3.392 1.00 0.00 N flip ATOM 0 H GLN A 56 1.555 9.993 0.848 1.00 0.00 H new ATOM 0 HA GLN A 56 1.547 9.836 3.873 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.760 9.589 3.706 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.650 10.031 2.013 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.305 7.930 1.457 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.187 7.308 2.136 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -3.164 7.312 2.532 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -3.199 6.621 4.158 1.00 0.00 H new ATOM 802 N HIS A 57 2.137 7.455 3.886 1.00 0.00 N ATOM 803 CA HIS A 57 2.787 6.113 3.894 1.00 0.00 C ATOM 804 C HIS A 57 1.690 5.043 3.977 1.00 0.00 C ATOM 805 O HIS A 57 1.138 4.801 5.032 1.00 0.00 O ATOM 806 CB HIS A 57 3.665 6.060 5.162 1.00 0.00 C ATOM 807 CG HIS A 57 4.121 7.437 5.577 1.00 0.00 C ATOM 808 ND1 HIS A 57 5.098 8.269 5.092 1.00 0.00 N flip ATOM 809 CD2 HIS A 57 3.534 8.119 6.632 1.00 0.00 C flip ATOM 810 CE1 HIS A 57 5.118 9.449 5.829 1.00 0.00 C flip ATOM 811 NE2 HIS A 57 4.157 9.307 6.743 1.00 0.00 N flip ATOM 0 H HIS A 57 1.856 7.796 4.805 1.00 0.00 H new ATOM 0 HA HIS A 57 3.385 5.940 2.999 1.00 0.00 H new ATOM 0 HB2 HIS A 57 3.103 5.601 5.976 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.534 5.428 4.978 1.00 0.00 H new ATOM 0 HD1 HIS A 57 5.716 8.055 4.309 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.725 7.762 7.252 1.00 0.00 H new ATOM 0 HE1 HIS A 57 5.771 10.298 5.691 1.00 0.00 H new ATOM 819 N VAL A 58 1.355 4.415 2.876 1.00 0.00 N ATOM 820 CA VAL A 58 0.277 3.373 2.903 1.00 0.00 C ATOM 821 C VAL A 58 0.887 1.990 3.172 1.00 0.00 C ATOM 822 O VAL A 58 1.482 1.407 2.285 1.00 0.00 O ATOM 823 CB VAL A 58 -0.365 3.420 1.509 1.00 0.00 C ATOM 824 CG1 VAL A 58 -1.536 2.435 1.449 1.00 0.00 C ATOM 825 CG2 VAL A 58 -0.882 4.833 1.221 1.00 0.00 C ATOM 0 H VAL A 58 1.779 4.577 1.962 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.455 3.557 3.690 1.00 0.00 H new ATOM 0 HB VAL A 58 0.383 3.148 0.764 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.990 2.470 0.459 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.173 1.426 1.647 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.279 2.707 2.199 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.336 4.859 0.231 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.626 5.108 1.969 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.052 5.539 1.258 1.00 0.00 H new ATOM 835 N PRO A 59 0.727 1.508 4.394 1.00 0.00 N ATOM 836 CA PRO A 59 1.283 0.178 4.782 1.00 0.00 C ATOM 837 C PRO A 59 0.568 -0.917 4.003 1.00 0.00 C ATOM 838 O PRO A 59 -0.425 -1.473 4.432 1.00 0.00 O ATOM 839 CB PRO A 59 0.999 0.090 6.282 1.00 0.00 C ATOM 840 CG PRO A 59 -0.154 1.013 6.501 1.00 0.00 C ATOM 841 CD PRO A 59 0.012 2.135 5.511 1.00 0.00 C ATOM 0 HA PRO A 59 2.345 0.060 4.566 1.00 0.00 H new ATOM 0 HB2 PRO A 59 0.753 -0.929 6.580 1.00 0.00 H new ATOM 0 HB3 PRO A 59 1.866 0.393 6.868 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -1.101 0.496 6.348 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.160 1.393 7.523 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.951 2.537 5.195 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.579 2.963 5.935 1.00 0.00 H new ATOM 849 N VAL A 60 1.071 -1.199 2.840 1.00 0.00 N ATOM 850 CA VAL A 60 0.440 -2.237 1.974 1.00 0.00 C ATOM 851 C VAL A 60 1.070 -3.610 2.198 1.00 0.00 C ATOM 852 O VAL A 60 2.210 -3.843 1.841 1.00 0.00 O ATOM 853 CB VAL A 60 0.676 -1.790 0.520 1.00 0.00 C ATOM 854 CG1 VAL A 60 -0.179 -0.560 0.207 1.00 0.00 C ATOM 855 CG2 VAL A 60 2.157 -1.454 0.287 1.00 0.00 C ATOM 0 H VAL A 60 1.899 -0.754 2.445 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.621 -2.330 2.207 1.00 0.00 H new ATOM 0 HB VAL A 60 0.394 -2.611 -0.140 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.007 -0.250 -0.824 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.233 -0.806 0.340 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.092 0.253 0.881 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.301 -1.141 -0.747 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.457 -0.647 0.956 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.766 -2.336 0.487 1.00 0.00 H new ATOM 865 N TYR A 61 0.333 -4.540 2.751 1.00 0.00 N ATOM 866 CA TYR A 61 0.908 -5.897 2.927 1.00 0.00 C ATOM 867 C TYR A 61 0.919 -6.567 1.558 1.00 0.00 C ATOM 868 O TYR A 61 -0.096 -7.035 1.072 1.00 0.00 O ATOM 869 CB TYR A 61 0.000 -6.656 3.895 1.00 0.00 C ATOM 870 CG TYR A 61 0.752 -7.870 4.389 1.00 0.00 C ATOM 871 CD1 TYR A 61 1.182 -8.845 3.477 1.00 0.00 C ATOM 872 CD2 TYR A 61 1.036 -8.012 5.749 1.00 0.00 C ATOM 873 CE1 TYR A 61 1.891 -9.958 3.925 1.00 0.00 C ATOM 874 CE2 TYR A 61 1.749 -9.127 6.201 1.00 0.00 C ATOM 875 CZ TYR A 61 2.177 -10.103 5.289 1.00 0.00 C ATOM 876 OH TYR A 61 2.883 -11.202 5.735 1.00 0.00 O ATOM 0 H TYR A 61 -0.624 -4.418 3.081 1.00 0.00 H new ATOM 0 HA TYR A 61 1.922 -5.874 3.326 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.283 -6.017 4.732 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -0.922 -6.956 3.397 1.00 0.00 H new ATOM 0 HD1 TYR A 61 0.963 -8.733 2.425 1.00 0.00 H new ATOM 0 HD2 TYR A 61 0.705 -7.261 6.451 1.00 0.00 H new ATOM 0 HE1 TYR A 61 2.220 -10.708 3.221 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.970 -9.237 7.252 1.00 0.00 H new ATOM 0 HH TYR A 61 2.995 -11.146 6.707 1.00 0.00 H new ATOM 886 N ILE A 62 2.049 -6.581 0.917 1.00 0.00 N ATOM 887 CA ILE A 62 2.128 -7.179 -0.441 1.00 0.00 C ATOM 888 C ILE A 62 2.261 -8.696 -0.367 1.00 0.00 C ATOM 889 O ILE A 62 3.047 -9.223 0.389 1.00 0.00 O ATOM 890 CB ILE A 62 3.386 -6.565 -1.061 1.00 0.00 C ATOM 891 CG1 ILE A 62 3.254 -5.038 -1.070 1.00 0.00 C ATOM 892 CG2 ILE A 62 3.578 -7.089 -2.490 1.00 0.00 C ATOM 893 CD1 ILE A 62 4.273 -4.433 -0.100 1.00 0.00 C ATOM 0 H ILE A 62 2.926 -6.203 1.276 1.00 0.00 H new ATOM 0 HA ILE A 62 1.230 -6.978 -1.026 1.00 0.00 H new ATOM 0 HB ILE A 62 4.257 -6.847 -0.469 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.421 -4.654 -2.076 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.244 -4.748 -0.781 1.00 0.00 H new ATOM 0 HG21 ILE A 62 4.475 -6.646 -2.922 1.00 0.00 H new ATOM 0 HG22 ILE A 62 3.682 -8.174 -2.469 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.713 -6.820 -3.096 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.180 -3.347 -0.105 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.085 -4.808 0.906 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.280 -4.713 -0.409 1.00 0.00 H new ATOM 905 N THR A 63 1.517 -9.391 -1.179 1.00 0.00 N ATOM 906 CA THR A 63 1.618 -10.875 -1.217 1.00 0.00 C ATOM 907 C THR A 63 2.467 -11.240 -2.439 1.00 0.00 C ATOM 908 O THR A 63 3.254 -10.435 -2.907 1.00 0.00 O ATOM 909 CB THR A 63 0.179 -11.394 -1.360 1.00 0.00 C ATOM 910 OG1 THR A 63 -0.355 -10.988 -2.614 1.00 0.00 O ATOM 911 CG2 THR A 63 -0.691 -10.839 -0.229 1.00 0.00 C ATOM 0 H THR A 63 0.836 -8.990 -1.824 1.00 0.00 H new ATOM 0 HA THR A 63 2.080 -11.307 -0.329 1.00 0.00 H new ATOM 0 HB THR A 63 0.187 -12.483 -1.305 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.272 -11.322 -2.703 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.710 -11.211 -0.337 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.288 -11.160 0.731 1.00 0.00 H new ATOM 0 HG23 THR A 63 -0.696 -9.750 -0.275 1.00 0.00 H new ATOM 919 N GLU A 64 2.321 -12.416 -2.979 1.00 0.00 N ATOM 920 CA GLU A 64 3.134 -12.770 -4.181 1.00 0.00 C ATOM 921 C GLU A 64 2.396 -12.363 -5.476 1.00 0.00 C ATOM 922 O GLU A 64 2.797 -12.738 -6.562 1.00 0.00 O ATOM 923 CB GLU A 64 3.312 -14.290 -4.110 1.00 0.00 C ATOM 924 CG GLU A 64 4.456 -14.724 -5.034 1.00 0.00 C ATOM 925 CD GLU A 64 5.695 -15.064 -4.200 1.00 0.00 C ATOM 926 OE1 GLU A 64 5.680 -16.090 -3.540 1.00 0.00 O ATOM 927 OE2 GLU A 64 6.639 -14.292 -4.238 1.00 0.00 O ATOM 0 H GLU A 64 1.684 -13.141 -2.648 1.00 0.00 H new ATOM 0 HA GLU A 64 4.092 -12.250 -4.195 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.526 -14.593 -3.085 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.387 -14.787 -4.403 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.153 -15.591 -5.621 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.689 -13.926 -5.739 1.00 0.00 H new ATOM 934 N ASN A 65 1.324 -11.599 -5.375 1.00 0.00 N ATOM 935 CA ASN A 65 0.579 -11.181 -6.606 1.00 0.00 C ATOM 936 C ASN A 65 -0.034 -9.774 -6.445 1.00 0.00 C ATOM 937 O ASN A 65 -0.994 -9.433 -7.111 1.00 0.00 O ATOM 938 CB ASN A 65 -0.524 -12.231 -6.771 1.00 0.00 C ATOM 939 CG ASN A 65 -0.698 -12.566 -8.255 1.00 0.00 C ATOM 940 OD1 ASN A 65 -0.611 -13.713 -8.645 1.00 0.00 O ATOM 941 ND2 ASN A 65 -0.943 -11.604 -9.106 1.00 0.00 N ATOM 0 H ASN A 65 0.939 -11.251 -4.497 1.00 0.00 H new ATOM 0 HA ASN A 65 1.237 -11.125 -7.474 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.269 -13.131 -6.212 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.461 -11.856 -6.360 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.061 -11.817 -10.097 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.016 -10.641 -8.779 1.00 0.00 H new ATOM 948 N MET A 66 0.514 -8.955 -5.580 1.00 0.00 N ATOM 949 CA MET A 66 -0.030 -7.574 -5.386 1.00 0.00 C ATOM 950 C MET A 66 1.001 -6.525 -5.850 1.00 0.00 C ATOM 951 O MET A 66 0.644 -5.439 -6.263 1.00 0.00 O ATOM 952 CB MET A 66 -0.299 -7.466 -3.885 1.00 0.00 C ATOM 953 CG MET A 66 -1.413 -8.437 -3.485 1.00 0.00 C ATOM 954 SD MET A 66 -3.000 -7.565 -3.473 1.00 0.00 S ATOM 955 CE MET A 66 -3.431 -7.844 -5.209 1.00 0.00 C ATOM 0 H MET A 66 1.319 -9.185 -4.997 1.00 0.00 H new ATOM 0 HA MET A 66 -0.934 -7.393 -5.968 1.00 0.00 H new ATOM 0 HB2 MET A 66 0.610 -7.691 -3.327 1.00 0.00 H new ATOM 0 HB3 MET A 66 -0.585 -6.446 -3.630 1.00 0.00 H new ATOM 0 HG2 MET A 66 -1.450 -9.272 -4.184 1.00 0.00 H new ATOM 0 HG3 MET A 66 -1.209 -8.855 -2.499 1.00 0.00 H new ATOM 0 HE1 MET A 66 -4.499 -8.045 -5.291 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.183 -6.957 -5.792 1.00 0.00 H new ATOM 0 HE3 MET A 66 -2.871 -8.698 -5.590 1.00 0.00 H new ATOM 965 N VAL A 67 2.271 -6.853 -5.786 1.00 0.00 N ATOM 966 CA VAL A 67 3.349 -5.894 -6.219 1.00 0.00 C ATOM 967 C VAL A 67 3.246 -5.556 -7.716 1.00 0.00 C ATOM 968 O VAL A 67 2.590 -6.244 -8.478 1.00 0.00 O ATOM 969 CB VAL A 67 4.668 -6.632 -5.948 1.00 0.00 C ATOM 970 CG1 VAL A 67 4.685 -7.966 -6.705 1.00 0.00 C ATOM 971 CG2 VAL A 67 5.841 -5.774 -6.427 1.00 0.00 C ATOM 0 H VAL A 67 2.614 -7.753 -5.449 1.00 0.00 H new ATOM 0 HA VAL A 67 3.269 -4.949 -5.682 1.00 0.00 H new ATOM 0 HB VAL A 67 4.757 -6.819 -4.878 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.624 -8.484 -6.508 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.852 -8.585 -6.371 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.591 -7.779 -7.775 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.777 -6.298 -6.235 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.743 -5.588 -7.496 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.840 -4.825 -5.892 1.00 0.00 H new ATOM 981 N GLY A 68 3.926 -4.512 -8.139 1.00 0.00 N ATOM 982 CA GLY A 68 3.914 -4.135 -9.582 1.00 0.00 C ATOM 983 C GLY A 68 3.434 -2.692 -9.779 1.00 0.00 C ATOM 984 O GLY A 68 3.585 -2.139 -10.852 1.00 0.00 O ATOM 0 H GLY A 68 4.488 -3.907 -7.541 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.916 -4.247 -9.997 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.263 -4.815 -10.132 1.00 0.00 H new ATOM 988 N HIS A 69 2.836 -2.077 -8.783 1.00 0.00 N ATOM 989 CA HIS A 69 2.337 -0.688 -8.974 1.00 0.00 C ATOM 990 C HIS A 69 2.967 0.273 -7.957 1.00 0.00 C ATOM 991 O HIS A 69 3.946 0.931 -8.245 1.00 0.00 O ATOM 992 CB HIS A 69 0.820 -0.796 -8.772 1.00 0.00 C ATOM 993 CG HIS A 69 0.233 -1.666 -9.857 1.00 0.00 C ATOM 994 ND1 HIS A 69 0.512 -2.954 -10.259 1.00 0.00 N flip ATOM 995 CD2 HIS A 69 -0.784 -1.223 -10.690 1.00 0.00 C flip ATOM 996 CE1 HIS A 69 -0.316 -3.301 -11.322 1.00 0.00 C flip ATOM 997 NE2 HIS A 69 -1.076 -2.225 -11.541 1.00 0.00 N flip ATOM 0 H HIS A 69 2.676 -2.477 -7.858 1.00 0.00 H new ATOM 0 HA HIS A 69 2.595 -0.287 -9.954 1.00 0.00 H new ATOM 0 HB2 HIS A 69 0.601 -1.220 -7.792 1.00 0.00 H new ATOM 0 HB3 HIS A 69 0.366 0.195 -8.799 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -1.256 -0.252 -10.661 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -0.339 -4.240 -11.856 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -1.792 -2.169 -12.266 1.00 0.00 H new ATOM 1005 N LYS A 70 2.398 0.363 -6.782 1.00 0.00 N ATOM 1006 CA LYS A 70 2.935 1.285 -5.724 1.00 0.00 C ATOM 1007 C LYS A 70 2.065 1.218 -4.465 1.00 0.00 C ATOM 1008 O LYS A 70 2.533 1.395 -3.358 1.00 0.00 O ATOM 1009 CB LYS A 70 2.899 2.702 -6.317 1.00 0.00 C ATOM 1010 CG LYS A 70 1.568 2.934 -7.031 1.00 0.00 C ATOM 1011 CD LYS A 70 0.551 3.534 -6.055 1.00 0.00 C ATOM 1012 CE LYS A 70 0.174 4.951 -6.505 1.00 0.00 C ATOM 1013 NZ LYS A 70 1.251 5.835 -5.971 1.00 0.00 N ATOM 0 H LYS A 70 1.573 -0.168 -6.503 1.00 0.00 H new ATOM 0 HA LYS A 70 3.948 1.002 -5.438 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.031 3.440 -5.526 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.725 2.834 -7.016 1.00 0.00 H new ATOM 0 HG2 LYS A 70 1.712 3.605 -7.878 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.190 1.993 -7.430 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.340 2.907 -6.012 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.970 3.561 -5.049 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.115 5.016 -7.591 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.802 5.241 -6.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.823 6.647 -5.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.840 5.299 -5.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.842 6.176 -6.756 1.00 0.00 H new ATOM 1027 N LEU A 71 0.801 0.958 -4.660 1.00 0.00 N ATOM 1028 CA LEU A 71 -0.189 0.861 -3.533 1.00 0.00 C ATOM 1029 C LEU A 71 -1.627 0.681 -4.081 1.00 0.00 C ATOM 1030 O LEU A 71 -2.522 0.299 -3.353 1.00 0.00 O ATOM 1031 CB LEU A 71 -0.066 2.180 -2.735 1.00 0.00 C ATOM 1032 CG LEU A 71 -1.062 3.232 -3.246 1.00 0.00 C ATOM 1033 CD1 LEU A 71 -2.354 3.163 -2.425 1.00 0.00 C ATOM 1034 CD2 LEU A 71 -0.446 4.626 -3.100 1.00 0.00 C ATOM 0 H LEU A 71 0.395 0.803 -5.583 1.00 0.00 H new ATOM 0 HA LEU A 71 0.016 -0.002 -2.900 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.247 1.987 -1.678 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.950 2.566 -2.819 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.288 3.036 -4.294 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.058 3.911 -2.791 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.795 2.171 -2.523 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.130 3.358 -1.376 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.151 5.375 -3.462 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.221 4.816 -2.051 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.473 4.681 -3.684 1.00 0.00 H new ATOM 1046 N GLY A 72 -1.856 0.954 -5.356 1.00 0.00 N ATOM 1047 CA GLY A 72 -3.227 0.804 -5.937 1.00 0.00 C ATOM 1048 C GLY A 72 -3.600 -0.678 -6.070 1.00 0.00 C ATOM 1049 O GLY A 72 -4.759 -1.014 -6.215 1.00 0.00 O ATOM 0 H GLY A 72 -1.145 1.274 -6.013 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.954 1.312 -5.303 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.267 1.284 -6.915 1.00 0.00 H new ATOM 1053 N GLU A 73 -2.638 -1.566 -6.000 1.00 0.00 N ATOM 1054 CA GLU A 73 -2.956 -3.026 -6.099 1.00 0.00 C ATOM 1055 C GLU A 73 -3.321 -3.561 -4.719 1.00 0.00 C ATOM 1056 O GLU A 73 -3.896 -4.624 -4.582 1.00 0.00 O ATOM 1057 CB GLU A 73 -1.670 -3.690 -6.584 1.00 0.00 C ATOM 1058 CG GLU A 73 -1.566 -3.562 -8.099 1.00 0.00 C ATOM 1059 CD GLU A 73 -1.744 -4.938 -8.746 1.00 0.00 C ATOM 1060 OE1 GLU A 73 -0.753 -5.633 -8.898 1.00 0.00 O ATOM 1061 OE2 GLU A 73 -2.870 -5.273 -9.079 1.00 0.00 O ATOM 0 H GLU A 73 -1.650 -1.345 -5.879 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.793 -3.220 -6.770 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.807 -3.223 -6.110 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.661 -4.741 -6.297 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.327 -2.874 -8.469 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.598 -3.143 -8.373 1.00 0.00 H new