USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=31 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 25 SER OG : rot -154:sc= 0.428 USER MOD Set 1.2: A 28 THR OG1 : rot -79:sc= 1.23 USER MOD Set 2.1: A 16 LYS NZ :NH3+ -122:sc= 0.577 (180deg=-0.544) USER MOD Set 2.2: A 22 ASN : amide:sc= 0.719 K(o=1.6,f=-8.2!) USER MOD Set 2.3: A 109 SER OG : rot 24:sc= 0.286 USER MOD Set 3.1: A 12 HIS :FLIP no HE2:sc= -0.81 F(o=-4.2,f=-2.5) USER MOD Set 3.2: A 66 SER OG : rot -47:sc= 1.24 USER MOD Set 3.3: A 68 CYS SG : rot 95:sc= -1.79! USER MOD Set 3.4: A 70 SER OG : rot -111:sc= 1.49 USER MOD Set 3.5: A 107 THR OG1 : rot -132:sc= 1.09 USER MOD Set 3.6: A 112 HIS :FLIP no HD1:sc= -3.77! C(o=-6.1!,f=-2.5!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 127:sc= 0.592 USER MOD Single : A 20 SER OG : rot -81:sc= 0.863 USER MOD Single : A 31 SER OG : rot 74:sc= 1.21 USER MOD Single : A 32 THR OG1 : rot -159:sc= 0.278 USER MOD Single : A 36 THR OG1 : rot -84:sc= 1.52 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 134:sc= -0.04 (180deg=-0.386) USER MOD Single : A 45 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -164:sc= -0.0701 (180deg=-0.349) USER MOD Single : A 48 SER OG : rot -65:sc= 0.176 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot -176:sc= -0.816 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 51:sc= 1.08 USER MOD Single : A 64 GLN : amide:sc= 1.17 K(o=1.2,f=-0.058) 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 180:sc= 0.0131 USER MOD Single : A 82 SER OG : rot 180:sc= -0.209 USER MOD Single : A 85 MET CE :methyl -157:sc= -0.036 (180deg=-0.95) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -169:sc= -0.0265 (180deg=-0.222) USER MOD Single : A 97 LYS NZ :NH3+ -169:sc= -0.0156 (180deg=-0.167) USER MOD Single : A 102 SER OG : rot 130:sc= 0.975 USER MOD Single : A 106 GLN : amide:sc= -0.454 X(o=-0.45,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N LYS A 7 -19.366 -4.271 -2.486 1.00 0.57 N ATOM 47 CA LYS A 7 -18.473 -3.626 -3.433 1.00 0.51 C ATOM 48 C LYS A 7 -17.667 -2.531 -2.757 1.00 0.42 C ATOM 49 O LYS A 7 -18.206 -1.654 -2.081 1.00 0.60 O ATOM 50 CB LYS A 7 -19.250 -3.061 -4.614 1.00 0.64 C ATOM 51 CG LYS A 7 -18.644 -3.419 -5.964 1.00 0.92 C ATOM 52 CD LYS A 7 -18.536 -4.926 -6.142 1.00 0.87 C ATOM 53 CE LYS A 7 -18.068 -5.301 -7.537 1.00 1.10 C ATOM 54 NZ LYS A 7 -18.068 -6.774 -7.732 1.00 1.19 N ATOM 0 HA LYS A 7 -17.781 -4.381 -3.807 1.00 0.51 H new ATOM 0 HB2 LYS A 7 -20.275 -3.430 -4.575 1.00 0.64 H new ATOM 0 HB3 LYS A 7 -19.298 -1.976 -4.522 1.00 0.64 H new ATOM 0 HG2 LYS A 7 -19.257 -3.000 -6.762 1.00 0.92 H new ATOM 0 HG3 LYS A 7 -17.655 -2.969 -6.051 1.00 0.92 H new ATOM 0 HD2 LYS A 7 -17.841 -5.329 -5.406 1.00 0.87 H new ATOM 0 HD3 LYS A 7 -19.506 -5.384 -5.949 1.00 0.87 H new ATOM 0 HE2 LYS A 7 -18.717 -4.835 -8.278 1.00 1.10 H new ATOM 0 HE3 LYS A 7 -17.064 -4.911 -7.703 1.00 1.10 H new ATOM 0 HZ1 LYS A 7 -17.743 -6.997 -8.695 1.00 1.19 H new ATOM 0 HZ2 LYS A 7 -17.429 -7.216 -7.040 1.00 1.19 H new ATOM 0 HZ3 LYS A 7 -19.031 -7.142 -7.598 1.00 1.19 H new ATOM 68 N LEU A 8 -16.371 -2.613 -2.946 1.00 0.33 N ATOM 69 CA LEU A 8 -15.433 -1.691 -2.353 1.00 0.26 C ATOM 70 C LEU A 8 -14.407 -1.307 -3.415 1.00 0.22 C ATOM 71 O LEU A 8 -14.231 -2.024 -4.401 1.00 0.22 O ATOM 72 CB LEU A 8 -14.765 -2.373 -1.147 1.00 0.25 C ATOM 73 CG LEU A 8 -14.315 -1.463 0.010 1.00 0.33 C ATOM 74 CD1 LEU A 8 -14.078 -2.287 1.269 1.00 1.18 C ATOM 75 CD2 LEU A 8 -13.046 -0.710 -0.342 1.00 0.81 C ATOM 0 H LEU A 8 -15.934 -3.331 -3.523 1.00 0.33 H new ATOM 0 HA LEU A 8 -15.930 -0.787 -2.001 1.00 0.26 H new ATOM 0 HB2 LEU A 8 -15.461 -3.111 -0.747 1.00 0.25 H new ATOM 0 HB3 LEU A 8 -13.893 -2.919 -1.507 1.00 0.25 H new ATOM 0 HG LEU A 8 -15.111 -0.740 0.189 1.00 0.33 H new ATOM 0 HD11 LEU A 8 -13.760 -1.631 2.079 1.00 1.18 H new ATOM 0 HD12 LEU A 8 -15.001 -2.792 1.552 1.00 1.18 H new ATOM 0 HD13 LEU A 8 -13.303 -3.029 1.078 1.00 1.18 H new ATOM 0 HD21 LEU A 8 -12.755 -0.076 0.496 1.00 0.81 H new ATOM 0 HD22 LEU A 8 -12.248 -1.421 -0.554 1.00 0.81 H new ATOM 0 HD23 LEU A 8 -13.223 -0.090 -1.221 1.00 0.81 H new ATOM 87 N ARG A 9 -13.779 -0.170 -3.233 1.00 0.24 N ATOM 88 CA ARG A 9 -12.688 0.268 -4.086 1.00 0.23 C ATOM 89 C ARG A 9 -11.645 0.926 -3.207 1.00 0.20 C ATOM 90 O ARG A 9 -11.982 1.794 -2.408 1.00 0.21 O ATOM 91 CB ARG A 9 -13.179 1.258 -5.146 1.00 0.25 C ATOM 92 CG ARG A 9 -12.061 1.834 -6.002 1.00 0.26 C ATOM 93 CD ARG A 9 -12.579 2.870 -6.983 1.00 0.34 C ATOM 94 NE ARG A 9 -11.491 3.527 -7.711 1.00 0.49 N ATOM 95 CZ ARG A 9 -11.677 4.448 -8.656 1.00 0.81 C ATOM 96 NH1 ARG A 9 -12.901 4.880 -8.936 1.00 1.06 N ATOM 97 NH2 ARG A 9 -10.636 4.946 -9.313 1.00 0.98 N ATOM 0 H ARG A 9 -14.008 0.485 -2.486 1.00 0.24 H new ATOM 0 HA ARG A 9 -12.266 -0.590 -4.609 1.00 0.23 H new ATOM 0 HB2 ARG A 9 -13.900 0.758 -5.793 1.00 0.25 H new ATOM 0 HB3 ARG A 9 -13.706 2.075 -4.653 1.00 0.25 H new ATOM 0 HG2 ARG A 9 -11.307 2.288 -5.358 1.00 0.26 H new ATOM 0 HG3 ARG A 9 -11.570 1.029 -6.549 1.00 0.26 H new ATOM 0 HD2 ARG A 9 -13.254 2.392 -7.693 1.00 0.34 H new ATOM 0 HD3 ARG A 9 -13.160 3.619 -6.446 1.00 0.34 H new ATOM 0 HE ARG A 9 -10.533 3.264 -7.481 1.00 0.49 H new ATOM 0 HH11 ARG A 9 -13.702 4.507 -8.427 1.00 1.06 H new ATOM 0 HH12 ARG A 9 -13.040 5.585 -9.660 1.00 1.06 H new ATOM 0 HH21 ARG A 9 -9.693 4.624 -9.094 1.00 0.98 H new ATOM 0 HH22 ARG A 9 -10.779 5.651 -10.036 1.00 0.98 H new ATOM 111 N ALA A 10 -10.398 0.503 -3.310 1.00 0.20 N ATOM 112 CA ALA A 10 -9.369 1.051 -2.440 1.00 0.17 C ATOM 113 C ALA A 10 -8.046 1.263 -3.164 1.00 0.16 C ATOM 114 O ALA A 10 -7.778 0.651 -4.199 1.00 0.17 O ATOM 115 CB ALA A 10 -9.179 0.147 -1.234 1.00 0.22 C ATOM 0 H ALA A 10 -10.076 -0.203 -3.972 1.00 0.20 H new ATOM 0 HA ALA A 10 -9.707 2.033 -2.110 1.00 0.17 H new ATOM 0 HB1 ALA A 10 -8.407 0.562 -0.586 1.00 0.22 H new ATOM 0 HB2 ALA A 10 -10.116 0.075 -0.682 1.00 0.22 H new ATOM 0 HB3 ALA A 10 -8.877 -0.846 -1.567 1.00 0.22 H new ATOM 121 N ALA A 11 -7.233 2.149 -2.606 1.00 0.17 N ATOM 122 CA ALA A 11 -5.906 2.430 -3.128 1.00 0.18 C ATOM 123 C ALA A 11 -4.860 1.889 -2.175 1.00 0.17 C ATOM 124 O ALA A 11 -4.975 2.061 -0.965 1.00 0.19 O ATOM 125 CB ALA A 11 -5.712 3.925 -3.343 1.00 0.20 C ATOM 0 H ALA A 11 -7.476 2.693 -1.778 1.00 0.17 H new ATOM 0 HA ALA A 11 -5.797 1.938 -4.094 1.00 0.18 H new ATOM 0 HB1 ALA A 11 -4.711 4.110 -3.734 1.00 0.20 H new ATOM 0 HB2 ALA A 11 -6.453 4.289 -4.055 1.00 0.20 H new ATOM 0 HB3 ALA A 11 -5.833 4.448 -2.394 1.00 0.20 H new ATOM 131 N HIS A 12 -3.838 1.252 -2.719 1.00 0.16 N ATOM 132 CA HIS A 12 -2.864 0.565 -1.890 1.00 0.16 C ATOM 133 C HIS A 12 -1.447 0.832 -2.380 1.00 0.15 C ATOM 134 O HIS A 12 -1.191 0.864 -3.583 1.00 0.19 O ATOM 135 CB HIS A 12 -3.149 -0.948 -1.854 1.00 0.17 C ATOM 136 CG HIS A 12 -2.796 -1.708 -3.107 1.00 0.15 C ATOM 137 ND1 HIS A 12 -1.997 -2.788 -3.284 1.00 0.23 N flip ATOM 138 CD2 HIS A 12 -3.284 -1.396 -4.356 1.00 0.22 C flip ATOM 139 CE1 HIS A 12 -2.023 -3.109 -4.613 1.00 0.23 C flip ATOM 140 NE2 HIS A 12 -2.803 -2.254 -5.238 1.00 0.21 N flip ATOM 0 H HIS A 12 -3.662 1.196 -3.722 1.00 0.16 H new ATOM 0 HA HIS A 12 -2.951 0.955 -0.876 1.00 0.16 H new ATOM 0 HB2 HIS A 12 -2.599 -1.383 -1.020 1.00 0.17 H new ATOM 0 HB3 HIS A 12 -4.209 -1.095 -1.648 1.00 0.17 H new ATOM 0 HD1 HIS A 12 -1.471 -3.274 -2.557 1.00 0.23 H new ATOM 0 HD2 HIS A 12 -3.954 -0.579 -4.579 1.00 0.22 H new ATOM 0 HE1 HIS A 12 -1.491 -3.929 -5.073 1.00 0.23 H new ATOM 149 N LEU A 13 -0.539 1.029 -1.442 1.00 0.15 N ATOM 150 CA LEU A 13 0.868 1.210 -1.759 1.00 0.14 C ATOM 151 C LEU A 13 1.630 -0.011 -1.254 1.00 0.16 C ATOM 152 O LEU A 13 1.288 -0.564 -0.211 1.00 0.24 O ATOM 153 CB LEU A 13 1.385 2.514 -1.121 1.00 0.15 C ATOM 154 CG LEU A 13 2.719 3.062 -1.655 1.00 0.15 C ATOM 155 CD1 LEU A 13 2.852 4.539 -1.322 1.00 0.16 C ATOM 156 CD2 LEU A 13 3.906 2.302 -1.084 1.00 0.18 C ATOM 0 H LEU A 13 -0.752 1.068 -0.445 1.00 0.15 H new ATOM 0 HA LEU A 13 1.016 1.298 -2.835 1.00 0.14 H new ATOM 0 HB2 LEU A 13 0.624 3.283 -1.253 1.00 0.15 H new ATOM 0 HB3 LEU A 13 1.489 2.350 -0.048 1.00 0.15 H new ATOM 0 HG LEU A 13 2.718 2.929 -2.737 1.00 0.15 H new ATOM 0 HD11 LEU A 13 3.801 4.914 -1.706 1.00 0.16 H new ATOM 0 HD12 LEU A 13 2.031 5.091 -1.781 1.00 0.16 H new ATOM 0 HD13 LEU A 13 2.820 4.673 -0.241 1.00 0.16 H new ATOM 0 HD21 LEU A 13 4.831 2.718 -1.484 1.00 0.18 H new ATOM 0 HD22 LEU A 13 3.908 2.393 0.002 1.00 0.18 H new ATOM 0 HD23 LEU A 13 3.832 1.250 -1.360 1.00 0.18 H new ATOM 168 N LEU A 14 2.626 -0.446 -2.008 1.00 0.13 N ATOM 169 CA LEU A 14 3.378 -1.649 -1.673 1.00 0.14 C ATOM 170 C LEU A 14 4.871 -1.364 -1.691 1.00 0.16 C ATOM 171 O LEU A 14 5.365 -0.727 -2.613 1.00 0.27 O ATOM 172 CB LEU A 14 3.029 -2.770 -2.662 1.00 0.16 C ATOM 173 CG LEU A 14 3.950 -3.999 -2.666 1.00 0.20 C ATOM 174 CD1 LEU A 14 4.007 -4.661 -1.298 1.00 0.18 C ATOM 175 CD2 LEU A 14 3.478 -4.997 -3.711 1.00 0.27 C ATOM 0 H LEU A 14 2.936 0.018 -2.862 1.00 0.13 H new ATOM 0 HA LEU A 14 3.107 -1.970 -0.667 1.00 0.14 H new ATOM 0 HB2 LEU A 14 2.014 -3.106 -2.450 1.00 0.16 H new ATOM 0 HB3 LEU A 14 3.022 -2.347 -3.667 1.00 0.16 H new ATOM 0 HG LEU A 14 4.957 -3.663 -2.914 1.00 0.20 H new ATOM 0 HD11 LEU A 14 4.668 -5.527 -1.340 1.00 0.18 H new ATOM 0 HD12 LEU A 14 4.387 -3.949 -0.565 1.00 0.18 H new ATOM 0 HD13 LEU A 14 3.007 -4.982 -1.007 1.00 0.18 H new ATOM 0 HD21 LEU A 14 4.136 -5.866 -3.708 1.00 0.27 H new ATOM 0 HD22 LEU A 14 2.460 -5.312 -3.480 1.00 0.27 H new ATOM 0 HD23 LEU A 14 3.499 -4.530 -4.696 1.00 0.27 H new ATOM 187 N VAL A 15 5.566 -1.819 -0.660 1.00 0.13 N ATOM 188 CA VAL A 15 7.015 -1.695 -0.594 1.00 0.13 C ATOM 189 C VAL A 15 7.654 -3.079 -0.522 1.00 0.13 C ATOM 190 O VAL A 15 7.205 -3.945 0.240 1.00 0.15 O ATOM 191 CB VAL A 15 7.466 -0.861 0.630 1.00 0.13 C ATOM 192 CG1 VAL A 15 8.980 -0.698 0.652 1.00 0.13 C ATOM 193 CG2 VAL A 15 6.789 0.500 0.640 1.00 0.15 C ATOM 0 H VAL A 15 5.147 -2.280 0.148 1.00 0.13 H new ATOM 0 HA VAL A 15 7.340 -1.178 -1.497 1.00 0.13 H new ATOM 0 HB VAL A 15 7.166 -1.402 1.527 1.00 0.13 H new ATOM 0 HG11 VAL A 15 9.270 -0.108 1.522 1.00 0.13 H new ATOM 0 HG12 VAL A 15 9.451 -1.680 0.706 1.00 0.13 H new ATOM 0 HG13 VAL A 15 9.304 -0.189 -0.256 1.00 0.13 H new ATOM 0 HG21 VAL A 15 7.123 1.066 1.510 1.00 0.15 H new ATOM 0 HG22 VAL A 15 7.050 1.043 -0.268 1.00 0.15 H new ATOM 0 HG23 VAL A 15 5.708 0.368 0.686 1.00 0.15 H new ATOM 203 N LYS A 16 8.680 -3.282 -1.331 1.00 0.15 N ATOM 204 CA LYS A 16 9.447 -4.517 -1.330 1.00 0.17 C ATOM 205 C LYS A 16 10.772 -4.297 -0.621 1.00 0.16 C ATOM 206 O LYS A 16 11.257 -3.169 -0.523 1.00 0.24 O ATOM 207 CB LYS A 16 9.719 -4.987 -2.761 1.00 0.23 C ATOM 208 CG LYS A 16 8.474 -5.350 -3.547 1.00 0.26 C ATOM 209 CD LYS A 16 7.726 -6.500 -2.902 1.00 0.37 C ATOM 210 CE LYS A 16 6.610 -7.003 -3.801 1.00 0.48 C ATOM 211 NZ LYS A 16 7.122 -7.481 -5.112 1.00 0.62 N ATOM 0 H LYS A 16 9.006 -2.593 -2.009 1.00 0.15 H new ATOM 0 HA LYS A 16 8.867 -5.280 -0.810 1.00 0.17 H new ATOM 0 HB2 LYS A 16 10.254 -4.201 -3.293 1.00 0.23 H new ATOM 0 HB3 LYS A 16 10.378 -5.854 -2.727 1.00 0.23 H new ATOM 0 HG2 LYS A 16 7.819 -4.481 -3.615 1.00 0.26 H new ATOM 0 HG3 LYS A 16 8.752 -5.621 -4.566 1.00 0.26 H new ATOM 0 HD2 LYS A 16 8.419 -7.314 -2.688 1.00 0.37 H new ATOM 0 HD3 LYS A 16 7.310 -6.177 -1.948 1.00 0.37 H new ATOM 0 HE2 LYS A 16 6.080 -7.814 -3.301 1.00 0.48 H new ATOM 0 HE3 LYS A 16 5.888 -6.203 -3.964 1.00 0.48 H new ATOM 0 HZ1 LYS A 16 6.666 -6.946 -5.879 1.00 0.62 H new ATOM 0 HZ2 LYS A 16 8.151 -7.339 -5.155 1.00 0.62 H new ATOM 0 HZ3 LYS A 16 6.907 -8.493 -5.220 1.00 0.62 H new ATOM 225 N PHE A 17 11.367 -5.378 -0.153 1.00 0.17 N ATOM 226 CA PHE A 17 12.606 -5.306 0.600 1.00 0.17 C ATOM 227 C PHE A 17 13.314 -6.644 0.547 1.00 0.19 C ATOM 228 O PHE A 17 12.707 -7.646 0.185 1.00 0.21 O ATOM 229 CB PHE A 17 12.336 -4.897 2.052 1.00 0.17 C ATOM 230 CG PHE A 17 11.357 -5.777 2.792 1.00 0.17 C ATOM 231 CD1 PHE A 17 11.779 -6.938 3.423 1.00 0.19 C ATOM 232 CD2 PHE A 17 10.018 -5.426 2.875 1.00 0.20 C ATOM 233 CE1 PHE A 17 10.884 -7.732 4.118 1.00 0.23 C ATOM 234 CE2 PHE A 17 9.122 -6.212 3.574 1.00 0.23 C ATOM 235 CZ PHE A 17 9.554 -7.367 4.196 1.00 0.25 C ATOM 0 H PHE A 17 11.009 -6.324 -0.282 1.00 0.17 H new ATOM 0 HA PHE A 17 13.247 -4.547 0.151 1.00 0.17 H new ATOM 0 HB2 PHE A 17 13.281 -4.895 2.595 1.00 0.17 H new ATOM 0 HB3 PHE A 17 11.961 -3.874 2.062 1.00 0.17 H new ATOM 0 HD1 PHE A 17 12.819 -7.226 3.371 1.00 0.19 H new ATOM 0 HD2 PHE A 17 9.671 -4.527 2.387 1.00 0.20 H new ATOM 0 HE1 PHE A 17 11.225 -8.637 4.599 1.00 0.23 H new ATOM 0 HE2 PHE A 17 8.083 -5.923 3.634 1.00 0.23 H new ATOM 0 HZ PHE A 17 8.854 -7.983 4.742 1.00 0.25 H new ATOM 245 N SER A 18 14.604 -6.652 0.843 1.00 0.22 N ATOM 246 CA SER A 18 15.342 -7.881 0.968 1.00 0.26 C ATOM 247 C SER A 18 14.609 -8.838 1.909 1.00 0.30 C ATOM 248 O SER A 18 14.558 -8.615 3.122 1.00 0.30 O ATOM 249 CB SER A 18 16.725 -7.553 1.514 1.00 0.29 C ATOM 250 OG SER A 18 17.634 -8.580 1.218 1.00 1.04 O ATOM 0 H SER A 18 15.158 -5.810 1.001 1.00 0.22 H new ATOM 0 HA SER A 18 15.434 -8.367 -0.003 1.00 0.26 H new ATOM 0 HB2 SER A 18 17.077 -6.615 1.085 1.00 0.29 H new ATOM 0 HB3 SER A 18 16.670 -7.410 2.593 1.00 0.29 H new ATOM 0 HG SER A 18 18.422 -8.202 0.775 1.00 1.04 H new ATOM 256 N GLY A 19 14.036 -9.895 1.345 1.00 0.35 N ATOM 257 CA GLY A 19 13.269 -10.823 2.145 1.00 0.45 C ATOM 258 C GLY A 19 11.776 -10.753 1.867 1.00 0.42 C ATOM 259 O GLY A 19 10.986 -11.347 2.601 1.00 0.53 O ATOM 0 H GLY A 19 14.090 -10.123 0.352 1.00 0.35 H new ATOM 0 HA2 GLY A 19 13.622 -11.837 1.954 1.00 0.45 H new ATOM 0 HA3 GLY A 19 13.447 -10.617 3.201 1.00 0.45 H new ATOM 263 N SER A 20 11.368 -10.032 0.821 1.00 0.34 N ATOM 264 CA SER A 20 9.952 -9.858 0.530 1.00 0.41 C ATOM 265 C SER A 20 9.398 -11.017 -0.301 1.00 0.40 C ATOM 266 O SER A 20 8.381 -10.864 -0.986 1.00 0.45 O ATOM 267 CB SER A 20 9.723 -8.528 -0.199 1.00 0.51 C ATOM 268 OG SER A 20 10.531 -8.427 -1.362 1.00 0.70 O ATOM 0 H SER A 20 11.996 -9.564 0.168 1.00 0.34 H new ATOM 0 HA SER A 20 9.417 -9.846 1.480 1.00 0.41 H new ATOM 0 HB2 SER A 20 8.672 -8.440 -0.476 1.00 0.51 H new ATOM 0 HB3 SER A 20 9.946 -7.700 0.474 1.00 0.51 H new ATOM 0 HG SER A 20 11.434 -8.144 -1.109 1.00 0.70 H new ATOM 274 N ARG A 21 10.087 -12.163 -0.248 1.00 0.43 N ATOM 275 CA ARG A 21 9.720 -13.373 -0.998 1.00 0.49 C ATOM 276 C ARG A 21 10.018 -13.201 -2.486 1.00 0.51 C ATOM 277 O ARG A 21 10.404 -14.150 -3.170 1.00 0.60 O ATOM 278 CB ARG A 21 8.252 -13.754 -0.764 1.00 0.58 C ATOM 279 CG ARG A 21 7.965 -14.123 0.679 1.00 1.25 C ATOM 280 CD ARG A 21 6.543 -14.612 0.868 1.00 1.25 C ATOM 281 NE ARG A 21 6.231 -14.813 2.280 1.00 2.28 N ATOM 282 CZ ARG A 21 5.120 -15.392 2.727 1.00 2.47 C ATOM 283 NH1 ARG A 21 4.219 -15.864 1.874 1.00 1.89 N ATOM 284 NH2 ARG A 21 4.913 -15.501 4.031 1.00 3.49 N ATOM 0 H ARG A 21 10.924 -12.279 0.323 1.00 0.43 H new ATOM 0 HA ARG A 21 10.332 -14.195 -0.626 1.00 0.49 H new ATOM 0 HB2 ARG A 21 7.614 -12.920 -1.055 1.00 0.58 H new ATOM 0 HB3 ARG A 21 7.992 -14.594 -1.408 1.00 0.58 H new ATOM 0 HG2 ARG A 21 8.661 -14.898 1.000 1.00 1.25 H new ATOM 0 HG3 ARG A 21 8.138 -13.256 1.316 1.00 1.25 H new ATOM 0 HD2 ARG A 21 5.848 -13.889 0.440 1.00 1.25 H new ATOM 0 HD3 ARG A 21 6.404 -15.548 0.326 1.00 1.25 H new ATOM 0 HE ARG A 21 6.909 -14.488 2.969 1.00 2.28 H new ATOM 0 HH11 ARG A 21 4.377 -15.784 0.869 1.00 1.89 H new ATOM 0 HH12 ARG A 21 3.369 -16.307 2.223 1.00 1.89 H new ATOM 0 HH21 ARG A 21 5.605 -15.141 4.689 1.00 3.49 H new ATOM 0 HH22 ARG A 21 4.062 -15.944 4.377 1.00 3.49 H new ATOM 298 N ASN A 22 9.835 -11.986 -2.969 1.00 0.51 N ATOM 299 CA ASN A 22 10.287 -11.588 -4.286 1.00 0.62 C ATOM 300 C ASN A 22 10.693 -10.117 -4.237 1.00 0.58 C ATOM 301 O ASN A 22 9.851 -9.224 -4.111 1.00 0.64 O ATOM 302 CB ASN A 22 9.221 -11.859 -5.363 1.00 0.87 C ATOM 303 CG ASN A 22 7.900 -11.140 -5.138 1.00 0.93 C ATOM 304 OD1 ASN A 22 7.683 -10.040 -5.644 1.00 1.77 O ATOM 305 ND2 ASN A 22 7.003 -11.765 -4.391 1.00 0.80 N ATOM 0 H ASN A 22 9.364 -11.243 -2.453 1.00 0.51 H new ATOM 0 HA ASN A 22 11.152 -12.188 -4.569 1.00 0.62 H new ATOM 0 HB2 ASN A 22 9.620 -11.564 -6.333 1.00 0.87 H new ATOM 0 HB3 ASN A 22 9.033 -12.932 -5.408 1.00 0.87 H new ATOM 0 HD21 ASN A 22 6.094 -11.335 -4.218 1.00 0.80 H new ATOM 0 HD22 ASN A 22 7.221 -12.677 -3.989 1.00 0.80 H new ATOM 312 N PRO A 23 12.012 -9.867 -4.235 1.00 0.55 N ATOM 313 CA PRO A 23 12.586 -8.514 -4.158 1.00 0.61 C ATOM 314 C PRO A 23 12.281 -7.656 -5.395 1.00 0.79 C ATOM 315 O PRO A 23 11.332 -7.921 -6.133 1.00 1.71 O ATOM 316 CB PRO A 23 14.099 -8.768 -4.072 1.00 0.66 C ATOM 317 CG PRO A 23 14.235 -10.193 -3.668 1.00 0.73 C ATOM 318 CD PRO A 23 13.061 -10.896 -4.271 1.00 0.57 C ATOM 0 HA PRO A 23 12.170 -7.961 -3.316 1.00 0.61 H new ATOM 0 HB2 PRO A 23 14.584 -8.583 -5.030 1.00 0.66 H new ATOM 0 HB3 PRO A 23 14.568 -8.106 -3.344 1.00 0.66 H new ATOM 0 HG2 PRO A 23 15.173 -10.615 -4.030 1.00 0.73 H new ATOM 0 HG3 PRO A 23 14.237 -10.294 -2.583 1.00 0.73 H new ATOM 0 HD2 PRO A 23 13.267 -11.228 -5.289 1.00 0.57 H new ATOM 0 HD3 PRO A 23 12.781 -11.780 -3.698 1.00 0.57 H new ATOM 326 N VAL A 24 13.132 -6.648 -5.621 1.00 0.39 N ATOM 327 CA VAL A 24 12.961 -5.665 -6.700 1.00 0.36 C ATOM 328 C VAL A 24 11.710 -4.820 -6.482 1.00 0.32 C ATOM 329 O VAL A 24 10.591 -5.319 -6.534 1.00 0.35 O ATOM 330 CB VAL A 24 12.894 -6.314 -8.100 1.00 0.42 C ATOM 331 CG1 VAL A 24 12.791 -5.244 -9.185 1.00 0.43 C ATOM 332 CG2 VAL A 24 14.103 -7.205 -8.336 1.00 0.48 C ATOM 0 H VAL A 24 13.966 -6.490 -5.056 1.00 0.39 H new ATOM 0 HA VAL A 24 13.847 -5.031 -6.665 1.00 0.36 H new ATOM 0 HB VAL A 24 11.999 -6.934 -8.147 1.00 0.42 H new ATOM 0 HG11 VAL A 24 12.745 -5.722 -10.164 1.00 0.43 H new ATOM 0 HG12 VAL A 24 11.890 -4.652 -9.027 1.00 0.43 H new ATOM 0 HG13 VAL A 24 13.665 -4.594 -9.139 1.00 0.43 H new ATOM 0 HG21 VAL A 24 14.037 -7.653 -9.328 1.00 0.48 H new ATOM 0 HG22 VAL A 24 15.013 -6.609 -8.267 1.00 0.48 H new ATOM 0 HG23 VAL A 24 14.127 -7.993 -7.583 1.00 0.48 H new ATOM 342 N SER A 25 11.905 -3.541 -6.222 1.00 0.32 N ATOM 343 CA SER A 25 10.793 -2.637 -6.034 1.00 0.32 C ATOM 344 C SER A 25 10.598 -1.781 -7.284 1.00 0.32 C ATOM 345 O SER A 25 11.553 -1.533 -8.017 1.00 0.36 O ATOM 346 CB SER A 25 11.058 -1.769 -4.801 1.00 0.42 C ATOM 347 OG SER A 25 12.348 -1.184 -4.844 1.00 1.12 O ATOM 0 H SER A 25 12.824 -3.107 -6.137 1.00 0.32 H new ATOM 0 HA SER A 25 9.875 -3.202 -5.873 1.00 0.32 H new ATOM 0 HB2 SER A 25 10.304 -0.985 -4.738 1.00 0.42 H new ATOM 0 HB3 SER A 25 10.963 -2.376 -3.901 1.00 0.42 H new ATOM 0 HG SER A 25 12.653 -0.998 -3.932 1.00 1.12 H new ATOM 353 N ARG A 26 9.364 -1.338 -7.528 1.00 0.32 N ATOM 354 CA ARG A 26 9.081 -0.395 -8.606 1.00 0.34 C ATOM 355 C ARG A 26 9.717 0.940 -8.265 1.00 0.37 C ATOM 356 O ARG A 26 9.952 1.782 -9.132 1.00 0.44 O ATOM 357 CB ARG A 26 7.575 -0.202 -8.796 1.00 0.39 C ATOM 358 CG ARG A 26 6.836 -1.454 -9.236 1.00 0.52 C ATOM 359 CD ARG A 26 7.294 -1.932 -10.601 1.00 0.82 C ATOM 360 NE ARG A 26 6.590 -3.145 -11.011 1.00 1.21 N ATOM 361 CZ ARG A 26 6.744 -3.735 -12.195 1.00 1.88 C ATOM 362 NH1 ARG A 26 7.593 -3.241 -13.087 1.00 2.47 N ATOM 363 NH2 ARG A 26 6.052 -4.830 -12.484 1.00 2.54 N ATOM 0 H ARG A 26 8.544 -1.619 -6.991 1.00 0.32 H new ATOM 0 HA ARG A 26 9.492 -0.793 -9.534 1.00 0.34 H new ATOM 0 HB2 ARG A 26 7.144 0.150 -7.858 1.00 0.39 H new ATOM 0 HB3 ARG A 26 7.411 0.582 -9.536 1.00 0.39 H new ATOM 0 HG2 ARG A 26 6.994 -2.245 -8.503 1.00 0.52 H new ATOM 0 HG3 ARG A 26 5.765 -1.253 -9.262 1.00 0.52 H new ATOM 0 HD2 ARG A 26 7.125 -1.146 -11.338 1.00 0.82 H new ATOM 0 HD3 ARG A 26 8.367 -2.123 -10.579 1.00 0.82 H new ATOM 0 HE ARG A 26 5.939 -3.567 -10.348 1.00 1.21 H new ATOM 0 HH11 ARG A 26 8.133 -2.404 -12.868 1.00 2.47 H new ATOM 0 HH12 ARG A 26 7.706 -3.698 -13.992 1.00 2.47 H new ATOM 0 HH21 ARG A 26 5.403 -5.219 -11.800 1.00 2.54 H new ATOM 0 HH22 ARG A 26 6.169 -5.283 -13.390 1.00 2.54 H new ATOM 377 N ARG A 27 9.988 1.110 -6.979 1.00 0.36 N ATOM 378 CA ARG A 27 10.598 2.317 -6.462 1.00 0.44 C ATOM 379 C ARG A 27 12.066 2.399 -6.869 1.00 0.53 C ATOM 380 O ARG A 27 12.585 3.484 -7.137 1.00 0.73 O ATOM 381 CB ARG A 27 10.459 2.344 -4.938 1.00 0.52 C ATOM 382 CG ARG A 27 10.512 3.740 -4.352 1.00 0.55 C ATOM 383 CD ARG A 27 11.926 4.231 -4.113 1.00 0.70 C ATOM 384 NE ARG A 27 12.556 3.539 -2.995 1.00 0.91 N ATOM 385 CZ ARG A 27 13.865 3.318 -2.884 1.00 1.12 C ATOM 386 NH1 ARG A 27 14.704 3.745 -3.824 1.00 1.77 N ATOM 387 NH2 ARG A 27 14.333 2.685 -1.819 1.00 1.63 N ATOM 0 H ARG A 27 9.788 0.409 -6.265 1.00 0.36 H new ATOM 0 HA ARG A 27 10.087 3.182 -6.884 1.00 0.44 H new ATOM 0 HB2 ARG A 27 9.515 1.877 -4.659 1.00 0.52 H new ATOM 0 HB3 ARG A 27 11.255 1.743 -4.498 1.00 0.52 H new ATOM 0 HG2 ARG A 27 10.003 4.430 -5.025 1.00 0.55 H new ATOM 0 HG3 ARG A 27 9.965 3.753 -3.409 1.00 0.55 H new ATOM 0 HD2 ARG A 27 12.520 4.082 -5.015 1.00 0.70 H new ATOM 0 HD3 ARG A 27 11.910 5.303 -3.915 1.00 0.70 H new ATOM 0 HE ARG A 27 11.952 3.201 -2.246 1.00 0.91 H new ATOM 0 HH11 ARG A 27 14.346 4.246 -4.637 1.00 1.77 H new ATOM 0 HH12 ARG A 27 15.705 3.572 -3.731 1.00 1.77 H new ATOM 0 HH21 ARG A 27 13.692 2.370 -1.090 1.00 1.63 H new ATOM 0 HH22 ARG A 27 15.334 2.512 -1.727 1.00 1.63 H new ATOM 401 N THR A 28 12.738 1.257 -6.906 1.00 0.45 N ATOM 402 CA THR A 28 14.136 1.226 -7.309 1.00 0.53 C ATOM 403 C THR A 28 14.257 0.840 -8.772 1.00 0.55 C ATOM 404 O THR A 28 15.110 1.344 -9.502 1.00 0.67 O ATOM 405 CB THR A 28 14.936 0.210 -6.471 1.00 0.55 C ATOM 406 OG1 THR A 28 14.373 -1.099 -6.632 1.00 0.55 O ATOM 407 CG2 THR A 28 14.912 0.578 -5.002 1.00 0.53 C ATOM 0 H THR A 28 12.342 0.348 -6.664 1.00 0.45 H new ATOM 0 HA THR A 28 14.541 2.225 -7.149 1.00 0.53 H new ATOM 0 HB THR A 28 15.968 0.222 -6.820 1.00 0.55 H new ATOM 0 HG1 THR A 28 13.576 -1.184 -6.068 1.00 0.55 H new ATOM 0 HG21 THR A 28 15.484 -0.155 -4.434 1.00 0.53 H new ATOM 0 HG22 THR A 28 15.353 1.566 -4.867 1.00 0.53 H new ATOM 0 HG23 THR A 28 13.882 0.589 -4.646 1.00 0.53 H new ATOM 415 N GLY A 29 13.366 -0.050 -9.186 1.00 0.47 N ATOM 416 CA GLY A 29 13.351 -0.548 -10.546 1.00 0.52 C ATOM 417 C GLY A 29 14.488 -1.511 -10.828 1.00 0.58 C ATOM 418 O GLY A 29 14.540 -2.125 -11.891 1.00 0.82 O ATOM 0 H GLY A 29 12.638 -0.443 -8.589 1.00 0.47 H new ATOM 0 HA2 GLY A 29 12.401 -1.048 -10.735 1.00 0.52 H new ATOM 0 HA3 GLY A 29 13.412 0.293 -11.237 1.00 0.52 H new ATOM 422 N ASP A 30 15.390 -1.651 -9.869 1.00 0.53 N ATOM 423 CA ASP A 30 16.540 -2.525 -10.025 1.00 0.58 C ATOM 424 C ASP A 30 16.555 -3.578 -8.932 1.00 0.55 C ATOM 425 O ASP A 30 16.274 -4.750 -9.183 1.00 0.84 O ATOM 426 CB ASP A 30 17.842 -1.721 -9.994 1.00 0.67 C ATOM 427 CG ASP A 30 19.070 -2.602 -10.127 1.00 1.31 C ATOM 428 OD1 ASP A 30 19.405 -2.999 -11.265 1.00 1.69 O ATOM 429 OD2 ASP A 30 19.704 -2.907 -9.095 1.00 2.10 O ATOM 0 H ASP A 30 15.346 -1.168 -8.972 1.00 0.53 H new ATOM 0 HA ASP A 30 16.461 -3.020 -10.993 1.00 0.58 H new ATOM 0 HB2 ASP A 30 17.834 -0.990 -10.802 1.00 0.67 H new ATOM 0 HB3 ASP A 30 17.899 -1.162 -9.060 1.00 0.67 H new ATOM 434 N SER A 31 16.870 -3.157 -7.715 1.00 0.53 N ATOM 435 CA SER A 31 16.944 -4.073 -6.596 1.00 0.50 C ATOM 436 C SER A 31 16.537 -3.390 -5.297 1.00 0.42 C ATOM 437 O SER A 31 16.773 -2.196 -5.107 1.00 0.48 O ATOM 438 CB SER A 31 18.354 -4.624 -6.456 1.00 0.62 C ATOM 439 OG SER A 31 18.880 -5.037 -7.707 1.00 1.08 O ATOM 0 H SER A 31 17.078 -2.186 -7.482 1.00 0.53 H new ATOM 0 HA SER A 31 16.251 -4.891 -6.792 1.00 0.50 H new ATOM 0 HB2 SER A 31 19.002 -3.862 -6.022 1.00 0.62 H new ATOM 0 HB3 SER A 31 18.349 -5.468 -5.766 1.00 0.62 H new ATOM 0 HG SER A 31 19.120 -4.249 -8.237 1.00 1.08 H new ATOM 445 N THR A 32 15.913 -4.152 -4.419 1.00 0.34 N ATOM 446 CA THR A 32 15.568 -3.670 -3.091 1.00 0.29 C ATOM 447 C THR A 32 16.140 -4.624 -2.036 1.00 0.27 C ATOM 448 O THR A 32 15.818 -4.549 -0.853 1.00 0.28 O ATOM 449 CB THR A 32 14.037 -3.503 -2.923 1.00 0.27 C ATOM 450 OG1 THR A 32 13.729 -2.877 -1.676 1.00 0.27 O ATOM 451 CG2 THR A 32 13.324 -4.839 -3.011 1.00 0.29 C ATOM 0 H THR A 32 15.632 -5.115 -4.602 1.00 0.34 H new ATOM 0 HA THR A 32 16.009 -2.683 -2.955 1.00 0.29 H new ATOM 0 HB THR A 32 13.688 -2.868 -3.737 1.00 0.27 H new ATOM 0 HG1 THR A 32 12.802 -3.077 -1.430 1.00 0.27 H new ATOM 0 HG21 THR A 32 12.251 -4.688 -2.889 1.00 0.29 H new ATOM 0 HG22 THR A 32 13.519 -5.292 -3.983 1.00 0.29 H new ATOM 0 HG23 THR A 32 13.689 -5.499 -2.224 1.00 0.29 H new ATOM 459 N ALA A 33 17.011 -5.518 -2.493 1.00 0.31 N ATOM 460 CA ALA A 33 17.666 -6.496 -1.627 1.00 0.32 C ATOM 461 C ALA A 33 18.666 -5.843 -0.664 1.00 0.34 C ATOM 462 O ALA A 33 19.260 -6.516 0.175 1.00 0.37 O ATOM 463 CB ALA A 33 18.355 -7.556 -2.467 1.00 0.37 C ATOM 0 H ALA A 33 17.284 -5.586 -3.474 1.00 0.31 H new ATOM 0 HA ALA A 33 16.892 -6.963 -1.017 1.00 0.32 H new ATOM 0 HB1 ALA A 33 18.840 -8.280 -1.813 1.00 0.37 H new ATOM 0 HB2 ALA A 33 17.617 -8.065 -3.088 1.00 0.37 H new ATOM 0 HB3 ALA A 33 19.103 -7.085 -3.105 1.00 0.37 H new ATOM 469 N ASP A 34 18.862 -4.544 -0.803 1.00 0.35 N ATOM 470 CA ASP A 34 19.758 -3.804 0.085 1.00 0.40 C ATOM 471 C ASP A 34 18.974 -3.138 1.207 1.00 0.36 C ATOM 472 O ASP A 34 19.516 -2.843 2.271 1.00 0.43 O ATOM 473 CB ASP A 34 20.553 -2.748 -0.685 1.00 0.49 C ATOM 474 CG ASP A 34 21.685 -3.343 -1.497 1.00 1.29 C ATOM 475 OD1 ASP A 34 22.780 -3.551 -0.936 1.00 1.31 O ATOM 476 OD2 ASP A 34 21.481 -3.617 -2.698 1.00 2.21 O ATOM 0 H ASP A 34 18.415 -3.974 -1.521 1.00 0.35 H new ATOM 0 HA ASP A 34 20.458 -4.520 0.515 1.00 0.40 H new ATOM 0 HB2 ASP A 34 19.880 -2.207 -1.350 1.00 0.49 H new ATOM 0 HB3 ASP A 34 20.959 -2.021 0.018 1.00 0.49 H new ATOM 481 N VAL A 35 17.696 -2.900 0.959 1.00 0.31 N ATOM 482 CA VAL A 35 16.817 -2.318 1.960 1.00 0.28 C ATOM 483 C VAL A 35 16.101 -3.434 2.716 1.00 0.25 C ATOM 484 O VAL A 35 15.652 -4.413 2.119 1.00 0.25 O ATOM 485 CB VAL A 35 15.810 -1.308 1.332 1.00 0.27 C ATOM 486 CG1 VAL A 35 15.857 -1.353 -0.189 1.00 0.28 C ATOM 487 CG2 VAL A 35 14.390 -1.548 1.824 1.00 0.26 C ATOM 0 H VAL A 35 17.243 -3.102 0.068 1.00 0.31 H new ATOM 0 HA VAL A 35 17.421 -1.746 2.665 1.00 0.28 H new ATOM 0 HB VAL A 35 16.115 -0.313 1.657 1.00 0.27 H new ATOM 0 HG11 VAL A 35 15.143 -0.637 -0.596 1.00 0.28 H new ATOM 0 HG12 VAL A 35 16.861 -1.099 -0.530 1.00 0.28 H new ATOM 0 HG13 VAL A 35 15.601 -2.356 -0.531 1.00 0.28 H new ATOM 0 HG21 VAL A 35 13.718 -0.824 1.363 1.00 0.26 H new ATOM 0 HG22 VAL A 35 14.077 -2.557 1.554 1.00 0.26 H new ATOM 0 HG23 VAL A 35 14.357 -1.436 2.908 1.00 0.26 H new ATOM 497 N THR A 36 16.026 -3.299 4.032 1.00 0.25 N ATOM 498 CA THR A 36 15.473 -4.342 4.874 1.00 0.27 C ATOM 499 C THR A 36 14.006 -4.070 5.144 1.00 0.23 C ATOM 500 O THR A 36 13.476 -3.066 4.678 1.00 0.20 O ATOM 501 CB THR A 36 16.219 -4.418 6.216 1.00 0.31 C ATOM 502 OG1 THR A 36 16.140 -3.152 6.884 1.00 0.30 O ATOM 503 CG2 THR A 36 17.678 -4.802 6.007 1.00 0.39 C ATOM 0 H THR A 36 16.343 -2.473 4.539 1.00 0.25 H new ATOM 0 HA THR A 36 15.586 -5.290 4.349 1.00 0.27 H new ATOM 0 HB THR A 36 15.748 -5.186 6.830 1.00 0.31 H new ATOM 0 HG1 THR A 36 16.847 -2.561 6.550 1.00 0.30 H new ATOM 0 HG21 THR A 36 18.184 -4.849 6.971 1.00 0.39 H new ATOM 0 HG22 THR A 36 17.732 -5.776 5.521 1.00 0.39 H new ATOM 0 HG23 THR A 36 18.164 -4.056 5.378 1.00 0.39 H new ATOM 511 N TYR A 37 13.345 -4.934 5.903 1.00 0.26 N ATOM 512 CA TYR A 37 11.965 -4.671 6.277 1.00 0.27 C ATOM 513 C TYR A 37 11.907 -3.408 7.132 1.00 0.23 C ATOM 514 O TYR A 37 10.923 -2.675 7.112 1.00 0.23 O ATOM 515 CB TYR A 37 11.335 -5.871 7.004 1.00 0.38 C ATOM 516 CG TYR A 37 11.767 -6.057 8.444 1.00 0.44 C ATOM 517 CD1 TYR A 37 13.044 -6.501 8.762 1.00 0.68 C ATOM 518 CD2 TYR A 37 10.883 -5.799 9.485 1.00 1.16 C ATOM 519 CE1 TYR A 37 13.431 -6.680 10.077 1.00 0.74 C ATOM 520 CE2 TYR A 37 11.264 -5.973 10.803 1.00 1.53 C ATOM 521 CZ TYR A 37 12.538 -6.414 11.093 1.00 1.12 C ATOM 522 OH TYR A 37 12.924 -6.589 12.404 1.00 1.50 O ATOM 0 H TYR A 37 13.733 -5.805 6.265 1.00 0.26 H new ATOM 0 HA TYR A 37 11.379 -4.515 5.371 1.00 0.27 H new ATOM 0 HB2 TYR A 37 10.251 -5.761 6.979 1.00 0.38 H new ATOM 0 HB3 TYR A 37 11.577 -6.778 6.450 1.00 0.38 H new ATOM 0 HD1 TYR A 37 13.746 -6.710 7.969 1.00 0.68 H new ATOM 0 HD2 TYR A 37 9.883 -5.457 9.261 1.00 1.16 H new ATOM 0 HE1 TYR A 37 14.428 -7.026 10.307 1.00 0.74 H new ATOM 0 HE2 TYR A 37 10.567 -5.765 11.601 1.00 1.53 H new ATOM 0 HH TYR A 37 12.180 -6.357 12.998 1.00 1.50 H new ATOM 532 N GLU A 38 12.999 -3.136 7.842 1.00 0.23 N ATOM 533 CA GLU A 38 13.103 -1.946 8.672 1.00 0.24 C ATOM 534 C GLU A 38 13.289 -0.708 7.803 1.00 0.24 C ATOM 535 O GLU A 38 12.634 0.312 8.018 1.00 0.26 O ATOM 536 CB GLU A 38 14.265 -2.084 9.655 1.00 0.29 C ATOM 537 CG GLU A 38 14.142 -3.300 10.554 1.00 0.35 C ATOM 538 CD GLU A 38 15.291 -3.432 11.527 1.00 0.67 C ATOM 539 OE1 GLU A 38 16.358 -3.938 11.129 1.00 0.96 O ATOM 540 OE2 GLU A 38 15.127 -3.047 12.700 1.00 0.93 O ATOM 0 H GLU A 38 13.828 -3.730 7.857 1.00 0.23 H new ATOM 0 HA GLU A 38 12.179 -1.837 9.239 1.00 0.24 H new ATOM 0 HB2 GLU A 38 15.200 -2.145 9.097 1.00 0.29 H new ATOM 0 HB3 GLU A 38 14.320 -1.187 10.272 1.00 0.29 H new ATOM 0 HG2 GLU A 38 13.207 -3.241 11.110 1.00 0.35 H new ATOM 0 HG3 GLU A 38 14.090 -4.197 9.937 1.00 0.35 H new ATOM 547 N ASP A 39 14.169 -0.807 6.806 1.00 0.24 N ATOM 548 CA ASP A 39 14.379 0.294 5.862 1.00 0.26 C ATOM 549 C ASP A 39 13.120 0.512 5.042 1.00 0.22 C ATOM 550 O ASP A 39 12.798 1.631 4.644 1.00 0.23 O ATOM 551 CB ASP A 39 15.545 0.007 4.913 1.00 0.31 C ATOM 552 CG ASP A 39 16.868 -0.159 5.621 1.00 0.61 C ATOM 553 OD1 ASP A 39 17.369 0.836 6.181 1.00 0.91 O ATOM 554 OD2 ASP A 39 17.402 -1.287 5.638 1.00 0.82 O ATOM 0 H ASP A 39 14.744 -1.631 6.631 1.00 0.24 H new ATOM 0 HA ASP A 39 14.616 1.187 6.441 1.00 0.26 H new ATOM 0 HB2 ASP A 39 15.328 -0.899 4.347 1.00 0.31 H new ATOM 0 HB3 ASP A 39 15.626 0.821 4.193 1.00 0.31 H new ATOM 559 N ALA A 40 12.417 -0.580 4.798 1.00 0.19 N ATOM 560 CA ALA A 40 11.165 -0.550 4.060 1.00 0.18 C ATOM 561 C ALA A 40 10.090 0.154 4.869 1.00 0.16 C ATOM 562 O ALA A 40 9.337 0.968 4.338 1.00 0.17 O ATOM 563 CB ALA A 40 10.719 -1.957 3.705 1.00 0.18 C ATOM 0 H ALA A 40 12.697 -1.512 5.105 1.00 0.19 H new ATOM 0 HA ALA A 40 11.326 0.005 3.136 1.00 0.18 H new ATOM 0 HB1 ALA A 40 9.780 -1.913 3.153 1.00 0.18 H new ATOM 0 HB2 ALA A 40 11.480 -2.435 3.089 1.00 0.18 H new ATOM 0 HB3 ALA A 40 10.576 -2.535 4.618 1.00 0.18 H new ATOM 569 N ILE A 41 10.018 -0.164 6.157 1.00 0.16 N ATOM 570 CA ILE A 41 9.103 0.524 7.052 1.00 0.18 C ATOM 571 C ILE A 41 9.471 1.991 7.128 1.00 0.20 C ATOM 572 O ILE A 41 8.600 2.857 7.135 1.00 0.21 O ATOM 573 CB ILE A 41 9.101 -0.085 8.477 1.00 0.22 C ATOM 574 CG1 ILE A 41 8.521 -1.500 8.456 1.00 0.24 C ATOM 575 CG2 ILE A 41 8.309 0.795 9.436 1.00 0.27 C ATOM 576 CD1 ILE A 41 8.645 -2.234 9.774 1.00 0.30 C ATOM 0 H ILE A 41 10.580 -0.890 6.600 1.00 0.16 H new ATOM 0 HA ILE A 41 8.099 0.406 6.644 1.00 0.18 H new ATOM 0 HB ILE A 41 10.132 -0.137 8.826 1.00 0.22 H new ATOM 0 HG12 ILE A 41 7.468 -1.446 8.179 1.00 0.24 H new ATOM 0 HG13 ILE A 41 9.025 -2.077 7.681 1.00 0.24 H new ATOM 0 HG21 ILE A 41 8.320 0.350 10.431 1.00 0.27 H new ATOM 0 HG22 ILE A 41 8.760 1.786 9.477 1.00 0.27 H new ATOM 0 HG23 ILE A 41 7.280 0.879 9.087 1.00 0.27 H new ATOM 0 HD11 ILE A 41 8.211 -3.229 9.678 1.00 0.30 H new ATOM 0 HD12 ILE A 41 9.697 -2.321 10.044 1.00 0.30 H new ATOM 0 HD13 ILE A 41 8.116 -1.681 10.550 1.00 0.30 H new ATOM 588 N LYS A 42 10.767 2.266 7.121 1.00 0.22 N ATOM 589 CA LYS A 42 11.249 3.631 7.191 1.00 0.28 C ATOM 590 C LYS A 42 10.849 4.390 5.932 1.00 0.28 C ATOM 591 O LYS A 42 10.748 5.617 5.928 1.00 0.37 O ATOM 592 CB LYS A 42 12.765 3.657 7.356 1.00 0.31 C ATOM 593 CG LYS A 42 13.304 5.035 7.693 1.00 0.85 C ATOM 594 CD LYS A 42 14.818 5.050 7.767 1.00 1.14 C ATOM 595 CE LYS A 42 15.332 6.416 8.186 1.00 1.46 C ATOM 596 NZ LYS A 42 14.844 6.801 9.538 1.00 2.32 N ATOM 0 H LYS A 42 11.501 1.560 7.067 1.00 0.22 H new ATOM 0 HA LYS A 42 10.798 4.114 8.058 1.00 0.28 H new ATOM 0 HB2 LYS A 42 13.051 2.959 8.143 1.00 0.31 H new ATOM 0 HB3 LYS A 42 13.231 3.307 6.435 1.00 0.31 H new ATOM 0 HG2 LYS A 42 12.971 5.749 6.940 1.00 0.85 H new ATOM 0 HG3 LYS A 42 12.891 5.362 8.647 1.00 0.85 H new ATOM 0 HD2 LYS A 42 15.158 4.297 8.478 1.00 1.14 H new ATOM 0 HD3 LYS A 42 15.235 4.783 6.796 1.00 1.14 H new ATOM 0 HE2 LYS A 42 16.422 6.411 8.181 1.00 1.46 H new ATOM 0 HE3 LYS A 42 15.013 7.163 7.459 1.00 1.46 H new ATOM 0 HZ1 LYS A 42 15.635 7.178 10.098 1.00 2.32 H new ATOM 0 HZ2 LYS A 42 14.107 7.529 9.447 1.00 2.32 H new ATOM 0 HZ3 LYS A 42 14.449 5.966 10.015 1.00 2.32 H new ATOM 610 N GLU A 43 10.607 3.639 4.872 1.00 0.22 N ATOM 611 CA GLU A 43 10.235 4.210 3.594 1.00 0.25 C ATOM 612 C GLU A 43 8.727 4.385 3.535 1.00 0.18 C ATOM 613 O GLU A 43 8.224 5.472 3.249 1.00 0.18 O ATOM 614 CB GLU A 43 10.728 3.303 2.463 1.00 0.33 C ATOM 615 CG GLU A 43 10.427 3.818 1.065 1.00 0.34 C ATOM 616 CD GLU A 43 11.355 3.217 0.027 1.00 0.55 C ATOM 617 OE1 GLU A 43 12.583 3.209 0.244 1.00 1.02 O ATOM 618 OE2 GLU A 43 10.855 2.725 -1.006 1.00 0.94 O ATOM 0 H GLU A 43 10.663 2.621 4.875 1.00 0.22 H new ATOM 0 HA GLU A 43 10.700 5.189 3.476 1.00 0.25 H new ATOM 0 HB2 GLU A 43 11.805 3.171 2.564 1.00 0.33 H new ATOM 0 HB3 GLU A 43 10.274 2.319 2.579 1.00 0.33 H new ATOM 0 HG2 GLU A 43 9.394 3.584 0.807 1.00 0.34 H new ATOM 0 HG3 GLU A 43 10.521 4.904 1.050 1.00 0.34 H new ATOM 625 N LEU A 44 8.013 3.317 3.865 1.00 0.16 N ATOM 626 CA LEU A 44 6.560 3.325 3.814 1.00 0.15 C ATOM 627 C LEU A 44 5.998 4.353 4.795 1.00 0.14 C ATOM 628 O LEU A 44 5.021 5.036 4.498 1.00 0.16 O ATOM 629 CB LEU A 44 5.995 1.935 4.130 1.00 0.13 C ATOM 630 CG LEU A 44 4.484 1.792 3.916 1.00 0.15 C ATOM 631 CD1 LEU A 44 4.129 2.032 2.464 1.00 0.17 C ATOM 632 CD2 LEU A 44 4.003 0.420 4.343 1.00 0.14 C ATOM 0 H LEU A 44 8.419 2.433 4.171 1.00 0.16 H new ATOM 0 HA LEU A 44 6.259 3.599 2.803 1.00 0.15 H new ATOM 0 HB2 LEU A 44 6.507 1.200 3.509 1.00 0.13 H new ATOM 0 HB3 LEU A 44 6.226 1.692 5.167 1.00 0.13 H new ATOM 0 HG LEU A 44 3.987 2.541 4.532 1.00 0.15 H new ATOM 0 HD11 LEU A 44 3.052 1.926 2.330 1.00 0.17 H new ATOM 0 HD12 LEU A 44 4.433 3.038 2.177 1.00 0.17 H new ATOM 0 HD13 LEU A 44 4.645 1.304 1.838 1.00 0.17 H new ATOM 0 HD21 LEU A 44 2.928 0.345 4.181 1.00 0.14 H new ATOM 0 HD22 LEU A 44 4.513 -0.343 3.755 1.00 0.14 H new ATOM 0 HD23 LEU A 44 4.222 0.270 5.400 1.00 0.14 H new ATOM 644 N GLN A 45 6.639 4.460 5.959 1.00 0.14 N ATOM 645 CA GLN A 45 6.218 5.392 7.005 1.00 0.14 C ATOM 646 C GLN A 45 6.267 6.839 6.545 1.00 0.17 C ATOM 647 O GLN A 45 5.472 7.657 6.995 1.00 0.27 O ATOM 648 CB GLN A 45 7.087 5.213 8.249 1.00 0.16 C ATOM 649 CG GLN A 45 6.524 4.199 9.227 1.00 0.22 C ATOM 650 CD GLN A 45 5.534 4.821 10.188 1.00 0.36 C ATOM 651 OE1 GLN A 45 4.272 4.851 9.802 1.00 0.87 O flip ATOM 652 NE2 GLN A 45 5.904 5.283 11.267 1.00 0.44 N flip ATOM 0 H GLN A 45 7.460 3.906 6.203 1.00 0.14 H new ATOM 0 HA GLN A 45 5.180 5.160 7.243 1.00 0.14 H new ATOM 0 HB2 GLN A 45 8.086 4.900 7.945 1.00 0.16 H new ATOM 0 HB3 GLN A 45 7.193 6.174 8.752 1.00 0.16 H new ATOM 0 HG2 GLN A 45 6.036 3.396 8.675 1.00 0.22 H new ATOM 0 HG3 GLN A 45 7.341 3.748 9.791 1.00 0.22 H new ATOM 0 HE21 GLN A 45 6.889 5.241 11.529 1.00 0.44 H new ATOM 0 HE22 GLN A 45 5.226 5.708 11.899 1.00 0.44 H new ATOM 661 N LYS A 46 7.191 7.159 5.655 1.00 0.14 N ATOM 662 CA LYS A 46 7.309 8.523 5.168 1.00 0.17 C ATOM 663 C LYS A 46 6.270 8.799 4.092 1.00 0.18 C ATOM 664 O LYS A 46 5.670 9.870 4.059 1.00 0.21 O ATOM 665 CB LYS A 46 8.720 8.789 4.641 1.00 0.22 C ATOM 666 CG LYS A 46 9.786 8.703 5.721 1.00 0.27 C ATOM 667 CD LYS A 46 11.163 9.053 5.184 1.00 0.39 C ATOM 668 CE LYS A 46 12.216 9.009 6.281 1.00 0.49 C ATOM 669 NZ LYS A 46 11.893 9.936 7.400 1.00 1.31 N ATOM 0 H LYS A 46 7.863 6.502 5.259 1.00 0.14 H new ATOM 0 HA LYS A 46 7.125 9.201 6.001 1.00 0.17 H new ATOM 0 HB2 LYS A 46 8.949 8.070 3.855 1.00 0.22 H new ATOM 0 HB3 LYS A 46 8.751 9.779 4.186 1.00 0.22 H new ATOM 0 HG2 LYS A 46 9.532 9.379 6.537 1.00 0.27 H new ATOM 0 HG3 LYS A 46 9.803 7.695 6.135 1.00 0.27 H new ATOM 0 HD2 LYS A 46 11.433 8.356 4.390 1.00 0.39 H new ATOM 0 HD3 LYS A 46 11.140 10.048 4.740 1.00 0.39 H new ATOM 0 HE2 LYS A 46 12.298 7.992 6.665 1.00 0.49 H new ATOM 0 HE3 LYS A 46 13.188 9.271 5.862 1.00 0.49 H new ATOM 0 HZ1 LYS A 46 12.741 10.083 7.984 1.00 1.31 H new ATOM 0 HZ2 LYS A 46 11.575 10.848 7.014 1.00 1.31 H new ATOM 0 HZ3 LYS A 46 11.137 9.525 7.984 1.00 1.31 H new ATOM 683 N TRP A 47 6.056 7.833 3.212 1.00 0.16 N ATOM 684 CA TRP A 47 5.040 7.965 2.180 1.00 0.19 C ATOM 685 C TRP A 47 3.632 7.995 2.761 1.00 0.19 C ATOM 686 O TRP A 47 2.836 8.849 2.382 1.00 0.22 O ATOM 687 CB TRP A 47 5.207 6.862 1.138 1.00 0.20 C ATOM 688 CG TRP A 47 6.536 6.976 0.471 1.00 0.20 C ATOM 689 CD1 TRP A 47 7.533 6.043 0.421 1.00 0.18 C ATOM 690 CD2 TRP A 47 7.036 8.135 -0.197 1.00 0.30 C ATOM 691 NE1 TRP A 47 8.619 6.557 -0.240 1.00 0.24 N ATOM 692 CE2 TRP A 47 8.336 7.839 -0.626 1.00 0.32 C ATOM 693 CE3 TRP A 47 6.504 9.400 -0.472 1.00 0.41 C ATOM 694 CZ2 TRP A 47 9.114 8.757 -1.312 1.00 0.43 C ATOM 695 CZ3 TRP A 47 7.278 10.310 -1.158 1.00 0.52 C ATOM 696 CH2 TRP A 47 8.573 9.986 -1.570 1.00 0.52 C ATOM 0 H TRP A 47 6.570 6.952 3.192 1.00 0.16 H new ATOM 0 HA TRP A 47 5.181 8.926 1.685 1.00 0.19 H new ATOM 0 HB2 TRP A 47 5.114 5.886 1.614 1.00 0.20 H new ATOM 0 HB3 TRP A 47 4.413 6.931 0.395 1.00 0.20 H new ATOM 0 HD1 TRP A 47 7.474 5.049 0.840 1.00 0.18 H new ATOM 0 HE1 TRP A 47 9.495 6.064 -0.415 1.00 0.24 H new ATOM 0 HE3 TRP A 47 5.505 9.658 -0.152 1.00 0.41 H new ATOM 0 HZ2 TRP A 47 10.115 8.510 -1.633 1.00 0.43 H new ATOM 0 HZ3 TRP A 47 6.878 11.288 -1.381 1.00 0.52 H new ATOM 0 HH2 TRP A 47 9.158 10.721 -2.103 1.00 0.52 H new ATOM 707 N SER A 48 3.326 7.100 3.697 1.00 0.17 N ATOM 708 CA SER A 48 2.023 7.116 4.346 1.00 0.19 C ATOM 709 C SER A 48 1.856 8.411 5.136 1.00 0.20 C ATOM 710 O SER A 48 0.751 8.931 5.275 1.00 0.28 O ATOM 711 CB SER A 48 1.841 5.888 5.251 1.00 0.23 C ATOM 712 OG SER A 48 2.773 5.862 6.322 1.00 0.82 O ATOM 0 H SER A 48 3.955 6.364 4.018 1.00 0.17 H new ATOM 0 HA SER A 48 1.249 7.072 3.580 1.00 0.19 H new ATOM 0 HB2 SER A 48 0.828 5.884 5.654 1.00 0.23 H new ATOM 0 HB3 SER A 48 1.951 4.982 4.655 1.00 0.23 H new ATOM 0 HG SER A 48 3.680 5.760 5.964 1.00 0.82 H new ATOM 718 N GLN A 49 2.976 8.931 5.625 1.00 0.17 N ATOM 719 CA GLN A 49 3.006 10.213 6.318 1.00 0.17 C ATOM 720 C GLN A 49 2.637 11.340 5.364 1.00 0.18 C ATOM 721 O GLN A 49 1.728 12.119 5.634 1.00 0.21 O ATOM 722 CB GLN A 49 4.404 10.460 6.882 1.00 0.19 C ATOM 723 CG GLN A 49 4.477 11.606 7.866 1.00 0.23 C ATOM 724 CD GLN A 49 5.909 11.985 8.189 1.00 0.36 C ATOM 725 OE1 GLN A 49 6.511 11.452 9.122 1.00 0.53 O ATOM 726 NE2 GLN A 49 6.469 12.898 7.414 1.00 0.45 N ATOM 0 H GLN A 49 3.886 8.477 5.552 1.00 0.17 H new ATOM 0 HA GLN A 49 2.282 10.188 7.132 1.00 0.17 H new ATOM 0 HB2 GLN A 49 4.753 9.551 7.372 1.00 0.19 H new ATOM 0 HB3 GLN A 49 5.088 10.659 6.057 1.00 0.19 H new ATOM 0 HG2 GLN A 49 3.957 12.471 7.455 1.00 0.23 H new ATOM 0 HG3 GLN A 49 3.959 11.329 8.784 1.00 0.23 H new ATOM 0 HE21 GLN A 49 5.936 13.316 6.651 1.00 0.45 H new ATOM 0 HE22 GLN A 49 7.434 13.185 7.579 1.00 0.45 H new ATOM 735 N ARG A 50 3.339 11.403 4.238 1.00 0.16 N ATOM 736 CA ARG A 50 3.135 12.468 3.263 1.00 0.16 C ATOM 737 C ARG A 50 1.749 12.398 2.636 1.00 0.14 C ATOM 738 O ARG A 50 1.108 13.424 2.425 1.00 0.15 O ATOM 739 CB ARG A 50 4.192 12.409 2.166 1.00 0.15 C ATOM 740 CG ARG A 50 5.598 12.696 2.645 1.00 0.19 C ATOM 741 CD ARG A 50 6.588 12.620 1.498 1.00 0.20 C ATOM 742 NE ARG A 50 7.929 13.021 1.908 1.00 0.27 N ATOM 743 CZ ARG A 50 8.925 13.278 1.062 1.00 0.33 C ATOM 744 NH1 ARG A 50 8.735 13.190 -0.251 1.00 0.35 N ATOM 745 NH2 ARG A 50 10.113 13.637 1.531 1.00 0.42 N ATOM 0 H ARG A 50 4.057 10.727 3.977 1.00 0.16 H new ATOM 0 HA ARG A 50 3.224 13.413 3.799 1.00 0.16 H new ATOM 0 HB2 ARG A 50 4.171 11.420 1.709 1.00 0.15 H new ATOM 0 HB3 ARG A 50 3.932 13.126 1.387 1.00 0.15 H new ATOM 0 HG2 ARG A 50 5.637 13.686 3.099 1.00 0.19 H new ATOM 0 HG3 ARG A 50 5.876 11.980 3.418 1.00 0.19 H new ATOM 0 HD2 ARG A 50 6.616 11.602 1.110 1.00 0.20 H new ATOM 0 HD3 ARG A 50 6.250 13.262 0.684 1.00 0.20 H new ATOM 0 HE ARG A 50 8.116 13.110 2.907 1.00 0.27 H new ATOM 0 HH11 ARG A 50 7.821 12.924 -0.617 1.00 0.35 H new ATOM 0 HH12 ARG A 50 9.503 13.389 -0.892 1.00 0.35 H new ATOM 0 HH21 ARG A 50 10.262 13.716 2.537 1.00 0.42 H new ATOM 0 HH22 ARG A 50 10.878 13.834 0.886 1.00 0.42 H new ATOM 759 N ILE A 51 1.303 11.190 2.319 1.00 0.13 N ATOM 760 CA ILE A 51 -0.037 10.987 1.780 1.00 0.13 C ATOM 761 C ILE A 51 -1.099 11.449 2.782 1.00 0.16 C ATOM 762 O ILE A 51 -2.152 11.966 2.401 1.00 0.20 O ATOM 763 CB ILE A 51 -0.272 9.501 1.413 1.00 0.13 C ATOM 764 CG1 ILE A 51 0.686 9.061 0.303 1.00 0.12 C ATOM 765 CG2 ILE A 51 -1.711 9.269 0.980 1.00 0.15 C ATOM 766 CD1 ILE A 51 0.582 7.589 -0.039 1.00 0.13 C ATOM 0 H ILE A 51 1.849 10.335 2.425 1.00 0.13 H new ATOM 0 HA ILE A 51 -0.122 11.585 0.873 1.00 0.13 H new ATOM 0 HB ILE A 51 -0.078 8.903 2.303 1.00 0.13 H new ATOM 0 HG12 ILE A 51 0.485 9.649 -0.593 1.00 0.12 H new ATOM 0 HG13 ILE A 51 1.709 9.283 0.608 1.00 0.12 H new ATOM 0 HG21 ILE A 51 -1.850 8.218 0.728 1.00 0.15 H new ATOM 0 HG22 ILE A 51 -2.384 9.539 1.794 1.00 0.15 H new ATOM 0 HG23 ILE A 51 -1.932 9.884 0.108 1.00 0.15 H new ATOM 0 HD11 ILE A 51 1.289 7.349 -0.833 1.00 0.13 H new ATOM 0 HD12 ILE A 51 0.812 6.993 0.844 1.00 0.13 H new ATOM 0 HD13 ILE A 51 -0.430 7.364 -0.375 1.00 0.13 H new ATOM 778 N ALA A 52 -0.808 11.276 4.067 1.00 0.16 N ATOM 779 CA ALA A 52 -1.728 11.680 5.119 1.00 0.20 C ATOM 780 C ALA A 52 -1.679 13.189 5.346 1.00 0.22 C ATOM 781 O ALA A 52 -2.716 13.836 5.507 1.00 0.27 O ATOM 782 CB ALA A 52 -1.404 10.936 6.408 1.00 0.21 C ATOM 0 H ALA A 52 0.059 10.858 4.403 1.00 0.16 H new ATOM 0 HA ALA A 52 -2.740 11.424 4.805 1.00 0.20 H new ATOM 0 HB1 ALA A 52 -2.098 11.244 7.190 1.00 0.21 H new ATOM 0 HB2 ALA A 52 -1.498 9.863 6.242 1.00 0.21 H new ATOM 0 HB3 ALA A 52 -0.384 11.168 6.715 1.00 0.21 H new ATOM 788 N SER A 53 -0.474 13.745 5.338 1.00 0.22 N ATOM 789 CA SER A 53 -0.276 15.163 5.607 1.00 0.26 C ATOM 790 C SER A 53 -0.671 16.023 4.407 1.00 0.28 C ATOM 791 O SER A 53 -1.109 17.164 4.563 1.00 0.35 O ATOM 792 CB SER A 53 1.189 15.417 5.969 1.00 0.28 C ATOM 793 OG SER A 53 2.048 14.923 4.955 1.00 0.26 O ATOM 0 H SER A 53 0.386 13.231 5.147 1.00 0.22 H new ATOM 0 HA SER A 53 -0.918 15.442 6.443 1.00 0.26 H new ATOM 0 HB2 SER A 53 1.355 16.486 6.105 1.00 0.28 H new ATOM 0 HB3 SER A 53 1.423 14.935 6.918 1.00 0.28 H new ATOM 0 HG SER A 53 2.981 15.035 5.233 1.00 0.26 H new ATOM 799 N GLY A 54 -0.528 15.468 3.214 1.00 0.25 N ATOM 800 CA GLY A 54 -0.853 16.204 2.011 1.00 0.28 C ATOM 801 C GLY A 54 0.383 16.706 1.295 1.00 0.26 C ATOM 802 O GLY A 54 0.289 17.506 0.365 1.00 0.30 O ATOM 0 H GLY A 54 -0.192 14.518 3.057 1.00 0.25 H new ATOM 0 HA2 GLY A 54 -1.425 15.564 1.339 1.00 0.28 H new ATOM 0 HA3 GLY A 54 -1.492 17.050 2.266 1.00 0.28 H new ATOM 806 N GLU A 55 1.546 16.238 1.737 1.00 0.23 N ATOM 807 CA GLU A 55 2.807 16.585 1.094 1.00 0.23 C ATOM 808 C GLU A 55 2.828 16.027 -0.323 1.00 0.20 C ATOM 809 O GLU A 55 3.235 16.702 -1.265 1.00 0.24 O ATOM 810 CB GLU A 55 3.983 16.048 1.907 1.00 0.24 C ATOM 811 CG GLU A 55 4.064 16.646 3.300 1.00 0.42 C ATOM 812 CD GLU A 55 5.133 16.005 4.159 1.00 0.46 C ATOM 813 OE1 GLU A 55 6.320 16.349 3.988 1.00 0.54 O ATOM 814 OE2 GLU A 55 4.792 15.146 4.998 1.00 0.65 O ATOM 0 H GLU A 55 1.641 15.616 2.540 1.00 0.23 H new ATOM 0 HA GLU A 55 2.899 17.670 1.045 1.00 0.23 H new ATOM 0 HB2 GLU A 55 3.897 14.964 1.987 1.00 0.24 H new ATOM 0 HB3 GLU A 55 4.911 16.256 1.374 1.00 0.24 H new ATOM 0 HG2 GLU A 55 4.263 17.715 3.219 1.00 0.42 H new ATOM 0 HG3 GLU A 55 3.097 16.538 3.792 1.00 0.42 H new ATOM 821 N VAL A 56 2.380 14.787 -0.456 1.00 0.17 N ATOM 822 CA VAL A 56 2.136 14.182 -1.756 1.00 0.15 C ATOM 823 C VAL A 56 0.844 13.392 -1.697 1.00 0.15 C ATOM 824 O VAL A 56 0.470 12.882 -0.642 1.00 0.19 O ATOM 825 CB VAL A 56 3.274 13.246 -2.228 1.00 0.15 C ATOM 826 CG1 VAL A 56 4.506 14.037 -2.624 1.00 0.18 C ATOM 827 CG2 VAL A 56 3.623 12.226 -1.164 1.00 0.15 C ATOM 0 H VAL A 56 2.176 14.174 0.333 1.00 0.17 H new ATOM 0 HA VAL A 56 2.078 14.998 -2.477 1.00 0.15 H new ATOM 0 HB VAL A 56 2.912 12.712 -3.107 1.00 0.15 H new ATOM 0 HG11 VAL A 56 5.288 13.352 -2.951 1.00 0.18 H new ATOM 0 HG12 VAL A 56 4.256 14.717 -3.438 1.00 0.18 H new ATOM 0 HG13 VAL A 56 4.861 14.611 -1.768 1.00 0.18 H new ATOM 0 HG21 VAL A 56 4.426 11.583 -1.526 1.00 0.15 H new ATOM 0 HG22 VAL A 56 3.949 12.740 -0.260 1.00 0.15 H new ATOM 0 HG23 VAL A 56 2.746 11.619 -0.940 1.00 0.15 H new ATOM 837 N SER A 57 0.160 13.303 -2.818 1.00 0.13 N ATOM 838 CA SER A 57 -1.090 12.576 -2.880 1.00 0.15 C ATOM 839 C SER A 57 -0.805 11.090 -3.037 1.00 0.15 C ATOM 840 O SER A 57 0.310 10.719 -3.416 1.00 0.18 O ATOM 841 CB SER A 57 -1.934 13.088 -4.044 1.00 0.22 C ATOM 842 OG SER A 57 -2.016 14.504 -4.023 1.00 0.97 O ATOM 0 H SER A 57 0.449 13.726 -3.700 1.00 0.13 H new ATOM 0 HA SER A 57 -1.648 12.732 -1.957 1.00 0.15 H new ATOM 0 HB2 SER A 57 -1.498 12.759 -4.987 1.00 0.22 H new ATOM 0 HB3 SER A 57 -2.935 12.661 -3.989 1.00 0.22 H new ATOM 0 HG SER A 57 -2.560 14.811 -4.778 1.00 0.97 H new ATOM 848 N PHE A 58 -1.787 10.243 -2.750 1.00 0.16 N ATOM 849 CA PHE A 58 -1.584 8.803 -2.837 1.00 0.16 C ATOM 850 C PHE A 58 -1.078 8.434 -4.230 1.00 0.18 C ATOM 851 O PHE A 58 -0.137 7.656 -4.373 1.00 0.19 O ATOM 852 CB PHE A 58 -2.881 8.053 -2.524 1.00 0.18 C ATOM 853 CG PHE A 58 -2.660 6.672 -1.965 1.00 0.17 C ATOM 854 CD1 PHE A 58 -2.082 5.678 -2.736 1.00 0.18 C ATOM 855 CD2 PHE A 58 -3.033 6.370 -0.665 1.00 0.19 C ATOM 856 CE1 PHE A 58 -1.878 4.412 -2.223 1.00 0.20 C ATOM 857 CE2 PHE A 58 -2.833 5.106 -0.147 1.00 0.21 C ATOM 858 CZ PHE A 58 -2.255 4.127 -0.926 1.00 0.22 C ATOM 0 H PHE A 58 -2.723 10.525 -2.458 1.00 0.16 H new ATOM 0 HA PHE A 58 -0.837 8.510 -2.099 1.00 0.16 H new ATOM 0 HB2 PHE A 58 -3.464 8.635 -1.811 1.00 0.18 H new ATOM 0 HB3 PHE A 58 -3.475 7.976 -3.435 1.00 0.18 H new ATOM 0 HD1 PHE A 58 -1.787 5.895 -3.752 1.00 0.18 H new ATOM 0 HD2 PHE A 58 -3.486 7.133 -0.049 1.00 0.19 H new ATOM 0 HE1 PHE A 58 -1.424 3.647 -2.835 1.00 0.20 H new ATOM 0 HE2 PHE A 58 -3.129 4.885 0.868 1.00 0.21 H new ATOM 0 HZ PHE A 58 -2.097 3.138 -0.522 1.00 0.22 H new ATOM 868 N GLU A 59 -1.691 9.041 -5.242 1.00 0.20 N ATOM 869 CA GLU A 59 -1.312 8.814 -6.635 1.00 0.22 C ATOM 870 C GLU A 59 0.158 9.156 -6.877 1.00 0.24 C ATOM 871 O GLU A 59 0.886 8.378 -7.499 1.00 0.31 O ATOM 872 CB GLU A 59 -2.194 9.656 -7.560 1.00 0.27 C ATOM 873 CG GLU A 59 -3.676 9.362 -7.417 1.00 0.36 C ATOM 874 CD GLU A 59 -4.535 10.244 -8.299 1.00 0.87 C ATOM 875 OE1 GLU A 59 -4.696 9.918 -9.491 1.00 1.72 O ATOM 876 OE2 GLU A 59 -5.053 11.268 -7.803 1.00 0.96 O ATOM 0 H GLU A 59 -2.460 9.700 -5.122 1.00 0.20 H new ATOM 0 HA GLU A 59 -1.456 7.756 -6.852 1.00 0.22 H new ATOM 0 HB2 GLU A 59 -2.020 10.712 -7.353 1.00 0.27 H new ATOM 0 HB3 GLU A 59 -1.895 9.480 -8.593 1.00 0.27 H new ATOM 0 HG2 GLU A 59 -3.860 8.317 -7.666 1.00 0.36 H new ATOM 0 HG3 GLU A 59 -3.971 9.499 -6.377 1.00 0.36 H new ATOM 883 N GLU A 60 0.586 10.313 -6.368 1.00 0.23 N ATOM 884 CA GLU A 60 1.960 10.778 -6.549 1.00 0.24 C ATOM 885 C GLU A 60 2.949 9.780 -5.969 1.00 0.23 C ATOM 886 O GLU A 60 3.924 9.401 -6.617 1.00 0.26 O ATOM 887 CB GLU A 60 2.165 12.141 -5.881 1.00 0.25 C ATOM 888 CG GLU A 60 1.307 13.245 -6.471 1.00 0.29 C ATOM 889 CD GLU A 60 1.598 13.469 -7.936 1.00 1.18 C ATOM 890 OE1 GLU A 60 2.663 14.028 -8.259 1.00 1.24 O ATOM 891 OE2 GLU A 60 0.754 13.095 -8.776 1.00 2.09 O ATOM 0 H GLU A 60 -0.002 10.946 -5.826 1.00 0.23 H new ATOM 0 HA GLU A 60 2.137 10.874 -7.620 1.00 0.24 H new ATOM 0 HB2 GLU A 60 1.945 12.051 -4.817 1.00 0.25 H new ATOM 0 HB3 GLU A 60 3.214 12.423 -5.967 1.00 0.25 H new ATOM 0 HG2 GLU A 60 0.254 12.992 -6.346 1.00 0.29 H new ATOM 0 HG3 GLU A 60 1.480 14.171 -5.922 1.00 0.29 H new ATOM 898 N ALA A 61 2.688 9.352 -4.746 1.00 0.22 N ATOM 899 CA ALA A 61 3.565 8.415 -4.074 1.00 0.23 C ATOM 900 C ALA A 61 3.506 7.046 -4.737 1.00 0.22 C ATOM 901 O ALA A 61 4.532 6.480 -5.086 1.00 0.26 O ATOM 902 CB ALA A 61 3.204 8.311 -2.602 1.00 0.24 C ATOM 0 H ALA A 61 1.876 9.639 -4.200 1.00 0.22 H new ATOM 0 HA ALA A 61 4.586 8.787 -4.155 1.00 0.23 H new ATOM 0 HB1 ALA A 61 3.873 7.603 -2.113 1.00 0.24 H new ATOM 0 HB2 ALA A 61 3.305 9.290 -2.133 1.00 0.24 H new ATOM 0 HB3 ALA A 61 2.175 7.966 -2.503 1.00 0.24 H new ATOM 908 N ALA A 62 2.298 6.541 -4.947 1.00 0.20 N ATOM 909 CA ALA A 62 2.105 5.182 -5.439 1.00 0.20 C ATOM 910 C ALA A 62 2.786 4.942 -6.787 1.00 0.21 C ATOM 911 O ALA A 62 3.603 4.038 -6.914 1.00 0.24 O ATOM 912 CB ALA A 62 0.624 4.861 -5.529 1.00 0.20 C ATOM 0 H ALA A 62 1.432 7.055 -4.784 1.00 0.20 H new ATOM 0 HA ALA A 62 2.578 4.512 -4.721 1.00 0.20 H new ATOM 0 HB1 ALA A 62 0.494 3.844 -5.898 1.00 0.20 H new ATOM 0 HB2 ALA A 62 0.172 4.950 -4.541 1.00 0.20 H new ATOM 0 HB3 ALA A 62 0.141 5.559 -6.213 1.00 0.20 H new ATOM 918 N SER A 63 2.467 5.761 -7.778 1.00 0.21 N ATOM 919 CA SER A 63 2.982 5.582 -9.136 1.00 0.23 C ATOM 920 C SER A 63 4.507 5.454 -9.177 1.00 0.24 C ATOM 921 O SER A 63 5.058 4.802 -10.067 1.00 0.27 O ATOM 922 CB SER A 63 2.520 6.741 -10.018 1.00 0.26 C ATOM 923 OG SER A 63 2.898 6.544 -11.371 1.00 1.00 O ATOM 0 H SER A 63 1.848 6.565 -7.670 1.00 0.21 H new ATOM 0 HA SER A 63 2.580 4.644 -9.517 1.00 0.23 H new ATOM 0 HB2 SER A 63 1.437 6.841 -9.952 1.00 0.26 H new ATOM 0 HB3 SER A 63 2.949 7.673 -9.651 1.00 0.26 H new ATOM 0 HG SER A 63 2.612 5.654 -11.664 1.00 1.00 H new ATOM 929 N GLN A 64 5.188 6.054 -8.214 1.00 0.24 N ATOM 930 CA GLN A 64 6.637 6.004 -8.179 1.00 0.27 C ATOM 931 C GLN A 64 7.107 4.953 -7.190 1.00 0.26 C ATOM 932 O GLN A 64 7.982 4.142 -7.482 1.00 0.29 O ATOM 933 CB GLN A 64 7.195 7.361 -7.760 1.00 0.31 C ATOM 934 CG GLN A 64 6.587 8.520 -8.520 1.00 0.35 C ATOM 935 CD GLN A 64 7.099 9.865 -8.045 1.00 0.42 C ATOM 936 OE1 GLN A 64 8.121 10.360 -8.522 1.00 0.61 O ATOM 937 NE2 GLN A 64 6.379 10.473 -7.120 1.00 0.35 N ATOM 0 H GLN A 64 4.761 6.579 -7.450 1.00 0.24 H new ATOM 0 HA GLN A 64 6.995 5.748 -9.176 1.00 0.27 H new ATOM 0 HB2 GLN A 64 7.021 7.504 -6.694 1.00 0.31 H new ATOM 0 HB3 GLN A 64 8.275 7.364 -7.910 1.00 0.31 H new ATOM 0 HG2 GLN A 64 6.806 8.407 -9.582 1.00 0.35 H new ATOM 0 HG3 GLN A 64 5.503 8.490 -8.413 1.00 0.35 H new ATOM 0 HE21 GLN A 64 5.539 10.026 -6.752 1.00 0.35 H new ATOM 0 HE22 GLN A 64 6.663 11.389 -6.773 1.00 0.35 H new ATOM 946 N ARG A 65 6.504 4.988 -6.020 1.00 0.26 N ATOM 947 CA ARG A 65 6.982 4.229 -4.876 1.00 0.28 C ATOM 948 C ARG A 65 6.310 2.867 -4.711 1.00 0.27 C ATOM 949 O ARG A 65 6.958 1.916 -4.295 1.00 0.32 O ATOM 950 CB ARG A 65 6.779 5.068 -3.623 1.00 0.33 C ATOM 951 CG ARG A 65 7.402 6.452 -3.737 1.00 0.37 C ATOM 952 CD ARG A 65 8.863 6.357 -4.146 1.00 0.43 C ATOM 953 NE ARG A 65 9.548 7.646 -4.172 1.00 0.58 N ATOM 954 CZ ARG A 65 10.138 8.165 -5.252 1.00 0.66 C ATOM 955 NH1 ARG A 65 10.144 7.502 -6.403 1.00 0.59 N ATOM 956 NH2 ARG A 65 10.746 9.338 -5.172 1.00 0.86 N ATOM 0 H ARG A 65 5.669 5.542 -5.832 1.00 0.26 H new ATOM 0 HA ARG A 65 8.038 4.016 -5.045 1.00 0.28 H new ATOM 0 HB2 ARG A 65 5.712 5.169 -3.427 1.00 0.33 H new ATOM 0 HB3 ARG A 65 7.212 4.548 -2.768 1.00 0.33 H new ATOM 0 HG2 ARG A 65 6.853 7.043 -4.470 1.00 0.37 H new ATOM 0 HG3 ARG A 65 7.320 6.972 -2.782 1.00 0.37 H new ATOM 0 HD2 ARG A 65 9.382 5.693 -3.455 1.00 0.43 H new ATOM 0 HD3 ARG A 65 8.926 5.902 -5.134 1.00 0.43 H new ATOM 0 HE ARG A 65 9.578 8.186 -3.307 1.00 0.58 H new ATOM 0 HH11 ARG A 65 9.695 6.588 -6.468 1.00 0.59 H new ATOM 0 HH12 ARG A 65 10.597 7.907 -7.222 1.00 0.59 H new ATOM 0 HH21 ARG A 65 10.763 9.844 -4.287 1.00 0.86 H new ATOM 0 HH22 ARG A 65 11.197 9.736 -5.996 1.00 0.86 H new ATOM 970 N SER A 66 5.021 2.776 -5.004 1.00 0.25 N ATOM 971 CA SER A 66 4.304 1.513 -4.829 1.00 0.25 C ATOM 972 C SER A 66 4.797 0.473 -5.826 1.00 0.23 C ATOM 973 O SER A 66 4.780 0.698 -7.037 1.00 0.24 O ATOM 974 CB SER A 66 2.784 1.692 -4.971 1.00 0.24 C ATOM 975 OG SER A 66 2.381 1.773 -6.326 1.00 0.82 O ATOM 0 H SER A 66 4.454 3.546 -5.359 1.00 0.25 H new ATOM 0 HA SER A 66 4.508 1.166 -3.816 1.00 0.25 H new ATOM 0 HB2 SER A 66 2.275 0.856 -4.491 1.00 0.24 H new ATOM 0 HB3 SER A 66 2.475 2.597 -4.447 1.00 0.24 H new ATOM 0 HG SER A 66 2.963 2.401 -6.803 1.00 0.82 H new ATOM 981 N ASP A 67 5.241 -0.658 -5.306 1.00 0.25 N ATOM 982 CA ASP A 67 5.731 -1.741 -6.141 1.00 0.28 C ATOM 983 C ASP A 67 4.579 -2.598 -6.639 1.00 0.31 C ATOM 984 O ASP A 67 4.761 -3.512 -7.443 1.00 0.48 O ATOM 985 CB ASP A 67 6.732 -2.594 -5.368 1.00 0.39 C ATOM 986 CG ASP A 67 7.799 -1.758 -4.701 1.00 1.59 C ATOM 987 OD1 ASP A 67 8.244 -0.767 -5.308 1.00 1.91 O ATOM 988 OD2 ASP A 67 8.215 -2.106 -3.586 1.00 2.28 O ATOM 0 H ASP A 67 5.272 -0.851 -4.305 1.00 0.25 H new ATOM 0 HA ASP A 67 6.235 -1.308 -7.005 1.00 0.28 H new ATOM 0 HB2 ASP A 67 6.204 -3.176 -4.613 1.00 0.39 H new ATOM 0 HB3 ASP A 67 7.202 -3.305 -6.047 1.00 0.39 H new ATOM 993 N CYS A 68 3.392 -2.298 -6.144 1.00 0.24 N ATOM 994 CA CYS A 68 2.182 -2.961 -6.596 1.00 0.26 C ATOM 995 C CYS A 68 1.727 -2.376 -7.925 1.00 0.27 C ATOM 996 O CYS A 68 2.046 -1.233 -8.257 1.00 0.38 O ATOM 997 CB CYS A 68 1.086 -2.800 -5.549 1.00 0.29 C ATOM 998 SG CYS A 68 0.880 -1.104 -4.964 1.00 1.52 S ATOM 0 H CYS A 68 3.240 -1.593 -5.423 1.00 0.24 H new ATOM 0 HA CYS A 68 2.389 -4.022 -6.736 1.00 0.26 H new ATOM 0 HB2 CYS A 68 0.142 -3.147 -5.969 1.00 0.29 H new ATOM 0 HB3 CYS A 68 1.312 -3.443 -4.698 1.00 0.29 H new ATOM 0 HG CYS A 68 -0.067 -0.524 -5.639 1.00 1.52 H new ATOM 1004 N GLY A 69 0.960 -3.179 -8.659 1.00 0.26 N ATOM 1005 CA GLY A 69 0.582 -2.869 -10.031 1.00 0.25 C ATOM 1006 C GLY A 69 -0.088 -1.522 -10.209 1.00 0.22 C ATOM 1007 O GLY A 69 -0.108 -0.984 -11.318 1.00 0.25 O ATOM 0 H GLY A 69 0.584 -4.063 -8.317 1.00 0.26 H new ATOM 0 HA2 GLY A 69 1.474 -2.902 -10.657 1.00 0.25 H new ATOM 0 HA3 GLY A 69 -0.091 -3.646 -10.394 1.00 0.25 H new ATOM 1011 N SER A 70 -0.630 -0.967 -9.132 1.00 0.21 N ATOM 1012 CA SER A 70 -1.284 0.328 -9.198 1.00 0.24 C ATOM 1013 C SER A 70 -0.297 1.477 -9.422 1.00 0.22 C ATOM 1014 O SER A 70 -0.718 2.628 -9.526 1.00 0.25 O ATOM 1015 CB SER A 70 -2.091 0.575 -7.931 1.00 0.31 C ATOM 1016 OG SER A 70 -1.478 -0.044 -6.815 1.00 0.32 O ATOM 0 H SER A 70 -0.628 -1.394 -8.206 1.00 0.21 H new ATOM 0 HA SER A 70 -1.950 0.303 -10.060 1.00 0.24 H new ATOM 0 HB2 SER A 70 -2.180 1.647 -7.754 1.00 0.31 H new ATOM 0 HB3 SER A 70 -3.102 0.188 -8.057 1.00 0.31 H new ATOM 0 HG SER A 70 -2.032 -0.793 -6.511 1.00 0.32 H new ATOM 1022 N TYR A 71 1.004 1.185 -9.498 1.00 0.20 N ATOM 1023 CA TYR A 71 1.983 2.215 -9.847 1.00 0.20 C ATOM 1024 C TYR A 71 1.612 2.838 -11.193 1.00 0.22 C ATOM 1025 O TYR A 71 1.816 4.026 -11.421 1.00 0.29 O ATOM 1026 CB TYR A 71 3.420 1.651 -9.915 1.00 0.21 C ATOM 1027 CG TYR A 71 3.659 0.657 -11.038 1.00 0.25 C ATOM 1028 CD1 TYR A 71 3.304 -0.676 -10.900 1.00 0.27 C ATOM 1029 CD2 TYR A 71 4.241 1.057 -12.237 1.00 0.35 C ATOM 1030 CE1 TYR A 71 3.516 -1.584 -11.919 1.00 0.36 C ATOM 1031 CE2 TYR A 71 4.459 0.153 -13.262 1.00 0.44 C ATOM 1032 CZ TYR A 71 4.092 -1.165 -13.096 1.00 0.43 C ATOM 1033 OH TYR A 71 4.295 -2.071 -14.114 1.00 0.54 O ATOM 0 H TYR A 71 1.398 0.260 -9.326 1.00 0.20 H new ATOM 0 HA TYR A 71 1.962 2.971 -9.063 1.00 0.20 H new ATOM 0 HB2 TYR A 71 4.117 2.482 -10.029 1.00 0.21 H new ATOM 0 HB3 TYR A 71 3.652 1.168 -8.966 1.00 0.21 H new ATOM 0 HD1 TYR A 71 2.853 -1.011 -9.978 1.00 0.27 H new ATOM 0 HD2 TYR A 71 4.527 2.090 -12.370 1.00 0.35 H new ATOM 0 HE1 TYR A 71 3.231 -2.618 -11.792 1.00 0.36 H new ATOM 0 HE2 TYR A 71 4.914 0.478 -14.186 1.00 0.44 H new ATOM 0 HH TYR A 71 4.710 -1.618 -14.878 1.00 0.54 H new ATOM 1043 N ALA A 72 1.046 2.024 -12.075 1.00 0.24 N ATOM 1044 CA ALA A 72 0.642 2.488 -13.393 1.00 0.30 C ATOM 1045 C ALA A 72 -0.835 2.880 -13.411 1.00 0.36 C ATOM 1046 O ALA A 72 -1.403 3.153 -14.468 1.00 0.49 O ATOM 1047 CB ALA A 72 0.920 1.413 -14.432 1.00 0.38 C ATOM 0 H ALA A 72 0.857 1.037 -11.899 1.00 0.24 H new ATOM 0 HA ALA A 72 1.226 3.376 -13.637 1.00 0.30 H new ATOM 0 HB1 ALA A 72 0.614 1.770 -15.415 1.00 0.38 H new ATOM 0 HB2 ALA A 72 1.986 1.185 -14.444 1.00 0.38 H new ATOM 0 HB3 ALA A 72 0.359 0.512 -14.182 1.00 0.38 H new ATOM 1053 N SER A 73 -1.456 2.908 -12.240 1.00 0.32 N ATOM 1054 CA SER A 73 -2.882 3.188 -12.145 1.00 0.44 C ATOM 1055 C SER A 73 -3.160 4.395 -11.250 1.00 0.49 C ATOM 1056 O SER A 73 -4.224 5.003 -11.330 1.00 0.71 O ATOM 1057 CB SER A 73 -3.612 1.961 -11.608 1.00 0.47 C ATOM 1058 OG SER A 73 -3.223 0.795 -12.314 1.00 0.62 O ATOM 0 H SER A 73 -0.996 2.741 -11.345 1.00 0.32 H new ATOM 0 HA SER A 73 -3.247 3.425 -13.144 1.00 0.44 H new ATOM 0 HB2 SER A 73 -3.395 1.839 -10.547 1.00 0.47 H new ATOM 0 HB3 SER A 73 -4.689 2.104 -11.699 1.00 0.47 H new ATOM 0 HG SER A 73 -3.701 0.019 -11.953 1.00 0.62 H new ATOM 1064 N GLY A 74 -2.202 4.734 -10.398 1.00 0.41 N ATOM 1065 CA GLY A 74 -2.386 5.839 -9.477 1.00 0.54 C ATOM 1066 C GLY A 74 -2.580 5.369 -8.049 1.00 0.45 C ATOM 1067 O GLY A 74 -3.019 6.131 -7.189 1.00 0.49 O ATOM 0 H GLY A 74 -1.300 4.263 -10.328 1.00 0.41 H new ATOM 0 HA2 GLY A 74 -1.519 6.498 -9.526 1.00 0.54 H new ATOM 0 HA3 GLY A 74 -3.251 6.426 -9.785 1.00 0.54 H new ATOM 1071 N GLY A 75 -2.257 4.107 -7.794 1.00 0.35 N ATOM 1072 CA GLY A 75 -2.374 3.570 -6.453 1.00 0.32 C ATOM 1073 C GLY A 75 -3.706 2.898 -6.202 1.00 0.20 C ATOM 1074 O GLY A 75 -3.824 2.057 -5.310 1.00 0.21 O ATOM 0 H GLY A 75 -1.916 3.446 -8.492 1.00 0.35 H new ATOM 0 HA2 GLY A 75 -1.572 2.851 -6.284 1.00 0.32 H new ATOM 0 HA3 GLY A 75 -2.237 4.375 -5.731 1.00 0.32 H new ATOM 1078 N ASP A 76 -4.696 3.220 -7.017 1.00 0.35 N ATOM 1079 CA ASP A 76 -6.055 2.776 -6.765 1.00 0.39 C ATOM 1080 C ASP A 76 -6.398 1.552 -7.582 1.00 0.32 C ATOM 1081 O ASP A 76 -5.930 1.376 -8.710 1.00 0.36 O ATOM 1082 CB ASP A 76 -7.071 3.886 -7.045 1.00 0.63 C ATOM 1083 CG ASP A 76 -7.156 4.267 -8.506 1.00 0.77 C ATOM 1084 OD1 ASP A 76 -6.232 4.943 -9.001 1.00 1.65 O ATOM 1085 OD2 ASP A 76 -8.157 3.908 -9.161 1.00 0.80 O ATOM 0 H ASP A 76 -4.584 3.787 -7.858 1.00 0.35 H new ATOM 0 HA ASP A 76 -6.108 2.516 -5.708 1.00 0.39 H new ATOM 0 HB2 ASP A 76 -8.054 3.563 -6.703 1.00 0.63 H new ATOM 0 HB3 ASP A 76 -6.805 4.768 -6.462 1.00 0.63 H new ATOM 1090 N LEU A 77 -7.191 0.694 -6.974 1.00 0.32 N ATOM 1091 CA LEU A 77 -7.718 -0.477 -7.635 1.00 0.30 C ATOM 1092 C LEU A 77 -9.149 -0.209 -8.068 1.00 0.32 C ATOM 1093 O LEU A 77 -9.698 0.857 -7.783 1.00 0.35 O ATOM 1094 CB LEU A 77 -7.643 -1.683 -6.694 1.00 0.32 C ATOM 1095 CG LEU A 77 -6.524 -2.688 -6.989 1.00 0.54 C ATOM 1096 CD1 LEU A 77 -5.232 -1.978 -7.365 1.00 0.94 C ATOM 1097 CD2 LEU A 77 -6.300 -3.585 -5.778 1.00 0.94 C ATOM 0 H LEU A 77 -7.488 0.792 -6.003 1.00 0.32 H new ATOM 0 HA LEU A 77 -7.124 -0.702 -8.521 1.00 0.30 H new ATOM 0 HB2 LEU A 77 -7.519 -1.318 -5.675 1.00 0.32 H new ATOM 0 HB3 LEU A 77 -8.597 -2.209 -6.730 1.00 0.32 H new ATOM 0 HG LEU A 77 -6.829 -3.300 -7.838 1.00 0.54 H new ATOM 0 HD11 LEU A 77 -4.457 -2.717 -7.569 1.00 0.94 H new ATOM 0 HD12 LEU A 77 -5.397 -1.370 -8.255 1.00 0.94 H new ATOM 0 HD13 LEU A 77 -4.916 -1.338 -6.542 1.00 0.94 H new ATOM 0 HD21 LEU A 77 -5.503 -4.297 -5.995 1.00 0.94 H new ATOM 0 HD22 LEU A 77 -6.018 -2.975 -4.920 1.00 0.94 H new ATOM 0 HD23 LEU A 77 -7.218 -4.126 -5.551 1.00 0.94 H new ATOM 1109 N GLY A 78 -9.738 -1.156 -8.764 1.00 0.37 N ATOM 1110 CA GLY A 78 -11.094 -0.988 -9.241 1.00 0.39 C ATOM 1111 C GLY A 78 -12.113 -1.387 -8.200 1.00 0.34 C ATOM 1112 O GLY A 78 -11.879 -1.235 -7.000 1.00 0.44 O ATOM 0 H GLY A 78 -9.303 -2.045 -9.011 1.00 0.37 H new ATOM 0 HA2 GLY A 78 -11.253 0.053 -9.524 1.00 0.39 H new ATOM 0 HA3 GLY A 78 -11.239 -1.588 -10.139 1.00 0.39 H new ATOM 1116 N PHE A 79 -13.244 -1.896 -8.651 1.00 0.47 N ATOM 1117 CA PHE A 79 -14.281 -2.347 -7.745 1.00 0.46 C ATOM 1118 C PHE A 79 -14.102 -3.824 -7.438 1.00 0.45 C ATOM 1119 O PHE A 79 -13.770 -4.618 -8.319 1.00 0.61 O ATOM 1120 CB PHE A 79 -15.664 -2.087 -8.341 1.00 0.61 C ATOM 1121 CG PHE A 79 -15.928 -0.634 -8.610 1.00 1.69 C ATOM 1122 CD1 PHE A 79 -16.094 0.257 -7.563 1.00 2.78 C ATOM 1123 CD2 PHE A 79 -16.001 -0.157 -9.909 1.00 1.73 C ATOM 1124 CE1 PHE A 79 -16.328 1.596 -7.805 1.00 3.87 C ATOM 1125 CE2 PHE A 79 -16.235 1.181 -10.157 1.00 2.78 C ATOM 1126 CZ PHE A 79 -16.399 2.059 -9.105 1.00 3.85 C ATOM 0 H PHE A 79 -13.467 -2.007 -9.640 1.00 0.47 H new ATOM 0 HA PHE A 79 -14.199 -1.785 -6.814 1.00 0.46 H new ATOM 0 HB2 PHE A 79 -15.762 -2.646 -9.272 1.00 0.61 H new ATOM 0 HB3 PHE A 79 -16.424 -2.468 -7.659 1.00 0.61 H new ATOM 0 HD1 PHE A 79 -16.040 -0.100 -6.545 1.00 2.78 H new ATOM 0 HD2 PHE A 79 -15.873 -0.839 -10.736 1.00 1.73 H new ATOM 0 HE1 PHE A 79 -16.455 2.281 -6.979 1.00 3.87 H new ATOM 0 HE2 PHE A 79 -16.290 1.540 -11.174 1.00 2.78 H new ATOM 0 HZ PHE A 79 -16.582 3.106 -9.297 1.00 3.85 H new ATOM 1136 N PHE A 80 -14.312 -4.184 -6.186 1.00 0.40 N ATOM 1137 CA PHE A 80 -14.130 -5.551 -5.731 1.00 0.45 C ATOM 1138 C PHE A 80 -15.040 -5.823 -4.550 1.00 0.46 C ATOM 1139 O PHE A 80 -15.712 -4.922 -4.064 1.00 0.55 O ATOM 1140 CB PHE A 80 -12.666 -5.811 -5.350 1.00 0.45 C ATOM 1141 CG PHE A 80 -11.971 -4.644 -4.701 1.00 0.62 C ATOM 1142 CD1 PHE A 80 -12.337 -4.236 -3.430 1.00 0.89 C ATOM 1143 CD2 PHE A 80 -10.957 -3.956 -5.350 1.00 1.01 C ATOM 1144 CE1 PHE A 80 -11.710 -3.168 -2.825 1.00 1.19 C ATOM 1145 CE2 PHE A 80 -10.331 -2.883 -4.738 1.00 1.28 C ATOM 1146 CZ PHE A 80 -10.669 -2.491 -3.531 1.00 1.31 C ATOM 0 H PHE A 80 -14.613 -3.539 -5.456 1.00 0.40 H new ATOM 0 HA PHE A 80 -14.390 -6.227 -6.546 1.00 0.45 H new ATOM 0 HB2 PHE A 80 -12.627 -6.663 -4.672 1.00 0.45 H new ATOM 0 HB3 PHE A 80 -12.115 -6.092 -6.248 1.00 0.45 H new ATOM 0 HD1 PHE A 80 -13.123 -4.760 -2.906 1.00 0.89 H new ATOM 0 HD2 PHE A 80 -10.653 -4.259 -6.341 1.00 1.01 H new ATOM 0 HE1 PHE A 80 -12.001 -2.849 -1.835 1.00 1.19 H new ATOM 0 HE2 PHE A 80 -9.548 -2.357 -5.265 1.00 1.28 H new ATOM 0 HZ PHE A 80 -10.160 -1.656 -3.072 1.00 1.31 H new ATOM 1156 N SER A 81 -15.072 -7.062 -4.107 1.00 0.50 N ATOM 1157 CA SER A 81 -15.900 -7.443 -2.982 1.00 0.55 C ATOM 1158 C SER A 81 -15.096 -7.428 -1.682 1.00 0.52 C ATOM 1159 O SER A 81 -13.954 -7.894 -1.628 1.00 0.54 O ATOM 1160 CB SER A 81 -16.507 -8.819 -3.241 1.00 0.69 C ATOM 1161 OG SER A 81 -15.519 -9.742 -3.670 1.00 1.17 O ATOM 0 H SER A 81 -14.531 -7.826 -4.511 1.00 0.50 H new ATOM 0 HA SER A 81 -16.707 -6.718 -2.871 1.00 0.55 H new ATOM 0 HB2 SER A 81 -16.982 -9.187 -2.332 1.00 0.69 H new ATOM 0 HB3 SER A 81 -17.287 -8.739 -3.998 1.00 0.69 H new ATOM 0 HG SER A 81 -15.934 -10.616 -3.827 1.00 1.17 H new ATOM 1167 N SER A 82 -15.698 -6.860 -0.645 1.00 0.59 N ATOM 1168 CA SER A 82 -15.066 -6.741 0.657 1.00 0.63 C ATOM 1169 C SER A 82 -14.805 -8.119 1.254 1.00 0.59 C ATOM 1170 O SER A 82 -15.706 -8.956 1.322 1.00 0.63 O ATOM 1171 CB SER A 82 -15.960 -5.923 1.590 1.00 0.77 C ATOM 1172 OG SER A 82 -16.371 -4.712 0.970 1.00 1.19 O ATOM 0 H SER A 82 -16.639 -6.469 -0.686 1.00 0.59 H new ATOM 0 HA SER A 82 -14.109 -6.232 0.538 1.00 0.63 H new ATOM 0 HB2 SER A 82 -16.836 -6.510 1.867 1.00 0.77 H new ATOM 0 HB3 SER A 82 -15.422 -5.700 2.511 1.00 0.77 H new ATOM 0 HG SER A 82 -16.943 -4.207 1.585 1.00 1.19 H new ATOM 1178 N GLY A 83 -13.570 -8.353 1.671 1.00 0.58 N ATOM 1179 CA GLY A 83 -13.214 -9.635 2.242 1.00 0.62 C ATOM 1180 C GLY A 83 -12.440 -10.503 1.273 1.00 0.64 C ATOM 1181 O GLY A 83 -12.076 -11.633 1.600 1.00 0.79 O ATOM 0 H GLY A 83 -12.807 -7.677 1.624 1.00 0.58 H new ATOM 0 HA2 GLY A 83 -12.617 -9.477 3.140 1.00 0.62 H new ATOM 0 HA3 GLY A 83 -14.120 -10.157 2.549 1.00 0.62 H new ATOM 1185 N GLU A 84 -12.185 -9.984 0.077 1.00 0.58 N ATOM 1186 CA GLU A 84 -11.466 -10.741 -0.936 1.00 0.62 C ATOM 1187 C GLU A 84 -10.149 -10.055 -1.307 1.00 0.58 C ATOM 1188 O GLU A 84 -9.955 -9.617 -2.441 1.00 0.87 O ATOM 1189 CB GLU A 84 -12.338 -10.931 -2.178 1.00 0.73 C ATOM 1190 CG GLU A 84 -11.796 -11.977 -3.140 1.00 1.17 C ATOM 1191 CD GLU A 84 -12.602 -12.072 -4.413 1.00 1.26 C ATOM 1192 OE1 GLU A 84 -13.656 -12.743 -4.401 1.00 1.43 O ATOM 1193 OE2 GLU A 84 -12.185 -11.481 -5.432 1.00 1.55 O ATOM 0 H GLU A 84 -12.465 -9.047 -0.212 1.00 0.58 H new ATOM 0 HA GLU A 84 -11.229 -11.721 -0.521 1.00 0.62 H new ATOM 0 HB2 GLU A 84 -13.342 -11.219 -1.868 1.00 0.73 H new ATOM 0 HB3 GLU A 84 -12.427 -9.978 -2.700 1.00 0.73 H new ATOM 0 HG2 GLU A 84 -10.762 -11.736 -3.387 1.00 1.17 H new ATOM 0 HG3 GLU A 84 -11.788 -12.949 -2.647 1.00 1.17 H new ATOM 1200 N MET A 85 -9.261 -9.943 -0.332 1.00 0.47 N ATOM 1201 CA MET A 85 -7.915 -9.440 -0.565 1.00 0.44 C ATOM 1202 C MET A 85 -6.927 -10.267 0.248 1.00 0.47 C ATOM 1203 O MET A 85 -6.889 -11.491 0.134 1.00 0.73 O ATOM 1204 CB MET A 85 -7.800 -7.958 -0.184 1.00 0.39 C ATOM 1205 CG MET A 85 -8.476 -6.999 -1.150 1.00 0.37 C ATOM 1206 SD MET A 85 -7.704 -6.998 -2.782 1.00 0.39 S ATOM 1207 CE MET A 85 -8.622 -5.691 -3.595 1.00 0.39 C ATOM 0 H MET A 85 -9.450 -10.196 0.638 1.00 0.47 H new ATOM 0 HA MET A 85 -7.688 -9.527 -1.628 1.00 0.44 H new ATOM 0 HB2 MET A 85 -8.231 -7.817 0.807 1.00 0.39 H new ATOM 0 HB3 MET A 85 -6.744 -7.696 -0.113 1.00 0.39 H new ATOM 0 HG2 MET A 85 -9.527 -7.270 -1.250 1.00 0.37 H new ATOM 0 HG3 MET A 85 -8.445 -5.991 -0.737 1.00 0.37 H new ATOM 0 HE1 MET A 85 -8.571 -5.828 -4.675 1.00 0.39 H new ATOM 0 HE2 MET A 85 -9.663 -5.723 -3.273 1.00 0.39 H new ATOM 0 HE3 MET A 85 -8.191 -4.725 -3.332 1.00 0.39 H new ATOM 1217 N MET A 86 -6.149 -9.601 1.083 1.00 0.33 N ATOM 1218 CA MET A 86 -5.272 -10.283 2.015 1.00 0.35 C ATOM 1219 C MET A 86 -5.805 -10.064 3.415 1.00 0.40 C ATOM 1220 O MET A 86 -6.444 -9.042 3.664 1.00 0.76 O ATOM 1221 CB MET A 86 -3.840 -9.767 1.914 1.00 0.33 C ATOM 1222 CG MET A 86 -3.234 -9.957 0.538 1.00 0.43 C ATOM 1223 SD MET A 86 -2.705 -11.651 0.231 1.00 1.16 S ATOM 1224 CE MET A 86 -2.146 -11.516 -1.466 1.00 1.39 C ATOM 0 H MET A 86 -6.108 -8.583 1.134 1.00 0.33 H new ATOM 0 HA MET A 86 -5.252 -11.346 1.774 1.00 0.35 H new ATOM 0 HB2 MET A 86 -3.824 -8.707 2.168 1.00 0.33 H new ATOM 0 HB3 MET A 86 -3.222 -10.281 2.650 1.00 0.33 H new ATOM 0 HG2 MET A 86 -3.964 -9.667 -0.218 1.00 0.43 H new ATOM 0 HG3 MET A 86 -2.379 -9.290 0.428 1.00 0.43 H new ATOM 0 HE1 MET A 86 -1.785 -12.486 -1.808 1.00 1.39 H new ATOM 0 HE2 MET A 86 -2.974 -11.194 -2.097 1.00 1.39 H new ATOM 0 HE3 MET A 86 -1.338 -10.786 -1.526 1.00 1.39 H new ATOM 1234 N LYS A 87 -5.559 -10.991 4.320 1.00 0.32 N ATOM 1235 CA LYS A 87 -6.144 -10.917 5.655 1.00 0.32 C ATOM 1236 C LYS A 87 -5.820 -9.590 6.364 1.00 0.27 C ATOM 1237 O LYS A 87 -6.742 -8.906 6.814 1.00 0.27 O ATOM 1238 CB LYS A 87 -5.711 -12.118 6.496 1.00 0.37 C ATOM 1239 CG LYS A 87 -6.357 -12.173 7.873 1.00 0.97 C ATOM 1240 CD LYS A 87 -5.998 -13.456 8.608 1.00 1.46 C ATOM 1241 CE LYS A 87 -6.497 -14.690 7.869 1.00 2.00 C ATOM 1242 NZ LYS A 87 -7.969 -14.661 7.655 1.00 2.37 N ATOM 0 H LYS A 87 -4.962 -11.803 4.162 1.00 0.32 H new ATOM 0 HA LYS A 87 -7.227 -10.948 5.539 1.00 0.32 H new ATOM 0 HB2 LYS A 87 -5.953 -13.033 5.956 1.00 0.37 H new ATOM 0 HB3 LYS A 87 -4.628 -12.094 6.615 1.00 0.37 H new ATOM 0 HG2 LYS A 87 -6.035 -11.314 8.461 1.00 0.97 H new ATOM 0 HG3 LYS A 87 -7.440 -12.102 7.771 1.00 0.97 H new ATOM 0 HD2 LYS A 87 -4.916 -13.516 8.727 1.00 1.46 H new ATOM 0 HD3 LYS A 87 -6.428 -13.434 9.609 1.00 1.46 H new ATOM 0 HE2 LYS A 87 -5.993 -14.763 6.905 1.00 2.00 H new ATOM 0 HE3 LYS A 87 -6.232 -15.583 8.436 1.00 2.00 H new ATOM 0 HZ1 LYS A 87 -8.290 -15.592 7.320 1.00 2.37 H new ATOM 0 HZ2 LYS A 87 -8.446 -14.432 8.551 1.00 2.37 H new ATOM 0 HZ3 LYS A 87 -8.202 -13.939 6.944 1.00 2.37 H new ATOM 1256 N PRO A 88 -4.536 -9.168 6.447 1.00 0.26 N ATOM 1257 CA PRO A 88 -4.182 -7.929 7.142 1.00 0.25 C ATOM 1258 C PRO A 88 -4.479 -6.698 6.289 1.00 0.22 C ATOM 1259 O PRO A 88 -4.668 -5.594 6.801 1.00 0.25 O ATOM 1260 CB PRO A 88 -2.682 -8.083 7.381 1.00 0.27 C ATOM 1261 CG PRO A 88 -2.201 -8.917 6.244 1.00 0.27 C ATOM 1262 CD PRO A 88 -3.342 -9.829 5.871 1.00 0.27 C ATOM 0 HA PRO A 88 -4.753 -7.782 8.059 1.00 0.25 H new ATOM 0 HB2 PRO A 88 -2.183 -7.114 7.400 1.00 0.27 H new ATOM 0 HB3 PRO A 88 -2.481 -8.564 8.338 1.00 0.27 H new ATOM 0 HG2 PRO A 88 -1.912 -8.292 5.399 1.00 0.27 H new ATOM 0 HG3 PRO A 88 -1.321 -9.493 6.530 1.00 0.27 H new ATOM 0 HD2 PRO A 88 -3.429 -9.937 4.790 1.00 0.27 H new ATOM 0 HD3 PRO A 88 -3.203 -10.829 6.281 1.00 0.27 H new ATOM 1270 N PHE A 89 -4.532 -6.917 4.983 1.00 0.19 N ATOM 1271 CA PHE A 89 -4.810 -5.864 4.019 1.00 0.17 C ATOM 1272 C PHE A 89 -6.272 -5.441 4.126 1.00 0.18 C ATOM 1273 O PHE A 89 -6.577 -4.274 4.356 1.00 0.17 O ATOM 1274 CB PHE A 89 -4.499 -6.399 2.612 1.00 0.19 C ATOM 1275 CG PHE A 89 -4.707 -5.439 1.468 1.00 0.18 C ATOM 1276 CD1 PHE A 89 -5.974 -5.214 0.950 1.00 0.22 C ATOM 1277 CD2 PHE A 89 -3.628 -4.797 0.882 1.00 0.19 C ATOM 1278 CE1 PHE A 89 -6.161 -4.362 -0.122 1.00 0.22 C ATOM 1279 CE2 PHE A 89 -3.810 -3.950 -0.196 1.00 0.20 C ATOM 1280 CZ PHE A 89 -5.079 -3.731 -0.698 1.00 0.19 C ATOM 0 H PHE A 89 -4.383 -7.834 4.561 1.00 0.19 H new ATOM 0 HA PHE A 89 -4.189 -4.991 4.219 1.00 0.17 H new ATOM 0 HB2 PHE A 89 -3.461 -6.731 2.595 1.00 0.19 H new ATOM 0 HB3 PHE A 89 -5.118 -7.279 2.437 1.00 0.19 H new ATOM 0 HD1 PHE A 89 -6.826 -5.711 1.390 1.00 0.22 H new ATOM 0 HD2 PHE A 89 -2.634 -4.960 1.271 1.00 0.19 H new ATOM 0 HE1 PHE A 89 -7.155 -4.191 -0.509 1.00 0.22 H new ATOM 0 HE2 PHE A 89 -2.960 -3.459 -0.646 1.00 0.20 H new ATOM 0 HZ PHE A 89 -5.222 -3.068 -1.538 1.00 0.19 H new ATOM 1290 N GLU A 90 -7.163 -6.415 3.984 1.00 0.21 N ATOM 1291 CA GLU A 90 -8.599 -6.182 4.057 1.00 0.24 C ATOM 1292 C GLU A 90 -8.984 -5.744 5.462 1.00 0.25 C ATOM 1293 O GLU A 90 -9.875 -4.914 5.643 1.00 0.27 O ATOM 1294 CB GLU A 90 -9.340 -7.460 3.658 1.00 0.29 C ATOM 1295 CG GLU A 90 -10.802 -7.258 3.282 1.00 0.34 C ATOM 1296 CD GLU A 90 -11.733 -7.231 4.479 1.00 1.41 C ATOM 1297 OE1 GLU A 90 -11.734 -8.211 5.252 1.00 2.12 O ATOM 1298 OE2 GLU A 90 -12.490 -6.254 4.628 1.00 1.78 O ATOM 0 H GLU A 90 -6.910 -7.388 3.815 1.00 0.21 H new ATOM 0 HA GLU A 90 -8.879 -5.386 3.367 1.00 0.24 H new ATOM 0 HB2 GLU A 90 -8.822 -7.916 2.814 1.00 0.29 H new ATOM 0 HB3 GLU A 90 -9.286 -8.168 4.485 1.00 0.29 H new ATOM 0 HG2 GLU A 90 -10.902 -6.322 2.732 1.00 0.34 H new ATOM 0 HG3 GLU A 90 -11.110 -8.058 2.609 1.00 0.34 H new ATOM 1305 N ASP A 91 -8.283 -6.299 6.447 1.00 0.25 N ATOM 1306 CA ASP A 91 -8.436 -5.885 7.843 1.00 0.29 C ATOM 1307 C ASP A 91 -8.309 -4.374 7.973 1.00 0.25 C ATOM 1308 O ASP A 91 -8.995 -3.747 8.779 1.00 0.30 O ATOM 1309 CB ASP A 91 -7.385 -6.564 8.727 1.00 0.35 C ATOM 1310 CG ASP A 91 -7.357 -6.003 10.137 1.00 0.48 C ATOM 1311 OD1 ASP A 91 -8.225 -6.382 10.953 1.00 0.61 O ATOM 1312 OD2 ASP A 91 -6.460 -5.186 10.440 1.00 0.54 O ATOM 0 H ASP A 91 -7.598 -7.042 6.305 1.00 0.25 H new ATOM 0 HA ASP A 91 -9.429 -6.188 8.174 1.00 0.29 H new ATOM 0 HB2 ASP A 91 -7.588 -7.634 8.770 1.00 0.35 H new ATOM 0 HB3 ASP A 91 -6.401 -6.444 8.273 1.00 0.35 H new ATOM 1317 N ALA A 92 -7.436 -3.792 7.166 1.00 0.20 N ATOM 1318 CA ALA A 92 -7.236 -2.357 7.179 1.00 0.19 C ATOM 1319 C ALA A 92 -8.293 -1.650 6.340 1.00 0.18 C ATOM 1320 O ALA A 92 -8.771 -0.586 6.716 1.00 0.21 O ATOM 1321 CB ALA A 92 -5.844 -2.014 6.683 1.00 0.22 C ATOM 0 H ALA A 92 -6.856 -4.294 6.494 1.00 0.20 H new ATOM 0 HA ALA A 92 -7.335 -2.009 8.207 1.00 0.19 H new ATOM 0 HB1 ALA A 92 -5.708 -0.933 6.698 1.00 0.22 H new ATOM 0 HB2 ALA A 92 -5.102 -2.482 7.330 1.00 0.22 H new ATOM 0 HB3 ALA A 92 -5.720 -2.381 5.664 1.00 0.22 H new ATOM 1327 N VAL A 93 -8.680 -2.261 5.222 1.00 0.18 N ATOM 1328 CA VAL A 93 -9.643 -1.653 4.303 1.00 0.19 C ATOM 1329 C VAL A 93 -10.992 -1.461 4.989 1.00 0.19 C ATOM 1330 O VAL A 93 -11.651 -0.436 4.824 1.00 0.20 O ATOM 1331 CB VAL A 93 -9.856 -2.503 3.027 1.00 0.21 C ATOM 1332 CG1 VAL A 93 -10.653 -1.727 1.993 1.00 0.25 C ATOM 1333 CG2 VAL A 93 -8.529 -2.962 2.442 1.00 0.21 C ATOM 0 H VAL A 93 -8.342 -3.178 4.929 1.00 0.18 H new ATOM 0 HA VAL A 93 -9.225 -0.689 4.012 1.00 0.19 H new ATOM 0 HB VAL A 93 -10.423 -3.390 3.309 1.00 0.21 H new ATOM 0 HG11 VAL A 93 -10.792 -2.342 1.104 1.00 0.25 H new ATOM 0 HG12 VAL A 93 -11.626 -1.463 2.407 1.00 0.25 H new ATOM 0 HG13 VAL A 93 -10.114 -0.818 1.725 1.00 0.25 H new ATOM 0 HG21 VAL A 93 -8.712 -3.557 1.547 1.00 0.21 H new ATOM 0 HG22 VAL A 93 -7.925 -2.092 2.183 1.00 0.21 H new ATOM 0 HG23 VAL A 93 -7.997 -3.567 3.177 1.00 0.21 H new ATOM 1343 N ARG A 94 -11.390 -2.455 5.766 1.00 0.23 N ATOM 1344 CA ARG A 94 -12.638 -2.393 6.512 1.00 0.27 C ATOM 1345 C ARG A 94 -12.499 -1.463 7.712 1.00 0.25 C ATOM 1346 O ARG A 94 -13.491 -1.042 8.309 1.00 0.32 O ATOM 1347 CB ARG A 94 -13.016 -3.788 6.996 1.00 0.41 C ATOM 1348 CG ARG A 94 -12.030 -4.348 8.001 1.00 0.59 C ATOM 1349 CD ARG A 94 -12.292 -5.807 8.295 1.00 1.03 C ATOM 1350 NE ARG A 94 -11.333 -6.334 9.259 1.00 0.98 N ATOM 1351 CZ ARG A 94 -11.193 -7.630 9.535 1.00 1.69 C ATOM 1352 NH1 ARG A 94 -11.965 -8.528 8.934 1.00 2.59 N ATOM 1353 NH2 ARG A 94 -10.275 -8.030 10.402 1.00 1.70 N ATOM 0 H ARG A 94 -10.864 -3.319 5.897 1.00 0.23 H new ATOM 0 HA ARG A 94 -13.417 -2.007 5.854 1.00 0.27 H new ATOM 0 HB2 ARG A 94 -14.008 -3.755 7.447 1.00 0.41 H new ATOM 0 HB3 ARG A 94 -13.077 -4.460 6.140 1.00 0.41 H new ATOM 0 HG2 ARG A 94 -11.016 -4.231 7.619 1.00 0.59 H new ATOM 0 HG3 ARG A 94 -12.090 -3.775 8.926 1.00 0.59 H new ATOM 0 HD2 ARG A 94 -13.304 -5.926 8.683 1.00 1.03 H new ATOM 0 HD3 ARG A 94 -12.235 -6.382 7.371 1.00 1.03 H new ATOM 0 HE ARG A 94 -10.734 -5.671 9.751 1.00 0.98 H new ATOM 0 HH11 ARG A 94 -12.668 -8.226 8.259 1.00 2.59 H new ATOM 0 HH12 ARG A 94 -11.855 -9.519 9.147 1.00 2.59 H new ATOM 0 HH21 ARG A 94 -9.673 -7.345 10.860 1.00 1.70 H new ATOM 0 HH22 ARG A 94 -10.170 -9.023 10.612 1.00 1.70 H new ATOM 1367 N ALA A 95 -11.262 -1.142 8.058 1.00 0.23 N ATOM 1368 CA ALA A 95 -10.984 -0.352 9.246 1.00 0.25 C ATOM 1369 C ALA A 95 -10.835 1.126 8.902 1.00 0.26 C ATOM 1370 O ALA A 95 -10.346 1.922 9.708 1.00 0.47 O ATOM 1371 CB ALA A 95 -9.745 -0.881 9.949 1.00 0.26 C ATOM 0 H ALA A 95 -10.433 -1.417 7.531 1.00 0.23 H new ATOM 0 HA ALA A 95 -11.831 -0.443 9.927 1.00 0.25 H new ATOM 0 HB1 ALA A 95 -9.547 -0.281 10.837 1.00 0.26 H new ATOM 0 HB2 ALA A 95 -9.907 -1.919 10.240 1.00 0.26 H new ATOM 0 HB3 ALA A 95 -8.891 -0.823 9.274 1.00 0.26 H new ATOM 1377 N LEU A 96 -11.263 1.485 7.701 1.00 0.19 N ATOM 1378 CA LEU A 96 -11.246 2.870 7.254 1.00 0.19 C ATOM 1379 C LEU A 96 -12.380 3.122 6.275 1.00 0.21 C ATOM 1380 O LEU A 96 -12.837 2.208 5.594 1.00 0.28 O ATOM 1381 CB LEU A 96 -9.896 3.214 6.614 1.00 0.28 C ATOM 1382 CG LEU A 96 -9.288 2.141 5.712 1.00 0.15 C ATOM 1383 CD1 LEU A 96 -9.895 2.196 4.324 1.00 0.27 C ATOM 1384 CD2 LEU A 96 -7.785 2.301 5.641 1.00 0.28 C ATOM 0 H LEU A 96 -11.630 0.829 7.012 1.00 0.19 H new ATOM 0 HA LEU A 96 -11.387 3.515 8.121 1.00 0.19 H new ATOM 0 HB2 LEU A 96 -10.016 4.126 6.030 1.00 0.28 H new ATOM 0 HB3 LEU A 96 -9.185 3.436 7.410 1.00 0.28 H new ATOM 0 HG LEU A 96 -9.513 1.165 6.142 1.00 0.15 H new ATOM 0 HD11 LEU A 96 -9.447 1.423 3.700 1.00 0.27 H new ATOM 0 HD12 LEU A 96 -10.970 2.030 4.390 1.00 0.27 H new ATOM 0 HD13 LEU A 96 -9.705 3.174 3.882 1.00 0.27 H new ATOM 0 HD21 LEU A 96 -7.367 1.529 4.995 1.00 0.28 H new ATOM 0 HD22 LEU A 96 -7.542 3.284 5.236 1.00 0.28 H new ATOM 0 HD23 LEU A 96 -7.361 2.206 6.641 1.00 0.28 H new ATOM 1396 N LYS A 97 -12.840 4.359 6.215 1.00 0.24 N ATOM 1397 CA LYS A 97 -13.915 4.726 5.311 1.00 0.31 C ATOM 1398 C LYS A 97 -13.326 5.444 4.098 1.00 0.28 C ATOM 1399 O LYS A 97 -12.115 5.653 4.042 1.00 0.25 O ATOM 1400 CB LYS A 97 -14.936 5.610 6.044 1.00 0.42 C ATOM 1401 CG LYS A 97 -16.253 5.814 5.306 1.00 0.62 C ATOM 1402 CD LYS A 97 -16.990 4.501 5.079 1.00 0.97 C ATOM 1403 CE LYS A 97 -18.294 4.716 4.324 1.00 1.02 C ATOM 1404 NZ LYS A 97 -19.252 5.564 5.082 1.00 1.61 N ATOM 0 H LYS A 97 -12.485 5.128 6.783 1.00 0.24 H new ATOM 0 HA LYS A 97 -14.435 3.832 4.966 1.00 0.31 H new ATOM 0 HB2 LYS A 97 -15.146 5.167 7.017 1.00 0.42 H new ATOM 0 HB3 LYS A 97 -14.485 6.585 6.229 1.00 0.42 H new ATOM 0 HG2 LYS A 97 -16.887 6.492 5.877 1.00 0.62 H new ATOM 0 HG3 LYS A 97 -16.060 6.292 4.346 1.00 0.62 H new ATOM 0 HD2 LYS A 97 -16.353 3.817 4.519 1.00 0.97 H new ATOM 0 HD3 LYS A 97 -17.198 4.029 6.039 1.00 0.97 H new ATOM 0 HE2 LYS A 97 -18.082 5.183 3.362 1.00 1.02 H new ATOM 0 HE3 LYS A 97 -18.754 3.750 4.115 1.00 1.02 H new ATOM 0 HZ1 LYS A 97 -20.184 5.531 4.622 1.00 1.61 H new ATOM 0 HZ2 LYS A 97 -19.334 5.210 6.056 1.00 1.61 H new ATOM 0 HZ3 LYS A 97 -18.909 6.546 5.098 1.00 1.61 H new ATOM 1418 N ILE A 98 -14.163 5.774 3.121 1.00 0.32 N ATOM 1419 CA ILE A 98 -13.733 6.537 1.951 1.00 0.32 C ATOM 1420 C ILE A 98 -12.877 7.741 2.348 1.00 0.32 C ATOM 1421 O ILE A 98 -13.346 8.666 3.016 1.00 0.37 O ATOM 1422 CB ILE A 98 -14.949 7.022 1.132 1.00 0.38 C ATOM 1423 CG1 ILE A 98 -15.793 5.825 0.686 1.00 0.41 C ATOM 1424 CG2 ILE A 98 -14.494 7.840 -0.070 1.00 0.50 C ATOM 1425 CD1 ILE A 98 -17.057 6.205 -0.057 1.00 0.90 C ATOM 0 H ILE A 98 -15.152 5.523 3.115 1.00 0.32 H new ATOM 0 HA ILE A 98 -13.129 5.867 1.338 1.00 0.32 H new ATOM 0 HB ILE A 98 -15.563 7.664 1.764 1.00 0.38 H new ATOM 0 HG12 ILE A 98 -15.186 5.184 0.046 1.00 0.41 H new ATOM 0 HG13 ILE A 98 -16.062 5.236 1.563 1.00 0.41 H new ATOM 0 HG21 ILE A 98 -15.365 8.173 -0.634 1.00 0.50 H new ATOM 0 HG22 ILE A 98 -13.931 8.708 0.273 1.00 0.50 H new ATOM 0 HG23 ILE A 98 -13.860 7.225 -0.709 1.00 0.50 H new ATOM 0 HD11 ILE A 98 -17.599 5.302 -0.339 1.00 0.90 H new ATOM 0 HD12 ILE A 98 -17.686 6.820 0.586 1.00 0.90 H new ATOM 0 HD13 ILE A 98 -16.797 6.767 -0.954 1.00 0.90 H new ATOM 1437 N GLY A 99 -11.615 7.704 1.948 1.00 0.30 N ATOM 1438 CA GLY A 99 -10.708 8.799 2.232 1.00 0.32 C ATOM 1439 C GLY A 99 -9.758 8.518 3.387 1.00 0.32 C ATOM 1440 O GLY A 99 -8.754 9.216 3.547 1.00 0.46 O ATOM 0 H GLY A 99 -11.200 6.931 1.429 1.00 0.30 H new ATOM 0 HA2 GLY A 99 -10.125 9.018 1.338 1.00 0.32 H new ATOM 0 HA3 GLY A 99 -11.290 9.692 2.460 1.00 0.32 H new ATOM 1444 N ASP A 100 -10.058 7.504 4.191 1.00 0.21 N ATOM 1445 CA ASP A 100 -9.230 7.193 5.350 1.00 0.19 C ATOM 1446 C ASP A 100 -8.122 6.228 4.964 1.00 0.15 C ATOM 1447 O ASP A 100 -8.340 5.312 4.168 1.00 0.15 O ATOM 1448 CB ASP A 100 -10.063 6.604 6.492 1.00 0.22 C ATOM 1449 CG ASP A 100 -11.061 7.582 7.071 1.00 0.32 C ATOM 1450 OD1 ASP A 100 -10.637 8.634 7.600 1.00 0.46 O ATOM 1451 OD2 ASP A 100 -12.275 7.294 7.026 1.00 0.37 O ATOM 0 H ASP A 100 -10.861 6.888 4.063 1.00 0.21 H new ATOM 0 HA ASP A 100 -8.788 8.125 5.701 1.00 0.19 H new ATOM 0 HB2 ASP A 100 -10.595 5.725 6.128 1.00 0.22 H new ATOM 0 HB3 ASP A 100 -9.394 6.267 7.284 1.00 0.22 H new ATOM 1456 N ILE A 101 -6.939 6.440 5.526 1.00 0.18 N ATOM 1457 CA ILE A 101 -5.770 5.633 5.194 1.00 0.16 C ATOM 1458 C ILE A 101 -5.347 4.789 6.392 1.00 0.16 C ATOM 1459 O ILE A 101 -5.510 5.199 7.542 1.00 0.18 O ATOM 1460 CB ILE A 101 -4.579 6.520 4.774 1.00 0.19 C ATOM 1461 CG1 ILE A 101 -5.052 7.676 3.890 1.00 0.23 C ATOM 1462 CG2 ILE A 101 -3.536 5.688 4.038 1.00 0.19 C ATOM 1463 CD1 ILE A 101 -3.971 8.690 3.591 1.00 0.21 C ATOM 0 H ILE A 101 -6.762 7.168 6.218 1.00 0.18 H new ATOM 0 HA ILE A 101 -6.048 4.987 4.361 1.00 0.16 H new ATOM 0 HB ILE A 101 -4.127 6.937 5.674 1.00 0.19 H new ATOM 0 HG12 ILE A 101 -5.430 7.273 2.951 1.00 0.23 H new ATOM 0 HG13 ILE A 101 -5.886 8.179 4.380 1.00 0.23 H new ATOM 0 HG21 ILE A 101 -2.701 6.326 3.747 1.00 0.19 H new ATOM 0 HG22 ILE A 101 -3.176 4.894 4.693 1.00 0.19 H new ATOM 0 HG23 ILE A 101 -3.984 5.248 3.147 1.00 0.19 H new ATOM 0 HD11 ILE A 101 -4.378 9.480 2.960 1.00 0.21 H new ATOM 0 HD12 ILE A 101 -3.608 9.121 4.524 1.00 0.21 H new ATOM 0 HD13 ILE A 101 -3.146 8.201 3.073 1.00 0.21 H new ATOM 1475 N SER A 102 -4.805 3.615 6.118 1.00 0.16 N ATOM 1476 CA SER A 102 -4.362 2.706 7.161 1.00 0.19 C ATOM 1477 C SER A 102 -2.907 2.978 7.529 1.00 0.18 C ATOM 1478 O SER A 102 -2.171 3.606 6.763 1.00 0.22 O ATOM 1479 CB SER A 102 -4.508 1.263 6.674 1.00 0.25 C ATOM 1480 OG SER A 102 -3.653 1.006 5.572 1.00 0.92 O ATOM 0 H SER A 102 -4.660 3.266 5.171 1.00 0.16 H new ATOM 0 HA SER A 102 -4.979 2.861 8.046 1.00 0.19 H new ATOM 0 HB2 SER A 102 -4.274 0.576 7.487 1.00 0.25 H new ATOM 0 HB3 SER A 102 -5.543 1.076 6.387 1.00 0.25 H new ATOM 0 HG SER A 102 -3.142 0.187 5.739 1.00 0.92 H new ATOM 1486 N PRO A 103 -2.475 2.530 8.716 1.00 0.21 N ATOM 1487 CA PRO A 103 -1.066 2.567 9.099 1.00 0.23 C ATOM 1488 C PRO A 103 -0.267 1.493 8.367 1.00 0.20 C ATOM 1489 O PRO A 103 -0.834 0.713 7.598 1.00 0.27 O ATOM 1490 CB PRO A 103 -1.098 2.283 10.600 1.00 0.31 C ATOM 1491 CG PRO A 103 -2.328 1.467 10.795 1.00 0.34 C ATOM 1492 CD PRO A 103 -3.324 1.969 9.785 1.00 0.28 C ATOM 0 HA PRO A 103 -0.588 3.514 8.850 1.00 0.23 H new ATOM 0 HB2 PRO A 103 -0.207 1.743 10.922 1.00 0.31 H new ATOM 0 HB3 PRO A 103 -1.137 3.206 11.179 1.00 0.31 H new ATOM 0 HG2 PRO A 103 -2.121 0.407 10.645 1.00 0.34 H new ATOM 0 HG3 PRO A 103 -2.712 1.576 11.809 1.00 0.34 H new ATOM 0 HD2 PRO A 103 -3.959 1.165 9.413 1.00 0.28 H new ATOM 0 HD3 PRO A 103 -3.983 2.724 10.212 1.00 0.28 H new ATOM 1500 N ILE A 104 1.046 1.480 8.581 1.00 0.17 N ATOM 1501 CA ILE A 104 1.911 0.436 8.031 1.00 0.15 C ATOM 1502 C ILE A 104 1.371 -0.960 8.339 1.00 0.14 C ATOM 1503 O ILE A 104 1.443 -1.426 9.475 1.00 0.20 O ATOM 1504 CB ILE A 104 3.346 0.519 8.597 1.00 0.15 C ATOM 1505 CG1 ILE A 104 3.868 1.955 8.544 1.00 0.17 C ATOM 1506 CG2 ILE A 104 4.271 -0.419 7.830 1.00 0.15 C ATOM 1507 CD1 ILE A 104 3.829 2.568 7.163 1.00 0.17 C ATOM 0 H ILE A 104 1.537 2.183 9.133 1.00 0.17 H new ATOM 0 HA ILE A 104 1.929 0.603 6.954 1.00 0.15 H new ATOM 0 HB ILE A 104 3.324 0.207 9.641 1.00 0.15 H new ATOM 0 HG12 ILE A 104 3.277 2.572 9.222 1.00 0.17 H new ATOM 0 HG13 ILE A 104 4.895 1.972 8.910 1.00 0.17 H new ATOM 0 HG21 ILE A 104 5.279 -0.351 8.239 1.00 0.15 H new ATOM 0 HG22 ILE A 104 3.910 -1.443 7.924 1.00 0.15 H new ATOM 0 HG23 ILE A 104 4.286 -0.135 6.778 1.00 0.15 H new ATOM 0 HD11 ILE A 104 4.215 3.587 7.206 1.00 0.17 H new ATOM 0 HD12 ILE A 104 4.443 1.976 6.485 1.00 0.17 H new ATOM 0 HD13 ILE A 104 2.801 2.584 6.801 1.00 0.17 H new ATOM 1519 N VAL A 105 0.828 -1.613 7.327 1.00 0.13 N ATOM 1520 CA VAL A 105 0.373 -2.986 7.460 1.00 0.15 C ATOM 1521 C VAL A 105 1.246 -3.905 6.608 1.00 0.15 C ATOM 1522 O VAL A 105 1.395 -3.699 5.401 1.00 0.17 O ATOM 1523 CB VAL A 105 -1.124 -3.138 7.076 1.00 0.21 C ATOM 1524 CG1 VAL A 105 -1.429 -2.452 5.758 1.00 1.04 C ATOM 1525 CG2 VAL A 105 -1.527 -4.604 7.005 1.00 1.04 C ATOM 0 H VAL A 105 0.691 -1.212 6.399 1.00 0.13 H new ATOM 0 HA VAL A 105 0.465 -3.273 8.507 1.00 0.15 H new ATOM 0 HB VAL A 105 -1.708 -2.654 7.859 1.00 0.21 H new ATOM 0 HG11 VAL A 105 -2.485 -2.577 5.518 1.00 1.04 H new ATOM 0 HG12 VAL A 105 -1.199 -1.390 5.839 1.00 1.04 H new ATOM 0 HG13 VAL A 105 -0.823 -2.895 4.968 1.00 1.04 H new ATOM 0 HG21 VAL A 105 -2.580 -4.679 6.734 1.00 1.04 H new ATOM 0 HG22 VAL A 105 -0.922 -5.112 6.254 1.00 1.04 H new ATOM 0 HG23 VAL A 105 -1.368 -5.073 7.976 1.00 1.04 H new ATOM 1535 N GLN A 106 1.850 -4.898 7.243 1.00 0.18 N ATOM 1536 CA GLN A 106 2.711 -5.827 6.536 1.00 0.20 C ATOM 1537 C GLN A 106 1.894 -6.966 5.940 1.00 0.23 C ATOM 1538 O GLN A 106 0.842 -7.334 6.460 1.00 0.29 O ATOM 1539 CB GLN A 106 3.788 -6.398 7.458 1.00 0.24 C ATOM 1540 CG GLN A 106 4.792 -5.374 7.962 1.00 0.25 C ATOM 1541 CD GLN A 106 5.995 -6.027 8.618 1.00 0.30 C ATOM 1542 OE1 GLN A 106 6.001 -6.274 9.821 1.00 0.55 O ATOM 1543 NE2 GLN A 106 7.024 -6.309 7.826 1.00 0.28 N ATOM 0 H GLN A 106 1.759 -5.079 8.243 1.00 0.18 H new ATOM 0 HA GLN A 106 3.199 -5.275 5.733 1.00 0.20 H new ATOM 0 HB2 GLN A 106 3.304 -6.866 8.315 1.00 0.24 H new ATOM 0 HB3 GLN A 106 4.325 -7.184 6.926 1.00 0.24 H new ATOM 0 HG2 GLN A 106 5.126 -4.754 7.130 1.00 0.25 H new ATOM 0 HG3 GLN A 106 4.305 -4.711 8.677 1.00 0.25 H new ATOM 0 HE21 GLN A 106 6.978 -6.087 6.831 1.00 0.28 H new ATOM 0 HE22 GLN A 106 7.860 -6.747 8.213 1.00 0.28 H new ATOM 1552 N THR A 107 2.392 -7.511 4.849 1.00 0.22 N ATOM 1553 CA THR A 107 1.749 -8.622 4.173 1.00 0.27 C ATOM 1554 C THR A 107 2.741 -9.761 3.985 1.00 0.34 C ATOM 1555 O THR A 107 3.857 -9.698 4.503 1.00 0.37 O ATOM 1556 CB THR A 107 1.201 -8.187 2.805 1.00 0.26 C ATOM 1557 OG1 THR A 107 2.162 -7.353 2.143 1.00 0.22 O ATOM 1558 CG2 THR A 107 -0.121 -7.445 2.957 1.00 0.27 C ATOM 0 H THR A 107 3.255 -7.197 4.405 1.00 0.22 H new ATOM 0 HA THR A 107 0.917 -8.961 4.790 1.00 0.27 H new ATOM 0 HB THR A 107 1.020 -9.079 2.205 1.00 0.26 H new ATOM 0 HG1 THR A 107 1.715 -6.555 1.792 1.00 0.22 H new ATOM 0 HG21 THR A 107 -0.487 -7.148 1.974 1.00 0.27 H new ATOM 0 HG22 THR A 107 -0.852 -8.098 3.434 1.00 0.27 H new ATOM 0 HG23 THR A 107 0.029 -6.557 3.572 1.00 0.27 H new ATOM 1566 N ASP A 108 2.348 -10.792 3.251 1.00 0.40 N ATOM 1567 CA ASP A 108 3.227 -11.929 3.012 1.00 0.49 C ATOM 1568 C ASP A 108 4.470 -11.491 2.252 1.00 0.45 C ATOM 1569 O ASP A 108 5.588 -11.842 2.621 1.00 0.53 O ATOM 1570 CB ASP A 108 2.509 -13.028 2.227 1.00 0.60 C ATOM 1571 CG ASP A 108 1.276 -13.542 2.935 1.00 1.37 C ATOM 1572 OD1 ASP A 108 1.425 -14.218 3.973 1.00 2.16 O ATOM 1573 OD2 ASP A 108 0.153 -13.286 2.453 1.00 1.67 O ATOM 0 H ASP A 108 1.430 -10.865 2.812 1.00 0.40 H new ATOM 0 HA ASP A 108 3.519 -12.329 3.983 1.00 0.49 H new ATOM 0 HB2 ASP A 108 2.226 -12.643 1.247 1.00 0.60 H new ATOM 0 HB3 ASP A 108 3.197 -13.856 2.058 1.00 0.60 H new ATOM 1578 N SER A 109 4.274 -10.710 1.199 1.00 0.39 N ATOM 1579 CA SER A 109 5.392 -10.254 0.392 1.00 0.43 C ATOM 1580 C SER A 109 6.093 -9.070 1.056 1.00 0.53 C ATOM 1581 O SER A 109 7.264 -9.166 1.402 1.00 1.09 O ATOM 1582 CB SER A 109 4.916 -9.875 -1.015 1.00 0.47 C ATOM 1583 OG SER A 109 6.013 -9.598 -1.872 1.00 0.60 O ATOM 0 H SER A 109 3.360 -10.383 0.887 1.00 0.39 H new ATOM 0 HA SER A 109 6.109 -11.071 0.308 1.00 0.43 H new ATOM 0 HB2 SER A 109 4.322 -10.688 -1.432 1.00 0.47 H new ATOM 0 HB3 SER A 109 4.266 -9.002 -0.959 1.00 0.47 H new ATOM 0 HG SER A 109 6.814 -10.050 -1.534 1.00 0.60 H new ATOM 1589 N GLY A 110 5.381 -7.974 1.292 1.00 0.22 N ATOM 1590 CA GLY A 110 6.043 -6.810 1.829 1.00 0.19 C ATOM 1591 C GLY A 110 5.139 -5.925 2.651 1.00 0.16 C ATOM 1592 O GLY A 110 4.412 -6.393 3.523 1.00 0.24 O ATOM 0 H GLY A 110 4.380 -7.874 1.124 1.00 0.22 H new ATOM 0 HA2 GLY A 110 6.881 -7.132 2.447 1.00 0.19 H new ATOM 0 HA3 GLY A 110 6.458 -6.227 1.007 1.00 0.19 H new ATOM 1596 N LEU A 111 5.172 -4.646 2.342 1.00 0.12 N ATOM 1597 CA LEU A 111 4.518 -3.623 3.151 1.00 0.11 C ATOM 1598 C LEU A 111 3.414 -2.927 2.376 1.00 0.11 C ATOM 1599 O LEU A 111 3.508 -2.771 1.161 1.00 0.13 O ATOM 1600 CB LEU A 111 5.546 -2.589 3.598 1.00 0.12 C ATOM 1601 CG LEU A 111 6.092 -2.758 5.015 1.00 0.14 C ATOM 1602 CD1 LEU A 111 6.703 -4.134 5.212 1.00 0.15 C ATOM 1603 CD2 LEU A 111 7.118 -1.680 5.295 1.00 0.19 C ATOM 0 H LEU A 111 5.653 -4.279 1.521 1.00 0.12 H new ATOM 0 HA LEU A 111 4.074 -4.112 4.018 1.00 0.11 H new ATOM 0 HB2 LEU A 111 6.384 -2.614 2.901 1.00 0.12 H new ATOM 0 HB3 LEU A 111 5.095 -1.600 3.519 1.00 0.12 H new ATOM 0 HG LEU A 111 5.264 -2.662 5.717 1.00 0.14 H new ATOM 0 HD11 LEU A 111 7.082 -4.221 6.230 1.00 0.15 H new ATOM 0 HD12 LEU A 111 5.944 -4.897 5.041 1.00 0.15 H new ATOM 0 HD13 LEU A 111 7.522 -4.273 4.507 1.00 0.15 H new ATOM 0 HD21 LEU A 111 7.507 -1.802 6.306 1.00 0.19 H new ATOM 0 HD22 LEU A 111 7.936 -1.762 4.579 1.00 0.19 H new ATOM 0 HD23 LEU A 111 6.651 -0.700 5.201 1.00 0.19 H new ATOM 1615 N HIS A 112 2.368 -2.508 3.079 1.00 0.11 N ATOM 1616 CA HIS A 112 1.255 -1.817 2.442 1.00 0.12 C ATOM 1617 C HIS A 112 0.676 -0.718 3.317 1.00 0.14 C ATOM 1618 O HIS A 112 0.787 -0.748 4.541 1.00 0.22 O ATOM 1619 CB HIS A 112 0.124 -2.789 2.104 1.00 0.14 C ATOM 1620 CG HIS A 112 0.412 -3.700 0.960 1.00 0.16 C ATOM 1621 ND1 HIS A 112 0.978 -4.923 0.930 1.00 0.19 N flip ATOM 1622 CD2 HIS A 112 0.073 -3.403 -0.338 1.00 0.18 C flip ATOM 1623 CE1 HIS A 112 0.965 -5.349 -0.374 1.00 0.22 C flip ATOM 1624 NE2 HIS A 112 0.413 -4.411 -1.117 1.00 0.21 N flip ATOM 0 H HIS A 112 2.268 -2.634 4.086 1.00 0.11 H new ATOM 0 HA HIS A 112 1.664 -1.374 1.534 1.00 0.12 H new ATOM 0 HB2 HIS A 112 -0.095 -3.392 2.985 1.00 0.14 H new ATOM 0 HB3 HIS A 112 -0.775 -2.216 1.878 1.00 0.14 H new ATOM 0 HD2 HIS A 112 -0.398 -2.489 -0.668 1.00 0.18 H new ATOM 0 HE1 HIS A 112 1.344 -6.295 -0.732 1.00 0.22 H new ATOM 0 HE2 HIS A 112 0.272 -4.457 -2.126 1.00 0.21 H new ATOM 1633 N ILE A 113 0.098 0.269 2.654 1.00 0.12 N ATOM 1634 CA ILE A 113 -0.867 1.169 3.257 1.00 0.13 C ATOM 1635 C ILE A 113 -2.040 1.292 2.301 1.00 0.12 C ATOM 1636 O ILE A 113 -1.840 1.354 1.083 1.00 0.14 O ATOM 1637 CB ILE A 113 -0.292 2.568 3.538 1.00 0.14 C ATOM 1638 CG1 ILE A 113 0.468 3.071 2.312 1.00 0.15 C ATOM 1639 CG2 ILE A 113 0.606 2.535 4.766 1.00 0.15 C ATOM 1640 CD1 ILE A 113 0.460 4.568 2.159 1.00 0.17 C ATOM 0 H ILE A 113 0.288 0.469 1.672 1.00 0.12 H new ATOM 0 HA ILE A 113 -1.164 0.756 4.221 1.00 0.13 H new ATOM 0 HB ILE A 113 -1.111 3.258 3.742 1.00 0.14 H new ATOM 0 HG12 ILE A 113 1.501 2.728 2.371 1.00 0.15 H new ATOM 0 HG13 ILE A 113 0.034 2.622 1.419 1.00 0.15 H new ATOM 0 HG21 ILE A 113 1.005 3.532 4.952 1.00 0.15 H new ATOM 0 HG22 ILE A 113 0.028 2.209 5.631 1.00 0.15 H new ATOM 0 HG23 ILE A 113 1.429 1.841 4.596 1.00 0.15 H new ATOM 0 HD11 ILE A 113 1.020 4.845 1.266 1.00 0.17 H new ATOM 0 HD12 ILE A 113 -0.568 4.919 2.066 1.00 0.17 H new ATOM 0 HD13 ILE A 113 0.922 5.026 3.034 1.00 0.17 H new ATOM 1652 N ILE A 114 -3.249 1.280 2.824 1.00 0.11 N ATOM 1653 CA ILE A 114 -4.425 1.299 1.975 1.00 0.11 C ATOM 1654 C ILE A 114 -5.373 2.406 2.408 1.00 0.11 C ATOM 1655 O ILE A 114 -5.437 2.750 3.585 1.00 0.12 O ATOM 1656 CB ILE A 114 -5.187 -0.055 1.996 1.00 0.12 C ATOM 1657 CG1 ILE A 114 -4.229 -1.247 1.919 1.00 0.15 C ATOM 1658 CG2 ILE A 114 -6.169 -0.126 0.839 1.00 0.12 C ATOM 1659 CD1 ILE A 114 -3.751 -1.738 3.269 1.00 0.18 C ATOM 0 H ILE A 114 -3.444 1.257 3.825 1.00 0.11 H new ATOM 0 HA ILE A 114 -4.076 1.479 0.958 1.00 0.11 H new ATOM 0 HB ILE A 114 -5.725 -0.108 2.942 1.00 0.12 H new ATOM 0 HG12 ILE A 114 -4.726 -2.067 1.400 1.00 0.15 H new ATOM 0 HG13 ILE A 114 -3.364 -0.967 1.318 1.00 0.15 H new ATOM 0 HG21 ILE A 114 -6.695 -1.080 0.867 1.00 0.12 H new ATOM 0 HG22 ILE A 114 -6.889 0.688 0.922 1.00 0.12 H new ATOM 0 HG23 ILE A 114 -5.628 -0.037 -0.103 1.00 0.12 H new ATOM 0 HD11 ILE A 114 -3.077 -2.583 3.131 1.00 0.18 H new ATOM 0 HD12 ILE A 114 -3.224 -0.934 3.783 1.00 0.18 H new ATOM 0 HD13 ILE A 114 -4.607 -2.051 3.866 1.00 0.18 H new ATOM 1671 N LYS A 115 -6.079 2.980 1.449 1.00 0.13 N ATOM 1672 CA LYS A 115 -7.134 3.934 1.742 1.00 0.14 C ATOM 1673 C LYS A 115 -8.371 3.555 0.938 1.00 0.15 C ATOM 1674 O LYS A 115 -8.253 3.066 -0.188 1.00 0.16 O ATOM 1675 CB LYS A 115 -6.697 5.367 1.399 1.00 0.16 C ATOM 1676 CG LYS A 115 -6.825 5.725 -0.074 1.00 0.22 C ATOM 1677 CD LYS A 115 -6.538 7.194 -0.318 1.00 0.24 C ATOM 1678 CE LYS A 115 -7.184 7.688 -1.601 1.00 0.35 C ATOM 1679 NZ LYS A 115 -7.070 9.164 -1.748 1.00 0.61 N ATOM 0 H LYS A 115 -5.939 2.800 0.455 1.00 0.13 H new ATOM 0 HA LYS A 115 -7.356 3.904 2.809 1.00 0.14 H new ATOM 0 HB2 LYS A 115 -7.294 6.066 1.984 1.00 0.16 H new ATOM 0 HB3 LYS A 115 -5.659 5.501 1.705 1.00 0.16 H new ATOM 0 HG2 LYS A 115 -6.134 5.117 -0.658 1.00 0.22 H new ATOM 0 HG3 LYS A 115 -7.831 5.488 -0.421 1.00 0.22 H new ATOM 0 HD2 LYS A 115 -6.905 7.781 0.524 1.00 0.24 H new ATOM 0 HD3 LYS A 115 -5.461 7.350 -0.370 1.00 0.24 H new ATOM 0 HE2 LYS A 115 -6.713 7.201 -2.455 1.00 0.35 H new ATOM 0 HE3 LYS A 115 -8.236 7.403 -1.611 1.00 0.35 H new ATOM 0 HZ1 LYS A 115 -7.523 9.460 -2.636 1.00 0.61 H new ATOM 0 HZ2 LYS A 115 -7.541 9.630 -0.946 1.00 0.61 H new ATOM 0 HZ3 LYS A 115 -6.066 9.435 -1.765 1.00 0.61 H new ATOM 1693 N ARG A 116 -9.550 3.755 1.503 1.00 0.15 N ATOM 1694 CA ARG A 116 -10.774 3.418 0.793 1.00 0.17 C ATOM 1695 C ARG A 116 -11.176 4.537 -0.158 1.00 0.19 C ATOM 1696 O ARG A 116 -11.142 5.714 0.191 1.00 0.22 O ATOM 1697 CB ARG A 116 -11.921 3.091 1.755 1.00 0.21 C ATOM 1698 CG ARG A 116 -13.282 3.115 1.080 1.00 0.28 C ATOM 1699 CD ARG A 116 -14.229 2.047 1.594 1.00 0.49 C ATOM 1700 NE ARG A 116 -14.291 1.952 3.047 1.00 0.79 N ATOM 1701 CZ ARG A 116 -15.262 1.303 3.692 1.00 0.88 C ATOM 1702 NH1 ARG A 116 -16.261 0.754 3.008 1.00 0.97 N ATOM 1703 NH2 ARG A 116 -15.239 1.209 5.014 1.00 1.87 N ATOM 0 H ARG A 116 -9.686 4.143 2.437 1.00 0.15 H new ATOM 0 HA ARG A 116 -10.570 2.521 0.208 1.00 0.17 H new ATOM 0 HB2 ARG A 116 -11.754 2.106 2.190 1.00 0.21 H new ATOM 0 HB3 ARG A 116 -11.915 3.808 2.576 1.00 0.21 H new ATOM 0 HG2 ARG A 116 -13.736 4.095 1.229 1.00 0.28 H new ATOM 0 HG3 ARG A 116 -13.149 2.986 0.006 1.00 0.28 H new ATOM 0 HD2 ARG A 116 -15.229 2.250 1.211 1.00 0.49 H new ATOM 0 HD3 ARG A 116 -13.923 1.082 1.191 1.00 0.49 H new ATOM 0 HE ARG A 116 -13.559 2.402 3.596 1.00 0.79 H new ATOM 0 HH11 ARG A 116 -16.285 0.829 1.991 1.00 0.97 H new ATOM 0 HH12 ARG A 116 -17.004 0.258 3.500 1.00 0.97 H new ATOM 0 HH21 ARG A 116 -14.477 1.634 5.542 1.00 1.87 H new ATOM 0 HH22 ARG A 116 -15.983 0.712 5.503 1.00 1.87 H new ATOM 1717 N LEU A 117 -11.545 4.140 -1.363 1.00 0.22 N ATOM 1718 CA LEU A 117 -11.954 5.062 -2.414 1.00 0.27 C ATOM 1719 C LEU A 117 -13.473 5.070 -2.530 1.00 0.29 C ATOM 1720 O LEU A 117 -14.087 6.111 -2.756 1.00 0.37 O ATOM 1721 CB LEU A 117 -11.344 4.633 -3.760 1.00 0.32 C ATOM 1722 CG LEU A 117 -9.908 5.097 -4.056 1.00 0.39 C ATOM 1723 CD1 LEU A 117 -9.893 6.538 -4.528 1.00 0.89 C ATOM 1724 CD2 LEU A 117 -9.014 4.938 -2.844 1.00 0.80 C ATOM 0 H LEU A 117 -11.570 3.160 -1.645 1.00 0.22 H new ATOM 0 HA LEU A 117 -11.601 6.062 -2.161 1.00 0.27 H new ATOM 0 HB2 LEU A 117 -11.365 3.544 -3.810 1.00 0.32 H new ATOM 0 HB3 LEU A 117 -11.990 5.001 -4.557 1.00 0.32 H new ATOM 0 HG LEU A 117 -9.518 4.462 -4.852 1.00 0.39 H new ATOM 0 HD11 LEU A 117 -8.867 6.844 -4.731 1.00 0.89 H new ATOM 0 HD12 LEU A 117 -10.486 6.629 -5.438 1.00 0.89 H new ATOM 0 HD13 LEU A 117 -10.316 7.179 -3.754 1.00 0.89 H new ATOM 0 HD21 LEU A 117 -8.007 5.275 -3.088 1.00 0.80 H new ATOM 0 HD22 LEU A 117 -9.407 5.535 -2.021 1.00 0.80 H new ATOM 0 HD23 LEU A 117 -8.984 3.889 -2.549 1.00 0.80 H new ATOM 1736 N ALA A 118 -14.065 3.892 -2.376 1.00 0.26 N ATOM 1737 CA ALA A 118 -15.507 3.727 -2.454 1.00 0.30 C ATOM 1738 C ALA A 118 -15.941 2.574 -1.562 1.00 0.30 C ATOM 1739 O ALA A 118 -16.881 2.754 -0.760 1.00 1.10 O ATOM 1740 CB ALA A 118 -15.948 3.484 -3.892 1.00 0.39 C ATOM 1741 OXT ALA A 118 -15.309 1.503 -1.641 1.00 1.09 O ATOM 0 H ALA A 118 -13.557 3.026 -2.194 1.00 0.26 H new ATOM 0 HA ALA A 118 -15.983 4.644 -2.108 1.00 0.30 H new ATOM 0 HB1 ALA A 118 -17.031 3.364 -3.925 1.00 0.39 H new ATOM 0 HB2 ALA A 118 -15.658 4.334 -4.510 1.00 0.39 H new ATOM 0 HB3 ALA A 118 -15.471 2.580 -4.271 1.00 0.39 H new