USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 847 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 22 ASN : amide:sc= 0.727 K(o=0.97,f=-0.48) USER MOD Set 1.2: A 109 SER OG : rot 7:sc= 0.244! USER MOD Set 2.1: A 12 HIS : no HE2:sc= -2.57 K(o=-6.2,f=-17!) USER MOD Set 2.2: A 68 CYS SG : rot -166:sc= 0.0961 USER MOD Set 2.3: A 70 SER OG : rot 180:sc= 0 USER MOD Set 2.4: A 107 THR OG1 : rot -133:sc= 0.588 USER MOD Set 2.5: A 112 HIS :FLIP no HD1:sc= -4.36! C(o=-7.2!,f=-6.2!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 131:sc= 0.635 (180deg=-1.4!) USER MOD Single : A 18 SER OG : rot -81:sc= 1.04 USER MOD Single : A 20 SER OG : rot -75:sc= 1.73 USER MOD Single : A 25 SER OG : rot 180:sc= 0.183 USER MOD Single : A 28 THR OG1 : rot -171:sc= 0.219 USER MOD Single : A 31 SER OG : rot -92:sc= 1.3 USER MOD Single : A 32 THR OG1 : rot -153:sc= -0.566! USER MOD Single : A 36 THR OG1 : rot -86:sc= 1.61 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.0361 X(o=-0.036,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot -15:sc= 0.0468 USER MOD Single : A 49 GLN : amide:sc= 0.461 X(o=0.46,f=0) USER MOD Single : A 53 SER OG : rot -4:sc= -1.72 USER MOD Single : A 57 SER OG : rot -73:sc= 0.623 USER MOD Single : A 63 SER OG : rot -56:sc= 0.375 USER MOD Single : A 64 GLN : amide:sc= 1.22 K(o=1.2,f=-0.032) USER MOD Single : A 66 SER OG : rot -34:sc= 1.26 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -66:sc= 0.572 USER MOD Single : A 82 SER OG : rot 180:sc= 0.00376 USER MOD Single : A 85 MET CE :methyl -121:sc= -1.38 (180deg=-2.59!) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 130:sc= 0.831 USER MOD Single : A 106 GLN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N LYS A 7 -19.051 -4.525 -2.814 1.00 0.57 N ATOM 47 CA LYS A 7 -18.111 -3.846 -3.688 1.00 0.51 C ATOM 48 C LYS A 7 -17.411 -2.713 -2.960 1.00 0.42 C ATOM 49 O LYS A 7 -18.038 -1.924 -2.249 1.00 0.60 O ATOM 50 CB LYS A 7 -18.812 -3.325 -4.941 1.00 0.64 C ATOM 51 CG LYS A 7 -19.305 -4.436 -5.850 1.00 0.92 C ATOM 52 CD LYS A 7 -18.159 -5.165 -6.541 1.00 0.87 C ATOM 53 CE LYS A 7 -18.678 -6.336 -7.362 1.00 1.10 C ATOM 54 NZ LYS A 7 -17.584 -7.111 -8.005 1.00 1.19 N ATOM 0 HA LYS A 7 -17.357 -4.571 -3.993 1.00 0.51 H new ATOM 0 HB2 LYS A 7 -19.657 -2.703 -4.646 1.00 0.64 H new ATOM 0 HB3 LYS A 7 -18.125 -2.687 -5.496 1.00 0.64 H new ATOM 0 HG2 LYS A 7 -19.888 -5.149 -5.267 1.00 0.92 H new ATOM 0 HG3 LYS A 7 -19.974 -4.018 -6.602 1.00 0.92 H new ATOM 0 HD2 LYS A 7 -17.620 -4.473 -7.188 1.00 0.87 H new ATOM 0 HD3 LYS A 7 -17.449 -5.524 -5.796 1.00 0.87 H new ATOM 0 HE2 LYS A 7 -19.258 -6.998 -6.719 1.00 1.10 H new ATOM 0 HE3 LYS A 7 -19.356 -5.964 -8.131 1.00 1.10 H new ATOM 0 HZ1 LYS A 7 -17.990 -7.897 -8.552 1.00 1.19 H new ATOM 0 HZ2 LYS A 7 -17.045 -6.489 -8.641 1.00 1.19 H new ATOM 0 HZ3 LYS A 7 -16.950 -7.490 -7.273 1.00 1.19 H new ATOM 68 N LEU A 8 -16.109 -2.657 -3.143 1.00 0.33 N ATOM 69 CA LEU A 8 -15.261 -1.685 -2.488 1.00 0.26 C ATOM 70 C LEU A 8 -14.210 -1.215 -3.489 1.00 0.22 C ATOM 71 O LEU A 8 -13.899 -1.931 -4.439 1.00 0.22 O ATOM 72 CB LEU A 8 -14.604 -2.363 -1.278 1.00 0.25 C ATOM 73 CG LEU A 8 -14.189 -1.477 -0.093 1.00 0.33 C ATOM 74 CD1 LEU A 8 -13.798 -2.357 1.078 1.00 1.18 C ATOM 75 CD2 LEU A 8 -13.019 -0.577 -0.444 1.00 0.81 C ATOM 0 H LEU A 8 -15.604 -3.294 -3.759 1.00 0.33 H new ATOM 0 HA LEU A 8 -15.830 -0.821 -2.144 1.00 0.26 H new ATOM 0 HB2 LEU A 8 -15.294 -3.120 -0.904 1.00 0.25 H new ATOM 0 HB3 LEU A 8 -13.716 -2.887 -1.630 1.00 0.25 H new ATOM 0 HG LEU A 8 -15.039 -0.845 0.165 1.00 0.33 H new ATOM 0 HD11 LEU A 8 -13.503 -1.732 1.921 1.00 1.18 H new ATOM 0 HD12 LEU A 8 -14.647 -2.977 1.366 1.00 1.18 H new ATOM 0 HD13 LEU A 8 -12.963 -2.996 0.790 1.00 1.18 H new ATOM 0 HD21 LEU A 8 -12.757 0.033 0.421 1.00 0.81 H new ATOM 0 HD22 LEU A 8 -12.163 -1.188 -0.730 1.00 0.81 H new ATOM 0 HD23 LEU A 8 -13.296 0.072 -1.275 1.00 0.81 H new ATOM 87 N ARG A 9 -13.698 -0.014 -3.300 1.00 0.24 N ATOM 88 CA ARG A 9 -12.580 0.479 -4.087 1.00 0.23 C ATOM 89 C ARG A 9 -11.569 1.104 -3.142 1.00 0.20 C ATOM 90 O ARG A 9 -11.946 1.871 -2.259 1.00 0.21 O ATOM 91 CB ARG A 9 -13.048 1.503 -5.122 1.00 0.25 C ATOM 92 CG ARG A 9 -11.919 2.067 -5.965 1.00 0.26 C ATOM 93 CD ARG A 9 -12.433 3.003 -7.043 1.00 0.34 C ATOM 94 NE ARG A 9 -11.345 3.573 -7.834 1.00 0.49 N ATOM 95 CZ ARG A 9 -11.370 3.685 -9.163 1.00 0.81 C ATOM 96 NH1 ARG A 9 -12.448 3.310 -9.847 1.00 1.06 N ATOM 97 NH2 ARG A 9 -10.319 4.170 -9.813 1.00 0.98 N ATOM 0 H ARG A 9 -14.041 0.645 -2.602 1.00 0.24 H new ATOM 0 HA ARG A 9 -12.123 -0.348 -4.630 1.00 0.23 H new ATOM 0 HB2 ARG A 9 -13.783 1.036 -5.778 1.00 0.25 H new ATOM 0 HB3 ARG A 9 -13.553 2.322 -4.610 1.00 0.25 H new ATOM 0 HG2 ARG A 9 -11.219 2.602 -5.323 1.00 0.26 H new ATOM 0 HG3 ARG A 9 -11.367 1.249 -6.427 1.00 0.26 H new ATOM 0 HD2 ARG A 9 -13.114 2.461 -7.700 1.00 0.34 H new ATOM 0 HD3 ARG A 9 -13.007 3.807 -6.582 1.00 0.34 H new ATOM 0 HE ARG A 9 -10.517 3.905 -7.340 1.00 0.49 H new ATOM 0 HH11 ARG A 9 -13.259 2.935 -9.355 1.00 1.06 H new ATOM 0 HH12 ARG A 9 -12.463 3.397 -10.863 1.00 1.06 H new ATOM 0 HH21 ARG A 9 -9.488 4.459 -9.296 1.00 0.98 H new ATOM 0 HH22 ARG A 9 -10.342 4.254 -10.829 1.00 0.98 H new ATOM 111 N ALA A 10 -10.297 0.771 -3.302 1.00 0.20 N ATOM 112 CA ALA A 10 -9.291 1.228 -2.357 1.00 0.17 C ATOM 113 C ALA A 10 -7.946 1.473 -3.030 1.00 0.16 C ATOM 114 O ALA A 10 -7.611 0.837 -4.030 1.00 0.17 O ATOM 115 CB ALA A 10 -9.153 0.216 -1.228 1.00 0.22 C ATOM 0 H ALA A 10 -9.941 0.195 -4.065 1.00 0.20 H new ATOM 0 HA ALA A 10 -9.620 2.184 -1.948 1.00 0.17 H new ATOM 0 HB1 ALA A 10 -8.398 0.560 -0.521 1.00 0.22 H new ATOM 0 HB2 ALA A 10 -10.109 0.110 -0.715 1.00 0.22 H new ATOM 0 HB3 ALA A 10 -8.852 -0.748 -1.638 1.00 0.22 H new ATOM 121 N ALA A 11 -7.188 2.409 -2.476 1.00 0.17 N ATOM 122 CA ALA A 11 -5.857 2.723 -2.969 1.00 0.18 C ATOM 123 C ALA A 11 -4.818 2.228 -1.989 1.00 0.17 C ATOM 124 O ALA A 11 -4.941 2.445 -0.787 1.00 0.19 O ATOM 125 CB ALA A 11 -5.696 4.219 -3.203 1.00 0.20 C ATOM 0 H ALA A 11 -7.478 2.970 -1.675 1.00 0.17 H new ATOM 0 HA ALA A 11 -5.716 2.219 -3.925 1.00 0.18 H new ATOM 0 HB1 ALA A 11 -4.691 4.424 -3.571 1.00 0.20 H new ATOM 0 HB2 ALA A 11 -6.427 4.553 -3.939 1.00 0.20 H new ATOM 0 HB3 ALA A 11 -5.855 4.753 -2.266 1.00 0.20 H new ATOM 131 N HIS A 12 -3.796 1.570 -2.500 1.00 0.16 N ATOM 132 CA HIS A 12 -2.825 0.919 -1.642 1.00 0.16 C ATOM 133 C HIS A 12 -1.409 1.123 -2.163 1.00 0.15 C ATOM 134 O HIS A 12 -1.178 1.154 -3.371 1.00 0.19 O ATOM 135 CB HIS A 12 -3.131 -0.577 -1.538 1.00 0.17 C ATOM 136 CG HIS A 12 -2.859 -1.348 -2.795 1.00 0.15 C ATOM 137 ND1 HIS A 12 -3.671 -1.303 -3.905 1.00 0.23 N ATOM 138 CD2 HIS A 12 -1.848 -2.190 -3.108 1.00 0.22 C ATOM 139 CE1 HIS A 12 -3.169 -2.087 -4.838 1.00 0.23 C ATOM 140 NE2 HIS A 12 -2.067 -2.634 -4.381 1.00 0.21 N ATOM 0 H HIS A 12 -3.617 1.472 -3.499 1.00 0.16 H new ATOM 0 HA HIS A 12 -2.894 1.370 -0.652 1.00 0.16 H new ATOM 0 HB2 HIS A 12 -2.538 -1.002 -0.728 1.00 0.17 H new ATOM 0 HB3 HIS A 12 -4.179 -0.704 -1.266 1.00 0.17 H new ATOM 0 HD1 HIS A 12 -4.525 -0.751 -3.992 1.00 0.23 H new ATOM 0 HD2 HIS A 12 -1.020 -2.461 -2.469 1.00 0.22 H new ATOM 0 HE1 HIS A 12 -3.594 -2.252 -5.817 1.00 0.23 H new ATOM 149 N LEU A 13 -0.470 1.249 -1.247 1.00 0.15 N ATOM 150 CA LEU A 13 0.931 1.370 -1.605 1.00 0.14 C ATOM 151 C LEU A 13 1.655 0.118 -1.128 1.00 0.16 C ATOM 152 O LEU A 13 1.315 -0.434 -0.082 1.00 0.24 O ATOM 153 CB LEU A 13 1.527 2.648 -0.988 1.00 0.15 C ATOM 154 CG LEU A 13 2.861 3.132 -1.580 1.00 0.15 C ATOM 155 CD1 LEU A 13 3.058 4.610 -1.296 1.00 0.16 C ATOM 156 CD2 LEU A 13 4.033 2.344 -1.017 1.00 0.18 C ATOM 0 H LEU A 13 -0.652 1.270 -0.244 1.00 0.15 H new ATOM 0 HA LEU A 13 1.047 1.455 -2.686 1.00 0.14 H new ATOM 0 HB2 LEU A 13 0.796 3.450 -1.090 1.00 0.15 H new ATOM 0 HB3 LEU A 13 1.668 2.479 0.080 1.00 0.15 H new ATOM 0 HG LEU A 13 2.823 2.971 -2.657 1.00 0.15 H new ATOM 0 HD11 LEU A 13 4.006 4.939 -1.721 1.00 0.16 H new ATOM 0 HD12 LEU A 13 2.243 5.178 -1.744 1.00 0.16 H new ATOM 0 HD13 LEU A 13 3.066 4.776 -0.219 1.00 0.16 H new ATOM 0 HD21 LEU A 13 4.962 2.710 -1.455 1.00 0.18 H new ATOM 0 HD22 LEU A 13 4.069 2.468 0.065 1.00 0.18 H new ATOM 0 HD23 LEU A 13 3.910 1.288 -1.257 1.00 0.18 H new ATOM 168 N LEU A 14 2.615 -0.346 -1.910 1.00 0.13 N ATOM 169 CA LEU A 14 3.317 -1.585 -1.608 1.00 0.14 C ATOM 170 C LEU A 14 4.824 -1.382 -1.648 1.00 0.16 C ATOM 171 O LEU A 14 5.383 -1.030 -2.684 1.00 0.27 O ATOM 172 CB LEU A 14 2.907 -2.671 -2.608 1.00 0.16 C ATOM 173 CG LEU A 14 3.756 -3.948 -2.597 1.00 0.20 C ATOM 174 CD1 LEU A 14 3.738 -4.616 -1.231 1.00 0.18 C ATOM 175 CD2 LEU A 14 3.260 -4.907 -3.668 1.00 0.27 C ATOM 0 H LEU A 14 2.928 0.118 -2.763 1.00 0.13 H new ATOM 0 HA LEU A 14 3.043 -1.898 -0.601 1.00 0.14 H new ATOM 0 HB2 LEU A 14 1.871 -2.945 -2.412 1.00 0.16 H new ATOM 0 HB3 LEU A 14 2.940 -2.245 -3.611 1.00 0.16 H new ATOM 0 HG LEU A 14 4.788 -3.673 -2.813 1.00 0.20 H new ATOM 0 HD11 LEU A 14 4.350 -5.518 -1.259 1.00 0.18 H new ATOM 0 HD12 LEU A 14 4.138 -3.929 -0.485 1.00 0.18 H new ATOM 0 HD13 LEU A 14 2.714 -4.880 -0.969 1.00 0.18 H new ATOM 0 HD21 LEU A 14 3.867 -5.812 -3.655 1.00 0.27 H new ATOM 0 HD22 LEU A 14 2.219 -5.165 -3.472 1.00 0.27 H new ATOM 0 HD23 LEU A 14 3.338 -4.432 -4.646 1.00 0.27 H new ATOM 187 N VAL A 15 5.469 -1.604 -0.519 1.00 0.13 N ATOM 188 CA VAL A 15 6.918 -1.522 -0.443 1.00 0.13 C ATOM 189 C VAL A 15 7.500 -2.923 -0.301 1.00 0.13 C ATOM 190 O VAL A 15 6.996 -3.739 0.476 1.00 0.15 O ATOM 191 CB VAL A 15 7.391 -0.644 0.742 1.00 0.13 C ATOM 192 CG1 VAL A 15 8.907 -0.510 0.743 1.00 0.13 C ATOM 193 CG2 VAL A 15 6.741 0.729 0.694 1.00 0.15 C ATOM 0 H VAL A 15 5.013 -1.843 0.361 1.00 0.13 H new ATOM 0 HA VAL A 15 7.271 -1.055 -1.363 1.00 0.13 H new ATOM 0 HB VAL A 15 7.086 -1.136 1.665 1.00 0.13 H new ATOM 0 HG11 VAL A 15 9.217 0.111 1.584 1.00 0.13 H new ATOM 0 HG12 VAL A 15 9.359 -1.497 0.835 1.00 0.13 H new ATOM 0 HG13 VAL A 15 9.232 -0.047 -0.189 1.00 0.13 H new ATOM 0 HG21 VAL A 15 7.089 1.326 1.537 1.00 0.15 H new ATOM 0 HG22 VAL A 15 7.009 1.226 -0.238 1.00 0.15 H new ATOM 0 HG23 VAL A 15 5.658 0.621 0.749 1.00 0.15 H new ATOM 203 N LYS A 16 8.533 -3.207 -1.074 1.00 0.15 N ATOM 204 CA LYS A 16 9.206 -4.493 -1.014 1.00 0.17 C ATOM 205 C LYS A 16 10.582 -4.324 -0.392 1.00 0.16 C ATOM 206 O LYS A 16 11.188 -3.257 -0.496 1.00 0.24 O ATOM 207 CB LYS A 16 9.328 -5.102 -2.414 1.00 0.23 C ATOM 208 CG LYS A 16 8.003 -5.534 -3.017 1.00 0.26 C ATOM 209 CD LYS A 16 7.436 -6.747 -2.299 1.00 0.37 C ATOM 210 CE LYS A 16 6.092 -7.163 -2.873 1.00 0.48 C ATOM 211 NZ LYS A 16 6.173 -7.512 -4.316 1.00 0.62 N ATOM 0 H LYS A 16 8.927 -2.559 -1.756 1.00 0.15 H new ATOM 0 HA LYS A 16 8.616 -5.170 -0.397 1.00 0.17 H new ATOM 0 HB2 LYS A 16 9.797 -4.374 -3.076 1.00 0.23 H new ATOM 0 HB3 LYS A 16 9.993 -5.965 -2.367 1.00 0.23 H new ATOM 0 HG2 LYS A 16 7.291 -4.711 -2.962 1.00 0.26 H new ATOM 0 HG3 LYS A 16 8.141 -5.766 -4.073 1.00 0.26 H new ATOM 0 HD2 LYS A 16 8.138 -7.577 -2.378 1.00 0.37 H new ATOM 0 HD3 LYS A 16 7.325 -6.523 -1.238 1.00 0.37 H new ATOM 0 HE2 LYS A 16 5.712 -8.019 -2.316 1.00 0.48 H new ATOM 0 HE3 LYS A 16 5.376 -6.352 -2.738 1.00 0.48 H new ATOM 0 HZ1 LYS A 16 5.703 -8.425 -4.479 1.00 0.62 H new ATOM 0 HZ2 LYS A 16 5.702 -6.775 -4.878 1.00 0.62 H new ATOM 0 HZ3 LYS A 16 7.171 -7.580 -4.601 1.00 0.62 H new ATOM 225 N PHE A 17 11.077 -5.373 0.237 1.00 0.17 N ATOM 226 CA PHE A 17 12.354 -5.313 0.927 1.00 0.17 C ATOM 227 C PHE A 17 13.105 -6.626 0.774 1.00 0.19 C ATOM 228 O PHE A 17 12.532 -7.631 0.359 1.00 0.21 O ATOM 229 CB PHE A 17 12.159 -4.955 2.407 1.00 0.17 C ATOM 230 CG PHE A 17 11.267 -5.891 3.183 1.00 0.17 C ATOM 231 CD1 PHE A 17 11.775 -7.044 3.761 1.00 0.19 C ATOM 232 CD2 PHE A 17 9.923 -5.600 3.353 1.00 0.20 C ATOM 233 CE1 PHE A 17 10.959 -7.890 4.488 1.00 0.23 C ATOM 234 CE2 PHE A 17 9.104 -6.439 4.084 1.00 0.23 C ATOM 235 CZ PHE A 17 9.621 -7.585 4.651 1.00 0.25 C ATOM 0 H PHE A 17 10.613 -6.280 0.285 1.00 0.17 H new ATOM 0 HA PHE A 17 12.954 -4.525 0.472 1.00 0.17 H new ATOM 0 HB2 PHE A 17 13.136 -4.927 2.889 1.00 0.17 H new ATOM 0 HB3 PHE A 17 11.744 -3.949 2.469 1.00 0.17 H new ATOM 0 HD1 PHE A 17 12.821 -7.284 3.642 1.00 0.19 H new ATOM 0 HD2 PHE A 17 9.510 -4.706 2.909 1.00 0.20 H new ATOM 0 HE1 PHE A 17 11.366 -8.788 4.928 1.00 0.23 H new ATOM 0 HE2 PHE A 17 8.059 -6.197 4.211 1.00 0.23 H new ATOM 0 HZ PHE A 17 8.982 -8.243 5.221 1.00 0.25 H new ATOM 245 N SER A 18 14.398 -6.593 1.034 1.00 0.22 N ATOM 246 CA SER A 18 15.229 -7.784 0.971 1.00 0.26 C ATOM 247 C SER A 18 14.630 -8.921 1.807 1.00 0.30 C ATOM 248 O SER A 18 14.534 -8.824 3.034 1.00 0.30 O ATOM 249 CB SER A 18 16.643 -7.439 1.446 1.00 0.29 C ATOM 250 OG SER A 18 16.613 -6.754 2.689 1.00 1.04 O ATOM 0 H SER A 18 14.902 -5.745 1.294 1.00 0.22 H new ATOM 0 HA SER A 18 15.274 -8.132 -0.061 1.00 0.26 H new ATOM 0 HB2 SER A 18 17.229 -8.352 1.545 1.00 0.29 H new ATOM 0 HB3 SER A 18 17.140 -6.821 0.699 1.00 0.29 H new ATOM 0 HG SER A 18 16.410 -5.808 2.536 1.00 1.04 H new ATOM 256 N GLY A 19 14.200 -9.986 1.129 1.00 0.35 N ATOM 257 CA GLY A 19 13.625 -11.125 1.822 1.00 0.45 C ATOM 258 C GLY A 19 12.107 -11.082 1.894 1.00 0.42 C ATOM 259 O GLY A 19 11.494 -11.880 2.606 1.00 0.53 O ATOM 0 H GLY A 19 14.241 -10.078 0.114 1.00 0.35 H new ATOM 0 HA2 GLY A 19 13.932 -12.041 1.317 1.00 0.45 H new ATOM 0 HA3 GLY A 19 14.029 -11.168 2.834 1.00 0.45 H new ATOM 263 N SER A 20 11.487 -10.161 1.165 1.00 0.34 N ATOM 264 CA SER A 20 10.045 -9.984 1.238 1.00 0.41 C ATOM 265 C SER A 20 9.321 -10.859 0.218 1.00 0.40 C ATOM 266 O SER A 20 8.309 -10.441 -0.348 1.00 0.45 O ATOM 267 CB SER A 20 9.692 -8.513 1.002 1.00 0.51 C ATOM 268 OG SER A 20 10.108 -8.081 -0.283 1.00 0.70 O ATOM 0 H SER A 20 11.960 -9.528 0.520 1.00 0.34 H new ATOM 0 HA SER A 20 9.718 -10.287 2.233 1.00 0.41 H new ATOM 0 HB2 SER A 20 8.616 -8.375 1.103 1.00 0.51 H new ATOM 0 HB3 SER A 20 10.166 -7.896 1.766 1.00 0.51 H new ATOM 0 HG SER A 20 11.080 -7.953 -0.286 1.00 0.70 H new ATOM 274 N ARG A 21 9.852 -12.061 -0.037 1.00 0.43 N ATOM 275 CA ARG A 21 9.269 -12.997 -1.011 1.00 0.49 C ATOM 276 C ARG A 21 9.490 -12.509 -2.449 1.00 0.51 C ATOM 277 O ARG A 21 9.688 -13.305 -3.364 1.00 0.60 O ATOM 278 CB ARG A 21 7.774 -13.215 -0.714 1.00 0.58 C ATOM 279 CG ARG A 21 7.040 -14.086 -1.720 1.00 1.25 C ATOM 280 CD ARG A 21 5.589 -14.289 -1.307 1.00 1.25 C ATOM 281 NE ARG A 21 4.785 -14.880 -2.373 1.00 2.28 N ATOM 282 CZ ARG A 21 3.472 -15.089 -2.291 1.00 2.47 C ATOM 283 NH1 ARG A 21 2.818 -14.842 -1.161 1.00 1.89 N ATOM 284 NH2 ARG A 21 2.814 -15.570 -3.337 1.00 3.49 N ATOM 0 H ARG A 21 10.693 -12.412 0.422 1.00 0.43 H new ATOM 0 HA ARG A 21 9.777 -13.956 -0.914 1.00 0.49 H new ATOM 0 HB2 ARG A 21 7.677 -13.666 0.274 1.00 0.58 H new ATOM 0 HB3 ARG A 21 7.282 -12.243 -0.670 1.00 0.58 H new ATOM 0 HG2 ARG A 21 7.080 -13.623 -2.706 1.00 1.25 H new ATOM 0 HG3 ARG A 21 7.538 -15.052 -1.802 1.00 1.25 H new ATOM 0 HD2 ARG A 21 5.551 -14.932 -0.428 1.00 1.25 H new ATOM 0 HD3 ARG A 21 5.158 -13.330 -1.020 1.00 1.25 H new ATOM 0 HE ARG A 21 5.259 -15.150 -3.235 1.00 2.28 H new ATOM 0 HH11 ARG A 21 3.321 -14.489 -0.347 1.00 1.89 H new ATOM 0 HH12 ARG A 21 1.813 -15.005 -1.108 1.00 1.89 H new ATOM 0 HH21 ARG A 21 3.313 -15.779 -4.202 1.00 3.49 H new ATOM 0 HH22 ARG A 21 1.809 -15.731 -3.277 1.00 3.49 H new ATOM 298 N ASN A 22 9.468 -11.195 -2.634 1.00 0.51 N ATOM 299 CA ASN A 22 9.745 -10.582 -3.926 1.00 0.62 C ATOM 300 C ASN A 22 10.727 -9.434 -3.741 1.00 0.58 C ATOM 301 O ASN A 22 10.322 -8.308 -3.451 1.00 0.64 O ATOM 302 CB ASN A 22 8.461 -10.046 -4.567 1.00 0.87 C ATOM 303 CG ASN A 22 7.436 -11.126 -4.844 1.00 0.93 C ATOM 304 OD1 ASN A 22 7.459 -11.763 -5.896 1.00 1.77 O ATOM 305 ND2 ASN A 22 6.517 -11.323 -3.912 1.00 0.80 N ATOM 0 H ASN A 22 9.258 -10.526 -1.894 1.00 0.51 H new ATOM 0 HA ASN A 22 10.171 -11.341 -4.582 1.00 0.62 H new ATOM 0 HB2 ASN A 22 8.020 -9.296 -3.910 1.00 0.87 H new ATOM 0 HB3 ASN A 22 8.711 -9.544 -5.501 1.00 0.87 H new ATOM 0 HD21 ASN A 22 5.791 -12.026 -4.052 1.00 0.80 H new ATOM 0 HD22 ASN A 22 6.535 -10.772 -3.054 1.00 0.80 H new ATOM 312 N PRO A 23 12.030 -9.698 -3.899 1.00 0.55 N ATOM 313 CA PRO A 23 13.067 -8.696 -3.670 1.00 0.61 C ATOM 314 C PRO A 23 13.251 -7.745 -4.856 1.00 0.79 C ATOM 315 O PRO A 23 14.371 -7.495 -5.298 1.00 1.71 O ATOM 316 CB PRO A 23 14.315 -9.539 -3.465 1.00 0.66 C ATOM 317 CG PRO A 23 14.086 -10.759 -4.293 1.00 0.73 C ATOM 318 CD PRO A 23 12.600 -10.992 -4.321 1.00 0.57 C ATOM 0 HA PRO A 23 12.824 -8.043 -2.831 1.00 0.61 H new ATOM 0 HB2 PRO A 23 15.210 -9.006 -3.784 1.00 0.66 H new ATOM 0 HB3 PRO A 23 14.453 -9.793 -2.414 1.00 0.66 H new ATOM 0 HG2 PRO A 23 14.475 -10.620 -5.302 1.00 0.73 H new ATOM 0 HG3 PRO A 23 14.604 -11.618 -3.867 1.00 0.73 H new ATOM 0 HD2 PRO A 23 12.258 -11.273 -5.317 1.00 0.57 H new ATOM 0 HD3 PRO A 23 12.309 -11.796 -3.645 1.00 0.57 H new ATOM 326 N VAL A 24 12.144 -7.204 -5.342 1.00 0.39 N ATOM 327 CA VAL A 24 12.133 -6.244 -6.443 1.00 0.36 C ATOM 328 C VAL A 24 10.983 -5.269 -6.231 1.00 0.32 C ATOM 329 O VAL A 24 9.831 -5.683 -6.175 1.00 0.35 O ATOM 330 CB VAL A 24 11.942 -6.914 -7.829 1.00 0.42 C ATOM 331 CG1 VAL A 24 12.016 -5.874 -8.940 1.00 0.43 C ATOM 332 CG2 VAL A 24 12.962 -8.019 -8.065 1.00 0.48 C ATOM 0 H VAL A 24 11.215 -7.420 -4.981 1.00 0.39 H new ATOM 0 HA VAL A 24 13.102 -5.745 -6.442 1.00 0.36 H new ATOM 0 HB VAL A 24 10.952 -7.371 -7.840 1.00 0.42 H new ATOM 0 HG11 VAL A 24 11.880 -6.362 -9.905 1.00 0.43 H new ATOM 0 HG12 VAL A 24 11.232 -5.131 -8.796 1.00 0.43 H new ATOM 0 HG13 VAL A 24 12.989 -5.384 -8.915 1.00 0.43 H new ATOM 0 HG21 VAL A 24 12.796 -8.464 -9.046 1.00 0.48 H new ATOM 0 HG22 VAL A 24 13.968 -7.601 -8.022 1.00 0.48 H new ATOM 0 HG23 VAL A 24 12.854 -8.784 -7.296 1.00 0.48 H new ATOM 342 N SER A 25 11.296 -3.995 -6.053 1.00 0.32 N ATOM 343 CA SER A 25 10.271 -2.979 -5.888 1.00 0.32 C ATOM 344 C SER A 25 10.152 -2.137 -7.160 1.00 0.32 C ATOM 345 O SER A 25 11.119 -2.018 -7.910 1.00 0.36 O ATOM 346 CB SER A 25 10.626 -2.095 -4.688 1.00 0.42 C ATOM 347 OG SER A 25 9.640 -1.101 -4.463 1.00 1.12 O ATOM 0 H SER A 25 12.252 -3.641 -6.019 1.00 0.32 H new ATOM 0 HA SER A 25 9.309 -3.458 -5.707 1.00 0.32 H new ATOM 0 HB2 SER A 25 10.729 -2.714 -3.797 1.00 0.42 H new ATOM 0 HB3 SER A 25 11.591 -1.619 -4.859 1.00 0.42 H new ATOM 0 HG SER A 25 9.896 -0.556 -3.690 1.00 1.12 H new ATOM 353 N ARG A 26 8.975 -1.546 -7.397 1.00 0.32 N ATOM 354 CA ARG A 26 8.811 -0.569 -8.485 1.00 0.34 C ATOM 355 C ARG A 26 9.570 0.711 -8.168 1.00 0.37 C ATOM 356 O ARG A 26 9.636 1.630 -8.985 1.00 0.44 O ATOM 357 CB ARG A 26 7.340 -0.239 -8.747 1.00 0.39 C ATOM 358 CG ARG A 26 6.709 -1.082 -9.849 1.00 0.52 C ATOM 359 CD ARG A 26 6.965 -2.565 -9.649 1.00 0.82 C ATOM 360 NE ARG A 26 6.454 -3.376 -10.752 1.00 1.21 N ATOM 361 CZ ARG A 26 6.337 -4.703 -10.700 1.00 1.88 C ATOM 362 NH1 ARG A 26 6.686 -5.365 -9.603 1.00 2.47 N ATOM 363 NH2 ARG A 26 5.873 -5.372 -11.746 1.00 2.54 N ATOM 0 H ARG A 26 8.128 -1.723 -6.857 1.00 0.32 H new ATOM 0 HA ARG A 26 9.219 -1.025 -9.387 1.00 0.34 H new ATOM 0 HB2 ARG A 26 6.775 -0.381 -7.825 1.00 0.39 H new ATOM 0 HB3 ARG A 26 7.255 0.814 -9.014 1.00 0.39 H new ATOM 0 HG2 ARG A 26 5.635 -0.900 -9.874 1.00 0.52 H new ATOM 0 HG3 ARG A 26 7.108 -0.773 -10.815 1.00 0.52 H new ATOM 0 HD2 ARG A 26 8.037 -2.734 -9.544 1.00 0.82 H new ATOM 0 HD3 ARG A 26 6.499 -2.888 -8.718 1.00 0.82 H new ATOM 0 HE ARG A 26 6.171 -2.901 -11.609 1.00 1.21 H new ATOM 0 HH11 ARG A 26 7.046 -4.858 -8.794 1.00 2.47 H new ATOM 0 HH12 ARG A 26 6.594 -6.380 -9.569 1.00 2.47 H new ATOM 0 HH21 ARG A 26 5.605 -4.872 -12.593 1.00 2.54 H new ATOM 0 HH22 ARG A 26 5.784 -6.387 -11.704 1.00 2.54 H new ATOM 377 N ARG A 27 10.130 0.764 -6.967 1.00 0.36 N ATOM 378 CA ARG A 27 10.958 1.880 -6.558 1.00 0.44 C ATOM 379 C ARG A 27 12.342 1.742 -7.174 1.00 0.53 C ATOM 380 O ARG A 27 13.019 2.732 -7.444 1.00 0.73 O ATOM 381 CB ARG A 27 11.089 1.919 -5.034 1.00 0.52 C ATOM 382 CG ARG A 27 11.338 3.309 -4.478 1.00 0.55 C ATOM 383 CD ARG A 27 11.996 3.269 -3.106 1.00 0.70 C ATOM 384 NE ARG A 27 13.362 2.752 -3.169 1.00 0.91 N ATOM 385 CZ ARG A 27 14.164 2.624 -2.111 1.00 1.12 C ATOM 386 NH1 ARG A 27 13.764 3.025 -0.909 1.00 1.77 N ATOM 387 NH2 ARG A 27 15.386 2.125 -2.264 1.00 1.63 N ATOM 0 H ARG A 27 10.022 0.039 -6.257 1.00 0.36 H new ATOM 0 HA ARG A 27 10.490 2.803 -6.899 1.00 0.44 H new ATOM 0 HB2 ARG A 27 10.178 1.517 -4.590 1.00 0.52 H new ATOM 0 HB3 ARG A 27 11.907 1.265 -4.732 1.00 0.52 H new ATOM 0 HG2 ARG A 27 11.972 3.866 -5.167 1.00 0.55 H new ATOM 0 HG3 ARG A 27 10.392 3.846 -4.410 1.00 0.55 H new ATOM 0 HD2 ARG A 27 12.007 4.272 -2.680 1.00 0.70 H new ATOM 0 HD3 ARG A 27 11.403 2.645 -2.437 1.00 0.70 H new ATOM 0 HE ARG A 27 13.725 2.471 -4.080 1.00 0.91 H new ATOM 0 HH11 ARG A 27 12.837 3.434 -0.790 1.00 1.77 H new ATOM 0 HH12 ARG A 27 14.384 2.923 -0.105 1.00 1.77 H new ATOM 0 HH21 ARG A 27 15.709 1.841 -3.189 1.00 1.63 H new ATOM 0 HH22 ARG A 27 16.001 2.026 -1.457 1.00 1.63 H new ATOM 401 N THR A 28 12.753 0.498 -7.398 1.00 0.45 N ATOM 402 CA THR A 28 14.097 0.215 -7.870 1.00 0.53 C ATOM 403 C THR A 28 14.080 -0.403 -9.263 1.00 0.55 C ATOM 404 O THR A 28 14.988 -0.186 -10.064 1.00 0.67 O ATOM 405 CB THR A 28 14.815 -0.744 -6.904 1.00 0.55 C ATOM 406 OG1 THR A 28 14.136 -2.007 -6.869 1.00 0.55 O ATOM 407 CG2 THR A 28 14.846 -0.170 -5.501 1.00 0.53 C ATOM 0 H THR A 28 12.172 -0.328 -7.259 1.00 0.45 H new ATOM 0 HA THR A 28 14.632 1.164 -7.914 1.00 0.53 H new ATOM 0 HB THR A 28 15.836 -0.879 -7.262 1.00 0.55 H new ATOM 0 HG1 THR A 28 14.513 -2.561 -6.154 1.00 0.55 H new ATOM 0 HG21 THR A 28 15.358 -0.864 -4.835 1.00 0.53 H new ATOM 0 HG22 THR A 28 15.376 0.782 -5.509 1.00 0.53 H new ATOM 0 HG23 THR A 28 13.826 -0.015 -5.149 1.00 0.53 H new ATOM 415 N GLY A 29 13.051 -1.194 -9.535 1.00 0.47 N ATOM 416 CA GLY A 29 12.903 -1.816 -10.839 1.00 0.52 C ATOM 417 C GLY A 29 13.742 -3.074 -10.993 1.00 0.58 C ATOM 418 O GLY A 29 13.318 -4.037 -11.632 1.00 0.82 O ATOM 0 H GLY A 29 12.310 -1.418 -8.871 1.00 0.47 H new ATOM 0 HA2 GLY A 29 11.854 -2.063 -11.001 1.00 0.52 H new ATOM 0 HA3 GLY A 29 13.185 -1.100 -11.611 1.00 0.52 H new ATOM 422 N ASP A 30 14.930 -3.065 -10.408 1.00 0.53 N ATOM 423 CA ASP A 30 15.851 -4.189 -10.512 1.00 0.58 C ATOM 424 C ASP A 30 15.703 -5.116 -9.314 1.00 0.55 C ATOM 425 O ASP A 30 15.278 -6.262 -9.453 1.00 0.84 O ATOM 426 CB ASP A 30 17.295 -3.690 -10.616 1.00 0.67 C ATOM 427 CG ASP A 30 18.309 -4.819 -10.581 1.00 1.31 C ATOM 428 OD1 ASP A 30 18.558 -5.432 -11.640 1.00 1.69 O ATOM 429 OD2 ASP A 30 18.869 -5.093 -9.496 1.00 2.10 O ATOM 0 H ASP A 30 15.282 -2.286 -9.852 1.00 0.53 H new ATOM 0 HA ASP A 30 15.607 -4.747 -11.416 1.00 0.58 H new ATOM 0 HB2 ASP A 30 17.415 -3.128 -11.542 1.00 0.67 H new ATOM 0 HB3 ASP A 30 17.497 -3.000 -9.796 1.00 0.67 H new ATOM 434 N SER A 31 16.056 -4.618 -8.138 1.00 0.53 N ATOM 435 CA SER A 31 15.933 -5.396 -6.918 1.00 0.50 C ATOM 436 C SER A 31 15.773 -4.490 -5.711 1.00 0.42 C ATOM 437 O SER A 31 16.157 -3.326 -5.741 1.00 0.48 O ATOM 438 CB SER A 31 17.159 -6.290 -6.732 1.00 0.62 C ATOM 439 OG SER A 31 18.358 -5.553 -6.912 1.00 1.08 O ATOM 0 H SER A 31 16.430 -3.678 -8.005 1.00 0.53 H new ATOM 0 HA SER A 31 15.043 -6.020 -7.006 1.00 0.50 H new ATOM 0 HB2 SER A 31 17.145 -6.730 -5.735 1.00 0.62 H new ATOM 0 HB3 SER A 31 17.124 -7.114 -7.445 1.00 0.62 H new ATOM 0 HG SER A 31 18.639 -5.609 -7.849 1.00 1.08 H new ATOM 445 N THR A 32 15.184 -5.023 -4.659 1.00 0.34 N ATOM 446 CA THR A 32 15.086 -4.302 -3.401 1.00 0.29 C ATOM 447 C THR A 32 15.795 -5.102 -2.308 1.00 0.27 C ATOM 448 O THR A 32 15.476 -5.015 -1.125 1.00 0.28 O ATOM 449 CB THR A 32 13.609 -4.018 -3.032 1.00 0.27 C ATOM 450 OG1 THR A 32 13.520 -3.171 -1.889 1.00 0.27 O ATOM 451 CG2 THR A 32 12.847 -5.302 -2.772 1.00 0.29 C ATOM 0 H THR A 32 14.765 -5.953 -4.648 1.00 0.34 H new ATOM 0 HA THR A 32 15.576 -3.333 -3.502 1.00 0.29 H new ATOM 0 HB THR A 32 13.158 -3.511 -3.885 1.00 0.27 H new ATOM 0 HG1 THR A 32 12.675 -3.340 -1.422 1.00 0.27 H new ATOM 0 HG21 THR A 32 11.814 -5.067 -2.516 1.00 0.29 H new ATOM 0 HG22 THR A 32 12.866 -5.924 -3.667 1.00 0.29 H new ATOM 0 HG23 THR A 32 13.312 -5.840 -1.946 1.00 0.29 H new ATOM 459 N ALA A 33 16.793 -5.867 -2.733 1.00 0.31 N ATOM 460 CA ALA A 33 17.555 -6.729 -1.841 1.00 0.32 C ATOM 461 C ALA A 33 18.541 -5.924 -0.994 1.00 0.34 C ATOM 462 O ALA A 33 19.206 -6.462 -0.110 1.00 0.37 O ATOM 463 CB ALA A 33 18.285 -7.787 -2.650 1.00 0.37 C ATOM 0 H ALA A 33 17.096 -5.907 -3.706 1.00 0.31 H new ATOM 0 HA ALA A 33 16.859 -7.216 -1.158 1.00 0.32 H new ATOM 0 HB1 ALA A 33 18.854 -8.430 -1.979 1.00 0.37 H new ATOM 0 HB2 ALA A 33 17.561 -8.388 -3.201 1.00 0.37 H new ATOM 0 HB3 ALA A 33 18.964 -7.304 -3.352 1.00 0.37 H new ATOM 469 N ASP A 34 18.630 -4.637 -1.279 1.00 0.35 N ATOM 470 CA ASP A 34 19.543 -3.744 -0.570 1.00 0.40 C ATOM 471 C ASP A 34 18.841 -3.054 0.597 1.00 0.36 C ATOM 472 O ASP A 34 19.471 -2.682 1.586 1.00 0.43 O ATOM 473 CB ASP A 34 20.100 -2.700 -1.542 1.00 0.49 C ATOM 474 CG ASP A 34 20.888 -1.603 -0.850 1.00 1.29 C ATOM 475 OD1 ASP A 34 22.052 -1.845 -0.471 1.00 1.31 O ATOM 476 OD2 ASP A 34 20.347 -0.487 -0.694 1.00 2.21 O ATOM 0 H ASP A 34 18.077 -4.179 -2.003 1.00 0.35 H new ATOM 0 HA ASP A 34 20.363 -4.338 -0.166 1.00 0.40 H new ATOM 0 HB2 ASP A 34 20.742 -3.196 -2.270 1.00 0.49 H new ATOM 0 HB3 ASP A 34 19.275 -2.252 -2.097 1.00 0.49 H new ATOM 481 N VAL A 35 17.530 -2.918 0.490 1.00 0.31 N ATOM 482 CA VAL A 35 16.742 -2.253 1.518 1.00 0.28 C ATOM 483 C VAL A 35 16.102 -3.293 2.430 1.00 0.25 C ATOM 484 O VAL A 35 15.637 -4.335 1.969 1.00 0.25 O ATOM 485 CB VAL A 35 15.679 -1.298 0.893 1.00 0.27 C ATOM 486 CG1 VAL A 35 15.536 -1.539 -0.603 1.00 0.28 C ATOM 487 CG2 VAL A 35 14.327 -1.431 1.581 1.00 0.26 C ATOM 0 H VAL A 35 16.985 -3.260 -0.302 1.00 0.31 H new ATOM 0 HA VAL A 35 17.404 -1.630 2.119 1.00 0.28 H new ATOM 0 HB VAL A 35 16.035 -0.280 1.048 1.00 0.27 H new ATOM 0 HG11 VAL A 35 14.788 -0.859 -1.011 1.00 0.28 H new ATOM 0 HG12 VAL A 35 16.493 -1.362 -1.093 1.00 0.28 H new ATOM 0 HG13 VAL A 35 15.224 -2.569 -0.777 1.00 0.28 H new ATOM 0 HG21 VAL A 35 13.614 -0.750 1.117 1.00 0.26 H new ATOM 0 HG22 VAL A 35 13.967 -2.455 1.482 1.00 0.26 H new ATOM 0 HG23 VAL A 35 14.430 -1.184 2.637 1.00 0.26 H new ATOM 497 N THR A 36 16.104 -3.019 3.728 1.00 0.25 N ATOM 498 CA THR A 36 15.627 -3.975 4.708 1.00 0.27 C ATOM 499 C THR A 36 14.175 -3.699 5.030 1.00 0.23 C ATOM 500 O THR A 36 13.615 -2.725 4.534 1.00 0.20 O ATOM 501 CB THR A 36 16.445 -3.898 6.009 1.00 0.31 C ATOM 502 OG1 THR A 36 16.358 -2.575 6.557 1.00 0.30 O ATOM 503 CG2 THR A 36 17.901 -4.256 5.759 1.00 0.39 C ATOM 0 H THR A 36 16.433 -2.138 4.124 1.00 0.25 H new ATOM 0 HA THR A 36 15.738 -4.972 4.281 1.00 0.27 H new ATOM 0 HB THR A 36 16.033 -4.616 6.718 1.00 0.31 H new ATOM 0 HG1 THR A 36 17.050 -2.009 6.156 1.00 0.30 H new ATOM 0 HG21 THR A 36 18.457 -4.194 6.695 1.00 0.39 H new ATOM 0 HG22 THR A 36 17.964 -5.271 5.366 1.00 0.39 H new ATOM 0 HG23 THR A 36 18.328 -3.560 5.036 1.00 0.39 H new ATOM 511 N TYR A 37 13.559 -4.523 5.863 1.00 0.26 N ATOM 512 CA TYR A 37 12.196 -4.246 6.279 1.00 0.27 C ATOM 513 C TYR A 37 12.171 -2.941 7.072 1.00 0.23 C ATOM 514 O TYR A 37 11.178 -2.222 7.071 1.00 0.23 O ATOM 515 CB TYR A 37 11.607 -5.410 7.093 1.00 0.38 C ATOM 516 CG TYR A 37 11.881 -5.357 8.581 1.00 0.44 C ATOM 517 CD1 TYR A 37 13.063 -5.851 9.116 1.00 0.68 C ATOM 518 CD2 TYR A 37 10.940 -4.820 9.451 1.00 1.16 C ATOM 519 CE1 TYR A 37 13.300 -5.806 10.477 1.00 0.74 C ATOM 520 CE2 TYR A 37 11.171 -4.769 10.810 1.00 1.53 C ATOM 521 CZ TYR A 37 12.351 -5.264 11.319 1.00 1.12 C ATOM 522 OH TYR A 37 12.582 -5.215 12.674 1.00 1.50 O ATOM 0 H TYR A 37 13.970 -5.370 6.256 1.00 0.26 H new ATOM 0 HA TYR A 37 11.569 -4.138 5.394 1.00 0.27 H new ATOM 0 HB2 TYR A 37 10.528 -5.432 6.939 1.00 0.38 H new ATOM 0 HB3 TYR A 37 12.004 -6.346 6.699 1.00 0.38 H new ATOM 0 HD1 TYR A 37 13.808 -6.276 8.460 1.00 0.68 H new ATOM 0 HD2 TYR A 37 10.011 -4.436 9.056 1.00 1.16 H new ATOM 0 HE1 TYR A 37 14.224 -6.194 10.880 1.00 0.74 H new ATOM 0 HE2 TYR A 37 10.431 -4.343 11.471 1.00 1.53 H new ATOM 0 HH TYR A 37 11.814 -4.802 13.122 1.00 1.50 H new ATOM 532 N GLU A 38 13.299 -2.622 7.706 1.00 0.23 N ATOM 533 CA GLU A 38 13.432 -1.393 8.476 1.00 0.24 C ATOM 534 C GLU A 38 13.524 -0.192 7.543 1.00 0.24 C ATOM 535 O GLU A 38 12.839 0.808 7.740 1.00 0.26 O ATOM 536 CB GLU A 38 14.668 -1.454 9.375 1.00 0.29 C ATOM 537 CG GLU A 38 14.677 -2.644 10.315 1.00 0.35 C ATOM 538 CD GLU A 38 15.851 -2.631 11.268 1.00 0.67 C ATOM 539 OE1 GLU A 38 16.949 -3.086 10.882 1.00 0.96 O ATOM 540 OE2 GLU A 38 15.680 -2.169 12.414 1.00 0.93 O ATOM 0 H GLU A 38 14.137 -3.204 7.699 1.00 0.23 H new ATOM 0 HA GLU A 38 12.548 -1.284 9.105 1.00 0.24 H new ATOM 0 HB2 GLU A 38 15.560 -1.489 8.750 1.00 0.29 H new ATOM 0 HB3 GLU A 38 14.726 -0.537 9.962 1.00 0.29 H new ATOM 0 HG2 GLU A 38 13.750 -2.655 10.888 1.00 0.35 H new ATOM 0 HG3 GLU A 38 14.701 -3.563 9.730 1.00 0.35 H new ATOM 547 N ASP A 39 14.364 -0.302 6.514 1.00 0.24 N ATOM 548 CA ASP A 39 14.489 0.763 5.517 1.00 0.26 C ATOM 549 C ASP A 39 13.179 0.914 4.765 1.00 0.22 C ATOM 550 O ASP A 39 12.795 2.011 4.361 1.00 0.23 O ATOM 551 CB ASP A 39 15.605 0.466 4.511 1.00 0.31 C ATOM 552 CG ASP A 39 16.976 0.368 5.139 1.00 0.61 C ATOM 553 OD1 ASP A 39 17.487 1.406 5.603 1.00 0.91 O ATOM 554 OD2 ASP A 39 17.533 -0.747 5.195 1.00 0.82 O ATOM 0 H ASP A 39 14.964 -1.110 6.349 1.00 0.24 H new ATOM 0 HA ASP A 39 14.735 1.684 6.045 1.00 0.26 H new ATOM 0 HB2 ASP A 39 15.381 -0.470 3.999 1.00 0.31 H new ATOM 0 HB3 ASP A 39 15.617 1.249 3.753 1.00 0.31 H new ATOM 559 N ALA A 40 12.504 -0.210 4.587 1.00 0.19 N ATOM 560 CA ALA A 40 11.221 -0.248 3.900 1.00 0.18 C ATOM 561 C ALA A 40 10.148 0.439 4.730 1.00 0.16 C ATOM 562 O ALA A 40 9.365 1.234 4.212 1.00 0.17 O ATOM 563 CB ALA A 40 10.823 -1.683 3.598 1.00 0.18 C ATOM 0 H ALA A 40 12.828 -1.120 4.913 1.00 0.19 H new ATOM 0 HA ALA A 40 11.320 0.289 2.957 1.00 0.18 H new ATOM 0 HB1 ALA A 40 9.862 -1.694 3.084 1.00 0.18 H new ATOM 0 HB2 ALA A 40 11.579 -2.144 2.963 1.00 0.18 H new ATOM 0 HB3 ALA A 40 10.742 -2.242 4.530 1.00 0.18 H new ATOM 569 N ILE A 41 10.110 0.130 6.023 1.00 0.16 N ATOM 570 CA ILE A 41 9.198 0.807 6.935 1.00 0.18 C ATOM 571 C ILE A 41 9.535 2.284 6.992 1.00 0.20 C ATOM 572 O ILE A 41 8.646 3.133 7.027 1.00 0.21 O ATOM 573 CB ILE A 41 9.234 0.208 8.365 1.00 0.22 C ATOM 574 CG1 ILE A 41 8.652 -1.207 8.373 1.00 0.24 C ATOM 575 CG2 ILE A 41 8.469 1.095 9.339 1.00 0.27 C ATOM 576 CD1 ILE A 41 8.709 -1.884 9.726 1.00 0.30 C ATOM 0 H ILE A 41 10.697 -0.581 6.459 1.00 0.16 H new ATOM 0 HA ILE A 41 8.189 0.664 6.549 1.00 0.18 H new ATOM 0 HB ILE A 41 10.275 0.158 8.684 1.00 0.22 H new ATOM 0 HG12 ILE A 41 7.614 -1.165 8.042 1.00 0.24 H new ATOM 0 HG13 ILE A 41 9.193 -1.816 7.649 1.00 0.24 H new ATOM 0 HG21 ILE A 41 8.506 0.657 10.336 1.00 0.27 H new ATOM 0 HG22 ILE A 41 8.922 2.086 9.361 1.00 0.27 H new ATOM 0 HG23 ILE A 41 7.431 1.177 9.018 1.00 0.27 H new ATOM 0 HD11 ILE A 41 8.278 -2.883 9.652 1.00 0.30 H new ATOM 0 HD12 ILE A 41 9.746 -1.960 10.052 1.00 0.30 H new ATOM 0 HD13 ILE A 41 8.143 -1.298 10.450 1.00 0.30 H new ATOM 588 N LYS A 42 10.827 2.586 6.951 1.00 0.22 N ATOM 589 CA LYS A 42 11.280 3.965 6.984 1.00 0.28 C ATOM 590 C LYS A 42 10.791 4.707 5.747 1.00 0.28 C ATOM 591 O LYS A 42 10.668 5.929 5.746 1.00 0.37 O ATOM 592 CB LYS A 42 12.802 4.037 7.053 1.00 0.31 C ATOM 593 CG LYS A 42 13.317 5.416 7.434 1.00 0.85 C ATOM 594 CD LYS A 42 14.785 5.595 7.090 1.00 1.14 C ATOM 595 CE LYS A 42 15.008 5.558 5.588 1.00 1.46 C ATOM 596 NZ LYS A 42 16.346 6.078 5.210 1.00 2.32 N ATOM 0 H LYS A 42 11.575 1.895 6.895 1.00 0.22 H new ATOM 0 HA LYS A 42 10.868 4.435 7.877 1.00 0.28 H new ATOM 0 HB2 LYS A 42 13.162 3.308 7.779 1.00 0.31 H new ATOM 0 HB3 LYS A 42 13.217 3.755 6.086 1.00 0.31 H new ATOM 0 HG2 LYS A 42 12.730 6.176 6.919 1.00 0.85 H new ATOM 0 HG3 LYS A 42 13.174 5.573 8.503 1.00 0.85 H new ATOM 0 HD2 LYS A 42 15.141 6.545 7.489 1.00 1.14 H new ATOM 0 HD3 LYS A 42 15.371 4.809 7.566 1.00 1.14 H new ATOM 0 HE2 LYS A 42 14.904 4.533 5.231 1.00 1.46 H new ATOM 0 HE3 LYS A 42 14.237 6.148 5.093 1.00 1.46 H new ATOM 0 HZ1 LYS A 42 16.456 6.035 4.177 1.00 2.32 H new ATOM 0 HZ2 LYS A 42 16.437 7.064 5.527 1.00 2.32 H new ATOM 0 HZ3 LYS A 42 17.083 5.500 5.661 1.00 2.32 H new ATOM 610 N GLU A 43 10.499 3.949 4.702 1.00 0.22 N ATOM 611 CA GLU A 43 10.012 4.512 3.458 1.00 0.25 C ATOM 612 C GLU A 43 8.510 4.683 3.540 1.00 0.18 C ATOM 613 O GLU A 43 7.978 5.779 3.353 1.00 0.18 O ATOM 614 CB GLU A 43 10.347 3.593 2.283 1.00 0.33 C ATOM 615 CG GLU A 43 9.861 4.125 0.947 1.00 0.34 C ATOM 616 CD GLU A 43 10.924 4.919 0.219 1.00 0.55 C ATOM 617 OE1 GLU A 43 12.120 4.722 0.508 1.00 1.02 O ATOM 618 OE2 GLU A 43 10.565 5.752 -0.640 1.00 0.94 O ATOM 0 H GLU A 43 10.593 2.933 4.694 1.00 0.22 H new ATOM 0 HA GLU A 43 10.493 5.477 3.300 1.00 0.25 H new ATOM 0 HB2 GLU A 43 11.427 3.451 2.238 1.00 0.33 H new ATOM 0 HB3 GLU A 43 9.903 2.613 2.459 1.00 0.33 H new ATOM 0 HG2 GLU A 43 9.543 3.291 0.321 1.00 0.34 H new ATOM 0 HG3 GLU A 43 8.986 4.756 1.107 1.00 0.34 H new ATOM 625 N LEU A 44 7.840 3.583 3.858 1.00 0.16 N ATOM 626 CA LEU A 44 6.389 3.545 3.875 1.00 0.15 C ATOM 627 C LEU A 44 5.838 4.562 4.871 1.00 0.14 C ATOM 628 O LEU A 44 4.810 5.188 4.626 1.00 0.16 O ATOM 629 CB LEU A 44 5.894 2.140 4.231 1.00 0.13 C ATOM 630 CG LEU A 44 4.390 1.922 4.039 1.00 0.15 C ATOM 631 CD1 LEU A 44 4.009 2.095 2.581 1.00 0.17 C ATOM 632 CD2 LEU A 44 3.978 0.547 4.521 1.00 0.14 C ATOM 0 H LEU A 44 8.285 2.700 4.109 1.00 0.16 H new ATOM 0 HA LEU A 44 6.029 3.802 2.879 1.00 0.15 H new ATOM 0 HB2 LEU A 44 6.433 1.415 3.621 1.00 0.13 H new ATOM 0 HB3 LEU A 44 6.147 1.933 5.271 1.00 0.13 H new ATOM 0 HG LEU A 44 3.864 2.670 4.633 1.00 0.15 H new ATOM 0 HD11 LEU A 44 2.937 1.936 2.464 1.00 0.17 H new ATOM 0 HD12 LEU A 44 4.264 3.103 2.255 1.00 0.17 H new ATOM 0 HD13 LEU A 44 4.551 1.370 1.975 1.00 0.17 H new ATOM 0 HD21 LEU A 44 2.906 0.416 4.374 1.00 0.14 H new ATOM 0 HD22 LEU A 44 4.517 -0.213 3.956 1.00 0.14 H new ATOM 0 HD23 LEU A 44 4.214 0.447 5.580 1.00 0.14 H new ATOM 644 N GLN A 45 6.548 4.726 5.984 1.00 0.14 N ATOM 645 CA GLN A 45 6.142 5.653 7.038 1.00 0.14 C ATOM 646 C GLN A 45 6.150 7.102 6.567 1.00 0.17 C ATOM 647 O GLN A 45 5.297 7.888 6.976 1.00 0.27 O ATOM 648 CB GLN A 45 7.045 5.486 8.257 1.00 0.16 C ATOM 649 CG GLN A 45 6.520 4.471 9.258 1.00 0.22 C ATOM 650 CD GLN A 45 5.660 5.117 10.325 1.00 0.36 C ATOM 651 OE1 GLN A 45 6.167 5.565 11.351 1.00 0.87 O ATOM 652 NE2 GLN A 45 4.358 5.175 10.096 1.00 0.44 N ATOM 0 H GLN A 45 7.414 4.225 6.181 1.00 0.14 H new ATOM 0 HA GLN A 45 5.115 5.410 7.310 1.00 0.14 H new ATOM 0 HB2 GLN A 45 8.038 5.180 7.926 1.00 0.16 H new ATOM 0 HB3 GLN A 45 7.157 6.450 8.752 1.00 0.16 H new ATOM 0 HG2 GLN A 45 5.938 3.713 8.734 1.00 0.22 H new ATOM 0 HG3 GLN A 45 7.359 3.960 9.730 1.00 0.22 H new ATOM 0 HE21 GLN A 45 3.975 4.792 9.232 1.00 0.44 H new ATOM 0 HE22 GLN A 45 3.738 5.603 10.784 1.00 0.44 H new ATOM 661 N LYS A 46 7.100 7.456 5.713 1.00 0.14 N ATOM 662 CA LYS A 46 7.161 8.815 5.189 1.00 0.17 C ATOM 663 C LYS A 46 6.009 9.048 4.229 1.00 0.18 C ATOM 664 O LYS A 46 5.328 10.067 4.290 1.00 0.21 O ATOM 665 CB LYS A 46 8.470 9.074 4.441 1.00 0.22 C ATOM 666 CG LYS A 46 9.737 8.856 5.250 1.00 0.27 C ATOM 667 CD LYS A 46 10.956 9.085 4.372 1.00 0.39 C ATOM 668 CE LYS A 46 12.261 8.792 5.085 1.00 0.49 C ATOM 669 NZ LYS A 46 13.425 9.025 4.190 1.00 1.31 N ATOM 0 H LYS A 46 7.830 6.831 5.371 1.00 0.14 H new ATOM 0 HA LYS A 46 7.100 9.495 6.039 1.00 0.17 H new ATOM 0 HB2 LYS A 46 8.502 8.426 3.565 1.00 0.22 H new ATOM 0 HB3 LYS A 46 8.464 10.102 4.077 1.00 0.22 H new ATOM 0 HG2 LYS A 46 9.758 9.537 6.101 1.00 0.27 H new ATOM 0 HG3 LYS A 46 9.753 7.843 5.652 1.00 0.27 H new ATOM 0 HD2 LYS A 46 10.883 8.454 3.486 1.00 0.39 H new ATOM 0 HD3 LYS A 46 10.960 10.119 4.028 1.00 0.39 H new ATOM 0 HE2 LYS A 46 12.346 9.424 5.969 1.00 0.49 H new ATOM 0 HE3 LYS A 46 12.266 7.758 5.431 1.00 0.49 H new ATOM 0 HZ1 LYS A 46 14.305 8.817 4.704 1.00 1.31 H new ATOM 0 HZ2 LYS A 46 13.354 8.404 3.359 1.00 1.31 H new ATOM 0 HZ3 LYS A 46 13.432 10.018 3.880 1.00 1.31 H new ATOM 683 N TRP A 47 5.814 8.103 3.323 1.00 0.16 N ATOM 684 CA TRP A 47 4.737 8.191 2.355 1.00 0.19 C ATOM 685 C TRP A 47 3.377 8.208 3.029 1.00 0.19 C ATOM 686 O TRP A 47 2.556 9.067 2.726 1.00 0.22 O ATOM 687 CB TRP A 47 4.851 7.057 1.339 1.00 0.20 C ATOM 688 CG TRP A 47 6.122 7.170 0.570 1.00 0.20 C ATOM 689 CD1 TRP A 47 7.117 6.241 0.454 1.00 0.18 C ATOM 690 CD2 TRP A 47 6.557 8.322 -0.157 1.00 0.30 C ATOM 691 NE1 TRP A 47 8.139 6.751 -0.302 1.00 0.24 N ATOM 692 CE2 TRP A 47 7.816 8.025 -0.690 1.00 0.32 C ATOM 693 CE3 TRP A 47 5.994 9.579 -0.412 1.00 0.41 C ATOM 694 CZ2 TRP A 47 8.528 8.935 -1.457 1.00 0.43 C ATOM 695 CZ3 TRP A 47 6.702 10.481 -1.177 1.00 0.52 C ATOM 696 CH2 TRP A 47 7.959 10.157 -1.692 1.00 0.52 C ATOM 0 H TRP A 47 6.390 7.265 3.239 1.00 0.16 H new ATOM 0 HA TRP A 47 4.831 9.137 1.822 1.00 0.19 H new ATOM 0 HB2 TRP A 47 4.814 6.096 1.852 1.00 0.20 H new ATOM 0 HB3 TRP A 47 4.002 7.086 0.656 1.00 0.20 H new ATOM 0 HD1 TRP A 47 7.100 5.254 0.892 1.00 0.18 H new ATOM 0 HE1 TRP A 47 9.002 6.261 -0.538 1.00 0.24 H new ATOM 0 HE3 TRP A 47 5.023 9.837 -0.016 1.00 0.41 H new ATOM 0 HZ2 TRP A 47 9.500 8.687 -1.856 1.00 0.43 H new ATOM 0 HZ3 TRP A 47 6.278 11.453 -1.381 1.00 0.52 H new ATOM 0 HH2 TRP A 47 8.492 10.884 -2.287 1.00 0.52 H new ATOM 707 N SER A 48 3.148 7.300 3.967 1.00 0.17 N ATOM 708 CA SER A 48 1.886 7.273 4.686 1.00 0.19 C ATOM 709 C SER A 48 1.722 8.549 5.509 1.00 0.20 C ATOM 710 O SER A 48 0.608 8.943 5.850 1.00 0.28 O ATOM 711 CB SER A 48 1.793 6.028 5.577 1.00 0.23 C ATOM 712 OG SER A 48 2.767 6.036 6.609 1.00 0.82 O ATOM 0 H SER A 48 3.814 6.579 4.245 1.00 0.17 H new ATOM 0 HA SER A 48 1.073 7.224 3.961 1.00 0.19 H new ATOM 0 HB2 SER A 48 0.798 5.972 6.019 1.00 0.23 H new ATOM 0 HB3 SER A 48 1.921 5.135 4.966 1.00 0.23 H new ATOM 0 HG SER A 48 3.455 6.704 6.405 1.00 0.82 H new ATOM 718 N GLN A 49 2.844 9.194 5.819 1.00 0.17 N ATOM 719 CA GLN A 49 2.824 10.486 6.488 1.00 0.17 C ATOM 720 C GLN A 49 2.402 11.571 5.513 1.00 0.18 C ATOM 721 O GLN A 49 1.422 12.270 5.735 1.00 0.21 O ATOM 722 CB GLN A 49 4.213 10.841 7.023 1.00 0.19 C ATOM 723 CG GLN A 49 4.202 12.035 7.962 1.00 0.23 C ATOM 724 CD GLN A 49 5.571 12.660 8.119 1.00 0.36 C ATOM 725 OE1 GLN A 49 6.340 12.289 9.004 1.00 0.53 O ATOM 726 NE2 GLN A 49 5.888 13.612 7.255 1.00 0.45 N ATOM 0 H GLN A 49 3.779 8.840 5.616 1.00 0.17 H new ATOM 0 HA GLN A 49 2.117 10.422 7.315 1.00 0.17 H new ATOM 0 HB2 GLN A 49 4.626 9.978 7.546 1.00 0.19 H new ATOM 0 HB3 GLN A 49 4.876 11.052 6.184 1.00 0.19 H new ATOM 0 HG2 GLN A 49 3.505 12.784 7.585 1.00 0.23 H new ATOM 0 HG3 GLN A 49 3.835 11.722 8.939 1.00 0.23 H new ATOM 0 HE21 GLN A 49 5.221 13.890 6.535 1.00 0.45 H new ATOM 0 HE22 GLN A 49 6.799 14.067 7.309 1.00 0.45 H new ATOM 735 N ARG A 50 3.150 11.686 4.424 1.00 0.16 N ATOM 736 CA ARG A 50 2.941 12.747 3.447 1.00 0.16 C ATOM 737 C ARG A 50 1.556 12.662 2.820 1.00 0.14 C ATOM 738 O ARG A 50 0.892 13.677 2.624 1.00 0.15 O ATOM 739 CB ARG A 50 3.997 12.675 2.351 1.00 0.15 C ATOM 740 CG ARG A 50 5.418 12.916 2.824 1.00 0.19 C ATOM 741 CD ARG A 50 6.385 12.822 1.659 1.00 0.20 C ATOM 742 NE ARG A 50 7.749 13.179 2.035 1.00 0.27 N ATOM 743 CZ ARG A 50 8.727 13.410 1.162 1.00 0.33 C ATOM 744 NH1 ARG A 50 8.496 13.317 -0.144 1.00 0.35 N ATOM 745 NH2 ARG A 50 9.938 13.740 1.597 1.00 0.42 N ATOM 0 H ARG A 50 3.914 11.051 4.193 1.00 0.16 H new ATOM 0 HA ARG A 50 3.025 13.698 3.974 1.00 0.16 H new ATOM 0 HB2 ARG A 50 3.947 11.693 1.881 1.00 0.15 H new ATOM 0 HB3 ARG A 50 3.755 13.409 1.583 1.00 0.15 H new ATOM 0 HG2 ARG A 50 5.492 13.900 3.288 1.00 0.19 H new ATOM 0 HG3 ARG A 50 5.684 12.183 3.586 1.00 0.19 H new ATOM 0 HD2 ARG A 50 6.375 11.806 1.263 1.00 0.20 H new ATOM 0 HD3 ARG A 50 6.048 13.480 0.858 1.00 0.20 H new ATOM 0 HE ARG A 50 7.967 13.256 3.029 1.00 0.27 H new ATOM 0 HH11 ARG A 50 7.566 13.068 -0.481 1.00 0.35 H new ATOM 0 HH12 ARG A 50 9.249 13.495 -0.809 1.00 0.35 H new ATOM 0 HH21 ARG A 50 10.117 13.816 2.598 1.00 0.42 H new ATOM 0 HH22 ARG A 50 10.689 13.917 0.930 1.00 0.42 H new ATOM 759 N ILE A 51 1.141 11.447 2.490 1.00 0.13 N ATOM 760 CA ILE A 51 -0.186 11.210 1.939 1.00 0.13 C ATOM 761 C ILE A 51 -1.270 11.655 2.925 1.00 0.16 C ATOM 762 O ILE A 51 -2.313 12.181 2.526 1.00 0.20 O ATOM 763 CB ILE A 51 -0.377 9.715 1.593 1.00 0.13 C ATOM 764 CG1 ILE A 51 0.616 9.288 0.509 1.00 0.12 C ATOM 765 CG2 ILE A 51 -1.800 9.444 1.136 1.00 0.15 C ATOM 766 CD1 ILE A 51 0.637 7.792 0.265 1.00 0.13 C ATOM 0 H ILE A 51 1.708 10.606 2.595 1.00 0.13 H new ATOM 0 HA ILE A 51 -0.277 11.797 1.025 1.00 0.13 H new ATOM 0 HB ILE A 51 -0.188 9.131 2.494 1.00 0.13 H new ATOM 0 HG12 ILE A 51 0.366 9.797 -0.422 1.00 0.12 H new ATOM 0 HG13 ILE A 51 1.616 9.616 0.793 1.00 0.12 H new ATOM 0 HG21 ILE A 51 -1.910 8.386 0.898 1.00 0.15 H new ATOM 0 HG22 ILE A 51 -2.495 9.711 1.932 1.00 0.15 H new ATOM 0 HG23 ILE A 51 -2.017 10.040 0.249 1.00 0.15 H new ATOM 0 HD11 ILE A 51 1.362 7.561 -0.515 1.00 0.13 H new ATOM 0 HD12 ILE A 51 0.916 7.277 1.184 1.00 0.13 H new ATOM 0 HD13 ILE A 51 -0.353 7.461 -0.050 1.00 0.13 H new ATOM 778 N ALA A 52 -1.002 11.466 4.212 1.00 0.16 N ATOM 779 CA ALA A 52 -1.954 11.824 5.254 1.00 0.20 C ATOM 780 C ALA A 52 -1.920 13.322 5.546 1.00 0.22 C ATOM 781 O ALA A 52 -2.960 13.953 5.725 1.00 0.27 O ATOM 782 CB ALA A 52 -1.661 11.032 6.520 1.00 0.21 C ATOM 0 H ALA A 52 -0.130 11.066 4.558 1.00 0.16 H new ATOM 0 HA ALA A 52 -2.955 11.576 4.900 1.00 0.20 H new ATOM 0 HB1 ALA A 52 -2.378 11.306 7.294 1.00 0.21 H new ATOM 0 HB2 ALA A 52 -1.744 9.966 6.309 1.00 0.21 H new ATOM 0 HB3 ALA A 52 -0.651 11.256 6.864 1.00 0.21 H new ATOM 788 N SER A 53 -0.720 13.884 5.584 1.00 0.22 N ATOM 789 CA SER A 53 -0.538 15.288 5.918 1.00 0.26 C ATOM 790 C SER A 53 -0.952 16.198 4.767 1.00 0.28 C ATOM 791 O SER A 53 -1.392 17.328 4.985 1.00 0.35 O ATOM 792 CB SER A 53 0.926 15.540 6.274 1.00 0.28 C ATOM 793 OG SER A 53 1.774 15.123 5.218 1.00 0.26 O ATOM 0 H SER A 53 0.147 13.384 5.386 1.00 0.22 H new ATOM 0 HA SER A 53 -1.176 15.519 6.771 1.00 0.26 H new ATOM 0 HB2 SER A 53 1.080 16.600 6.474 1.00 0.28 H new ATOM 0 HB3 SER A 53 1.182 15.003 7.187 1.00 0.28 H new ATOM 0 HG SER A 53 1.237 14.705 4.513 1.00 0.26 H new ATOM 799 N GLY A 54 -0.810 15.707 3.544 1.00 0.25 N ATOM 800 CA GLY A 54 -1.153 16.502 2.382 1.00 0.28 C ATOM 801 C GLY A 54 0.075 16.965 1.624 1.00 0.26 C ATOM 802 O GLY A 54 -0.030 17.730 0.663 1.00 0.30 O ATOM 0 H GLY A 54 -0.463 14.771 3.335 1.00 0.25 H new ATOM 0 HA2 GLY A 54 -1.789 15.917 1.718 1.00 0.28 H new ATOM 0 HA3 GLY A 54 -1.733 17.370 2.696 1.00 0.28 H new ATOM 806 N GLU A 55 1.244 16.504 2.061 1.00 0.23 N ATOM 807 CA GLU A 55 2.502 16.844 1.402 1.00 0.23 C ATOM 808 C GLU A 55 2.497 16.327 -0.033 1.00 0.20 C ATOM 809 O GLU A 55 2.834 17.056 -0.969 1.00 0.24 O ATOM 810 CB GLU A 55 3.683 16.264 2.183 1.00 0.24 C ATOM 811 CG GLU A 55 3.807 16.833 3.589 1.00 0.42 C ATOM 812 CD GLU A 55 4.851 16.129 4.433 1.00 0.46 C ATOM 813 OE1 GLU A 55 6.058 16.400 4.245 1.00 0.54 O ATOM 814 OE2 GLU A 55 4.473 15.282 5.270 1.00 0.65 O ATOM 0 H GLU A 55 1.346 15.892 2.871 1.00 0.23 H new ATOM 0 HA GLU A 55 2.608 17.929 1.378 1.00 0.23 H new ATOM 0 HB2 GLU A 55 3.574 15.181 2.244 1.00 0.24 H new ATOM 0 HB3 GLU A 55 4.605 16.461 1.635 1.00 0.24 H new ATOM 0 HG2 GLU A 55 4.057 17.892 3.524 1.00 0.42 H new ATOM 0 HG3 GLU A 55 2.840 16.764 4.088 1.00 0.42 H new ATOM 821 N VAL A 56 2.098 15.072 -0.197 1.00 0.17 N ATOM 822 CA VAL A 56 1.881 14.491 -1.517 1.00 0.15 C ATOM 823 C VAL A 56 0.597 13.683 -1.514 1.00 0.15 C ATOM 824 O VAL A 56 0.051 13.378 -0.454 1.00 0.19 O ATOM 825 CB VAL A 56 3.038 13.573 -1.987 1.00 0.15 C ATOM 826 CG1 VAL A 56 4.278 14.382 -2.319 1.00 0.18 C ATOM 827 CG2 VAL A 56 3.361 12.515 -0.950 1.00 0.15 C ATOM 0 H VAL A 56 1.916 14.431 0.576 1.00 0.17 H new ATOM 0 HA VAL A 56 1.825 15.328 -2.213 1.00 0.15 H new ATOM 0 HB VAL A 56 2.703 13.068 -2.893 1.00 0.15 H new ATOM 0 HG11 VAL A 56 5.073 13.712 -2.646 1.00 0.18 H new ATOM 0 HG12 VAL A 56 4.049 15.089 -3.116 1.00 0.18 H new ATOM 0 HG13 VAL A 56 4.604 14.928 -1.434 1.00 0.18 H new ATOM 0 HG21 VAL A 56 4.177 11.888 -1.311 1.00 0.15 H new ATOM 0 HG22 VAL A 56 3.659 12.997 -0.019 1.00 0.15 H new ATOM 0 HG23 VAL A 56 2.480 11.898 -0.773 1.00 0.15 H new ATOM 837 N SER A 57 0.111 13.349 -2.694 1.00 0.13 N ATOM 838 CA SER A 57 -1.067 12.514 -2.811 1.00 0.15 C ATOM 839 C SER A 57 -0.669 11.046 -2.768 1.00 0.15 C ATOM 840 O SER A 57 0.517 10.723 -2.903 1.00 0.18 O ATOM 841 CB SER A 57 -1.809 12.825 -4.112 1.00 0.22 C ATOM 842 OG SER A 57 -0.945 12.694 -5.228 1.00 0.97 O ATOM 0 H SER A 57 0.514 13.643 -3.584 1.00 0.13 H new ATOM 0 HA SER A 57 -1.733 12.723 -1.974 1.00 0.15 H new ATOM 0 HB2 SER A 57 -2.658 12.150 -4.222 1.00 0.22 H new ATOM 0 HB3 SER A 57 -2.210 13.838 -4.074 1.00 0.22 H new ATOM 0 HG SER A 57 -0.319 13.448 -5.248 1.00 0.97 H new ATOM 848 N PHE A 58 -1.637 10.164 -2.571 1.00 0.16 N ATOM 849 CA PHE A 58 -1.369 8.734 -2.592 1.00 0.16 C ATOM 850 C PHE A 58 -0.782 8.352 -3.948 1.00 0.18 C ATOM 851 O PHE A 58 0.156 7.557 -4.041 1.00 0.19 O ATOM 852 CB PHE A 58 -2.659 7.954 -2.331 1.00 0.18 C ATOM 853 CG PHE A 58 -2.441 6.629 -1.661 1.00 0.17 C ATOM 854 CD1 PHE A 58 -1.810 5.595 -2.327 1.00 0.18 C ATOM 855 CD2 PHE A 58 -2.873 6.420 -0.362 1.00 0.19 C ATOM 856 CE1 PHE A 58 -1.613 4.378 -1.710 1.00 0.20 C ATOM 857 CE2 PHE A 58 -2.678 5.205 0.260 1.00 0.21 C ATOM 858 CZ PHE A 58 -2.047 4.184 -0.414 1.00 0.22 C ATOM 0 H PHE A 58 -2.611 10.411 -2.396 1.00 0.16 H new ATOM 0 HA PHE A 58 -0.653 8.486 -1.808 1.00 0.16 H new ATOM 0 HB2 PHE A 58 -3.320 8.560 -1.711 1.00 0.18 H new ATOM 0 HB3 PHE A 58 -3.172 7.791 -3.279 1.00 0.18 H new ATOM 0 HD1 PHE A 58 -1.468 5.742 -3.341 1.00 0.18 H new ATOM 0 HD2 PHE A 58 -3.369 7.218 0.170 1.00 0.19 H new ATOM 0 HE1 PHE A 58 -1.119 3.577 -2.240 1.00 0.20 H new ATOM 0 HE2 PHE A 58 -3.019 5.055 1.274 1.00 0.21 H new ATOM 0 HZ PHE A 58 -1.892 3.232 0.071 1.00 0.22 H new ATOM 868 N GLU A 59 -1.332 8.975 -4.985 1.00 0.20 N ATOM 869 CA GLU A 59 -0.918 8.748 -6.367 1.00 0.22 C ATOM 870 C GLU A 59 0.584 8.956 -6.555 1.00 0.24 C ATOM 871 O GLU A 59 1.284 8.066 -7.041 1.00 0.31 O ATOM 872 CB GLU A 59 -1.685 9.698 -7.288 1.00 0.27 C ATOM 873 CG GLU A 59 -3.192 9.546 -7.199 1.00 0.36 C ATOM 874 CD GLU A 59 -3.940 10.593 -7.999 1.00 0.87 C ATOM 875 OE1 GLU A 59 -3.775 10.630 -9.239 1.00 0.96 O ATOM 876 OE2 GLU A 59 -4.690 11.385 -7.393 1.00 1.72 O ATOM 0 H GLU A 59 -2.084 9.658 -4.890 1.00 0.20 H new ATOM 0 HA GLU A 59 -1.143 7.711 -6.618 1.00 0.22 H new ATOM 0 HB2 GLU A 59 -1.417 10.725 -7.041 1.00 0.27 H new ATOM 0 HB3 GLU A 59 -1.371 9.525 -8.317 1.00 0.27 H new ATOM 0 HG2 GLU A 59 -3.473 8.555 -7.555 1.00 0.36 H new ATOM 0 HG3 GLU A 59 -3.497 9.608 -6.154 1.00 0.36 H new ATOM 883 N GLU A 60 1.066 10.133 -6.161 1.00 0.23 N ATOM 884 CA GLU A 60 2.467 10.505 -6.358 1.00 0.24 C ATOM 885 C GLU A 60 3.411 9.495 -5.719 1.00 0.23 C ATOM 886 O GLU A 60 4.405 9.092 -6.322 1.00 0.26 O ATOM 887 CB GLU A 60 2.730 11.895 -5.783 1.00 0.25 C ATOM 888 CG GLU A 60 1.974 12.993 -6.509 1.00 0.29 C ATOM 889 CD GLU A 60 1.979 14.302 -5.756 1.00 1.18 C ATOM 890 OE1 GLU A 60 2.960 15.064 -5.898 1.00 1.24 O ATOM 891 OE2 GLU A 60 1.016 14.573 -5.009 1.00 2.09 O ATOM 0 H GLU A 60 0.504 10.849 -5.701 1.00 0.23 H new ATOM 0 HA GLU A 60 2.658 10.513 -7.431 1.00 0.24 H new ATOM 0 HB2 GLU A 60 2.450 11.905 -4.730 1.00 0.25 H new ATOM 0 HB3 GLU A 60 3.798 12.105 -5.831 1.00 0.25 H new ATOM 0 HG2 GLU A 60 2.417 13.143 -7.493 1.00 0.29 H new ATOM 0 HG3 GLU A 60 0.944 12.675 -6.668 1.00 0.29 H new ATOM 898 N ALA A 61 3.096 9.081 -4.503 1.00 0.22 N ATOM 899 CA ALA A 61 3.930 8.125 -3.798 1.00 0.23 C ATOM 900 C ALA A 61 3.859 6.755 -4.458 1.00 0.22 C ATOM 901 O ALA A 61 4.883 6.119 -4.700 1.00 0.26 O ATOM 902 CB ALA A 61 3.519 8.033 -2.339 1.00 0.24 C ATOM 0 H ALA A 61 2.273 9.391 -3.986 1.00 0.22 H new ATOM 0 HA ALA A 61 4.961 8.474 -3.846 1.00 0.23 H new ATOM 0 HB1 ALA A 61 4.155 7.311 -1.827 1.00 0.24 H new ATOM 0 HB2 ALA A 61 3.627 9.010 -1.868 1.00 0.24 H new ATOM 0 HB3 ALA A 61 2.480 7.711 -2.273 1.00 0.24 H new ATOM 908 N ALA A 62 2.647 6.323 -4.777 1.00 0.20 N ATOM 909 CA ALA A 62 2.422 4.995 -5.330 1.00 0.20 C ATOM 910 C ALA A 62 3.140 4.803 -6.667 1.00 0.21 C ATOM 911 O ALA A 62 3.914 3.861 -6.823 1.00 0.24 O ATOM 912 CB ALA A 62 0.932 4.742 -5.483 1.00 0.20 C ATOM 0 H ALA A 62 1.799 6.878 -4.661 1.00 0.20 H new ATOM 0 HA ALA A 62 2.840 4.269 -4.633 1.00 0.20 H new ATOM 0 HB1 ALA A 62 0.773 3.746 -5.897 1.00 0.20 H new ATOM 0 HB2 ALA A 62 0.449 4.811 -4.508 1.00 0.20 H new ATOM 0 HB3 ALA A 62 0.503 5.487 -6.154 1.00 0.20 H new ATOM 918 N SER A 63 2.902 5.706 -7.609 1.00 0.21 N ATOM 919 CA SER A 63 3.460 5.605 -8.959 1.00 0.23 C ATOM 920 C SER A 63 4.984 5.431 -8.974 1.00 0.24 C ATOM 921 O SER A 63 5.549 4.952 -9.958 1.00 0.27 O ATOM 922 CB SER A 63 3.069 6.843 -9.762 1.00 0.26 C ATOM 923 OG SER A 63 1.659 6.965 -9.833 1.00 1.00 O ATOM 0 H SER A 63 2.318 6.530 -7.463 1.00 0.21 H new ATOM 0 HA SER A 63 3.042 4.706 -9.412 1.00 0.23 H new ATOM 0 HB2 SER A 63 3.494 7.733 -9.298 1.00 0.26 H new ATOM 0 HB3 SER A 63 3.485 6.778 -10.767 1.00 0.26 H new ATOM 0 HG SER A 63 1.278 6.143 -10.205 1.00 1.00 H new ATOM 929 N GLN A 64 5.650 5.816 -7.896 1.00 0.24 N ATOM 930 CA GLN A 64 7.097 5.689 -7.820 1.00 0.27 C ATOM 931 C GLN A 64 7.487 4.537 -6.918 1.00 0.26 C ATOM 932 O GLN A 64 8.354 3.732 -7.246 1.00 0.29 O ATOM 933 CB GLN A 64 7.705 6.969 -7.260 1.00 0.31 C ATOM 934 CG GLN A 64 7.180 8.221 -7.924 1.00 0.35 C ATOM 935 CD GLN A 64 7.721 9.488 -7.293 1.00 0.42 C ATOM 936 OE1 GLN A 64 8.785 9.979 -7.669 1.00 0.61 O ATOM 937 NE2 GLN A 64 6.978 10.040 -6.351 1.00 0.35 N ATOM 0 H GLN A 64 5.214 6.217 -7.066 1.00 0.24 H new ATOM 0 HA GLN A 64 7.471 5.505 -8.827 1.00 0.27 H new ATOM 0 HB2 GLN A 64 7.503 7.021 -6.190 1.00 0.31 H new ATOM 0 HB3 GLN A 64 8.788 6.930 -7.378 1.00 0.31 H new ATOM 0 HG2 GLN A 64 7.445 8.205 -8.981 1.00 0.35 H new ATOM 0 HG3 GLN A 64 6.091 8.228 -7.868 1.00 0.35 H new ATOM 0 HE21 GLN A 64 6.102 9.600 -6.069 1.00 0.35 H new ATOM 0 HE22 GLN A 64 7.280 10.907 -5.906 1.00 0.35 H new ATOM 946 N ARG A 65 6.841 4.488 -5.773 1.00 0.26 N ATOM 947 CA ARG A 65 7.251 3.602 -4.696 1.00 0.28 C ATOM 948 C ARG A 65 6.522 2.256 -4.697 1.00 0.27 C ATOM 949 O ARG A 65 7.150 1.220 -4.479 1.00 0.32 O ATOM 950 CB ARG A 65 7.035 4.319 -3.370 1.00 0.33 C ATOM 951 CG ARG A 65 7.705 5.684 -3.319 1.00 0.37 C ATOM 952 CD ARG A 65 9.203 5.576 -3.569 1.00 0.43 C ATOM 953 NE ARG A 65 9.932 6.793 -3.215 1.00 0.58 N ATOM 954 CZ ARG A 65 10.718 7.477 -4.049 1.00 0.66 C ATOM 955 NH1 ARG A 65 10.831 7.113 -5.320 1.00 0.59 N ATOM 956 NH2 ARG A 65 11.401 8.527 -3.612 1.00 0.86 N ATOM 0 H ARG A 65 6.021 5.056 -5.559 1.00 0.26 H new ATOM 0 HA ARG A 65 8.305 3.367 -4.847 1.00 0.28 H new ATOM 0 HB2 ARG A 65 5.965 4.438 -3.197 1.00 0.33 H new ATOM 0 HB3 ARG A 65 7.422 3.700 -2.561 1.00 0.33 H new ATOM 0 HG2 ARG A 65 7.256 6.340 -4.065 1.00 0.37 H new ATOM 0 HG3 ARG A 65 7.529 6.142 -2.345 1.00 0.37 H new ATOM 0 HD2 ARG A 65 9.602 4.740 -2.994 1.00 0.43 H new ATOM 0 HD3 ARG A 65 9.374 5.350 -4.621 1.00 0.43 H new ATOM 0 HE ARG A 65 9.833 7.144 -2.263 1.00 0.58 H new ATOM 0 HH11 ARG A 65 10.315 6.305 -5.667 1.00 0.59 H new ATOM 0 HH12 ARG A 65 11.434 7.642 -5.950 1.00 0.59 H new ATOM 0 HH21 ARG A 65 11.326 8.814 -2.636 1.00 0.86 H new ATOM 0 HH22 ARG A 65 12.001 9.048 -4.252 1.00 0.86 H new ATOM 970 N SER A 66 5.211 2.263 -4.924 1.00 0.25 N ATOM 971 CA SER A 66 4.424 1.031 -4.820 1.00 0.25 C ATOM 972 C SER A 66 4.847 0.008 -5.872 1.00 0.23 C ATOM 973 O SER A 66 4.807 0.279 -7.071 1.00 0.24 O ATOM 974 CB SER A 66 2.916 1.306 -4.933 1.00 0.24 C ATOM 975 OG SER A 66 2.540 1.697 -6.238 1.00 0.82 O ATOM 0 H SER A 66 4.675 3.093 -5.178 1.00 0.25 H new ATOM 0 HA SER A 66 4.622 0.616 -3.832 1.00 0.25 H new ATOM 0 HB2 SER A 66 2.363 0.410 -4.651 1.00 0.24 H new ATOM 0 HB3 SER A 66 2.637 2.088 -4.227 1.00 0.24 H new ATOM 0 HG SER A 66 3.264 2.217 -6.645 1.00 0.82 H new ATOM 981 N ASP A 67 5.259 -1.163 -5.402 1.00 0.25 N ATOM 982 CA ASP A 67 5.668 -2.254 -6.280 1.00 0.28 C ATOM 983 C ASP A 67 4.469 -2.905 -6.961 1.00 0.31 C ATOM 984 O ASP A 67 4.606 -3.593 -7.970 1.00 0.48 O ATOM 985 CB ASP A 67 6.461 -3.296 -5.495 1.00 0.39 C ATOM 986 CG ASP A 67 6.784 -4.517 -6.330 1.00 1.59 C ATOM 987 OD1 ASP A 67 7.583 -4.393 -7.274 1.00 1.91 O ATOM 988 OD2 ASP A 67 6.230 -5.598 -6.045 1.00 2.28 O ATOM 0 H ASP A 67 5.319 -1.383 -4.408 1.00 0.25 H new ATOM 0 HA ASP A 67 6.304 -1.833 -7.059 1.00 0.28 H new ATOM 0 HB2 ASP A 67 7.387 -2.849 -5.134 1.00 0.39 H new ATOM 0 HB3 ASP A 67 5.890 -3.599 -4.617 1.00 0.39 H new ATOM 993 N CYS A 68 3.286 -2.668 -6.431 1.00 0.24 N ATOM 994 CA CYS A 68 2.091 -3.259 -6.999 1.00 0.26 C ATOM 995 C CYS A 68 1.693 -2.512 -8.258 1.00 0.27 C ATOM 996 O CYS A 68 2.026 -1.338 -8.436 1.00 0.38 O ATOM 997 CB CYS A 68 0.946 -3.232 -5.989 1.00 0.29 C ATOM 998 SG CYS A 68 -0.603 -3.946 -6.590 1.00 1.52 S ATOM 0 H CYS A 68 3.127 -2.076 -5.616 1.00 0.24 H new ATOM 0 HA CYS A 68 2.303 -4.298 -7.252 1.00 0.26 H new ATOM 0 HB2 CYS A 68 1.256 -3.770 -5.093 1.00 0.29 H new ATOM 0 HB3 CYS A 68 0.764 -2.199 -5.693 1.00 0.29 H new ATOM 0 HG CYS A 68 -1.574 -3.609 -5.794 1.00 1.52 H new ATOM 1004 N GLY A 69 0.965 -3.216 -9.117 1.00 0.26 N ATOM 1005 CA GLY A 69 0.613 -2.712 -10.435 1.00 0.25 C ATOM 1006 C GLY A 69 -0.168 -1.415 -10.400 1.00 0.22 C ATOM 1007 O GLY A 69 -0.315 -0.750 -11.426 1.00 0.25 O ATOM 0 H GLY A 69 0.604 -4.149 -8.918 1.00 0.26 H new ATOM 0 HA2 GLY A 69 1.525 -2.562 -11.013 1.00 0.25 H new ATOM 0 HA3 GLY A 69 0.025 -3.466 -10.958 1.00 0.25 H new ATOM 1011 N SER A 70 -0.648 -1.043 -9.221 1.00 0.21 N ATOM 1012 CA SER A 70 -1.410 0.178 -9.053 1.00 0.24 C ATOM 1013 C SER A 70 -0.518 1.415 -9.213 1.00 0.22 C ATOM 1014 O SER A 70 -1.020 2.542 -9.261 1.00 0.25 O ATOM 1015 CB SER A 70 -2.102 0.163 -7.688 1.00 0.31 C ATOM 1016 OG SER A 70 -1.167 -0.048 -6.639 1.00 0.32 O ATOM 0 H SER A 70 -0.519 -1.578 -8.362 1.00 0.21 H new ATOM 0 HA SER A 70 -2.170 0.231 -9.832 1.00 0.24 H new ATOM 0 HB2 SER A 70 -2.622 1.108 -7.531 1.00 0.31 H new ATOM 0 HB3 SER A 70 -2.857 -0.623 -7.669 1.00 0.31 H new ATOM 0 HG SER A 70 -1.636 -0.051 -5.779 1.00 0.32 H new ATOM 1022 N TYR A 71 0.802 1.203 -9.312 1.00 0.20 N ATOM 1023 CA TYR A 71 1.747 2.295 -9.560 1.00 0.20 C ATOM 1024 C TYR A 71 1.365 3.045 -10.840 1.00 0.22 C ATOM 1025 O TYR A 71 1.590 4.245 -10.957 1.00 0.29 O ATOM 1026 CB TYR A 71 3.200 1.767 -9.685 1.00 0.21 C ATOM 1027 CG TYR A 71 3.480 0.995 -10.960 1.00 0.25 C ATOM 1028 CD1 TYR A 71 3.164 -0.353 -11.069 1.00 0.27 C ATOM 1029 CD2 TYR A 71 4.063 1.619 -12.056 1.00 0.35 C ATOM 1030 CE1 TYR A 71 3.417 -1.055 -12.232 1.00 0.36 C ATOM 1031 CE2 TYR A 71 4.320 0.924 -13.221 1.00 0.44 C ATOM 1032 CZ TYR A 71 3.995 -0.412 -13.304 1.00 0.43 C ATOM 1033 OH TYR A 71 4.248 -1.108 -14.466 1.00 0.54 O ATOM 0 H TYR A 71 1.237 0.285 -9.224 1.00 0.20 H new ATOM 0 HA TYR A 71 1.699 2.974 -8.709 1.00 0.20 H new ATOM 0 HB2 TYR A 71 3.886 2.612 -9.628 1.00 0.21 H new ATOM 0 HB3 TYR A 71 3.414 1.124 -8.831 1.00 0.21 H new ATOM 0 HD1 TYR A 71 2.713 -0.862 -10.230 1.00 0.27 H new ATOM 0 HD2 TYR A 71 4.320 2.666 -11.996 1.00 0.35 H new ATOM 0 HE1 TYR A 71 3.163 -2.102 -12.300 1.00 0.36 H new ATOM 0 HE2 TYR A 71 4.774 1.425 -14.063 1.00 0.44 H new ATOM 0 HH TYR A 71 4.657 -0.508 -15.124 1.00 0.54 H new ATOM 1043 N ALA A 72 0.749 2.333 -11.781 1.00 0.24 N ATOM 1044 CA ALA A 72 0.451 2.899 -13.088 1.00 0.30 C ATOM 1045 C ALA A 72 -0.923 3.558 -13.116 1.00 0.36 C ATOM 1046 O ALA A 72 -1.370 4.035 -14.160 1.00 0.49 O ATOM 1047 CB ALA A 72 0.542 1.820 -14.155 1.00 0.38 C ATOM 0 H ALA A 72 0.448 1.366 -11.660 1.00 0.24 H new ATOM 0 HA ALA A 72 1.190 3.673 -13.295 1.00 0.30 H new ATOM 0 HB1 ALA A 72 0.317 2.253 -15.130 1.00 0.38 H new ATOM 0 HB2 ALA A 72 1.549 1.403 -14.166 1.00 0.38 H new ATOM 0 HB3 ALA A 72 -0.175 1.029 -13.935 1.00 0.38 H new ATOM 1053 N SER A 73 -1.597 3.574 -11.976 1.00 0.32 N ATOM 1054 CA SER A 73 -2.922 4.174 -11.888 1.00 0.44 C ATOM 1055 C SER A 73 -2.985 5.228 -10.787 1.00 0.49 C ATOM 1056 O SER A 73 -3.913 6.034 -10.740 1.00 0.71 O ATOM 1057 CB SER A 73 -3.968 3.092 -11.642 1.00 0.47 C ATOM 1058 OG SER A 73 -3.907 2.094 -12.649 1.00 0.62 O ATOM 0 H SER A 73 -1.251 3.180 -11.101 1.00 0.32 H new ATOM 0 HA SER A 73 -3.132 4.670 -12.836 1.00 0.44 H new ATOM 0 HB2 SER A 73 -3.806 2.639 -10.664 1.00 0.47 H new ATOM 0 HB3 SER A 73 -4.962 3.538 -11.626 1.00 0.47 H new ATOM 0 HG SER A 73 -4.585 1.409 -12.472 1.00 0.62 H new ATOM 1064 N GLY A 74 -1.993 5.221 -9.907 1.00 0.41 N ATOM 1065 CA GLY A 74 -1.968 6.176 -8.820 1.00 0.54 C ATOM 1066 C GLY A 74 -2.288 5.541 -7.483 1.00 0.45 C ATOM 1067 O GLY A 74 -2.756 6.211 -6.564 1.00 0.49 O ATOM 0 H GLY A 74 -1.207 4.572 -9.927 1.00 0.41 H new ATOM 0 HA2 GLY A 74 -0.983 6.641 -8.771 1.00 0.54 H new ATOM 0 HA3 GLY A 74 -2.686 6.971 -9.022 1.00 0.54 H new ATOM 1071 N GLY A 75 -2.055 4.240 -7.380 1.00 0.35 N ATOM 1072 CA GLY A 75 -2.247 3.549 -6.120 1.00 0.32 C ATOM 1073 C GLY A 75 -3.639 2.974 -5.965 1.00 0.20 C ATOM 1074 O GLY A 75 -3.829 1.974 -5.268 1.00 0.21 O ATOM 0 H GLY A 75 -1.736 3.649 -8.148 1.00 0.35 H new ATOM 0 HA2 GLY A 75 -1.517 2.744 -6.039 1.00 0.32 H new ATOM 0 HA3 GLY A 75 -2.052 4.240 -5.300 1.00 0.32 H new ATOM 1078 N ASP A 76 -4.612 3.592 -6.620 1.00 0.35 N ATOM 1079 CA ASP A 76 -5.996 3.167 -6.490 1.00 0.39 C ATOM 1080 C ASP A 76 -6.280 1.960 -7.352 1.00 0.32 C ATOM 1081 O ASP A 76 -5.762 1.824 -8.464 1.00 0.36 O ATOM 1082 CB ASP A 76 -6.985 4.292 -6.816 1.00 0.63 C ATOM 1083 CG ASP A 76 -6.848 4.837 -8.219 1.00 0.77 C ATOM 1084 OD1 ASP A 76 -5.910 5.622 -8.466 1.00 1.65 O ATOM 1085 OD2 ASP A 76 -7.695 4.508 -9.078 1.00 0.80 O ATOM 0 H ASP A 76 -4.468 4.386 -7.244 1.00 0.35 H new ATOM 0 HA ASP A 76 -6.138 2.895 -5.444 1.00 0.39 H new ATOM 0 HB2 ASP A 76 -8.001 3.922 -6.678 1.00 0.63 H new ATOM 0 HB3 ASP A 76 -6.843 5.106 -6.105 1.00 0.63 H new ATOM 1090 N LEU A 77 -7.081 1.070 -6.807 1.00 0.32 N ATOM 1091 CA LEU A 77 -7.510 -0.117 -7.507 1.00 0.30 C ATOM 1092 C LEU A 77 -8.957 0.034 -7.923 1.00 0.32 C ATOM 1093 O LEU A 77 -9.599 1.027 -7.595 1.00 0.35 O ATOM 1094 CB LEU A 77 -7.340 -1.343 -6.615 1.00 0.32 C ATOM 1095 CG LEU A 77 -6.318 -2.374 -7.095 1.00 0.54 C ATOM 1096 CD1 LEU A 77 -5.037 -1.696 -7.565 1.00 0.94 C ATOM 1097 CD2 LEU A 77 -6.025 -3.373 -5.983 1.00 0.94 C ATOM 0 H LEU A 77 -7.454 1.152 -5.861 1.00 0.32 H new ATOM 0 HA LEU A 77 -6.896 -0.250 -8.398 1.00 0.30 H new ATOM 0 HB2 LEU A 77 -7.051 -1.008 -5.619 1.00 0.32 H new ATOM 0 HB3 LEU A 77 -8.307 -1.836 -6.517 1.00 0.32 H new ATOM 0 HG LEU A 77 -6.740 -2.910 -7.945 1.00 0.54 H new ATOM 0 HD11 LEU A 77 -4.327 -2.452 -7.901 1.00 0.94 H new ATOM 0 HD12 LEU A 77 -5.264 -1.020 -8.389 1.00 0.94 H new ATOM 0 HD13 LEU A 77 -4.602 -1.130 -6.741 1.00 0.94 H new ATOM 0 HD21 LEU A 77 -5.296 -4.104 -6.333 1.00 0.94 H new ATOM 0 HD22 LEU A 77 -5.624 -2.846 -5.117 1.00 0.94 H new ATOM 0 HD23 LEU A 77 -6.945 -3.885 -5.702 1.00 0.94 H new ATOM 1109 N GLY A 78 -9.455 -0.945 -8.644 1.00 0.37 N ATOM 1110 CA GLY A 78 -10.835 -0.925 -9.068 1.00 0.39 C ATOM 1111 C GLY A 78 -11.761 -1.458 -7.997 1.00 0.34 C ATOM 1112 O GLY A 78 -11.466 -1.362 -6.803 1.00 0.44 O ATOM 0 H GLY A 78 -8.926 -1.763 -8.948 1.00 0.37 H new ATOM 0 HA2 GLY A 78 -11.122 0.095 -9.322 1.00 0.39 H new ATOM 0 HA3 GLY A 78 -10.945 -1.522 -9.973 1.00 0.39 H new ATOM 1116 N PHE A 79 -12.866 -2.045 -8.418 1.00 0.47 N ATOM 1117 CA PHE A 79 -13.848 -2.567 -7.485 1.00 0.46 C ATOM 1118 C PHE A 79 -13.614 -4.051 -7.209 1.00 0.45 C ATOM 1119 O PHE A 79 -13.171 -4.800 -8.084 1.00 0.61 O ATOM 1120 CB PHE A 79 -15.271 -2.328 -8.008 1.00 0.61 C ATOM 1121 CG PHE A 79 -15.470 -2.716 -9.448 1.00 1.69 C ATOM 1122 CD1 PHE A 79 -15.866 -3.998 -9.790 1.00 2.78 C ATOM 1123 CD2 PHE A 79 -15.262 -1.792 -10.459 1.00 1.73 C ATOM 1124 CE1 PHE A 79 -16.048 -4.353 -11.112 1.00 3.87 C ATOM 1125 CE2 PHE A 79 -15.442 -2.139 -11.783 1.00 2.78 C ATOM 1126 CZ PHE A 79 -15.835 -3.422 -12.110 1.00 3.85 C ATOM 0 H PHE A 79 -13.106 -2.172 -9.401 1.00 0.47 H new ATOM 0 HA PHE A 79 -13.734 -2.031 -6.543 1.00 0.46 H new ATOM 0 HB2 PHE A 79 -15.972 -2.890 -7.391 1.00 0.61 H new ATOM 0 HB3 PHE A 79 -15.517 -1.273 -7.890 1.00 0.61 H new ATOM 0 HD1 PHE A 79 -16.035 -4.729 -9.013 1.00 2.78 H new ATOM 0 HD2 PHE A 79 -14.955 -0.787 -10.208 1.00 1.73 H new ATOM 0 HE1 PHE A 79 -16.356 -5.357 -11.365 1.00 3.87 H new ATOM 0 HE2 PHE A 79 -15.276 -1.409 -12.561 1.00 2.78 H new ATOM 0 HZ PHE A 79 -15.976 -3.697 -13.145 1.00 3.85 H new ATOM 1136 N PHE A 80 -13.902 -4.451 -5.983 1.00 0.40 N ATOM 1137 CA PHE A 80 -13.761 -5.833 -5.546 1.00 0.45 C ATOM 1138 C PHE A 80 -14.756 -6.084 -4.435 1.00 0.46 C ATOM 1139 O PHE A 80 -15.398 -5.149 -3.968 1.00 0.55 O ATOM 1140 CB PHE A 80 -12.337 -6.110 -5.034 1.00 0.45 C ATOM 1141 CG PHE A 80 -11.980 -5.408 -3.741 1.00 0.62 C ATOM 1142 CD1 PHE A 80 -11.963 -4.022 -3.659 1.00 1.01 C ATOM 1143 CD2 PHE A 80 -11.660 -6.139 -2.606 1.00 0.89 C ATOM 1144 CE1 PHE A 80 -11.633 -3.384 -2.475 1.00 1.28 C ATOM 1145 CE2 PHE A 80 -11.330 -5.505 -1.421 1.00 1.19 C ATOM 1146 CZ PHE A 80 -11.316 -4.125 -1.359 1.00 1.31 C ATOM 0 H PHE A 80 -14.243 -3.823 -5.255 1.00 0.40 H new ATOM 0 HA PHE A 80 -13.949 -6.496 -6.390 1.00 0.45 H new ATOM 0 HB2 PHE A 80 -12.219 -7.184 -4.892 1.00 0.45 H new ATOM 0 HB3 PHE A 80 -11.625 -5.810 -5.803 1.00 0.45 H new ATOM 0 HD1 PHE A 80 -12.210 -3.434 -4.530 1.00 1.01 H new ATOM 0 HD2 PHE A 80 -11.669 -7.218 -2.648 1.00 0.89 H new ATOM 0 HE1 PHE A 80 -11.624 -2.305 -2.427 1.00 1.28 H new ATOM 0 HE2 PHE A 80 -11.084 -6.088 -0.546 1.00 1.19 H new ATOM 0 HZ PHE A 80 -11.057 -3.628 -0.436 1.00 1.31 H new ATOM 1156 N SER A 81 -14.891 -7.322 -4.015 1.00 0.50 N ATOM 1157 CA SER A 81 -15.732 -7.618 -2.877 1.00 0.55 C ATOM 1158 C SER A 81 -14.854 -7.881 -1.663 1.00 0.52 C ATOM 1159 O SER A 81 -13.767 -8.453 -1.781 1.00 0.54 O ATOM 1160 CB SER A 81 -16.671 -8.794 -3.167 1.00 0.69 C ATOM 1161 OG SER A 81 -15.967 -9.992 -3.433 1.00 1.17 O ATOM 0 H SER A 81 -14.436 -8.131 -4.438 1.00 0.50 H new ATOM 0 HA SER A 81 -16.370 -6.759 -2.669 1.00 0.55 H new ATOM 0 HB2 SER A 81 -17.333 -8.946 -2.314 1.00 0.69 H new ATOM 0 HB3 SER A 81 -17.303 -8.549 -4.021 1.00 0.69 H new ATOM 0 HG SER A 81 -15.470 -9.900 -4.272 1.00 1.17 H new ATOM 1167 N SER A 82 -15.314 -7.418 -0.510 1.00 0.59 N ATOM 1168 CA SER A 82 -14.535 -7.474 0.717 1.00 0.63 C ATOM 1169 C SER A 82 -14.021 -8.885 0.993 1.00 0.59 C ATOM 1170 O SER A 82 -14.798 -9.836 1.083 1.00 0.63 O ATOM 1171 CB SER A 82 -15.389 -6.984 1.883 1.00 0.77 C ATOM 1172 OG SER A 82 -16.025 -5.758 1.559 1.00 1.19 O ATOM 0 H SER A 82 -16.235 -6.994 -0.399 1.00 0.59 H new ATOM 0 HA SER A 82 -13.666 -6.827 0.601 1.00 0.63 H new ATOM 0 HB2 SER A 82 -16.140 -7.734 2.131 1.00 0.77 H new ATOM 0 HB3 SER A 82 -14.765 -6.853 2.767 1.00 0.77 H new ATOM 0 HG SER A 82 -16.569 -5.461 2.318 1.00 1.19 H new ATOM 1178 N GLY A 83 -12.707 -9.008 1.117 1.00 0.58 N ATOM 1179 CA GLY A 83 -12.104 -10.294 1.393 1.00 0.62 C ATOM 1180 C GLY A 83 -11.233 -10.795 0.259 1.00 0.64 C ATOM 1181 O GLY A 83 -10.457 -11.734 0.441 1.00 0.79 O ATOM 0 H GLY A 83 -12.046 -8.236 1.031 1.00 0.58 H new ATOM 0 HA2 GLY A 83 -11.504 -10.220 2.300 1.00 0.62 H new ATOM 0 HA3 GLY A 83 -12.890 -11.023 1.589 1.00 0.62 H new ATOM 1185 N GLU A 84 -11.333 -10.161 -0.904 1.00 0.58 N ATOM 1186 CA GLU A 84 -10.579 -10.600 -2.075 1.00 0.62 C ATOM 1187 C GLU A 84 -9.224 -9.909 -2.163 1.00 0.58 C ATOM 1188 O GLU A 84 -8.820 -9.444 -3.229 1.00 0.87 O ATOM 1189 CB GLU A 84 -11.368 -10.335 -3.350 1.00 0.73 C ATOM 1190 CG GLU A 84 -12.660 -11.116 -3.425 1.00 1.17 C ATOM 1191 CD GLU A 84 -13.392 -10.891 -4.726 1.00 1.26 C ATOM 1192 OE1 GLU A 84 -13.896 -9.770 -4.947 1.00 1.43 O ATOM 1193 OE2 GLU A 84 -13.478 -11.841 -5.531 1.00 1.55 O ATOM 0 H GLU A 84 -11.925 -9.346 -1.062 1.00 0.58 H new ATOM 0 HA GLU A 84 -10.411 -11.672 -1.967 1.00 0.62 H new ATOM 0 HB2 GLU A 84 -11.591 -9.270 -3.417 1.00 0.73 H new ATOM 0 HB3 GLU A 84 -10.749 -10.586 -4.211 1.00 0.73 H new ATOM 0 HG2 GLU A 84 -12.447 -12.179 -3.310 1.00 1.17 H new ATOM 0 HG3 GLU A 84 -13.304 -10.829 -2.594 1.00 1.17 H new ATOM 1200 N MET A 85 -8.523 -9.838 -1.045 1.00 0.47 N ATOM 1201 CA MET A 85 -7.206 -9.221 -1.016 1.00 0.44 C ATOM 1202 C MET A 85 -6.253 -10.052 -0.173 1.00 0.47 C ATOM 1203 O MET A 85 -5.853 -11.146 -0.562 1.00 0.73 O ATOM 1204 CB MET A 85 -7.278 -7.793 -0.464 1.00 0.39 C ATOM 1205 CG MET A 85 -8.022 -6.814 -1.353 1.00 0.37 C ATOM 1206 SD MET A 85 -7.188 -6.542 -2.930 1.00 0.39 S ATOM 1207 CE MET A 85 -8.314 -5.394 -3.716 1.00 0.39 C ATOM 0 H MET A 85 -8.842 -10.199 -0.146 1.00 0.47 H new ATOM 0 HA MET A 85 -6.834 -9.176 -2.040 1.00 0.44 H new ATOM 0 HB2 MET A 85 -7.762 -7.818 0.513 1.00 0.39 H new ATOM 0 HB3 MET A 85 -6.264 -7.425 -0.308 1.00 0.39 H new ATOM 0 HG2 MET A 85 -9.029 -7.189 -1.538 1.00 0.37 H new ATOM 0 HG3 MET A 85 -8.127 -5.862 -0.832 1.00 0.37 H new ATOM 0 HE1 MET A 85 -8.673 -5.820 -4.653 1.00 0.39 H new ATOM 0 HE2 MET A 85 -9.160 -5.205 -3.056 1.00 0.39 H new ATOM 0 HE3 MET A 85 -7.795 -4.457 -3.919 1.00 0.39 H new ATOM 1217 N MET A 86 -5.916 -9.531 0.994 1.00 0.33 N ATOM 1218 CA MET A 86 -5.083 -10.237 1.950 1.00 0.35 C ATOM 1219 C MET A 86 -5.630 -9.979 3.338 1.00 0.40 C ATOM 1220 O MET A 86 -6.221 -8.923 3.566 1.00 0.76 O ATOM 1221 CB MET A 86 -3.627 -9.765 1.867 1.00 0.33 C ATOM 1222 CG MET A 86 -2.974 -10.013 0.515 1.00 0.43 C ATOM 1223 SD MET A 86 -1.329 -9.284 0.388 1.00 1.16 S ATOM 1224 CE MET A 86 -0.830 -9.883 -1.226 1.00 1.39 C ATOM 0 H MET A 86 -6.213 -8.606 1.305 1.00 0.33 H new ATOM 0 HA MET A 86 -5.099 -11.303 1.725 1.00 0.35 H new ATOM 0 HB2 MET A 86 -3.588 -8.698 2.088 1.00 0.33 H new ATOM 0 HB3 MET A 86 -3.047 -10.272 2.638 1.00 0.33 H new ATOM 0 HG2 MET A 86 -2.905 -11.087 0.342 1.00 0.43 H new ATOM 0 HG3 MET A 86 -3.609 -9.604 -0.271 1.00 0.43 H new ATOM 0 HE1 MET A 86 0.171 -9.519 -1.456 1.00 1.39 H new ATOM 0 HE2 MET A 86 -0.828 -10.973 -1.225 1.00 1.39 H new ATOM 0 HE3 MET A 86 -1.529 -9.522 -1.980 1.00 1.39 H new ATOM 1234 N LYS A 87 -5.447 -10.920 4.249 1.00 0.32 N ATOM 1235 CA LYS A 87 -6.018 -10.815 5.590 1.00 0.32 C ATOM 1236 C LYS A 87 -5.713 -9.466 6.260 1.00 0.27 C ATOM 1237 O LYS A 87 -6.643 -8.770 6.673 1.00 0.27 O ATOM 1238 CB LYS A 87 -5.547 -11.975 6.472 1.00 0.37 C ATOM 1239 CG LYS A 87 -6.032 -11.871 7.908 1.00 0.97 C ATOM 1240 CD LYS A 87 -5.524 -13.015 8.764 1.00 1.46 C ATOM 1241 CE LYS A 87 -5.995 -12.870 10.200 1.00 2.00 C ATOM 1242 NZ LYS A 87 -5.585 -14.022 11.038 1.00 2.37 N ATOM 0 H LYS A 87 -4.906 -11.770 4.088 1.00 0.32 H new ATOM 0 HA LYS A 87 -7.100 -10.874 5.476 1.00 0.32 H new ATOM 0 HB2 LYS A 87 -5.898 -12.914 6.044 1.00 0.37 H new ATOM 0 HB3 LYS A 87 -4.458 -12.009 6.465 1.00 0.37 H new ATOM 0 HG2 LYS A 87 -5.701 -10.924 8.335 1.00 0.97 H new ATOM 0 HG3 LYS A 87 -7.122 -11.863 7.923 1.00 0.97 H new ATOM 0 HD2 LYS A 87 -5.875 -13.963 8.356 1.00 1.46 H new ATOM 0 HD3 LYS A 87 -4.435 -13.040 8.735 1.00 1.46 H new ATOM 0 HE2 LYS A 87 -5.589 -11.951 10.623 1.00 2.00 H new ATOM 0 HE3 LYS A 87 -7.081 -12.777 10.218 1.00 2.00 H new ATOM 0 HZ1 LYS A 87 -5.927 -13.883 12.010 1.00 2.37 H new ATOM 0 HZ2 LYS A 87 -5.993 -14.896 10.650 1.00 2.37 H new ATOM 0 HZ3 LYS A 87 -4.548 -14.096 11.043 1.00 2.37 H new ATOM 1256 N PRO A 88 -4.428 -9.047 6.362 1.00 0.26 N ATOM 1257 CA PRO A 88 -4.077 -7.807 7.060 1.00 0.25 C ATOM 1258 C PRO A 88 -4.400 -6.570 6.227 1.00 0.22 C ATOM 1259 O PRO A 88 -4.671 -5.493 6.759 1.00 0.25 O ATOM 1260 CB PRO A 88 -2.570 -7.942 7.267 1.00 0.27 C ATOM 1261 CG PRO A 88 -2.109 -8.761 6.114 1.00 0.27 C ATOM 1262 CD PRO A 88 -3.230 -9.715 5.801 1.00 0.27 C ATOM 0 HA PRO A 88 -4.637 -7.678 7.986 1.00 0.25 H new ATOM 0 HB2 PRO A 88 -2.082 -6.967 7.282 1.00 0.27 H new ATOM 0 HB3 PRO A 88 -2.341 -8.428 8.216 1.00 0.27 H new ATOM 0 HG2 PRO A 88 -1.883 -8.130 5.254 1.00 0.27 H new ATOM 0 HG3 PRO A 88 -1.195 -9.302 6.361 1.00 0.27 H new ATOM 0 HD2 PRO A 88 -3.329 -9.878 4.728 1.00 0.27 H new ATOM 0 HD3 PRO A 88 -3.065 -10.691 6.258 1.00 0.27 H new ATOM 1270 N PHE A 89 -4.380 -6.752 4.916 1.00 0.19 N ATOM 1271 CA PHE A 89 -4.651 -5.682 3.970 1.00 0.17 C ATOM 1272 C PHE A 89 -6.126 -5.304 4.030 1.00 0.18 C ATOM 1273 O PHE A 89 -6.476 -4.158 4.294 1.00 0.17 O ATOM 1274 CB PHE A 89 -4.267 -6.177 2.564 1.00 0.19 C ATOM 1275 CG PHE A 89 -4.498 -5.219 1.420 1.00 0.18 C ATOM 1276 CD1 PHE A 89 -5.767 -5.037 0.889 1.00 0.22 C ATOM 1277 CD2 PHE A 89 -3.437 -4.542 0.843 1.00 0.19 C ATOM 1278 CE1 PHE A 89 -5.973 -4.192 -0.187 1.00 0.22 C ATOM 1279 CE2 PHE A 89 -3.636 -3.705 -0.240 1.00 0.20 C ATOM 1280 CZ PHE A 89 -4.908 -3.528 -0.756 1.00 0.19 C ATOM 0 H PHE A 89 -4.175 -7.649 4.477 1.00 0.19 H new ATOM 0 HA PHE A 89 -4.068 -4.794 4.215 1.00 0.17 H new ATOM 0 HB2 PHE A 89 -3.211 -6.445 2.575 1.00 0.19 H new ATOM 0 HB3 PHE A 89 -4.826 -7.090 2.361 1.00 0.19 H new ATOM 0 HD1 PHE A 89 -6.606 -5.562 1.322 1.00 0.22 H new ATOM 0 HD2 PHE A 89 -2.442 -4.669 1.243 1.00 0.19 H new ATOM 0 HE1 PHE A 89 -6.969 -4.053 -0.581 1.00 0.22 H new ATOM 0 HE2 PHE A 89 -2.798 -3.189 -0.684 1.00 0.20 H new ATOM 0 HZ PHE A 89 -5.065 -2.873 -1.600 1.00 0.19 H new ATOM 1290 N GLU A 90 -6.977 -6.300 3.825 1.00 0.21 N ATOM 1291 CA GLU A 90 -8.420 -6.112 3.800 1.00 0.24 C ATOM 1292 C GLU A 90 -8.922 -5.703 5.178 1.00 0.25 C ATOM 1293 O GLU A 90 -9.849 -4.902 5.302 1.00 0.27 O ATOM 1294 CB GLU A 90 -9.085 -7.408 3.337 1.00 0.29 C ATOM 1295 CG GLU A 90 -10.518 -7.252 2.853 1.00 0.34 C ATOM 1296 CD GLU A 90 -11.544 -7.542 3.930 1.00 1.41 C ATOM 1297 OE1 GLU A 90 -11.599 -8.687 4.414 1.00 2.12 O ATOM 1298 OE2 GLU A 90 -12.286 -6.609 4.310 1.00 1.78 O ATOM 0 H GLU A 90 -6.684 -7.265 3.671 1.00 0.21 H new ATOM 0 HA GLU A 90 -8.675 -5.314 3.103 1.00 0.24 H new ATOM 0 HB2 GLU A 90 -8.489 -7.838 2.532 1.00 0.29 H new ATOM 0 HB3 GLU A 90 -9.070 -8.122 4.161 1.00 0.29 H new ATOM 0 HG2 GLU A 90 -10.663 -6.236 2.486 1.00 0.34 H new ATOM 0 HG3 GLU A 90 -10.686 -7.922 2.010 1.00 0.34 H new ATOM 1305 N ASP A 91 -8.279 -6.245 6.209 1.00 0.25 N ATOM 1306 CA ASP A 91 -8.571 -5.871 7.593 1.00 0.29 C ATOM 1307 C ASP A 91 -8.453 -4.366 7.784 1.00 0.25 C ATOM 1308 O ASP A 91 -9.223 -3.764 8.528 1.00 0.30 O ATOM 1309 CB ASP A 91 -7.623 -6.587 8.557 1.00 0.35 C ATOM 1310 CG ASP A 91 -7.745 -6.090 9.987 1.00 0.48 C ATOM 1311 OD1 ASP A 91 -8.810 -6.302 10.602 1.00 0.61 O ATOM 1312 OD2 ASP A 91 -6.783 -5.476 10.500 1.00 0.54 O ATOM 0 H ASP A 91 -7.547 -6.949 6.112 1.00 0.25 H new ATOM 0 HA ASP A 91 -9.595 -6.174 7.810 1.00 0.29 H new ATOM 0 HB2 ASP A 91 -7.828 -7.657 8.531 1.00 0.35 H new ATOM 0 HB3 ASP A 91 -6.596 -6.451 8.217 1.00 0.35 H new ATOM 1317 N ALA A 92 -7.495 -3.762 7.096 1.00 0.20 N ATOM 1318 CA ALA A 92 -7.295 -2.327 7.181 1.00 0.19 C ATOM 1319 C ALA A 92 -8.282 -1.585 6.287 1.00 0.18 C ATOM 1320 O ALA A 92 -8.763 -0.516 6.646 1.00 0.21 O ATOM 1321 CB ALA A 92 -5.867 -1.971 6.810 1.00 0.22 C ATOM 0 H ALA A 92 -6.846 -4.244 6.474 1.00 0.20 H new ATOM 0 HA ALA A 92 -7.475 -2.017 8.210 1.00 0.19 H new ATOM 0 HB1 ALA A 92 -5.732 -0.892 6.878 1.00 0.22 H new ATOM 0 HB2 ALA A 92 -5.179 -2.467 7.494 1.00 0.22 H new ATOM 0 HB3 ALA A 92 -5.664 -2.298 5.790 1.00 0.22 H new ATOM 1327 N VAL A 93 -8.601 -2.172 5.137 1.00 0.18 N ATOM 1328 CA VAL A 93 -9.506 -1.545 4.174 1.00 0.19 C ATOM 1329 C VAL A 93 -10.889 -1.350 4.785 1.00 0.19 C ATOM 1330 O VAL A 93 -11.502 -0.292 4.654 1.00 0.20 O ATOM 1331 CB VAL A 93 -9.658 -2.383 2.886 1.00 0.21 C ATOM 1332 CG1 VAL A 93 -10.430 -1.609 1.834 1.00 0.25 C ATOM 1333 CG2 VAL A 93 -8.303 -2.813 2.343 1.00 0.21 C ATOM 0 H VAL A 93 -8.246 -3.083 4.847 1.00 0.18 H new ATOM 0 HA VAL A 93 -9.064 -0.582 3.917 1.00 0.19 H new ATOM 0 HB VAL A 93 -10.219 -3.283 3.138 1.00 0.21 H new ATOM 0 HG11 VAL A 93 -10.527 -2.216 0.934 1.00 0.25 H new ATOM 0 HG12 VAL A 93 -11.421 -1.366 2.216 1.00 0.25 H new ATOM 0 HG13 VAL A 93 -9.897 -0.689 1.595 1.00 0.25 H new ATOM 0 HG21 VAL A 93 -8.444 -3.401 1.436 1.00 0.21 H new ATOM 0 HG22 VAL A 93 -7.706 -1.930 2.114 1.00 0.21 H new ATOM 0 HG23 VAL A 93 -7.787 -3.416 3.090 1.00 0.21 H new ATOM 1343 N ARG A 94 -11.367 -2.380 5.464 1.00 0.23 N ATOM 1344 CA ARG A 94 -12.668 -2.334 6.116 1.00 0.27 C ATOM 1345 C ARG A 94 -12.609 -1.466 7.369 1.00 0.25 C ATOM 1346 O ARG A 94 -13.641 -1.102 7.936 1.00 0.32 O ATOM 1347 CB ARG A 94 -13.096 -3.746 6.504 1.00 0.41 C ATOM 1348 CG ARG A 94 -12.199 -4.350 7.569 1.00 0.59 C ATOM 1349 CD ARG A 94 -12.476 -5.820 7.787 1.00 1.03 C ATOM 1350 NE ARG A 94 -11.578 -6.382 8.793 1.00 0.98 N ATOM 1351 CZ ARG A 94 -11.478 -7.685 9.060 1.00 1.69 C ATOM 1352 NH1 ARG A 94 -12.259 -8.556 8.440 1.00 2.59 N ATOM 1353 NH2 ARG A 94 -10.596 -8.115 9.947 1.00 1.70 N ATOM 0 H ARG A 94 -10.871 -3.264 5.579 1.00 0.23 H new ATOM 0 HA ARG A 94 -13.389 -1.904 5.421 1.00 0.27 H new ATOM 0 HB2 ARG A 94 -14.123 -3.724 6.868 1.00 0.41 H new ATOM 0 HB3 ARG A 94 -13.084 -4.382 5.619 1.00 0.41 H new ATOM 0 HG2 ARG A 94 -11.156 -4.218 7.280 1.00 0.59 H new ATOM 0 HG3 ARG A 94 -12.340 -3.813 8.507 1.00 0.59 H new ATOM 0 HD2 ARG A 94 -13.510 -5.955 8.103 1.00 1.03 H new ATOM 0 HD3 ARG A 94 -12.357 -6.359 6.847 1.00 1.03 H new ATOM 0 HE ARG A 94 -10.991 -5.738 9.324 1.00 0.98 H new ATOM 0 HH11 ARG A 94 -12.941 -8.232 7.755 1.00 2.59 H new ATOM 0 HH12 ARG A 94 -12.178 -9.551 8.648 1.00 2.59 H new ATOM 0 HH21 ARG A 94 -9.991 -7.450 10.428 1.00 1.70 H new ATOM 0 HH22 ARG A 94 -10.521 -9.112 10.150 1.00 1.70 H new ATOM 1367 N ALA A 95 -11.396 -1.136 7.793 1.00 0.23 N ATOM 1368 CA ALA A 95 -11.195 -0.426 9.047 1.00 0.25 C ATOM 1369 C ALA A 95 -11.089 1.082 8.831 1.00 0.26 C ATOM 1370 O ALA A 95 -10.814 1.833 9.765 1.00 0.47 O ATOM 1371 CB ALA A 95 -9.963 -0.968 9.759 1.00 0.26 C ATOM 0 H ALA A 95 -10.537 -1.349 7.286 1.00 0.23 H new ATOM 0 HA ALA A 95 -12.067 -0.595 9.678 1.00 0.25 H new ATOM 0 HB1 ALA A 95 -9.819 -0.431 10.697 1.00 0.26 H new ATOM 0 HB2 ALA A 95 -10.100 -2.029 9.966 1.00 0.26 H new ATOM 0 HB3 ALA A 95 -9.087 -0.832 9.125 1.00 0.26 H new ATOM 1377 N LEU A 96 -11.317 1.519 7.601 1.00 0.19 N ATOM 1378 CA LEU A 96 -11.306 2.943 7.274 1.00 0.19 C ATOM 1379 C LEU A 96 -12.400 3.273 6.276 1.00 0.21 C ATOM 1380 O LEU A 96 -12.741 2.458 5.425 1.00 0.28 O ATOM 1381 CB LEU A 96 -9.943 3.364 6.716 1.00 0.28 C ATOM 1382 CG LEU A 96 -9.229 2.320 5.858 1.00 0.15 C ATOM 1383 CD1 LEU A 96 -9.761 2.326 4.440 1.00 0.27 C ATOM 1384 CD2 LEU A 96 -7.737 2.561 5.861 1.00 0.28 C ATOM 0 H LEU A 96 -11.513 0.908 6.808 1.00 0.19 H new ATOM 0 HA LEU A 96 -11.492 3.498 8.193 1.00 0.19 H new ATOM 0 HB2 LEU A 96 -10.078 4.267 6.120 1.00 0.28 H new ATOM 0 HB3 LEU A 96 -9.294 3.627 7.551 1.00 0.28 H new ATOM 0 HG LEU A 96 -9.425 1.339 6.290 1.00 0.15 H new ATOM 0 HD11 LEU A 96 -9.236 1.574 3.851 1.00 0.27 H new ATOM 0 HD12 LEU A 96 -10.827 2.099 4.450 1.00 0.27 H new ATOM 0 HD13 LEU A 96 -9.603 3.309 3.996 1.00 0.27 H new ATOM 0 HD21 LEU A 96 -7.246 1.808 5.245 1.00 0.28 H new ATOM 0 HD22 LEU A 96 -7.528 3.552 5.459 1.00 0.28 H new ATOM 0 HD23 LEU A 96 -7.360 2.497 6.882 1.00 0.28 H new ATOM 1396 N LYS A 97 -12.954 4.468 6.388 1.00 0.24 N ATOM 1397 CA LYS A 97 -13.997 4.916 5.481 1.00 0.31 C ATOM 1398 C LYS A 97 -13.358 5.595 4.269 1.00 0.28 C ATOM 1399 O LYS A 97 -12.153 5.832 4.260 1.00 0.25 O ATOM 1400 CB LYS A 97 -14.946 5.876 6.214 1.00 0.42 C ATOM 1401 CG LYS A 97 -16.192 6.265 5.429 1.00 0.62 C ATOM 1402 CD LYS A 97 -17.095 5.070 5.172 1.00 0.97 C ATOM 1403 CE LYS A 97 -18.335 5.474 4.393 1.00 1.02 C ATOM 1404 NZ LYS A 97 -19.282 4.341 4.219 1.00 1.61 N ATOM 0 H LYS A 97 -12.697 5.149 7.102 1.00 0.24 H new ATOM 0 HA LYS A 97 -14.579 4.062 5.134 1.00 0.31 H new ATOM 0 HB2 LYS A 97 -15.254 5.414 7.152 1.00 0.42 H new ATOM 0 HB3 LYS A 97 -14.397 6.782 6.470 1.00 0.42 H new ATOM 0 HG2 LYS A 97 -16.745 7.026 5.979 1.00 0.62 H new ATOM 0 HG3 LYS A 97 -15.898 6.709 4.478 1.00 0.62 H new ATOM 0 HD2 LYS A 97 -16.546 4.309 4.617 1.00 0.97 H new ATOM 0 HD3 LYS A 97 -17.389 4.622 6.121 1.00 0.97 H new ATOM 0 HE2 LYS A 97 -18.838 6.290 4.912 1.00 1.02 H new ATOM 0 HE3 LYS A 97 -18.040 5.853 3.414 1.00 1.02 H new ATOM 0 HZ1 LYS A 97 -20.113 4.662 3.682 1.00 1.61 H new ATOM 0 HZ2 LYS A 97 -18.811 3.572 3.701 1.00 1.61 H new ATOM 0 HZ3 LYS A 97 -19.585 3.995 5.152 1.00 1.61 H new ATOM 1418 N ILE A 98 -14.158 5.860 3.239 1.00 0.32 N ATOM 1419 CA ILE A 98 -13.697 6.587 2.057 1.00 0.32 C ATOM 1420 C ILE A 98 -12.882 7.821 2.437 1.00 0.32 C ATOM 1421 O ILE A 98 -13.388 8.748 3.067 1.00 0.37 O ATOM 1422 CB ILE A 98 -14.888 7.028 1.182 1.00 0.38 C ATOM 1423 CG1 ILE A 98 -15.717 5.809 0.771 1.00 0.41 C ATOM 1424 CG2 ILE A 98 -14.401 7.785 -0.047 1.00 0.50 C ATOM 1425 CD1 ILE A 98 -16.972 6.155 0.001 1.00 0.90 C ATOM 0 H ILE A 98 -15.138 5.579 3.199 1.00 0.32 H new ATOM 0 HA ILE A 98 -13.062 5.902 1.495 1.00 0.32 H new ATOM 0 HB ILE A 98 -15.519 7.699 1.764 1.00 0.38 H new ATOM 0 HG12 ILE A 98 -15.099 5.149 0.162 1.00 0.41 H new ATOM 0 HG13 ILE A 98 -15.993 5.251 1.666 1.00 0.41 H new ATOM 0 HG21 ILE A 98 -15.257 8.087 -0.651 1.00 0.50 H new ATOM 0 HG22 ILE A 98 -13.847 8.670 0.267 1.00 0.50 H new ATOM 0 HG23 ILE A 98 -13.750 7.140 -0.637 1.00 0.50 H new ATOM 0 HD11 ILE A 98 -17.506 5.240 -0.255 1.00 0.90 H new ATOM 0 HD12 ILE A 98 -17.612 6.789 0.615 1.00 0.90 H new ATOM 0 HD13 ILE A 98 -16.704 6.686 -0.912 1.00 0.90 H new ATOM 1437 N GLY A 99 -11.613 7.810 2.063 1.00 0.30 N ATOM 1438 CA GLY A 99 -10.749 8.945 2.322 1.00 0.32 C ATOM 1439 C GLY A 99 -9.861 8.759 3.539 1.00 0.32 C ATOM 1440 O GLY A 99 -9.019 9.610 3.830 1.00 0.46 O ATOM 0 H GLY A 99 -11.162 7.032 1.582 1.00 0.30 H new ATOM 0 HA2 GLY A 99 -10.123 9.123 1.448 1.00 0.32 H new ATOM 0 HA3 GLY A 99 -11.362 9.835 2.461 1.00 0.32 H new ATOM 1444 N ASP A 100 -10.042 7.657 4.257 1.00 0.21 N ATOM 1445 CA ASP A 100 -9.231 7.384 5.437 1.00 0.19 C ATOM 1446 C ASP A 100 -8.128 6.395 5.102 1.00 0.15 C ATOM 1447 O ASP A 100 -8.328 5.488 4.295 1.00 0.15 O ATOM 1448 CB ASP A 100 -10.092 6.854 6.585 1.00 0.22 C ATOM 1449 CG ASP A 100 -11.073 7.891 7.098 1.00 0.32 C ATOM 1450 OD1 ASP A 100 -10.639 9.010 7.450 1.00 0.46 O ATOM 1451 OD2 ASP A 100 -12.285 7.593 7.162 1.00 0.37 O ATOM 0 H ASP A 100 -10.738 6.942 4.045 1.00 0.21 H new ATOM 0 HA ASP A 100 -8.777 8.321 5.760 1.00 0.19 H new ATOM 0 HB2 ASP A 100 -10.640 5.974 6.248 1.00 0.22 H new ATOM 0 HB3 ASP A 100 -9.446 6.533 7.402 1.00 0.22 H new ATOM 1456 N ILE A 101 -6.970 6.577 5.723 1.00 0.18 N ATOM 1457 CA ILE A 101 -5.792 5.778 5.411 1.00 0.16 C ATOM 1458 C ILE A 101 -5.374 4.944 6.620 1.00 0.16 C ATOM 1459 O ILE A 101 -5.551 5.362 7.768 1.00 0.18 O ATOM 1460 CB ILE A 101 -4.604 6.672 4.997 1.00 0.19 C ATOM 1461 CG1 ILE A 101 -5.079 7.817 4.100 1.00 0.23 C ATOM 1462 CG2 ILE A 101 -3.544 5.846 4.279 1.00 0.19 C ATOM 1463 CD1 ILE A 101 -4.005 8.840 3.809 1.00 0.21 C ATOM 0 H ILE A 101 -6.821 7.276 6.451 1.00 0.18 H new ATOM 0 HA ILE A 101 -6.057 5.123 4.581 1.00 0.16 H new ATOM 0 HB ILE A 101 -4.165 7.098 5.899 1.00 0.19 H new ATOM 0 HG12 ILE A 101 -5.441 7.404 3.158 1.00 0.23 H new ATOM 0 HG13 ILE A 101 -5.924 8.314 4.576 1.00 0.23 H new ATOM 0 HG21 ILE A 101 -2.713 6.490 3.993 1.00 0.19 H new ATOM 0 HG22 ILE A 101 -3.183 5.061 4.943 1.00 0.19 H new ATOM 0 HG23 ILE A 101 -3.977 5.395 3.386 1.00 0.19 H new ATOM 0 HD11 ILE A 101 -4.412 9.622 3.168 1.00 0.21 H new ATOM 0 HD12 ILE A 101 -3.659 9.280 4.744 1.00 0.21 H new ATOM 0 HD13 ILE A 101 -3.169 8.356 3.305 1.00 0.21 H new ATOM 1475 N SER A 102 -4.820 3.773 6.354 1.00 0.16 N ATOM 1476 CA SER A 102 -4.385 2.864 7.401 1.00 0.19 C ATOM 1477 C SER A 102 -2.919 3.098 7.739 1.00 0.18 C ATOM 1478 O SER A 102 -2.158 3.612 6.915 1.00 0.22 O ATOM 1479 CB SER A 102 -4.577 1.419 6.933 1.00 0.25 C ATOM 1480 OG SER A 102 -3.769 1.136 5.802 1.00 0.92 O ATOM 0 H SER A 102 -4.659 3.426 5.408 1.00 0.16 H new ATOM 0 HA SER A 102 -4.983 3.047 8.294 1.00 0.19 H new ATOM 0 HB2 SER A 102 -4.326 0.735 7.743 1.00 0.25 H new ATOM 0 HB3 SER A 102 -5.625 1.250 6.686 1.00 0.25 H new ATOM 0 HG SER A 102 -3.267 0.308 5.957 1.00 0.92 H new ATOM 1486 N PRO A 103 -2.502 2.736 8.962 1.00 0.21 N ATOM 1487 CA PRO A 103 -1.090 2.748 9.342 1.00 0.23 C ATOM 1488 C PRO A 103 -0.319 1.621 8.657 1.00 0.20 C ATOM 1489 O PRO A 103 -0.922 0.766 8.001 1.00 0.27 O ATOM 1490 CB PRO A 103 -1.125 2.539 10.856 1.00 0.31 C ATOM 1491 CG PRO A 103 -2.398 1.807 11.108 1.00 0.34 C ATOM 1492 CD PRO A 103 -3.371 2.304 10.074 1.00 0.28 C ATOM 0 HA PRO A 103 -0.586 3.668 9.048 1.00 0.23 H new ATOM 0 HB2 PRO A 103 -0.264 1.964 11.196 1.00 0.31 H new ATOM 0 HB3 PRO A 103 -1.103 3.490 11.388 1.00 0.31 H new ATOM 0 HG2 PRO A 103 -2.253 0.730 11.022 1.00 0.34 H new ATOM 0 HG3 PRO A 103 -2.766 2.000 12.116 1.00 0.34 H new ATOM 0 HD2 PRO A 103 -4.061 1.520 9.763 1.00 0.28 H new ATOM 0 HD3 PRO A 103 -3.975 3.128 10.455 1.00 0.28 H new ATOM 1500 N ILE A 104 1.005 1.640 8.794 1.00 0.17 N ATOM 1501 CA ILE A 104 1.872 0.604 8.218 1.00 0.15 C ATOM 1502 C ILE A 104 1.359 -0.805 8.520 1.00 0.14 C ATOM 1503 O ILE A 104 1.357 -1.243 9.672 1.00 0.20 O ATOM 1504 CB ILE A 104 3.320 0.707 8.754 1.00 0.15 C ATOM 1505 CG1 ILE A 104 3.820 2.155 8.709 1.00 0.17 C ATOM 1506 CG2 ILE A 104 4.245 -0.204 7.955 1.00 0.15 C ATOM 1507 CD1 ILE A 104 3.751 2.783 7.336 1.00 0.17 C ATOM 0 H ILE A 104 1.508 2.367 9.303 1.00 0.17 H new ATOM 0 HA ILE A 104 1.861 0.776 7.142 1.00 0.15 H new ATOM 0 HB ILE A 104 3.323 0.382 9.795 1.00 0.15 H new ATOM 0 HG12 ILE A 104 3.230 2.755 9.402 1.00 0.17 H new ATOM 0 HG13 ILE A 104 4.852 2.184 9.060 1.00 0.17 H new ATOM 0 HG21 ILE A 104 5.260 -0.122 8.343 1.00 0.15 H new ATOM 0 HG22 ILE A 104 3.905 -1.236 8.044 1.00 0.15 H new ATOM 0 HG23 ILE A 104 4.232 0.093 6.906 1.00 0.15 H new ATOM 0 HD11 ILE A 104 4.122 3.807 7.385 1.00 0.17 H new ATOM 0 HD12 ILE A 104 4.364 2.208 6.642 1.00 0.17 H new ATOM 0 HD13 ILE A 104 2.718 2.788 6.989 1.00 0.17 H new ATOM 1519 N VAL A 105 0.924 -1.507 7.485 1.00 0.13 N ATOM 1520 CA VAL A 105 0.484 -2.888 7.618 1.00 0.15 C ATOM 1521 C VAL A 105 1.378 -3.811 6.788 1.00 0.15 C ATOM 1522 O VAL A 105 1.483 -3.665 5.568 1.00 0.17 O ATOM 1523 CB VAL A 105 -1.009 -3.057 7.211 1.00 0.21 C ATOM 1524 CG1 VAL A 105 -1.312 -2.339 5.909 1.00 1.04 C ATOM 1525 CG2 VAL A 105 -1.392 -4.525 7.094 1.00 1.04 C ATOM 0 H VAL A 105 0.866 -1.139 6.535 1.00 0.13 H new ATOM 0 HA VAL A 105 0.569 -3.166 8.669 1.00 0.15 H new ATOM 0 HB VAL A 105 -1.606 -2.606 8.003 1.00 0.21 H new ATOM 0 HG11 VAL A 105 -2.363 -2.477 5.653 1.00 1.04 H new ATOM 0 HG12 VAL A 105 -1.103 -1.275 6.023 1.00 1.04 H new ATOM 0 HG13 VAL A 105 -0.688 -2.748 5.114 1.00 1.04 H new ATOM 0 HG21 VAL A 105 -2.441 -4.606 6.808 1.00 1.04 H new ATOM 0 HG22 VAL A 105 -0.772 -5.004 6.336 1.00 1.04 H new ATOM 0 HG23 VAL A 105 -1.238 -5.019 8.054 1.00 1.04 H new ATOM 1535 N GLN A 106 2.049 -4.739 7.457 1.00 0.18 N ATOM 1536 CA GLN A 106 2.907 -5.692 6.773 1.00 0.20 C ATOM 1537 C GLN A 106 2.093 -6.886 6.288 1.00 0.23 C ATOM 1538 O GLN A 106 1.177 -7.355 6.970 1.00 0.29 O ATOM 1539 CB GLN A 106 4.039 -6.175 7.684 1.00 0.24 C ATOM 1540 CG GLN A 106 5.022 -5.086 8.087 1.00 0.25 C ATOM 1541 CD GLN A 106 6.266 -5.647 8.756 1.00 0.30 C ATOM 1542 OE1 GLN A 106 7.280 -5.958 7.958 1.00 0.55 O flip ATOM 1543 NE2 GLN A 106 6.317 -5.800 9.977 1.00 0.28 N flip ATOM 0 H GLN A 106 2.015 -4.851 8.470 1.00 0.18 H new ATOM 0 HA GLN A 106 3.349 -5.184 5.916 1.00 0.20 H new ATOM 0 HB2 GLN A 106 3.605 -6.609 8.585 1.00 0.24 H new ATOM 0 HB3 GLN A 106 4.584 -6.971 7.177 1.00 0.24 H new ATOM 0 HG2 GLN A 106 5.313 -4.518 7.203 1.00 0.25 H new ATOM 0 HG3 GLN A 106 4.530 -4.390 8.766 1.00 0.25 H new ATOM 0 HE21 GLN A 106 5.516 -5.549 10.556 1.00 0.28 H new ATOM 0 HE22 GLN A 106 7.160 -6.178 10.409 1.00 0.28 H new ATOM 1552 N THR A 107 2.437 -7.365 5.110 1.00 0.22 N ATOM 1553 CA THR A 107 1.740 -8.476 4.486 1.00 0.27 C ATOM 1554 C THR A 107 2.666 -9.672 4.334 1.00 0.34 C ATOM 1555 O THR A 107 3.792 -9.656 4.837 1.00 0.37 O ATOM 1556 CB THR A 107 1.194 -8.075 3.102 1.00 0.26 C ATOM 1557 OG1 THR A 107 2.183 -7.320 2.385 1.00 0.22 O ATOM 1558 CG2 THR A 107 -0.084 -7.261 3.236 1.00 0.27 C ATOM 0 H THR A 107 3.209 -6.995 4.555 1.00 0.22 H new ATOM 0 HA THR A 107 0.905 -8.747 5.132 1.00 0.27 H new ATOM 0 HB THR A 107 0.963 -8.985 2.548 1.00 0.26 H new ATOM 0 HG1 THR A 107 1.765 -6.527 1.989 1.00 0.22 H new ATOM 0 HG21 THR A 107 -0.449 -6.991 2.245 1.00 0.27 H new ATOM 0 HG22 THR A 107 -0.840 -7.853 3.752 1.00 0.27 H new ATOM 0 HG23 THR A 107 0.120 -6.355 3.807 1.00 0.27 H new ATOM 1566 N ASP A 108 2.195 -10.700 3.639 1.00 0.40 N ATOM 1567 CA ASP A 108 2.995 -11.894 3.392 1.00 0.49 C ATOM 1568 C ASP A 108 4.281 -11.529 2.665 1.00 0.45 C ATOM 1569 O ASP A 108 5.361 -12.017 3.005 1.00 0.53 O ATOM 1570 CB ASP A 108 2.204 -12.906 2.558 1.00 0.60 C ATOM 1571 CG ASP A 108 2.946 -14.216 2.376 1.00 1.37 C ATOM 1572 OD1 ASP A 108 2.802 -15.119 3.228 1.00 1.67 O ATOM 1573 OD2 ASP A 108 3.690 -14.344 1.382 1.00 2.16 O ATOM 0 H ASP A 108 1.259 -10.731 3.235 1.00 0.40 H new ATOM 0 HA ASP A 108 3.243 -12.343 4.354 1.00 0.49 H new ATOM 0 HB2 ASP A 108 1.246 -13.099 3.040 1.00 0.60 H new ATOM 0 HB3 ASP A 108 1.988 -12.476 1.580 1.00 0.60 H new ATOM 1578 N SER A 109 4.165 -10.648 1.680 1.00 0.39 N ATOM 1579 CA SER A 109 5.318 -10.251 0.897 1.00 0.43 C ATOM 1580 C SER A 109 5.996 -9.030 1.517 1.00 0.53 C ATOM 1581 O SER A 109 7.118 -9.134 1.991 1.00 1.09 O ATOM 1582 CB SER A 109 4.884 -9.958 -0.546 1.00 0.47 C ATOM 1583 OG SER A 109 5.993 -9.917 -1.432 1.00 0.60 O ATOM 0 H SER A 109 3.290 -10.200 1.409 1.00 0.39 H new ATOM 0 HA SER A 109 6.041 -11.067 0.890 1.00 0.43 H new ATOM 0 HB2 SER A 109 4.182 -10.724 -0.877 1.00 0.47 H new ATOM 0 HB3 SER A 109 4.356 -9.005 -0.580 1.00 0.47 H new ATOM 0 HG SER A 109 6.802 -10.201 -0.957 1.00 0.60 H new ATOM 1589 N GLY A 110 5.301 -7.903 1.614 1.00 0.22 N ATOM 1590 CA GLY A 110 5.972 -6.705 2.054 1.00 0.19 C ATOM 1591 C GLY A 110 5.091 -5.784 2.861 1.00 0.16 C ATOM 1592 O GLY A 110 4.366 -6.216 3.752 1.00 0.24 O ATOM 0 H GLY A 110 4.309 -7.801 1.401 1.00 0.22 H new ATOM 0 HA2 GLY A 110 6.839 -6.983 2.653 1.00 0.19 H new ATOM 0 HA3 GLY A 110 6.346 -6.167 1.183 1.00 0.19 H new ATOM 1596 N LEU A 111 5.139 -4.518 2.514 1.00 0.12 N ATOM 1597 CA LEU A 111 4.514 -3.465 3.304 1.00 0.11 C ATOM 1598 C LEU A 111 3.392 -2.790 2.538 1.00 0.11 C ATOM 1599 O LEU A 111 3.464 -2.645 1.319 1.00 0.13 O ATOM 1600 CB LEU A 111 5.558 -2.420 3.686 1.00 0.12 C ATOM 1601 CG LEU A 111 6.221 -2.599 5.049 1.00 0.14 C ATOM 1602 CD1 LEU A 111 6.841 -3.979 5.188 1.00 0.15 C ATOM 1603 CD2 LEU A 111 7.270 -1.525 5.241 1.00 0.19 C ATOM 0 H LEU A 111 5.612 -4.182 1.675 1.00 0.12 H new ATOM 0 HA LEU A 111 4.094 -3.923 4.200 1.00 0.11 H new ATOM 0 HB2 LEU A 111 6.337 -2.419 2.923 1.00 0.12 H new ATOM 0 HB3 LEU A 111 5.085 -1.438 3.661 1.00 0.12 H new ATOM 0 HG LEU A 111 5.458 -2.506 5.821 1.00 0.14 H new ATOM 0 HD11 LEU A 111 7.304 -4.072 6.170 1.00 0.15 H new ATOM 0 HD12 LEU A 111 6.067 -4.738 5.078 1.00 0.15 H new ATOM 0 HD13 LEU A 111 7.597 -4.118 4.415 1.00 0.15 H new ATOM 0 HD21 LEU A 111 7.745 -1.650 6.214 1.00 0.19 H new ATOM 0 HD22 LEU A 111 8.022 -1.607 4.456 1.00 0.19 H new ATOM 0 HD23 LEU A 111 6.799 -0.543 5.191 1.00 0.19 H new ATOM 1615 N HIS A 112 2.356 -2.378 3.255 1.00 0.11 N ATOM 1616 CA HIS A 112 1.233 -1.691 2.640 1.00 0.12 C ATOM 1617 C HIS A 112 0.687 -0.576 3.516 1.00 0.14 C ATOM 1618 O HIS A 112 0.824 -0.596 4.738 1.00 0.22 O ATOM 1619 CB HIS A 112 0.088 -2.661 2.351 1.00 0.14 C ATOM 1620 CG HIS A 112 0.317 -3.562 1.188 1.00 0.16 C ATOM 1621 ND1 HIS A 112 0.881 -4.785 1.118 1.00 0.19 N flip ATOM 1622 CD2 HIS A 112 -0.093 -3.254 -0.089 1.00 0.18 C flip ATOM 1623 CE1 HIS A 112 0.796 -5.197 -0.187 1.00 0.22 C flip ATOM 1624 NE2 HIS A 112 0.203 -4.257 -0.894 1.00 0.21 N flip ATOM 0 H HIS A 112 2.271 -2.508 4.263 1.00 0.11 H new ATOM 0 HA HIS A 112 1.617 -1.264 1.713 1.00 0.12 H new ATOM 0 HB2 HIS A 112 -0.086 -3.271 3.237 1.00 0.14 H new ATOM 0 HB3 HIS A 112 -0.822 -2.087 2.175 1.00 0.14 H new ATOM 0 HD2 HIS A 112 -0.580 -2.337 -0.385 1.00 0.18 H new ATOM 0 HE1 HIS A 112 1.157 -6.139 -0.573 1.00 0.22 H new ATOM 0 HE2 HIS A 112 0.006 -4.297 -1.894 1.00 0.21 H new ATOM 1633 N ILE A 113 0.112 0.412 2.856 1.00 0.12 N ATOM 1634 CA ILE A 113 -0.846 1.315 3.462 1.00 0.13 C ATOM 1635 C ILE A 113 -2.010 1.450 2.500 1.00 0.12 C ATOM 1636 O ILE A 113 -1.802 1.466 1.281 1.00 0.14 O ATOM 1637 CB ILE A 113 -0.264 2.708 3.756 1.00 0.14 C ATOM 1638 CG1 ILE A 113 0.544 3.201 2.556 1.00 0.15 C ATOM 1639 CG2 ILE A 113 0.591 2.670 5.013 1.00 0.15 C ATOM 1640 CD1 ILE A 113 0.541 4.697 2.386 1.00 0.17 C ATOM 0 H ILE A 113 0.300 0.611 1.873 1.00 0.12 H new ATOM 0 HA ILE A 113 -1.149 0.900 4.423 1.00 0.13 H new ATOM 0 HB ILE A 113 -1.083 3.407 3.928 1.00 0.14 H new ATOM 0 HG12 ILE A 113 1.574 2.860 2.660 1.00 0.15 H new ATOM 0 HG13 ILE A 113 0.146 2.742 1.651 1.00 0.15 H new ATOM 0 HG21 ILE A 113 0.996 3.663 5.208 1.00 0.15 H new ATOM 0 HG22 ILE A 113 -0.020 2.355 5.859 1.00 0.15 H new ATOM 0 HG23 ILE A 113 1.411 1.965 4.874 1.00 0.15 H new ATOM 0 HD11 ILE A 113 1.136 4.965 1.513 1.00 0.17 H new ATOM 0 HD12 ILE A 113 -0.483 5.045 2.248 1.00 0.17 H new ATOM 0 HD13 ILE A 113 0.967 5.165 3.273 1.00 0.17 H new ATOM 1652 N ILE A 114 -3.225 1.496 3.014 1.00 0.11 N ATOM 1653 CA ILE A 114 -4.391 1.535 2.153 1.00 0.11 C ATOM 1654 C ILE A 114 -5.335 2.650 2.578 1.00 0.11 C ATOM 1655 O ILE A 114 -5.402 3.000 3.753 1.00 0.12 O ATOM 1656 CB ILE A 114 -5.173 0.190 2.148 1.00 0.12 C ATOM 1657 CG1 ILE A 114 -4.231 -1.020 2.118 1.00 0.15 C ATOM 1658 CG2 ILE A 114 -6.107 0.134 0.950 1.00 0.12 C ATOM 1659 CD1 ILE A 114 -3.808 -1.503 3.489 1.00 0.18 C ATOM 0 H ILE A 114 -3.429 1.507 4.013 1.00 0.11 H new ATOM 0 HA ILE A 114 -4.021 1.719 1.144 1.00 0.11 H new ATOM 0 HB ILE A 114 -5.750 0.146 3.072 1.00 0.12 H new ATOM 0 HG12 ILE A 114 -4.723 -1.838 1.591 1.00 0.15 H new ATOM 0 HG13 ILE A 114 -3.341 -0.761 1.544 1.00 0.15 H new ATOM 0 HG21 ILE A 114 -6.650 -0.811 0.956 1.00 0.12 H new ATOM 0 HG22 ILE A 114 -6.816 0.960 1.003 1.00 0.12 H new ATOM 0 HG23 ILE A 114 -5.526 0.213 0.031 1.00 0.12 H new ATOM 0 HD11 ILE A 114 -3.143 -2.360 3.384 1.00 0.18 H new ATOM 0 HD12 ILE A 114 -3.286 -0.702 4.012 1.00 0.18 H new ATOM 0 HD13 ILE A 114 -4.689 -1.795 4.060 1.00 0.18 H new ATOM 1671 N LYS A 115 -6.033 3.221 1.611 1.00 0.13 N ATOM 1672 CA LYS A 115 -7.097 4.165 1.889 1.00 0.14 C ATOM 1673 C LYS A 115 -8.316 3.777 1.058 1.00 0.15 C ATOM 1674 O LYS A 115 -8.175 3.339 -0.087 1.00 0.16 O ATOM 1675 CB LYS A 115 -6.655 5.608 1.579 1.00 0.16 C ATOM 1676 CG LYS A 115 -6.823 6.026 0.126 1.00 0.22 C ATOM 1677 CD LYS A 115 -6.390 7.467 -0.093 1.00 0.24 C ATOM 1678 CE LYS A 115 -6.997 8.052 -1.357 1.00 0.35 C ATOM 1679 NZ LYS A 115 -6.605 9.472 -1.550 1.00 0.61 N ATOM 0 H LYS A 115 -5.878 3.044 0.619 1.00 0.13 H new ATOM 0 HA LYS A 115 -7.348 4.130 2.949 1.00 0.14 H new ATOM 0 HB2 LYS A 115 -7.226 6.291 2.208 1.00 0.16 H new ATOM 0 HB3 LYS A 115 -5.607 5.720 1.856 1.00 0.16 H new ATOM 0 HG2 LYS A 115 -6.235 5.367 -0.513 1.00 0.22 H new ATOM 0 HG3 LYS A 115 -7.866 5.910 -0.169 1.00 0.22 H new ATOM 0 HD2 LYS A 115 -6.686 8.070 0.765 1.00 0.24 H new ATOM 0 HD3 LYS A 115 -5.303 7.514 -0.156 1.00 0.24 H new ATOM 0 HE2 LYS A 115 -6.677 7.466 -2.219 1.00 0.35 H new ATOM 0 HE3 LYS A 115 -8.083 7.978 -1.307 1.00 0.35 H new ATOM 0 HZ1 LYS A 115 -7.038 9.836 -2.422 1.00 0.61 H new ATOM 0 HZ2 LYS A 115 -6.932 10.036 -0.739 1.00 0.61 H new ATOM 0 HZ3 LYS A 115 -5.570 9.539 -1.623 1.00 0.61 H new ATOM 1693 N ARG A 116 -9.505 3.901 1.626 1.00 0.15 N ATOM 1694 CA ARG A 116 -10.710 3.525 0.904 1.00 0.17 C ATOM 1695 C ARG A 116 -11.146 4.641 -0.038 1.00 0.19 C ATOM 1696 O ARG A 116 -11.138 5.817 0.321 1.00 0.22 O ATOM 1697 CB ARG A 116 -11.848 3.137 1.859 1.00 0.21 C ATOM 1698 CG ARG A 116 -13.213 3.140 1.189 1.00 0.28 C ATOM 1699 CD ARG A 116 -14.155 2.077 1.726 1.00 0.49 C ATOM 1700 NE ARG A 116 -14.191 1.984 3.182 1.00 0.79 N ATOM 1701 CZ ARG A 116 -15.181 1.388 3.853 1.00 0.88 C ATOM 1702 NH1 ARG A 116 -16.238 0.925 3.200 1.00 0.97 N ATOM 1703 NH2 ARG A 116 -15.117 1.264 5.172 1.00 1.87 N ATOM 0 H ARG A 116 -9.661 4.254 2.570 1.00 0.15 H new ATOM 0 HA ARG A 116 -10.473 2.644 0.307 1.00 0.17 H new ATOM 0 HB2 ARG A 116 -11.651 2.145 2.266 1.00 0.21 H new ATOM 0 HB3 ARG A 116 -11.861 3.830 2.700 1.00 0.21 H new ATOM 0 HG2 ARG A 116 -13.671 4.120 1.321 1.00 0.28 H new ATOM 0 HG3 ARG A 116 -13.083 2.991 0.117 1.00 0.28 H new ATOM 0 HD2 ARG A 116 -15.162 2.283 1.362 1.00 0.49 H new ATOM 0 HD3 ARG A 116 -13.861 1.109 1.319 1.00 0.49 H new ATOM 0 HE ARG A 116 -13.423 2.394 3.713 1.00 0.79 H new ATOM 0 HH11 ARG A 116 -16.295 1.024 2.186 1.00 0.97 H new ATOM 0 HH12 ARG A 116 -16.994 0.470 3.711 1.00 0.97 H new ATOM 0 HH21 ARG A 116 -14.309 1.625 5.680 1.00 1.87 H new ATOM 0 HH22 ARG A 116 -15.876 0.808 5.679 1.00 1.87 H new ATOM 1717 N LEU A 117 -11.506 4.249 -1.249 1.00 0.22 N ATOM 1718 CA LEU A 117 -11.925 5.183 -2.289 1.00 0.27 C ATOM 1719 C LEU A 117 -13.437 5.135 -2.474 1.00 0.29 C ATOM 1720 O LEU A 117 -14.062 6.136 -2.823 1.00 0.37 O ATOM 1721 CB LEU A 117 -11.240 4.836 -3.621 1.00 0.32 C ATOM 1722 CG LEU A 117 -9.848 5.440 -3.857 1.00 0.39 C ATOM 1723 CD1 LEU A 117 -9.950 6.921 -4.165 1.00 0.89 C ATOM 1724 CD2 LEU A 117 -8.943 5.220 -2.662 1.00 0.80 C ATOM 0 H LEU A 117 -11.517 3.272 -1.542 1.00 0.22 H new ATOM 0 HA LEU A 117 -11.635 6.187 -1.981 1.00 0.27 H new ATOM 0 HB2 LEU A 117 -11.156 3.751 -3.689 1.00 0.32 H new ATOM 0 HB3 LEU A 117 -11.892 5.157 -4.433 1.00 0.32 H new ATOM 0 HG LEU A 117 -9.411 4.931 -4.716 1.00 0.39 H new ATOM 0 HD11 LEU A 117 -8.952 7.328 -4.329 1.00 0.89 H new ATOM 0 HD12 LEU A 117 -10.552 7.065 -5.062 1.00 0.89 H new ATOM 0 HD13 LEU A 117 -10.419 7.436 -3.326 1.00 0.89 H new ATOM 0 HD21 LEU A 117 -7.965 5.659 -2.860 1.00 0.80 H new ATOM 0 HD22 LEU A 117 -9.381 5.692 -1.782 1.00 0.80 H new ATOM 0 HD23 LEU A 117 -8.831 4.151 -2.482 1.00 0.80 H new ATOM 1736 N ALA A 118 -14.016 3.963 -2.254 1.00 0.26 N ATOM 1737 CA ALA A 118 -15.453 3.778 -2.392 1.00 0.30 C ATOM 1738 C ALA A 118 -15.927 2.614 -1.535 1.00 0.30 C ATOM 1739 O ALA A 118 -15.622 1.457 -1.884 1.00 1.10 O ATOM 1740 CB ALA A 118 -15.829 3.554 -3.850 1.00 0.39 C ATOM 1741 OXT ALA A 118 -16.609 2.856 -0.520 1.00 1.09 O ATOM 0 H ALA A 118 -13.509 3.122 -1.978 1.00 0.26 H new ATOM 0 HA ALA A 118 -15.948 4.685 -2.046 1.00 0.30 H new ATOM 0 HB1 ALA A 118 -16.907 3.418 -3.931 1.00 0.39 H new ATOM 0 HB2 ALA A 118 -15.527 4.419 -4.441 1.00 0.39 H new ATOM 0 HB3 ALA A 118 -15.322 2.664 -4.224 1.00 0.39 H new