USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 873 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 85 GLN : amide:sc= 0 K(o=-5.7,f=-6.2) USER MOD Set 1.2: A 106 THR OG1 : rot 8:sc= -0.486! USER MOD Set 1.3: A 111 HIS : no HD1:sc= -5.21! C(o=-5.7!,f=-1.6!) USER MOD Set 2.1: A 13 HIS : no HD1:sc= -1.54 K(o=-0.25,f=-3.8!) USER MOD Set 2.2: A 69 SER OG : rot -70:sc= 1.28 USER MOD Set 3.1: A 59 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 63 GLN : amide:sc= -1.22! K(o=-1.2!,f=0) USER MOD Set 4.1: A 29 GLN : amide:sc= -0.673 K(o=-0.67,f=-6.2!) USER MOD Set 4.2: A 33 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 12 SER OG : rot 79:sc= 0.459 USER MOD Set 5.2: A 116 THR OG1 : rot 171:sc= 0.42 USER MOD Single : A 11 CYS SG : rot -130:sc= -0.211 USER MOD Single : A 17 LYS NZ :NH3+ -131:sc= 1.14 (180deg=0.0391) USER MOD Single : A 18 HIS : no HD1:sc= -1.48 K(o=-1.5,f=-5!) USER MOD Single : A 19 SER OG : rot 58:sc= 1.1 USER MOD Single : A 20 GLN : amide:sc= -0.0925 X(o=-0.092,f=-0.16) USER MOD Single : A 21 SER OG : rot -99:sc= 1.25 USER MOD Single : A 25 SER OG : rot -77:sc= 1.3 USER MOD Single : A 26 SER OG : rot -69:sc= 1.14 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.077 USER MOD Single : A 36 LYS NZ :NH3+ 177:sc= 0.922 (180deg=0.886) USER MOD Single : A 44 ASN : amide:sc= -0.607 K(o=-0.61,f=-1.3) USER MOD Single : A 46 TYR OH : rot -144:sc= 0.933 USER MOD Single : A 48 GLN : amide:sc= -0.0819 X(o=-0.082,f=-0.24) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 92:sc= 1.22 USER MOD Single : A 62 SER OG : rot -61:sc= 1.25 USER MOD Single : A 65 SER OG : rot 34:sc= 1.88 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 44:sc= 1.26 USER MOD Single : A 83 GLN : amide:sc= -0.924 K(o=-0.92,f=-0.014) USER MOD Single : A 84 MET CE :methyl 174:sc= -1.03 (180deg=-1.2) USER MOD Single : A 86 LYS NZ :NH3+ 151:sc= 1.3 (180deg=1.02) USER MOD Single : A 92 SER OG : rot -78:sc= 0.698 USER MOD Single : A 97 THR OG1 : rot -86:sc= 1.31 USER MOD Single : A 100 MET CE :methyl 141:sc= -0.351 (180deg=-2.41!) USER MOD Single : A 101 SER OG : rot 170:sc= -1.25 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 71 N PRO A 6 7.270 18.918 1.652 1.00 30.14 N ATOM 72 CA PRO A 6 5.807 19.009 1.712 1.00 14.43 C ATOM 73 C PRO A 6 5.277 18.470 3.034 1.00 72.35 C ATOM 74 O PRO A 6 5.443 17.291 3.347 1.00 2.22 O ATOM 75 CB PRO A 6 5.341 18.128 0.551 1.00 54.34 C ATOM 76 CG PRO A 6 6.486 18.117 -0.399 1.00 10.41 C ATOM 77 CD PRO A 6 7.726 18.198 0.445 1.00 53.11 C ATOM 0 HA PRO A 6 5.450 20.036 1.641 1.00 14.43 H new ATOM 0 HB2 PRO A 6 5.099 17.121 0.891 1.00 54.34 H new ATOM 0 HB3 PRO A 6 4.443 18.531 0.084 1.00 54.34 H new ATOM 0 HG2 PRO A 6 6.483 17.209 -1.002 1.00 10.41 H new ATOM 0 HG3 PRO A 6 6.428 18.959 -1.089 1.00 10.41 H new ATOM 0 HD2 PRO A 6 8.112 17.208 0.689 1.00 53.11 H new ATOM 0 HD3 PRO A 6 8.526 18.735 -0.065 1.00 53.11 H new ATOM 85 N ALA A 7 4.653 19.340 3.806 1.00 22.42 N ATOM 86 CA ALA A 7 4.151 18.975 5.118 1.00 32.25 C ATOM 87 C ALA A 7 2.985 18.001 5.030 1.00 35.33 C ATOM 88 O ALA A 7 2.839 17.119 5.881 1.00 2.44 O ATOM 89 CB ALA A 7 3.751 20.216 5.888 1.00 11.02 C ATOM 0 H ALA A 7 4.481 20.311 3.545 1.00 22.42 H new ATOM 0 HA ALA A 7 4.956 18.468 5.651 1.00 32.25 H new ATOM 0 HB1 ALA A 7 3.376 19.929 6.871 1.00 11.02 H new ATOM 0 HB2 ALA A 7 4.618 20.866 6.006 1.00 11.02 H new ATOM 0 HB3 ALA A 7 2.971 20.747 5.343 1.00 11.02 H new ATOM 95 N ARG A 8 2.150 18.162 4.014 1.00 64.00 N ATOM 96 CA ARG A 8 0.998 17.292 3.837 1.00 74.21 C ATOM 97 C ARG A 8 0.917 16.777 2.411 1.00 54.44 C ATOM 98 O ARG A 8 0.879 17.557 1.456 1.00 73.24 O ATOM 99 CB ARG A 8 -0.294 18.026 4.199 1.00 43.11 C ATOM 100 CG ARG A 8 -0.344 18.499 5.635 1.00 53.22 C ATOM 101 CD ARG A 8 -1.665 19.159 5.958 1.00 33.10 C ATOM 102 NE ARG A 8 -1.694 19.674 7.325 1.00 42.31 N ATOM 103 CZ ARG A 8 -2.767 19.655 8.116 1.00 71.32 C ATOM 104 NH1 ARG A 8 -3.908 19.127 7.681 1.00 5.21 N ATOM 105 NH2 ARG A 8 -2.697 20.161 9.341 1.00 41.24 N ATOM 0 H ARG A 8 2.249 18.885 3.302 1.00 64.00 H new ATOM 0 HA ARG A 8 1.120 16.440 4.506 1.00 74.21 H new ATOM 0 HB2 ARG A 8 -0.410 18.885 3.539 1.00 43.11 H new ATOM 0 HB3 ARG A 8 -1.141 17.365 4.014 1.00 43.11 H new ATOM 0 HG2 ARG A 8 -0.187 17.652 6.303 1.00 53.22 H new ATOM 0 HG3 ARG A 8 0.469 19.203 5.815 1.00 53.22 H new ATOM 0 HD2 ARG A 8 -1.844 19.975 5.258 1.00 33.10 H new ATOM 0 HD3 ARG A 8 -2.473 18.440 5.823 1.00 33.10 H new ATOM 0 HE ARG A 8 -0.835 20.076 7.700 1.00 42.31 H new ATOM 0 HH11 ARG A 8 -3.963 18.736 6.741 1.00 5.21 H new ATOM 0 HH12 ARG A 8 -4.728 19.113 8.288 1.00 5.21 H new ATOM 0 HH21 ARG A 8 -1.822 20.564 9.677 1.00 41.24 H new ATOM 0 HH22 ARG A 8 -3.518 20.147 9.946 1.00 41.24 H new ATOM 119 N VAL A 9 0.886 15.468 2.268 1.00 43.11 N ATOM 120 CA VAL A 9 0.795 14.840 0.962 1.00 41.40 C ATOM 121 C VAL A 9 -0.370 13.862 0.928 1.00 20.23 C ATOM 122 O VAL A 9 -0.727 13.270 1.950 1.00 42.40 O ATOM 123 CB VAL A 9 2.102 14.090 0.580 1.00 31.21 C ATOM 124 CG1 VAL A 9 3.278 15.051 0.499 1.00 21.32 C ATOM 125 CG2 VAL A 9 2.399 12.968 1.568 1.00 11.13 C ATOM 0 H VAL A 9 0.923 14.811 3.047 1.00 43.11 H new ATOM 0 HA VAL A 9 0.637 15.637 0.236 1.00 41.40 H new ATOM 0 HB VAL A 9 1.953 13.647 -0.405 1.00 31.21 H new ATOM 0 HG11 VAL A 9 4.180 14.501 0.230 1.00 21.32 H new ATOM 0 HG12 VAL A 9 3.077 15.809 -0.258 1.00 21.32 H new ATOM 0 HG13 VAL A 9 3.422 15.533 1.466 1.00 21.32 H new ATOM 0 HG21 VAL A 9 3.319 12.460 1.277 1.00 11.13 H new ATOM 0 HG22 VAL A 9 2.516 13.385 2.568 1.00 11.13 H new ATOM 0 HG23 VAL A 9 1.575 12.255 1.567 1.00 11.13 H new ATOM 135 N ARG A 10 -0.972 13.714 -0.229 1.00 72.54 N ATOM 136 CA ARG A 10 -2.065 12.780 -0.392 1.00 12.31 C ATOM 137 C ARG A 10 -1.566 11.526 -1.069 1.00 23.42 C ATOM 138 O ARG A 10 -1.182 11.557 -2.235 1.00 4.12 O ATOM 139 CB ARG A 10 -3.193 13.396 -1.212 1.00 73.44 C ATOM 140 CG ARG A 10 -4.374 12.464 -1.410 1.00 55.44 C ATOM 141 CD ARG A 10 -5.466 13.116 -2.228 1.00 15.54 C ATOM 142 NE ARG A 10 -6.624 12.240 -2.384 1.00 1.43 N ATOM 143 CZ ARG A 10 -7.552 12.383 -3.327 1.00 50.21 C ATOM 144 NH1 ARG A 10 -7.442 13.341 -4.239 1.00 72.24 N ATOM 145 NH2 ARG A 10 -8.591 11.565 -3.358 1.00 13.23 N ATOM 0 H ARG A 10 -0.724 14.229 -1.074 1.00 72.54 H new ATOM 0 HA ARG A 10 -2.456 12.533 0.595 1.00 12.31 H new ATOM 0 HB2 ARG A 10 -3.536 14.305 -0.718 1.00 73.44 H new ATOM 0 HB3 ARG A 10 -2.804 13.690 -2.187 1.00 73.44 H new ATOM 0 HG2 ARG A 10 -4.040 11.553 -1.907 1.00 55.44 H new ATOM 0 HG3 ARG A 10 -4.772 12.169 -0.439 1.00 55.44 H new ATOM 0 HD2 ARG A 10 -5.775 14.044 -1.747 1.00 15.54 H new ATOM 0 HD3 ARG A 10 -5.075 13.380 -3.211 1.00 15.54 H new ATOM 0 HE ARG A 10 -6.728 11.467 -1.726 1.00 1.43 H new ATOM 0 HH11 ARG A 10 -6.642 13.974 -4.220 1.00 72.24 H new ATOM 0 HH12 ARG A 10 -8.157 13.444 -4.959 1.00 72.24 H new ATOM 0 HH21 ARG A 10 -8.680 10.827 -2.660 1.00 13.23 H new ATOM 0 HH22 ARG A 10 -9.304 11.673 -4.080 1.00 13.23 H new ATOM 159 N CYS A 11 -1.559 10.430 -0.346 1.00 42.25 N ATOM 160 CA CYS A 11 -1.079 9.180 -0.891 1.00 33.04 C ATOM 161 C CYS A 11 -2.097 8.068 -0.699 1.00 73.23 C ATOM 162 O CYS A 11 -2.799 8.019 0.310 1.00 2.33 O ATOM 163 CB CYS A 11 0.251 8.786 -0.243 1.00 74.14 C ATOM 164 SG CYS A 11 1.559 10.023 -0.416 1.00 71.11 S ATOM 0 H CYS A 11 -1.880 10.378 0.621 1.00 42.25 H new ATOM 0 HA CYS A 11 -0.925 9.324 -1.961 1.00 33.04 H new ATOM 0 HB2 CYS A 11 0.083 8.598 0.817 1.00 74.14 H new ATOM 0 HB3 CYS A 11 0.593 7.849 -0.683 1.00 74.14 H new ATOM 0 HG CYS A 11 2.640 9.453 -0.859 1.00 71.11 H new ATOM 170 N SER A 12 -2.181 7.201 -1.681 1.00 32.24 N ATOM 171 CA SER A 12 -3.034 6.046 -1.613 1.00 52.45 C ATOM 172 C SER A 12 -2.193 4.848 -1.178 1.00 34.35 C ATOM 173 O SER A 12 -1.015 4.751 -1.539 1.00 44.35 O ATOM 174 CB SER A 12 -3.677 5.788 -2.978 1.00 31.41 C ATOM 175 OG SER A 12 -4.365 6.946 -3.442 1.00 33.51 O ATOM 0 H SER A 12 -1.656 7.281 -2.552 1.00 32.24 H new ATOM 0 HA SER A 12 -3.833 6.211 -0.891 1.00 52.45 H new ATOM 0 HB2 SER A 12 -2.910 5.503 -3.698 1.00 31.41 H new ATOM 0 HB3 SER A 12 -4.372 4.952 -2.905 1.00 31.41 H new ATOM 0 HG SER A 12 -3.719 7.586 -3.806 1.00 33.51 H new ATOM 181 N HIS A 13 -2.774 3.952 -0.399 1.00 24.15 N ATOM 182 CA HIS A 13 -2.023 2.817 0.114 1.00 11.13 C ATOM 183 C HIS A 13 -2.800 1.514 0.013 1.00 71.34 C ATOM 184 O HIS A 13 -4.024 1.508 -0.052 1.00 3.11 O ATOM 185 CB HIS A 13 -1.580 3.061 1.572 1.00 51.45 C ATOM 186 CG HIS A 13 -2.692 3.101 2.593 1.00 33.41 C ATOM 187 ND1 HIS A 13 -2.479 2.884 3.938 1.00 31.24 N ATOM 188 CD2 HIS A 13 -4.019 3.342 2.464 1.00 74.12 C ATOM 189 CE1 HIS A 13 -3.621 2.986 4.584 1.00 74.12 C ATOM 190 NE2 HIS A 13 -4.569 3.266 3.713 1.00 63.54 N ATOM 0 H HIS A 13 -3.752 3.986 -0.110 1.00 24.15 H new ATOM 0 HA HIS A 13 -1.138 2.720 -0.514 1.00 11.13 H new ATOM 0 HB2 HIS A 13 -0.878 2.277 1.856 1.00 51.45 H new ATOM 0 HB3 HIS A 13 -1.037 4.005 1.615 1.00 51.45 H new ATOM 0 HD2 HIS A 13 -4.545 3.555 1.545 1.00 74.12 H new ATOM 0 HE1 HIS A 13 -3.758 2.861 5.648 1.00 74.12 H new ATOM 0 HE2 HIS A 13 -5.555 3.404 3.935 1.00 63.54 H new ATOM 199 N LEU A 14 -2.067 0.425 0.009 1.00 51.24 N ATOM 200 CA LEU A 14 -2.637 -0.906 -0.032 1.00 1.12 C ATOM 201 C LEU A 14 -1.924 -1.766 1.003 1.00 61.33 C ATOM 202 O LEU A 14 -0.731 -1.576 1.240 1.00 41.33 O ATOM 203 CB LEU A 14 -2.480 -1.493 -1.457 1.00 13.33 C ATOM 204 CG LEU A 14 -3.166 -2.841 -1.745 1.00 63.31 C ATOM 205 CD1 LEU A 14 -3.435 -2.983 -3.232 1.00 52.32 C ATOM 206 CD2 LEU A 14 -2.306 -4.010 -1.271 1.00 72.11 C ATOM 0 H LEU A 14 -1.047 0.436 0.034 1.00 51.24 H new ATOM 0 HA LEU A 14 -3.701 -0.879 0.202 1.00 1.12 H new ATOM 0 HB2 LEU A 14 -2.863 -0.761 -2.168 1.00 13.33 H new ATOM 0 HB3 LEU A 14 -1.415 -1.606 -1.660 1.00 13.33 H new ATOM 0 HG LEU A 14 -4.109 -2.859 -1.198 1.00 63.31 H new ATOM 0 HD11 LEU A 14 -3.920 -3.940 -3.424 1.00 52.32 H new ATOM 0 HD12 LEU A 14 -4.085 -2.173 -3.563 1.00 52.32 H new ATOM 0 HD13 LEU A 14 -2.493 -2.938 -3.778 1.00 52.32 H new ATOM 0 HD21 LEU A 14 -2.816 -4.948 -1.488 1.00 72.11 H new ATOM 0 HD22 LEU A 14 -1.347 -3.990 -1.789 1.00 72.11 H new ATOM 0 HD23 LEU A 14 -2.140 -3.927 -0.197 1.00 72.11 H new ATOM 218 N LEU A 15 -2.650 -2.669 1.643 1.00 31.02 N ATOM 219 CA LEU A 15 -2.057 -3.560 2.638 1.00 54.43 C ATOM 220 C LEU A 15 -2.490 -4.997 2.415 1.00 3.24 C ATOM 221 O LEU A 15 -3.681 -5.313 2.472 1.00 52.14 O ATOM 222 CB LEU A 15 -2.425 -3.120 4.062 1.00 73.43 C ATOM 223 CG LEU A 15 -2.014 -4.091 5.186 1.00 1.11 C ATOM 224 CD1 LEU A 15 -0.516 -4.363 5.156 1.00 44.15 C ATOM 225 CD2 LEU A 15 -2.426 -3.543 6.544 1.00 3.15 C ATOM 0 H LEU A 15 -3.650 -2.807 1.494 1.00 31.02 H new ATOM 0 HA LEU A 15 -0.975 -3.501 2.522 1.00 54.43 H new ATOM 0 HB2 LEU A 15 -1.962 -2.152 4.255 1.00 73.43 H new ATOM 0 HB3 LEU A 15 -3.504 -2.973 4.110 1.00 73.43 H new ATOM 0 HG LEU A 15 -2.533 -5.035 5.019 1.00 1.11 H new ATOM 0 HD11 LEU A 15 -0.255 -5.051 5.960 1.00 44.15 H new ATOM 0 HD12 LEU A 15 -0.246 -4.806 4.197 1.00 44.15 H new ATOM 0 HD13 LEU A 15 0.026 -3.427 5.289 1.00 44.15 H new ATOM 0 HD21 LEU A 15 -2.127 -4.243 7.325 1.00 3.15 H new ATOM 0 HD22 LEU A 15 -1.939 -2.582 6.712 1.00 3.15 H new ATOM 0 HD23 LEU A 15 -3.508 -3.411 6.570 1.00 3.15 H new ATOM 237 N VAL A 16 -1.528 -5.856 2.162 1.00 42.12 N ATOM 238 CA VAL A 16 -1.796 -7.265 1.964 1.00 24.55 C ATOM 239 C VAL A 16 -1.163 -8.094 3.094 1.00 53.32 C ATOM 240 O VAL A 16 -0.006 -7.867 3.477 1.00 55.23 O ATOM 241 CB VAL A 16 -1.285 -7.752 0.576 1.00 54.11 C ATOM 242 CG1 VAL A 16 0.217 -7.560 0.440 1.00 60.31 C ATOM 243 CG2 VAL A 16 -1.670 -9.201 0.328 1.00 73.20 C ATOM 0 H VAL A 16 -0.543 -5.601 2.088 1.00 42.12 H new ATOM 0 HA VAL A 16 -2.876 -7.407 1.987 1.00 24.55 H new ATOM 0 HB VAL A 16 -1.769 -7.139 -0.185 1.00 54.11 H new ATOM 0 HG11 VAL A 16 0.541 -7.910 -0.540 1.00 60.31 H new ATOM 0 HG12 VAL A 16 0.460 -6.503 0.546 1.00 60.31 H new ATOM 0 HG13 VAL A 16 0.728 -8.130 1.216 1.00 60.31 H new ATOM 0 HG21 VAL A 16 -1.300 -9.514 -0.648 1.00 73.20 H new ATOM 0 HG22 VAL A 16 -1.231 -9.832 1.101 1.00 73.20 H new ATOM 0 HG23 VAL A 16 -2.755 -9.298 0.353 1.00 73.20 H new ATOM 253 N LYS A 17 -1.936 -9.023 3.643 1.00 13.33 N ATOM 254 CA LYS A 17 -1.462 -9.882 4.724 1.00 60.20 C ATOM 255 C LYS A 17 -0.548 -10.980 4.200 1.00 35.12 C ATOM 256 O LYS A 17 -0.617 -11.358 3.030 1.00 24.14 O ATOM 257 CB LYS A 17 -2.638 -10.515 5.476 1.00 15.41 C ATOM 258 CG LYS A 17 -3.384 -9.572 6.403 1.00 2.52 C ATOM 259 CD LYS A 17 -2.513 -9.140 7.572 1.00 25.35 C ATOM 260 CE LYS A 17 -3.283 -8.274 8.555 1.00 55.22 C ATOM 261 NZ LYS A 17 -3.817 -7.046 7.915 1.00 32.04 N ATOM 0 H LYS A 17 -2.898 -9.202 3.357 1.00 13.33 H new ATOM 0 HA LYS A 17 -0.895 -9.252 5.409 1.00 60.20 H new ATOM 0 HB2 LYS A 17 -3.342 -10.918 4.748 1.00 15.41 H new ATOM 0 HB3 LYS A 17 -2.266 -11.357 6.060 1.00 15.41 H new ATOM 0 HG2 LYS A 17 -3.710 -8.694 5.846 1.00 2.52 H new ATOM 0 HG3 LYS A 17 -4.282 -10.063 6.778 1.00 2.52 H new ATOM 0 HD2 LYS A 17 -2.130 -10.022 8.086 1.00 25.35 H new ATOM 0 HD3 LYS A 17 -1.650 -8.588 7.199 1.00 25.35 H new ATOM 0 HE2 LYS A 17 -4.106 -8.850 8.978 1.00 55.22 H new ATOM 0 HE3 LYS A 17 -2.630 -7.997 9.383 1.00 55.22 H new ATOM 0 HZ1 LYS A 17 -3.576 -6.218 8.497 1.00 32.04 H new ATOM 0 HZ2 LYS A 17 -3.398 -6.937 6.969 1.00 32.04 H new ATOM 0 HZ3 LYS A 17 -4.851 -7.120 7.830 1.00 32.04 H new ATOM 275 N HIS A 18 0.288 -11.493 5.083 1.00 53.54 N ATOM 276 CA HIS A 18 1.211 -12.572 4.757 1.00 2.22 C ATOM 277 C HIS A 18 0.932 -13.776 5.647 1.00 5.23 C ATOM 278 O HIS A 18 0.473 -13.613 6.778 1.00 13.41 O ATOM 279 CB HIS A 18 2.692 -12.112 4.861 1.00 35.45 C ATOM 280 CG HIS A 18 3.079 -11.437 6.160 1.00 40.34 C ATOM 281 ND1 HIS A 18 4.064 -11.911 6.994 1.00 25.34 N ATOM 282 CD2 HIS A 18 2.640 -10.291 6.730 1.00 0.01 C ATOM 283 CE1 HIS A 18 4.214 -11.089 8.015 1.00 24.42 C ATOM 284 NE2 HIS A 18 3.362 -10.100 7.879 1.00 11.23 N ATOM 0 H HIS A 18 0.349 -11.175 6.050 1.00 53.54 H new ATOM 0 HA HIS A 18 1.050 -12.864 3.719 1.00 2.22 H new ATOM 0 HB2 HIS A 18 3.334 -12.981 4.719 1.00 35.45 H new ATOM 0 HB3 HIS A 18 2.899 -11.425 4.040 1.00 35.45 H new ATOM 0 HD2 HIS A 18 1.863 -9.645 6.349 1.00 0.01 H new ATOM 0 HE1 HIS A 18 4.918 -11.209 8.825 1.00 24.42 H new ATOM 0 HE2 HIS A 18 3.255 -9.317 8.524 1.00 11.23 H new ATOM 293 N SER A 19 1.196 -14.971 5.129 1.00 22.04 N ATOM 294 CA SER A 19 0.888 -16.215 5.832 1.00 44.54 C ATOM 295 C SER A 19 1.539 -16.264 7.213 1.00 32.35 C ATOM 296 O SER A 19 0.855 -16.452 8.223 1.00 42.25 O ATOM 297 CB SER A 19 1.325 -17.425 4.991 1.00 51.33 C ATOM 298 OG SER A 19 0.718 -18.622 5.453 1.00 23.21 O ATOM 0 H SER A 19 1.627 -15.106 4.215 1.00 22.04 H new ATOM 0 HA SER A 19 -0.192 -16.252 5.977 1.00 44.54 H new ATOM 0 HB2 SER A 19 1.059 -17.260 3.947 1.00 51.33 H new ATOM 0 HB3 SER A 19 2.410 -17.526 5.032 1.00 51.33 H new ATOM 0 HG SER A 19 -0.257 -18.525 5.429 1.00 23.21 H new ATOM 304 N GLN A 20 2.844 -16.086 7.260 1.00 11.20 N ATOM 305 CA GLN A 20 3.564 -16.121 8.519 1.00 1.25 C ATOM 306 C GLN A 20 3.502 -14.772 9.217 1.00 52.11 C ATOM 307 O GLN A 20 4.388 -13.932 9.057 1.00 12.21 O ATOM 308 CB GLN A 20 5.015 -16.549 8.307 1.00 51.41 C ATOM 309 CG GLN A 20 5.168 -17.962 7.762 1.00 44.31 C ATOM 310 CD GLN A 20 4.577 -19.013 8.682 1.00 22.33 C ATOM 311 OE1 GLN A 20 3.408 -19.383 8.560 1.00 33.33 O ATOM 312 NE2 GLN A 20 5.376 -19.490 9.615 1.00 74.44 N ATOM 0 H GLN A 20 3.428 -15.916 6.442 1.00 11.20 H new ATOM 0 HA GLN A 20 3.081 -16.859 9.159 1.00 1.25 H new ATOM 0 HB2 GLN A 20 5.493 -15.851 7.619 1.00 51.41 H new ATOM 0 HB3 GLN A 20 5.547 -16.476 9.255 1.00 51.41 H new ATOM 0 HG2 GLN A 20 4.684 -18.025 6.787 1.00 44.31 H new ATOM 0 HG3 GLN A 20 6.226 -18.174 7.607 1.00 44.31 H new ATOM 0 HE21 GLN A 20 6.338 -19.157 9.682 1.00 74.44 H new ATOM 0 HE22 GLN A 20 5.033 -20.192 10.270 1.00 74.44 H new ATOM 321 N SER A 21 2.434 -14.561 9.958 1.00 34.21 N ATOM 322 CA SER A 21 2.232 -13.330 10.698 1.00 1.02 C ATOM 323 C SER A 21 1.501 -13.625 12.001 1.00 53.14 C ATOM 324 O SER A 21 1.148 -14.780 12.270 1.00 63.44 O ATOM 325 CB SER A 21 1.438 -12.329 9.852 1.00 63.24 C ATOM 326 OG SER A 21 0.228 -12.899 9.383 1.00 15.05 O ATOM 0 H SER A 21 1.679 -15.239 10.065 1.00 34.21 H new ATOM 0 HA SER A 21 3.202 -12.891 10.931 1.00 1.02 H new ATOM 0 HB2 SER A 21 1.219 -11.441 10.445 1.00 63.24 H new ATOM 0 HB3 SER A 21 2.043 -12.005 9.005 1.00 63.24 H new ATOM 0 HG SER A 21 0.344 -13.195 8.456 1.00 15.05 H new ATOM 332 N ARG A 22 1.273 -12.602 12.809 1.00 1.50 N ATOM 333 CA ARG A 22 0.568 -12.792 14.064 1.00 73.13 C ATOM 334 C ARG A 22 -0.924 -12.961 13.821 1.00 51.11 C ATOM 335 O ARG A 22 -1.594 -13.729 14.516 1.00 62.13 O ATOM 336 CB ARG A 22 0.824 -11.633 15.026 1.00 50.13 C ATOM 337 CG ARG A 22 2.279 -11.484 15.445 1.00 74.13 C ATOM 338 CD ARG A 22 2.419 -10.500 16.594 1.00 71.13 C ATOM 339 NE ARG A 22 1.743 -10.979 17.803 1.00 33.51 N ATOM 340 CZ ARG A 22 0.771 -10.318 18.444 1.00 72.21 C ATOM 341 NH1 ARG A 22 0.359 -9.132 18.007 1.00 2.14 N ATOM 342 NH2 ARG A 22 0.215 -10.846 19.525 1.00 4.32 N ATOM 0 H ARG A 22 1.563 -11.642 12.621 1.00 1.50 H new ATOM 0 HA ARG A 22 0.951 -13.702 14.525 1.00 73.13 H new ATOM 0 HB2 ARG A 22 0.495 -10.706 14.557 1.00 50.13 H new ATOM 0 HB3 ARG A 22 0.213 -11.773 15.918 1.00 50.13 H new ATOM 0 HG2 ARG A 22 2.676 -12.454 15.743 1.00 74.13 H new ATOM 0 HG3 ARG A 22 2.872 -11.144 14.596 1.00 74.13 H new ATOM 0 HD2 ARG A 22 3.475 -10.338 16.808 1.00 71.13 H new ATOM 0 HD3 ARG A 22 2.002 -9.537 16.301 1.00 71.13 H new ATOM 0 HE ARG A 22 2.034 -11.880 18.183 1.00 33.51 H new ATOM 0 HH11 ARG A 22 0.784 -8.719 17.177 1.00 2.14 H new ATOM 0 HH12 ARG A 22 -0.382 -8.636 18.502 1.00 2.14 H new ATOM 0 HH21 ARG A 22 0.528 -11.755 19.867 1.00 4.32 H new ATOM 0 HH22 ARG A 22 -0.526 -10.344 20.015 1.00 4.32 H new ATOM 356 N ARG A 23 -1.441 -12.251 12.830 1.00 34.51 N ATOM 357 CA ARG A 23 -2.853 -12.343 12.485 1.00 74.24 C ATOM 358 C ARG A 23 -3.032 -12.555 10.985 1.00 45.44 C ATOM 359 O ARG A 23 -3.253 -11.601 10.234 1.00 54.21 O ATOM 360 CB ARG A 23 -3.619 -11.093 12.932 1.00 13.51 C ATOM 361 CG ARG A 23 -3.673 -10.896 14.439 1.00 61.14 C ATOM 362 CD ARG A 23 -4.506 -9.679 14.806 1.00 43.24 C ATOM 363 NE ARG A 23 -3.960 -8.447 14.235 1.00 0.21 N ATOM 364 CZ ARG A 23 -4.680 -7.356 13.968 1.00 52.15 C ATOM 365 NH1 ARG A 23 -5.992 -7.344 14.193 1.00 75.25 N ATOM 366 NH2 ARG A 23 -4.087 -6.279 13.471 1.00 15.15 N ATOM 0 H ARG A 23 -0.905 -11.605 12.250 1.00 34.51 H new ATOM 0 HA ARG A 23 -3.263 -13.203 13.014 1.00 74.24 H new ATOM 0 HB2 ARG A 23 -3.156 -10.216 12.479 1.00 13.51 H new ATOM 0 HB3 ARG A 23 -4.638 -11.149 12.548 1.00 13.51 H new ATOM 0 HG2 ARG A 23 -4.095 -11.784 14.909 1.00 61.14 H new ATOM 0 HG3 ARG A 23 -2.662 -10.779 14.829 1.00 61.14 H new ATOM 0 HD2 ARG A 23 -5.528 -9.820 14.454 1.00 43.24 H new ATOM 0 HD3 ARG A 23 -4.553 -9.586 15.891 1.00 43.24 H new ATOM 0 HE ARG A 23 -2.962 -8.421 14.027 1.00 0.21 H new ATOM 0 HH11 ARG A 23 -6.452 -8.172 14.572 1.00 75.25 H new ATOM 0 HH12 ARG A 23 -6.537 -6.507 13.987 1.00 75.25 H new ATOM 0 HH21 ARG A 23 -3.083 -6.286 13.294 1.00 15.15 H new ATOM 0 HH22 ARG A 23 -4.635 -5.444 13.266 1.00 15.15 H new ATOM 380 N PRO A 24 -2.914 -13.804 10.523 1.00 50.10 N ATOM 381 CA PRO A 24 -3.076 -14.134 9.123 1.00 71.14 C ATOM 382 C PRO A 24 -4.546 -14.353 8.757 1.00 31.01 C ATOM 383 O PRO A 24 -4.980 -15.485 8.504 1.00 60.31 O ATOM 384 CB PRO A 24 -2.279 -15.429 8.977 1.00 60.10 C ATOM 385 CG PRO A 24 -2.356 -16.086 10.319 1.00 72.43 C ATOM 386 CD PRO A 24 -2.602 -14.994 11.338 1.00 10.20 C ATOM 0 HA PRO A 24 -2.735 -13.337 8.462 1.00 71.14 H new ATOM 0 HB2 PRO A 24 -2.702 -16.067 8.201 1.00 60.10 H new ATOM 0 HB3 PRO A 24 -1.246 -15.227 8.696 1.00 60.10 H new ATOM 0 HG2 PRO A 24 -3.160 -16.822 10.342 1.00 72.43 H new ATOM 0 HG3 PRO A 24 -1.431 -16.618 10.541 1.00 72.43 H new ATOM 0 HD2 PRO A 24 -3.427 -15.249 12.004 1.00 10.20 H new ATOM 0 HD3 PRO A 24 -1.726 -14.829 11.965 1.00 10.20 H new ATOM 394 N SER A 25 -5.307 -13.271 8.739 1.00 13.41 N ATOM 395 CA SER A 25 -6.719 -13.333 8.407 1.00 43.21 C ATOM 396 C SER A 25 -7.171 -12.076 7.663 1.00 5.42 C ATOM 397 O SER A 25 -6.838 -10.954 8.054 1.00 45.12 O ATOM 398 CB SER A 25 -7.548 -13.515 9.679 1.00 23.54 C ATOM 399 OG SER A 25 -7.219 -14.733 10.333 1.00 61.43 O ATOM 0 H SER A 25 -4.967 -12.333 8.952 1.00 13.41 H new ATOM 0 HA SER A 25 -6.874 -14.188 7.749 1.00 43.21 H new ATOM 0 HB2 SER A 25 -7.373 -12.677 10.354 1.00 23.54 H new ATOM 0 HB3 SER A 25 -8.609 -13.507 9.430 1.00 23.54 H new ATOM 0 HG SER A 25 -7.642 -15.481 9.863 1.00 61.43 H new ATOM 405 N SER A 26 -7.909 -12.274 6.589 1.00 3.50 N ATOM 406 CA SER A 26 -8.454 -11.182 5.806 1.00 71.33 C ATOM 407 C SER A 26 -9.935 -11.433 5.555 1.00 73.32 C ATOM 408 O SER A 26 -10.505 -12.396 6.085 1.00 1.12 O ATOM 409 CB SER A 26 -7.710 -11.071 4.465 1.00 2.55 C ATOM 410 OG SER A 26 -7.901 -12.239 3.669 1.00 34.14 O ATOM 0 H SER A 26 -8.149 -13.199 6.233 1.00 3.50 H new ATOM 0 HA SER A 26 -8.330 -10.248 6.355 1.00 71.33 H new ATOM 0 HB2 SER A 26 -8.065 -10.195 3.921 1.00 2.55 H new ATOM 0 HB3 SER A 26 -6.646 -10.923 4.648 1.00 2.55 H new ATOM 0 HG SER A 26 -7.434 -12.996 4.081 1.00 34.14 H new ATOM 415 N TRP A 27 -10.562 -10.583 4.753 1.00 4.33 N ATOM 416 CA TRP A 27 -11.954 -10.787 4.394 1.00 13.33 C ATOM 417 C TRP A 27 -12.044 -11.686 3.168 1.00 55.31 C ATOM 418 O TRP A 27 -13.128 -11.987 2.675 1.00 13.11 O ATOM 419 CB TRP A 27 -12.689 -9.451 4.168 1.00 3.12 C ATOM 420 CG TRP A 27 -12.156 -8.600 3.047 1.00 33.24 C ATOM 421 CD1 TRP A 27 -10.977 -7.918 3.022 1.00 3.22 C ATOM 422 CD2 TRP A 27 -12.808 -8.309 1.805 1.00 63.35 C ATOM 423 NE1 TRP A 27 -10.852 -7.231 1.845 1.00 52.23 N ATOM 424 CE2 TRP A 27 -11.960 -7.454 1.078 1.00 54.03 C ATOM 425 CE3 TRP A 27 -14.020 -8.695 1.234 1.00 11.13 C ATOM 426 CZ2 TRP A 27 -12.289 -6.974 -0.183 1.00 61.32 C ATOM 427 CZ3 TRP A 27 -14.347 -8.218 -0.020 1.00 2.14 C ATOM 428 CH2 TRP A 27 -13.484 -7.366 -0.716 1.00 15.23 C ATOM 0 H TRP A 27 -10.132 -9.754 4.343 1.00 4.33 H new ATOM 0 HA TRP A 27 -12.454 -11.280 5.227 1.00 13.33 H new ATOM 0 HB2 TRP A 27 -13.740 -9.663 3.972 1.00 3.12 H new ATOM 0 HB3 TRP A 27 -12.648 -8.873 5.091 1.00 3.12 H new ATOM 0 HD1 TRP A 27 -10.246 -7.919 3.817 1.00 3.22 H new ATOM 0 HE1 TRP A 27 -10.059 -6.646 1.583 1.00 52.23 H new ATOM 0 HE3 TRP A 27 -14.691 -9.355 1.763 1.00 11.13 H new ATOM 0 HZ2 TRP A 27 -11.625 -6.315 -0.722 1.00 61.32 H new ATOM 0 HZ3 TRP A 27 -15.285 -8.508 -0.471 1.00 2.14 H new ATOM 0 HH2 TRP A 27 -13.768 -7.010 -1.695 1.00 15.23 H new ATOM 439 N ARG A 28 -10.880 -12.114 2.692 1.00 31.01 N ATOM 440 CA ARG A 28 -10.786 -13.019 1.566 1.00 22.23 C ATOM 441 C ARG A 28 -10.405 -14.401 2.056 1.00 42.40 C ATOM 442 O ARG A 28 -11.044 -15.395 1.714 1.00 70.03 O ATOM 443 CB ARG A 28 -9.756 -12.516 0.550 1.00 64.50 C ATOM 444 CG ARG A 28 -10.190 -11.272 -0.207 1.00 31.20 C ATOM 445 CD ARG A 28 -11.476 -11.525 -0.968 1.00 1.13 C ATOM 446 NE ARG A 28 -11.852 -10.403 -1.820 1.00 72.11 N ATOM 447 CZ ARG A 28 -12.982 -10.364 -2.535 1.00 43.44 C ATOM 448 NH1 ARG A 28 -13.853 -11.364 -2.457 1.00 24.41 N ATOM 449 NH2 ARG A 28 -13.243 -9.322 -3.314 1.00 42.11 N ATOM 0 H ARG A 28 -9.978 -11.840 3.080 1.00 31.01 H new ATOM 0 HA ARG A 28 -11.756 -13.066 1.071 1.00 22.23 H new ATOM 0 HB2 ARG A 28 -8.822 -12.305 1.070 1.00 64.50 H new ATOM 0 HB3 ARG A 28 -9.550 -13.311 -0.166 1.00 64.50 H new ATOM 0 HG2 ARG A 28 -10.332 -10.447 0.491 1.00 31.20 H new ATOM 0 HG3 ARG A 28 -9.405 -10.971 -0.901 1.00 31.20 H new ATOM 0 HD2 ARG A 28 -11.362 -12.419 -1.580 1.00 1.13 H new ATOM 0 HD3 ARG A 28 -12.280 -11.724 -0.260 1.00 1.13 H new ATOM 0 HE ARG A 28 -11.219 -9.605 -1.874 1.00 72.11 H new ATOM 0 HH11 ARG A 28 -13.660 -12.162 -1.852 1.00 24.41 H new ATOM 0 HH12 ARG A 28 -14.714 -11.334 -3.002 1.00 24.41 H new ATOM 0 HH21 ARG A 28 -12.581 -8.548 -3.369 1.00 42.11 H new ATOM 0 HH22 ARG A 28 -14.105 -9.295 -3.858 1.00 42.11 H new ATOM 463 N GLN A 29 -9.371 -14.457 2.870 1.00 43.22 N ATOM 464 CA GLN A 29 -8.917 -15.709 3.436 1.00 13.51 C ATOM 465 C GLN A 29 -9.005 -15.656 4.947 1.00 51.42 C ATOM 466 O GLN A 29 -8.461 -14.747 5.577 1.00 53.01 O ATOM 467 CB GLN A 29 -7.474 -16.011 3.016 1.00 62.34 C ATOM 468 CG GLN A 29 -7.281 -16.223 1.525 1.00 51.03 C ATOM 469 CD GLN A 29 -5.853 -16.609 1.167 1.00 41.13 C ATOM 470 OE1 GLN A 29 -4.895 -16.218 1.842 1.00 31.24 O ATOM 471 NE2 GLN A 29 -5.702 -17.377 0.110 1.00 32.14 N ATOM 0 H GLN A 29 -8.826 -13.643 3.156 1.00 43.22 H new ATOM 0 HA GLN A 29 -9.561 -16.504 3.060 1.00 13.51 H new ATOM 0 HB2 GLN A 29 -6.836 -15.188 3.338 1.00 62.34 H new ATOM 0 HB3 GLN A 29 -7.135 -16.903 3.543 1.00 62.34 H new ATOM 0 HG2 GLN A 29 -7.961 -17.003 1.182 1.00 51.03 H new ATOM 0 HG3 GLN A 29 -7.550 -15.310 0.994 1.00 51.03 H new ATOM 0 HE21 GLN A 29 -6.518 -17.679 -0.422 1.00 32.14 H new ATOM 0 HE22 GLN A 29 -4.769 -17.670 -0.178 1.00 32.14 H new ATOM 480 N GLU A 30 -9.699 -16.616 5.528 1.00 2.01 N ATOM 481 CA GLU A 30 -9.800 -16.711 6.969 1.00 4.52 C ATOM 482 C GLU A 30 -8.422 -17.045 7.522 1.00 44.00 C ATOM 483 O GLU A 30 -8.047 -16.631 8.620 1.00 2.54 O ATOM 484 CB GLU A 30 -10.810 -17.792 7.357 1.00 2.42 C ATOM 485 CG GLU A 30 -11.295 -17.692 8.789 1.00 20.34 C ATOM 486 CD GLU A 30 -11.991 -16.378 9.066 1.00 72.20 C ATOM 487 OE1 GLU A 30 -13.181 -16.249 8.712 1.00 32.21 O ATOM 488 OE2 GLU A 30 -11.355 -15.470 9.637 1.00 41.40 O ATOM 0 H GLU A 30 -10.203 -17.343 5.020 1.00 2.01 H new ATOM 0 HA GLU A 30 -10.146 -15.765 7.385 1.00 4.52 H new ATOM 0 HB2 GLU A 30 -11.668 -17.731 6.688 1.00 2.42 H new ATOM 0 HB3 GLU A 30 -10.356 -18.771 7.205 1.00 2.42 H new ATOM 0 HG2 GLU A 30 -11.979 -18.515 8.997 1.00 20.34 H new ATOM 0 HG3 GLU A 30 -10.448 -17.802 9.466 1.00 20.34 H new ATOM 495 N LYS A 31 -7.675 -17.786 6.731 1.00 33.41 N ATOM 496 CA LYS A 31 -6.314 -18.134 7.038 1.00 53.43 C ATOM 497 C LYS A 31 -5.441 -17.844 5.827 1.00 41.53 C ATOM 498 O LYS A 31 -5.539 -18.520 4.804 1.00 61.50 O ATOM 499 CB LYS A 31 -6.207 -19.608 7.467 1.00 11.51 C ATOM 500 CG LYS A 31 -6.894 -20.588 6.527 1.00 41.13 C ATOM 501 CD LYS A 31 -6.806 -22.010 7.048 1.00 62.12 C ATOM 502 CE LYS A 31 -7.583 -22.969 6.163 1.00 52.22 C ATOM 503 NZ LYS A 31 -7.572 -24.353 6.700 1.00 15.40 N ATOM 0 H LYS A 31 -8.006 -18.167 5.845 1.00 33.41 H new ATOM 0 HA LYS A 31 -5.966 -17.531 7.877 1.00 53.43 H new ATOM 0 HB2 LYS A 31 -5.153 -19.876 7.544 1.00 11.51 H new ATOM 0 HB3 LYS A 31 -6.637 -19.716 8.463 1.00 11.51 H new ATOM 0 HG2 LYS A 31 -7.940 -20.307 6.407 1.00 41.13 H new ATOM 0 HG3 LYS A 31 -6.434 -20.531 5.540 1.00 41.13 H new ATOM 0 HD2 LYS A 31 -5.762 -22.319 7.094 1.00 62.12 H new ATOM 0 HD3 LYS A 31 -7.196 -22.052 8.065 1.00 62.12 H new ATOM 0 HE2 LYS A 31 -8.613 -22.624 6.071 1.00 52.22 H new ATOM 0 HE3 LYS A 31 -7.155 -22.965 5.161 1.00 52.22 H new ATOM 0 HZ1 LYS A 31 -8.113 -24.975 6.067 1.00 15.40 H new ATOM 0 HZ2 LYS A 31 -6.591 -24.693 6.764 1.00 15.40 H new ATOM 0 HZ3 LYS A 31 -8.004 -24.362 7.646 1.00 15.40 H new ATOM 517 N ILE A 32 -4.622 -16.809 5.934 1.00 35.53 N ATOM 518 CA ILE A 32 -3.757 -16.397 4.837 1.00 13.54 C ATOM 519 C ILE A 32 -2.816 -17.523 4.436 1.00 71.31 C ATOM 520 O ILE A 32 -1.983 -17.972 5.236 1.00 11.23 O ATOM 521 CB ILE A 32 -2.934 -15.137 5.194 1.00 34.33 C ATOM 522 CG1 ILE A 32 -3.855 -13.976 5.580 1.00 44.11 C ATOM 523 CG2 ILE A 32 -2.043 -14.736 4.032 1.00 25.55 C ATOM 524 CD1 ILE A 32 -4.794 -13.538 4.479 1.00 70.40 C ATOM 0 H ILE A 32 -4.537 -16.236 6.774 1.00 35.53 H new ATOM 0 HA ILE A 32 -4.407 -16.154 3.996 1.00 13.54 H new ATOM 0 HB ILE A 32 -2.304 -15.376 6.051 1.00 34.33 H new ATOM 0 HG12 ILE A 32 -4.444 -14.268 6.450 1.00 44.11 H new ATOM 0 HG13 ILE A 32 -3.243 -13.125 5.880 1.00 44.11 H new ATOM 0 HG21 ILE A 32 -1.472 -13.848 4.301 1.00 25.55 H new ATOM 0 HG22 ILE A 32 -1.358 -15.552 3.800 1.00 25.55 H new ATOM 0 HG23 ILE A 32 -2.659 -14.520 3.159 1.00 25.55 H new ATOM 0 HD11 ILE A 32 -5.411 -12.712 4.834 1.00 70.40 H new ATOM 0 HD12 ILE A 32 -4.215 -13.213 3.615 1.00 70.40 H new ATOM 0 HD13 ILE A 32 -5.434 -14.373 4.193 1.00 70.40 H new ATOM 536 N THR A 33 -2.960 -17.988 3.210 1.00 74.14 N ATOM 537 CA THR A 33 -2.149 -19.072 2.712 1.00 23.24 C ATOM 538 C THR A 33 -1.068 -18.573 1.755 1.00 20.51 C ATOM 539 O THR A 33 -0.186 -19.336 1.351 1.00 60.12 O ATOM 540 CB THR A 33 -3.017 -20.140 2.023 1.00 45.53 C ATOM 541 OG1 THR A 33 -3.849 -19.528 1.021 1.00 53.11 O ATOM 542 CG2 THR A 33 -3.893 -20.849 3.046 1.00 22.24 C ATOM 0 H THR A 33 -3.638 -17.626 2.539 1.00 74.14 H new ATOM 0 HA THR A 33 -1.655 -19.525 3.572 1.00 23.24 H new ATOM 0 HB THR A 33 -2.359 -20.869 1.550 1.00 45.53 H new ATOM 0 HG1 THR A 33 -4.397 -20.215 0.587 1.00 53.11 H new ATOM 0 HG21 THR A 33 -4.502 -21.602 2.545 1.00 22.24 H new ATOM 0 HG22 THR A 33 -3.263 -21.331 3.793 1.00 22.24 H new ATOM 0 HG23 THR A 33 -4.543 -20.123 3.534 1.00 22.24 H new ATOM 550 N ARG A 34 -1.133 -17.295 1.395 1.00 30.14 N ATOM 551 CA ARG A 34 -0.135 -16.717 0.506 1.00 13.21 C ATOM 552 C ARG A 34 1.197 -16.584 1.242 1.00 51.15 C ATOM 553 O ARG A 34 1.280 -15.947 2.300 1.00 14.04 O ATOM 554 CB ARG A 34 -0.606 -15.356 -0.051 1.00 14.51 C ATOM 555 CG ARG A 34 -0.602 -14.219 0.957 1.00 43.04 C ATOM 556 CD ARG A 34 -1.314 -12.992 0.425 1.00 24.52 C ATOM 557 NE ARG A 34 -2.748 -13.228 0.262 1.00 52.32 N ATOM 558 CZ ARG A 34 -3.706 -12.572 0.926 1.00 21.04 C ATOM 559 NH1 ARG A 34 -3.387 -11.648 1.834 1.00 3.00 N ATOM 560 NH2 ARG A 34 -4.983 -12.856 0.690 1.00 13.30 N ATOM 0 H ARG A 34 -1.858 -16.647 1.702 1.00 30.14 H new ATOM 0 HA ARG A 34 0.003 -17.383 -0.346 1.00 13.21 H new ATOM 0 HB2 ARG A 34 0.034 -15.082 -0.890 1.00 14.51 H new ATOM 0 HB3 ARG A 34 -1.616 -15.470 -0.445 1.00 14.51 H new ATOM 0 HG2 ARG A 34 -1.084 -14.548 1.878 1.00 43.04 H new ATOM 0 HG3 ARG A 34 0.426 -13.961 1.210 1.00 43.04 H new ATOM 0 HD2 ARG A 34 -1.158 -12.156 1.107 1.00 24.52 H new ATOM 0 HD3 ARG A 34 -0.881 -12.707 -0.534 1.00 24.52 H new ATOM 0 HE ARG A 34 -3.038 -13.943 -0.405 1.00 52.32 H new ATOM 0 HH11 ARG A 34 -2.407 -11.438 2.026 1.00 3.00 H new ATOM 0 HH12 ARG A 34 -4.123 -11.152 2.337 1.00 3.00 H new ATOM 0 HH21 ARG A 34 -5.228 -13.571 0.005 1.00 13.30 H new ATOM 0 HH22 ARG A 34 -5.718 -12.359 1.194 1.00 13.30 H new ATOM 574 N THR A 35 2.225 -17.204 0.706 1.00 2.01 N ATOM 575 CA THR A 35 3.519 -17.182 1.343 1.00 73.40 C ATOM 576 C THR A 35 4.229 -15.840 1.108 1.00 0.40 C ATOM 577 O THR A 35 3.795 -15.032 0.275 1.00 61.42 O ATOM 578 CB THR A 35 4.405 -18.375 0.883 1.00 15.22 C ATOM 579 OG1 THR A 35 5.602 -18.430 1.659 1.00 32.33 O ATOM 580 CG2 THR A 35 4.764 -18.269 -0.590 1.00 74.53 C ATOM 0 H THR A 35 2.188 -17.728 -0.168 1.00 2.01 H new ATOM 0 HA THR A 35 3.357 -17.292 2.415 1.00 73.40 H new ATOM 0 HB THR A 35 3.828 -19.287 1.032 1.00 15.22 H new ATOM 0 HG1 THR A 35 6.150 -19.186 1.361 1.00 32.33 H new ATOM 0 HG21 THR A 35 5.383 -19.119 -0.876 1.00 74.53 H new ATOM 0 HG22 THR A 35 3.852 -18.267 -1.187 1.00 74.53 H new ATOM 0 HG23 THR A 35 5.314 -17.344 -0.765 1.00 74.53 H new ATOM 588 N LYS A 36 5.310 -15.620 1.847 1.00 43.43 N ATOM 589 CA LYS A 36 6.078 -14.372 1.810 1.00 11.22 C ATOM 590 C LYS A 36 6.443 -13.941 0.384 1.00 4.31 C ATOM 591 O LYS A 36 6.135 -12.820 -0.036 1.00 23.54 O ATOM 592 CB LYS A 36 7.347 -14.531 2.657 1.00 24.13 C ATOM 593 CG LYS A 36 8.307 -13.361 2.576 1.00 2.41 C ATOM 594 CD LYS A 36 9.476 -13.539 3.525 1.00 74.04 C ATOM 595 CE LYS A 36 10.527 -12.464 3.315 1.00 13.44 C ATOM 596 NZ LYS A 36 11.231 -12.617 2.013 1.00 30.40 N ATOM 0 H LYS A 36 5.686 -16.309 2.498 1.00 43.43 H new ATOM 0 HA LYS A 36 5.446 -13.585 2.221 1.00 11.22 H new ATOM 0 HB2 LYS A 36 7.058 -14.676 3.698 1.00 24.13 H new ATOM 0 HB3 LYS A 36 7.868 -15.435 2.342 1.00 24.13 H new ATOM 0 HG2 LYS A 36 8.677 -13.261 1.555 1.00 2.41 H new ATOM 0 HG3 LYS A 36 7.779 -12.438 2.815 1.00 2.41 H new ATOM 0 HD2 LYS A 36 9.119 -13.506 4.555 1.00 74.04 H new ATOM 0 HD3 LYS A 36 9.923 -14.522 3.374 1.00 74.04 H new ATOM 0 HE2 LYS A 36 10.055 -11.483 3.358 1.00 13.44 H new ATOM 0 HE3 LYS A 36 11.254 -12.504 4.127 1.00 13.44 H new ATOM 0 HZ1 LYS A 36 11.904 -11.834 1.888 1.00 30.40 H new ATOM 0 HZ2 LYS A 36 11.746 -13.521 2.001 1.00 30.40 H new ATOM 0 HZ3 LYS A 36 10.536 -12.604 1.239 1.00 30.40 H new ATOM 610 N GLU A 37 7.088 -14.826 -0.355 1.00 4.45 N ATOM 611 CA GLU A 37 7.526 -14.508 -1.705 1.00 32.24 C ATOM 612 C GLU A 37 6.357 -14.461 -2.686 1.00 15.20 C ATOM 613 O GLU A 37 6.420 -13.768 -3.698 1.00 61.24 O ATOM 614 CB GLU A 37 8.588 -15.499 -2.171 1.00 75.24 C ATOM 615 CG GLU A 37 9.840 -15.503 -1.302 1.00 1.31 C ATOM 616 CD GLU A 37 10.520 -14.149 -1.245 1.00 31.34 C ATOM 617 OE1 GLU A 37 10.171 -13.336 -0.362 1.00 2.02 O ATOM 618 OE2 GLU A 37 11.417 -13.892 -2.077 1.00 40.43 O ATOM 0 H GLU A 37 7.320 -15.770 -0.045 1.00 4.45 H new ATOM 0 HA GLU A 37 7.967 -13.511 -1.681 1.00 32.24 H new ATOM 0 HB2 GLU A 37 8.159 -16.501 -2.181 1.00 75.24 H new ATOM 0 HB3 GLU A 37 8.869 -15.263 -3.197 1.00 75.24 H new ATOM 0 HG2 GLU A 37 9.574 -15.814 -0.292 1.00 1.31 H new ATOM 0 HG3 GLU A 37 10.543 -16.241 -1.688 1.00 1.31 H new ATOM 625 N GLU A 38 5.282 -15.180 -2.377 1.00 14.30 N ATOM 626 CA GLU A 38 4.106 -15.179 -3.238 1.00 32.43 C ATOM 627 C GLU A 38 3.407 -13.840 -3.152 1.00 2.53 C ATOM 628 O GLU A 38 3.008 -13.274 -4.165 1.00 4.22 O ATOM 629 CB GLU A 38 3.142 -16.303 -2.865 1.00 52.22 C ATOM 630 CG GLU A 38 1.891 -16.344 -3.727 1.00 3.44 C ATOM 631 CD GLU A 38 0.970 -17.478 -3.364 1.00 63.14 C ATOM 632 OE1 GLU A 38 1.132 -18.583 -3.922 1.00 52.43 O ATOM 633 OE2 GLU A 38 0.076 -17.277 -2.525 1.00 0.00 O ATOM 0 H GLU A 38 5.201 -15.765 -1.545 1.00 14.30 H new ATOM 0 HA GLU A 38 4.435 -15.349 -4.263 1.00 32.43 H new ATOM 0 HB2 GLU A 38 3.661 -17.258 -2.948 1.00 52.22 H new ATOM 0 HB3 GLU A 38 2.850 -16.188 -1.821 1.00 52.22 H new ATOM 0 HG2 GLU A 38 1.355 -15.400 -3.627 1.00 3.44 H new ATOM 0 HG3 GLU A 38 2.179 -16.437 -4.774 1.00 3.44 H new ATOM 640 N ALA A 39 3.270 -13.331 -1.931 1.00 42.32 N ATOM 641 CA ALA A 39 2.663 -12.032 -1.715 1.00 34.44 C ATOM 642 C ALA A 39 3.475 -10.970 -2.429 1.00 45.23 C ATOM 643 O ALA A 39 2.930 -10.025 -2.990 1.00 53.42 O ATOM 644 CB ALA A 39 2.573 -11.729 -0.226 1.00 33.10 C ATOM 0 H ALA A 39 3.573 -13.803 -1.079 1.00 42.32 H new ATOM 0 HA ALA A 39 1.651 -12.036 -2.120 1.00 34.44 H new ATOM 0 HB1 ALA A 39 2.115 -10.751 -0.081 1.00 33.10 H new ATOM 0 HB2 ALA A 39 1.966 -12.490 0.264 1.00 33.10 H new ATOM 0 HB3 ALA A 39 3.574 -11.729 0.206 1.00 33.10 H new ATOM 650 N LEU A 40 4.788 -11.152 -2.418 1.00 1.42 N ATOM 651 CA LEU A 40 5.698 -10.250 -3.090 1.00 4.41 C ATOM 652 C LEU A 40 5.447 -10.266 -4.595 1.00 43.35 C ATOM 653 O LEU A 40 5.239 -9.222 -5.203 1.00 74.11 O ATOM 654 CB LEU A 40 7.145 -10.645 -2.788 1.00 30.22 C ATOM 655 CG LEU A 40 8.227 -9.803 -3.463 1.00 1.10 C ATOM 656 CD1 LEU A 40 8.147 -8.355 -3.008 1.00 22.21 C ATOM 657 CD2 LEU A 40 9.600 -10.377 -3.173 1.00 73.04 C ATOM 0 H LEU A 40 5.247 -11.929 -1.942 1.00 1.42 H new ATOM 0 HA LEU A 40 5.525 -9.239 -2.722 1.00 4.41 H new ATOM 0 HB2 LEU A 40 7.296 -10.597 -1.710 1.00 30.22 H new ATOM 0 HB3 LEU A 40 7.285 -11.685 -3.083 1.00 30.22 H new ATOM 0 HG LEU A 40 8.060 -9.830 -4.540 1.00 1.10 H new ATOM 0 HD11 LEU A 40 8.927 -7.775 -3.502 1.00 22.21 H new ATOM 0 HD12 LEU A 40 7.171 -7.945 -3.268 1.00 22.21 H new ATOM 0 HD13 LEU A 40 8.286 -8.305 -1.928 1.00 22.21 H new ATOM 0 HD21 LEU A 40 10.360 -9.766 -3.661 1.00 73.04 H new ATOM 0 HD22 LEU A 40 9.773 -10.381 -2.097 1.00 73.04 H new ATOM 0 HD23 LEU A 40 9.656 -11.397 -3.553 1.00 73.04 H new ATOM 669 N GLU A 41 5.447 -11.462 -5.181 1.00 70.04 N ATOM 670 CA GLU A 41 5.210 -11.619 -6.616 1.00 20.23 C ATOM 671 C GLU A 41 3.838 -11.103 -7.013 1.00 12.30 C ATOM 672 O GLU A 41 3.678 -10.494 -8.071 1.00 24.42 O ATOM 673 CB GLU A 41 5.368 -13.079 -7.032 1.00 51.05 C ATOM 674 CG GLU A 41 6.812 -13.534 -7.089 1.00 1.11 C ATOM 675 CD GLU A 41 7.607 -12.759 -8.114 1.00 34.11 C ATOM 676 OE1 GLU A 41 8.102 -11.659 -7.789 1.00 10.10 O ATOM 677 OE2 GLU A 41 7.741 -13.243 -9.257 1.00 55.21 O ATOM 0 H GLU A 41 5.609 -12.338 -4.684 1.00 70.04 H new ATOM 0 HA GLU A 41 5.957 -11.022 -7.139 1.00 20.23 H new ATOM 0 HB2 GLU A 41 4.823 -13.710 -6.330 1.00 51.05 H new ATOM 0 HB3 GLU A 41 4.911 -13.222 -8.011 1.00 51.05 H new ATOM 0 HG2 GLU A 41 7.270 -13.413 -6.107 1.00 1.11 H new ATOM 0 HG3 GLU A 41 6.849 -14.597 -7.329 1.00 1.11 H new ATOM 684 N LEU A 42 2.854 -11.346 -6.158 1.00 13.22 N ATOM 685 CA LEU A 42 1.500 -10.884 -6.393 1.00 73.12 C ATOM 686 C LEU A 42 1.488 -9.364 -6.524 1.00 22.41 C ATOM 687 O LEU A 42 0.890 -8.810 -7.446 1.00 64.22 O ATOM 688 CB LEU A 42 0.592 -11.321 -5.237 1.00 13.41 C ATOM 689 CG LEU A 42 -0.891 -10.993 -5.392 1.00 25.45 C ATOM 690 CD1 LEU A 42 -1.502 -11.795 -6.530 1.00 73.02 C ATOM 691 CD2 LEU A 42 -1.634 -11.252 -4.090 1.00 73.00 C ATOM 0 H LEU A 42 2.974 -11.866 -5.289 1.00 13.22 H new ATOM 0 HA LEU A 42 1.127 -11.322 -7.319 1.00 73.12 H new ATOM 0 HB2 LEU A 42 0.694 -12.398 -5.108 1.00 13.41 H new ATOM 0 HB3 LEU A 42 0.953 -10.854 -4.321 1.00 13.41 H new ATOM 0 HG LEU A 42 -0.985 -9.934 -5.634 1.00 25.45 H new ATOM 0 HD11 LEU A 42 -2.559 -11.547 -6.624 1.00 73.02 H new ATOM 0 HD12 LEU A 42 -0.989 -11.555 -7.461 1.00 73.02 H new ATOM 0 HD13 LEU A 42 -1.397 -12.860 -6.322 1.00 73.02 H new ATOM 0 HD21 LEU A 42 -2.689 -11.013 -4.220 1.00 73.00 H new ATOM 0 HD22 LEU A 42 -1.531 -12.302 -3.815 1.00 73.00 H new ATOM 0 HD23 LEU A 42 -1.215 -10.627 -3.301 1.00 73.00 H new ATOM 703 N ILE A 43 2.174 -8.703 -5.603 1.00 63.34 N ATOM 704 CA ILE A 43 2.271 -7.256 -5.611 1.00 2.31 C ATOM 705 C ILE A 43 3.105 -6.780 -6.800 1.00 1.13 C ATOM 706 O ILE A 43 2.727 -5.835 -7.485 1.00 41.33 O ATOM 707 CB ILE A 43 2.878 -6.721 -4.284 1.00 61.34 C ATOM 708 CG1 ILE A 43 1.985 -7.100 -3.090 1.00 13.33 C ATOM 709 CG2 ILE A 43 3.083 -5.213 -4.341 1.00 22.13 C ATOM 710 CD1 ILE A 43 0.555 -6.604 -3.202 1.00 53.13 C ATOM 0 H ILE A 43 2.674 -9.153 -4.836 1.00 63.34 H new ATOM 0 HA ILE A 43 1.261 -6.858 -5.706 1.00 2.31 H new ATOM 0 HB ILE A 43 3.854 -7.187 -4.150 1.00 61.34 H new ATOM 0 HG12 ILE A 43 1.975 -8.185 -2.988 1.00 13.33 H new ATOM 0 HG13 ILE A 43 2.427 -6.699 -2.178 1.00 13.33 H new ATOM 0 HG21 ILE A 43 3.509 -4.868 -3.399 1.00 22.13 H new ATOM 0 HG22 ILE A 43 3.763 -4.969 -5.157 1.00 22.13 H new ATOM 0 HG23 ILE A 43 2.124 -4.722 -4.508 1.00 22.13 H new ATOM 0 HD11 ILE A 43 -0.007 -6.913 -2.321 1.00 53.13 H new ATOM 0 HD12 ILE A 43 0.552 -5.516 -3.272 1.00 53.13 H new ATOM 0 HD13 ILE A 43 0.092 -7.026 -4.094 1.00 53.13 H new ATOM 722 N ASN A 44 4.225 -7.458 -7.047 1.00 64.43 N ATOM 723 CA ASN A 44 5.117 -7.115 -8.163 1.00 60.10 C ATOM 724 C ASN A 44 4.366 -7.128 -9.484 1.00 32.11 C ATOM 725 O ASN A 44 4.408 -6.155 -10.242 1.00 21.13 O ATOM 726 CB ASN A 44 6.303 -8.084 -8.243 1.00 53.22 C ATOM 727 CG ASN A 44 7.305 -7.900 -7.121 1.00 2.41 C ATOM 728 OD1 ASN A 44 7.476 -6.799 -6.595 1.00 61.01 O ATOM 729 ND2 ASN A 44 7.979 -8.972 -6.750 1.00 3.32 N ATOM 0 H ASN A 44 4.540 -8.252 -6.489 1.00 64.43 H new ATOM 0 HA ASN A 44 5.494 -6.110 -7.977 1.00 60.10 H new ATOM 0 HB2 ASN A 44 5.929 -9.108 -8.222 1.00 53.22 H new ATOM 0 HB3 ASN A 44 6.809 -7.949 -9.199 1.00 53.22 H new ATOM 0 HD21 ASN A 44 8.670 -8.907 -6.003 1.00 3.32 H new ATOM 0 HD22 ASN A 44 7.809 -9.866 -7.210 1.00 3.32 H new ATOM 736 N GLY A 45 3.673 -8.231 -9.750 1.00 61.15 N ATOM 737 CA GLY A 45 2.910 -8.357 -10.975 1.00 33.24 C ATOM 738 C GLY A 45 1.864 -7.274 -11.109 1.00 75.21 C ATOM 739 O GLY A 45 1.696 -6.687 -12.180 1.00 55.22 O ATOM 0 H GLY A 45 3.627 -9.043 -9.134 1.00 61.15 H new ATOM 0 HA2 GLY A 45 3.586 -8.314 -11.829 1.00 33.24 H new ATOM 0 HA3 GLY A 45 2.426 -9.333 -11.001 1.00 33.24 H new ATOM 743 N TYR A 46 1.171 -6.996 -10.015 1.00 3.43 N ATOM 744 CA TYR A 46 0.148 -5.964 -10.002 1.00 2.31 C ATOM 745 C TYR A 46 0.763 -4.592 -10.250 1.00 15.11 C ATOM 746 O TYR A 46 0.236 -3.807 -11.035 1.00 21.34 O ATOM 747 CB TYR A 46 -0.628 -5.986 -8.682 1.00 52.30 C ATOM 748 CG TYR A 46 -1.587 -7.161 -8.547 1.00 54.34 C ATOM 749 CD1 TYR A 46 -1.706 -8.116 -9.555 1.00 1.45 C ATOM 750 CD2 TYR A 46 -2.380 -7.307 -7.418 1.00 42.54 C ATOM 751 CE1 TYR A 46 -2.582 -9.173 -9.438 1.00 45.04 C ATOM 752 CE2 TYR A 46 -3.260 -8.366 -7.294 1.00 51.42 C ATOM 753 CZ TYR A 46 -3.356 -9.294 -8.308 1.00 41.51 C ATOM 754 OH TYR A 46 -4.238 -10.347 -8.195 1.00 21.22 O ATOM 0 H TYR A 46 1.300 -7.473 -9.123 1.00 3.43 H new ATOM 0 HA TYR A 46 -0.555 -6.170 -10.809 1.00 2.31 H new ATOM 0 HB2 TYR A 46 0.082 -6.013 -7.855 1.00 52.30 H new ATOM 0 HB3 TYR A 46 -1.191 -5.058 -8.588 1.00 52.30 H new ATOM 0 HD1 TYR A 46 -1.100 -8.026 -10.445 1.00 1.45 H new ATOM 0 HD2 TYR A 46 -2.309 -6.581 -6.622 1.00 42.54 H new ATOM 0 HE1 TYR A 46 -2.660 -9.903 -10.230 1.00 45.04 H new ATOM 0 HE2 TYR A 46 -3.869 -8.465 -6.407 1.00 51.42 H new ATOM 0 HH TYR A 46 -5.043 -10.050 -7.722 1.00 21.22 H new ATOM 764 N ILE A 47 1.889 -4.317 -9.594 1.00 12.31 N ATOM 765 CA ILE A 47 2.609 -3.058 -9.777 1.00 30.33 C ATOM 766 C ILE A 47 2.956 -2.843 -11.249 1.00 43.40 C ATOM 767 O ILE A 47 2.800 -1.740 -11.784 1.00 21.42 O ATOM 768 CB ILE A 47 3.909 -3.016 -8.917 1.00 3.40 C ATOM 769 CG1 ILE A 47 3.566 -2.815 -7.437 1.00 13.54 C ATOM 770 CG2 ILE A 47 4.866 -1.931 -9.405 1.00 14.43 C ATOM 771 CD1 ILE A 47 4.778 -2.783 -6.525 1.00 3.24 C ATOM 0 H ILE A 47 2.325 -4.954 -8.927 1.00 12.31 H new ATOM 0 HA ILE A 47 1.951 -2.255 -9.445 1.00 30.33 H new ATOM 0 HB ILE A 47 4.416 -3.975 -9.028 1.00 3.40 H new ATOM 0 HG12 ILE A 47 3.014 -1.881 -7.325 1.00 13.54 H new ATOM 0 HG13 ILE A 47 2.902 -3.618 -7.115 1.00 13.54 H new ATOM 0 HG21 ILE A 47 5.761 -1.929 -8.784 1.00 14.43 H new ATOM 0 HG22 ILE A 47 5.143 -2.129 -10.440 1.00 14.43 H new ATOM 0 HG23 ILE A 47 4.377 -0.959 -9.340 1.00 14.43 H new ATOM 0 HD11 ILE A 47 4.454 -2.638 -5.494 1.00 3.24 H new ATOM 0 HD12 ILE A 47 5.319 -3.726 -6.606 1.00 3.24 H new ATOM 0 HD13 ILE A 47 5.433 -1.963 -6.819 1.00 3.24 H new ATOM 783 N GLN A 48 3.401 -3.910 -11.902 1.00 24.44 N ATOM 784 CA GLN A 48 3.754 -3.850 -13.317 1.00 25.15 C ATOM 785 C GLN A 48 2.544 -3.453 -14.155 1.00 71.01 C ATOM 786 O GLN A 48 2.654 -2.651 -15.085 1.00 71.22 O ATOM 787 CB GLN A 48 4.313 -5.195 -13.794 1.00 31.34 C ATOM 788 CG GLN A 48 5.564 -5.633 -13.051 1.00 72.35 C ATOM 789 CD GLN A 48 6.690 -4.624 -13.157 1.00 72.32 C ATOM 790 OE1 GLN A 48 6.788 -3.699 -12.350 1.00 13.10 O ATOM 791 NE2 GLN A 48 7.558 -4.801 -14.136 1.00 12.11 N ATOM 0 H GLN A 48 3.526 -4.828 -11.475 1.00 24.44 H new ATOM 0 HA GLN A 48 4.527 -3.092 -13.442 1.00 25.15 H new ATOM 0 HB2 GLN A 48 3.545 -5.960 -13.677 1.00 31.34 H new ATOM 0 HB3 GLN A 48 4.538 -5.128 -14.859 1.00 31.34 H new ATOM 0 HG2 GLN A 48 5.321 -5.791 -12.000 1.00 72.35 H new ATOM 0 HG3 GLN A 48 5.901 -6.591 -13.448 1.00 72.35 H new ATOM 0 HE21 GLN A 48 7.443 -5.579 -14.785 1.00 12.11 H new ATOM 0 HE22 GLN A 48 8.344 -4.159 -14.243 1.00 12.11 H new ATOM 800 N LYS A 49 1.386 -3.993 -13.804 1.00 43.21 N ATOM 801 CA LYS A 49 0.162 -3.687 -14.518 1.00 4.34 C ATOM 802 C LYS A 49 -0.296 -2.261 -14.225 1.00 55.01 C ATOM 803 O LYS A 49 -0.662 -1.524 -15.135 1.00 3.23 O ATOM 804 CB LYS A 49 -0.938 -4.686 -14.155 1.00 51.52 C ATOM 805 CG LYS A 49 -0.586 -6.127 -14.475 1.00 71.12 C ATOM 806 CD LYS A 49 -1.742 -7.064 -14.175 1.00 3.01 C ATOM 807 CE LYS A 49 -1.360 -8.510 -14.442 1.00 2.41 C ATOM 808 NZ LYS A 49 -2.507 -9.434 -14.259 1.00 32.44 N ATOM 0 H LYS A 49 1.272 -4.645 -13.028 1.00 43.21 H new ATOM 0 HA LYS A 49 0.365 -3.768 -15.586 1.00 4.34 H new ATOM 0 HB2 LYS A 49 -1.155 -4.603 -13.090 1.00 51.52 H new ATOM 0 HB3 LYS A 49 -1.850 -4.418 -14.688 1.00 51.52 H new ATOM 0 HG2 LYS A 49 -0.313 -6.210 -15.527 1.00 71.12 H new ATOM 0 HG3 LYS A 49 0.286 -6.427 -13.894 1.00 71.12 H new ATOM 0 HD2 LYS A 49 -2.044 -6.951 -13.134 1.00 3.01 H new ATOM 0 HD3 LYS A 49 -2.602 -6.793 -14.788 1.00 3.01 H new ATOM 0 HE2 LYS A 49 -0.980 -8.602 -15.459 1.00 2.41 H new ATOM 0 HE3 LYS A 49 -0.551 -8.800 -13.772 1.00 2.41 H new ATOM 0 HZ1 LYS A 49 -2.201 -10.409 -14.451 1.00 32.44 H new ATOM 0 HZ2 LYS A 49 -2.855 -9.367 -13.281 1.00 32.44 H new ATOM 0 HZ3 LYS A 49 -3.270 -9.175 -14.916 1.00 32.44 H new ATOM 822 N ILE A 50 -0.246 -1.870 -12.957 1.00 4.51 N ATOM 823 CA ILE A 50 -0.675 -0.533 -12.540 1.00 70.41 C ATOM 824 C ILE A 50 0.123 0.559 -13.254 1.00 54.34 C ATOM 825 O ILE A 50 -0.456 1.496 -13.805 1.00 71.31 O ATOM 826 CB ILE A 50 -0.544 -0.342 -11.008 1.00 20.31 C ATOM 827 CG1 ILE A 50 -1.408 -1.363 -10.265 1.00 1.14 C ATOM 828 CG2 ILE A 50 -0.937 1.079 -10.606 1.00 71.21 C ATOM 829 CD1 ILE A 50 -1.254 -1.309 -8.761 1.00 14.11 C ATOM 0 H ILE A 50 0.088 -2.460 -12.195 1.00 4.51 H new ATOM 0 HA ILE A 50 -1.725 -0.445 -12.817 1.00 70.41 H new ATOM 0 HB ILE A 50 0.498 -0.502 -10.732 1.00 20.31 H new ATOM 0 HG12 ILE A 50 -2.454 -1.195 -10.521 1.00 1.14 H new ATOM 0 HG13 ILE A 50 -1.152 -2.364 -10.612 1.00 1.14 H new ATOM 0 HG21 ILE A 50 -0.838 1.192 -9.526 1.00 71.21 H new ATOM 0 HG22 ILE A 50 -0.283 1.793 -11.107 1.00 71.21 H new ATOM 0 HG23 ILE A 50 -1.970 1.267 -10.897 1.00 71.21 H new ATOM 0 HD11 ILE A 50 -1.896 -2.061 -8.302 1.00 14.11 H new ATOM 0 HD12 ILE A 50 -0.216 -1.507 -8.494 1.00 14.11 H new ATOM 0 HD13 ILE A 50 -1.539 -0.320 -8.401 1.00 14.11 H new ATOM 841 N LYS A 51 1.449 0.424 -13.266 1.00 24.52 N ATOM 842 CA LYS A 51 2.310 1.425 -13.904 1.00 44.05 C ATOM 843 C LYS A 51 2.052 1.520 -15.406 1.00 60.31 C ATOM 844 O LYS A 51 2.265 2.566 -16.014 1.00 14.41 O ATOM 845 CB LYS A 51 3.792 1.132 -13.648 1.00 14.01 C ATOM 846 CG LYS A 51 4.203 1.247 -12.188 1.00 53.04 C ATOM 847 CD LYS A 51 5.718 1.235 -12.026 1.00 60.21 C ATOM 848 CE LYS A 51 6.337 -0.070 -12.505 1.00 1.12 C ATOM 849 NZ LYS A 51 7.819 -0.050 -12.399 1.00 62.13 N ATOM 0 H LYS A 51 1.949 -0.360 -12.846 1.00 24.52 H new ATOM 0 HA LYS A 51 2.060 2.385 -13.453 1.00 44.05 H new ATOM 0 HB2 LYS A 51 4.019 0.126 -14.000 1.00 14.01 H new ATOM 0 HB3 LYS A 51 4.395 1.820 -14.240 1.00 14.01 H new ATOM 0 HG2 LYS A 51 3.799 2.168 -11.768 1.00 53.04 H new ATOM 0 HG3 LYS A 51 3.770 0.422 -11.622 1.00 53.04 H new ATOM 0 HD2 LYS A 51 6.148 2.066 -12.585 1.00 60.21 H new ATOM 0 HD3 LYS A 51 5.971 1.392 -10.977 1.00 60.21 H new ATOM 0 HE2 LYS A 51 5.942 -0.897 -11.916 1.00 1.12 H new ATOM 0 HE3 LYS A 51 6.049 -0.250 -13.541 1.00 1.12 H new ATOM 0 HZ1 LYS A 51 8.203 -0.956 -12.735 1.00 62.13 H new ATOM 0 HZ2 LYS A 51 8.198 0.724 -12.981 1.00 62.13 H new ATOM 0 HZ3 LYS A 51 8.094 0.096 -11.407 1.00 62.13 H new ATOM 863 N SER A 52 1.577 0.435 -15.992 1.00 75.25 N ATOM 864 CA SER A 52 1.310 0.396 -17.420 1.00 62.41 C ATOM 865 C SER A 52 -0.139 0.803 -17.727 1.00 11.44 C ATOM 866 O SER A 52 -0.536 0.913 -18.890 1.00 35.41 O ATOM 867 CB SER A 52 1.588 -1.007 -17.955 1.00 54.13 C ATOM 868 OG SER A 52 2.872 -1.458 -17.542 1.00 23.53 O ATOM 0 H SER A 52 1.368 -0.433 -15.500 1.00 75.25 H new ATOM 0 HA SER A 52 1.969 1.111 -17.913 1.00 62.41 H new ATOM 0 HB2 SER A 52 0.823 -1.696 -17.597 1.00 54.13 H new ATOM 0 HB3 SER A 52 1.531 -1.004 -19.044 1.00 54.13 H new ATOM 0 HG SER A 52 2.790 -1.954 -16.701 1.00 23.53 H new ATOM 874 N GLY A 53 -0.921 1.033 -16.678 1.00 51.55 N ATOM 875 CA GLY A 53 -2.315 1.399 -16.854 1.00 25.23 C ATOM 876 C GLY A 53 -3.169 0.199 -17.207 1.00 51.11 C ATOM 877 O GLY A 53 -4.199 0.325 -17.870 1.00 34.43 O ATOM 0 H GLY A 53 -0.614 0.972 -15.707 1.00 51.55 H new ATOM 0 HA2 GLY A 53 -2.690 1.856 -15.938 1.00 25.23 H new ATOM 0 HA3 GLY A 53 -2.398 2.149 -17.641 1.00 25.23 H new ATOM 881 N GLU A 54 -2.731 -0.964 -16.762 1.00 32.02 N ATOM 882 CA GLU A 54 -3.416 -2.218 -17.035 1.00 45.32 C ATOM 883 C GLU A 54 -4.127 -2.737 -15.799 1.00 75.41 C ATOM 884 O GLU A 54 -4.632 -3.859 -15.794 1.00 51.41 O ATOM 885 CB GLU A 54 -2.412 -3.266 -17.514 1.00 3.34 C ATOM 886 CG GLU A 54 -1.922 -3.053 -18.928 1.00 52.21 C ATOM 887 CD GLU A 54 -3.018 -3.263 -19.945 1.00 74.43 C ATOM 888 OE1 GLU A 54 -3.354 -4.432 -20.227 1.00 32.40 O ATOM 889 OE2 GLU A 54 -3.554 -2.267 -20.462 1.00 74.14 O ATOM 0 H GLU A 54 -1.887 -1.068 -16.199 1.00 32.02 H new ATOM 0 HA GLU A 54 -4.159 -2.031 -17.811 1.00 45.32 H new ATOM 0 HB2 GLU A 54 -1.555 -3.266 -16.841 1.00 3.34 H new ATOM 0 HB3 GLU A 54 -2.872 -4.252 -17.445 1.00 3.34 H new ATOM 0 HG2 GLU A 54 -1.526 -2.042 -19.026 1.00 52.21 H new ATOM 0 HG3 GLU A 54 -1.100 -3.739 -19.134 1.00 52.21 H new ATOM 896 N GLU A 55 -4.174 -1.931 -14.754 1.00 1.45 N ATOM 897 CA GLU A 55 -4.799 -2.355 -13.518 1.00 54.20 C ATOM 898 C GLU A 55 -5.192 -1.156 -12.663 1.00 43.10 C ATOM 899 O GLU A 55 -4.584 -0.086 -12.764 1.00 65.22 O ATOM 900 CB GLU A 55 -3.849 -3.273 -12.744 1.00 34.24 C ATOM 901 CG GLU A 55 -4.501 -4.003 -11.594 1.00 25.32 C ATOM 902 CD GLU A 55 -5.655 -4.873 -12.043 1.00 50.54 C ATOM 903 OE1 GLU A 55 -6.763 -4.335 -12.265 1.00 3.40 O ATOM 904 OE2 GLU A 55 -5.461 -6.099 -12.177 1.00 72.21 O ATOM 0 H GLU A 55 -3.790 -0.986 -14.737 1.00 1.45 H new ATOM 0 HA GLU A 55 -5.708 -2.904 -13.762 1.00 54.20 H new ATOM 0 HB2 GLU A 55 -3.426 -4.005 -13.432 1.00 34.24 H new ATOM 0 HB3 GLU A 55 -3.019 -2.680 -12.360 1.00 34.24 H new ATOM 0 HG2 GLU A 55 -3.757 -4.621 -11.091 1.00 25.32 H new ATOM 0 HG3 GLU A 55 -4.859 -3.278 -10.863 1.00 25.32 H new ATOM 911 N ASP A 56 -6.211 -1.339 -11.831 1.00 62.45 N ATOM 912 CA ASP A 56 -6.686 -0.283 -10.945 1.00 24.24 C ATOM 913 C ASP A 56 -6.159 -0.493 -9.541 1.00 50.30 C ATOM 914 O ASP A 56 -6.522 -1.468 -8.878 1.00 11.31 O ATOM 915 CB ASP A 56 -8.220 -0.240 -10.896 1.00 60.41 C ATOM 916 CG ASP A 56 -8.861 0.097 -12.220 1.00 62.24 C ATOM 917 OD1 ASP A 56 -8.759 1.261 -12.659 1.00 62.31 O ATOM 918 OD2 ASP A 56 -9.481 -0.802 -12.829 1.00 71.50 O ATOM 0 H ASP A 56 -6.727 -2.215 -11.752 1.00 62.45 H new ATOM 0 HA ASP A 56 -6.318 0.663 -11.343 1.00 24.24 H new ATOM 0 HB2 ASP A 56 -8.591 -1.208 -10.559 1.00 60.41 H new ATOM 0 HB3 ASP A 56 -8.530 0.496 -10.154 1.00 60.41 H new ATOM 923 N PHE A 57 -5.314 0.419 -9.085 1.00 3.00 N ATOM 924 CA PHE A 57 -4.755 0.353 -7.734 1.00 25.34 C ATOM 925 C PHE A 57 -5.878 0.333 -6.697 1.00 32.03 C ATOM 926 O PHE A 57 -5.846 -0.441 -5.736 1.00 14.11 O ATOM 927 CB PHE A 57 -3.833 1.559 -7.489 1.00 43.44 C ATOM 928 CG PHE A 57 -3.231 1.608 -6.109 1.00 40.25 C ATOM 929 CD1 PHE A 57 -2.054 0.939 -5.827 1.00 43.15 C ATOM 930 CD2 PHE A 57 -3.846 2.328 -5.091 1.00 63.11 C ATOM 931 CE1 PHE A 57 -1.500 0.983 -4.567 1.00 13.41 C ATOM 932 CE2 PHE A 57 -3.294 2.374 -3.828 1.00 75.42 C ATOM 933 CZ PHE A 57 -2.119 1.701 -3.566 1.00 55.53 C ATOM 0 H PHE A 57 -4.996 1.220 -9.631 1.00 3.00 H new ATOM 0 HA PHE A 57 -4.174 -0.564 -7.638 1.00 25.34 H new ATOM 0 HB2 PHE A 57 -3.028 1.541 -8.224 1.00 43.44 H new ATOM 0 HB3 PHE A 57 -4.399 2.475 -7.659 1.00 43.44 H new ATOM 0 HD1 PHE A 57 -1.563 0.374 -6.606 1.00 43.15 H new ATOM 0 HD2 PHE A 57 -4.766 2.857 -5.291 1.00 63.11 H new ATOM 0 HE1 PHE A 57 -0.580 0.455 -4.363 1.00 13.41 H new ATOM 0 HE2 PHE A 57 -3.781 2.936 -3.045 1.00 75.42 H new ATOM 0 HZ PHE A 57 -1.684 1.736 -2.578 1.00 55.53 H new ATOM 943 N GLU A 58 -6.869 1.184 -6.916 1.00 21.44 N ATOM 944 CA GLU A 58 -8.019 1.304 -6.032 1.00 10.33 C ATOM 945 C GLU A 58 -8.742 -0.028 -5.902 1.00 24.21 C ATOM 946 O GLU A 58 -9.008 -0.496 -4.799 1.00 44.41 O ATOM 947 CB GLU A 58 -9.010 2.352 -6.559 1.00 5.22 C ATOM 948 CG GLU A 58 -8.380 3.652 -7.039 1.00 22.34 C ATOM 949 CD GLU A 58 -7.824 3.538 -8.442 1.00 42.23 C ATOM 950 OE1 GLU A 58 -8.604 3.660 -9.404 1.00 40.44 O ATOM 951 OE2 GLU A 58 -6.610 3.309 -8.587 1.00 71.31 O ATOM 0 H GLU A 58 -6.898 1.815 -7.717 1.00 21.44 H new ATOM 0 HA GLU A 58 -7.646 1.615 -5.056 1.00 10.33 H new ATOM 0 HB2 GLU A 58 -9.574 1.914 -7.382 1.00 5.22 H new ATOM 0 HB3 GLU A 58 -9.725 2.583 -5.769 1.00 5.22 H new ATOM 0 HG2 GLU A 58 -9.125 4.447 -7.010 1.00 22.34 H new ATOM 0 HG3 GLU A 58 -7.581 3.939 -6.356 1.00 22.34 H new ATOM 958 N SER A 59 -9.039 -0.640 -7.045 1.00 31.41 N ATOM 959 CA SER A 59 -9.762 -1.898 -7.078 1.00 70.41 C ATOM 960 C SER A 59 -8.977 -2.988 -6.355 1.00 71.43 C ATOM 961 O SER A 59 -9.552 -3.825 -5.672 1.00 11.24 O ATOM 962 CB SER A 59 -10.051 -2.309 -8.526 1.00 41.51 C ATOM 963 OG SER A 59 -11.068 -3.296 -8.588 1.00 12.52 O ATOM 0 H SER A 59 -8.786 -0.278 -7.964 1.00 31.41 H new ATOM 0 HA SER A 59 -10.712 -1.764 -6.561 1.00 70.41 H new ATOM 0 HB2 SER A 59 -10.355 -1.434 -9.101 1.00 41.51 H new ATOM 0 HB3 SER A 59 -9.140 -2.693 -8.986 1.00 41.51 H new ATOM 0 HG SER A 59 -11.232 -3.538 -9.523 1.00 12.52 H new ATOM 969 N LEU A 60 -7.661 -2.961 -6.500 1.00 35.05 N ATOM 970 CA LEU A 60 -6.799 -3.926 -5.832 1.00 22.21 C ATOM 971 C LEU A 60 -6.914 -3.782 -4.325 1.00 73.24 C ATOM 972 O LEU A 60 -6.985 -4.777 -3.597 1.00 14.11 O ATOM 973 CB LEU A 60 -5.350 -3.749 -6.276 1.00 54.13 C ATOM 974 CG LEU A 60 -4.901 -4.593 -7.473 1.00 21.44 C ATOM 975 CD1 LEU A 60 -5.945 -4.588 -8.575 1.00 32.32 C ATOM 976 CD2 LEU A 60 -3.580 -4.077 -8.003 1.00 20.12 C ATOM 0 H LEU A 60 -7.165 -2.280 -7.075 1.00 35.05 H new ATOM 0 HA LEU A 60 -7.123 -4.929 -6.111 1.00 22.21 H new ATOM 0 HB2 LEU A 60 -5.192 -2.698 -6.519 1.00 54.13 H new ATOM 0 HB3 LEU A 60 -4.702 -3.981 -5.431 1.00 54.13 H new ATOM 0 HG LEU A 60 -4.777 -5.622 -7.134 1.00 21.44 H new ATOM 0 HD11 LEU A 60 -5.596 -5.196 -9.410 1.00 32.32 H new ATOM 0 HD12 LEU A 60 -6.879 -4.999 -8.193 1.00 32.32 H new ATOM 0 HD13 LEU A 60 -6.110 -3.566 -8.915 1.00 32.32 H new ATOM 0 HD21 LEU A 60 -3.268 -4.683 -8.854 1.00 20.12 H new ATOM 0 HD22 LEU A 60 -3.695 -3.040 -8.318 1.00 20.12 H new ATOM 0 HD23 LEU A 60 -2.825 -4.137 -7.219 1.00 20.12 H new ATOM 988 N ALA A 61 -6.950 -2.546 -3.862 1.00 52.11 N ATOM 989 CA ALA A 61 -7.098 -2.274 -2.450 1.00 74.15 C ATOM 990 C ALA A 61 -8.471 -2.725 -1.972 1.00 41.25 C ATOM 991 O ALA A 61 -8.597 -3.371 -0.943 1.00 61.54 O ATOM 992 CB ALA A 61 -6.891 -0.792 -2.165 1.00 45.32 C ATOM 0 H ALA A 61 -6.878 -1.714 -4.448 1.00 52.11 H new ATOM 0 HA ALA A 61 -6.338 -2.834 -1.905 1.00 74.15 H new ATOM 0 HB1 ALA A 61 -7.006 -0.607 -1.097 1.00 45.32 H new ATOM 0 HB2 ALA A 61 -5.889 -0.498 -2.478 1.00 45.32 H new ATOM 0 HB3 ALA A 61 -7.629 -0.209 -2.716 1.00 45.32 H new ATOM 998 N SER A 62 -9.486 -2.414 -2.756 1.00 34.12 N ATOM 999 CA SER A 62 -10.865 -2.752 -2.426 1.00 31.12 C ATOM 1000 C SER A 62 -11.185 -4.245 -2.652 1.00 54.22 C ATOM 1001 O SER A 62 -12.344 -4.653 -2.555 1.00 63.15 O ATOM 1002 CB SER A 62 -11.810 -1.882 -3.256 1.00 24.10 C ATOM 1003 OG SER A 62 -11.537 -0.507 -3.042 1.00 30.32 O ATOM 0 H SER A 62 -9.381 -1.919 -3.642 1.00 34.12 H new ATOM 0 HA SER A 62 -11.005 -2.559 -1.363 1.00 31.12 H new ATOM 0 HB2 SER A 62 -11.698 -2.121 -4.314 1.00 24.10 H new ATOM 0 HB3 SER A 62 -12.844 -2.099 -2.988 1.00 24.10 H new ATOM 0 HG SER A 62 -11.673 -0.290 -2.096 1.00 30.32 H new ATOM 1009 N GLN A 63 -10.171 -5.055 -2.940 1.00 20.54 N ATOM 1010 CA GLN A 63 -10.396 -6.479 -3.188 1.00 35.11 C ATOM 1011 C GLN A 63 -9.402 -7.371 -2.453 1.00 31.24 C ATOM 1012 O GLN A 63 -9.796 -8.349 -1.817 1.00 34.23 O ATOM 1013 CB GLN A 63 -10.351 -6.784 -4.689 1.00 0.12 C ATOM 1014 CG GLN A 63 -11.507 -6.192 -5.486 1.00 51.23 C ATOM 1015 CD GLN A 63 -11.370 -6.413 -6.985 1.00 44.12 C ATOM 1016 OE1 GLN A 63 -12.365 -6.536 -7.699 1.00 1.14 O ATOM 1017 NE2 GLN A 63 -10.143 -6.446 -7.472 1.00 3.12 N ATOM 0 H GLN A 63 -9.198 -4.758 -3.007 1.00 20.54 H new ATOM 0 HA GLN A 63 -11.389 -6.704 -2.798 1.00 35.11 H new ATOM 0 HB2 GLN A 63 -9.413 -6.406 -5.096 1.00 0.12 H new ATOM 0 HB3 GLN A 63 -10.346 -7.865 -4.828 1.00 0.12 H new ATOM 0 HG2 GLN A 63 -12.442 -6.635 -5.143 1.00 51.23 H new ATOM 0 HG3 GLN A 63 -11.569 -5.122 -5.286 1.00 51.23 H new ATOM 0 HE21 GLN A 63 -9.343 -6.340 -6.848 1.00 3.12 H new ATOM 0 HE22 GLN A 63 -9.995 -6.577 -8.473 1.00 3.12 H new ATOM 1026 N PHE A 64 -8.126 -7.042 -2.540 1.00 13.23 N ATOM 1027 CA PHE A 64 -7.087 -7.875 -1.943 1.00 11.13 C ATOM 1028 C PHE A 64 -6.626 -7.336 -0.593 1.00 3.05 C ATOM 1029 O PHE A 64 -6.137 -8.092 0.252 1.00 71.44 O ATOM 1030 CB PHE A 64 -5.900 -8.010 -2.903 1.00 34.12 C ATOM 1031 CG PHE A 64 -6.282 -8.587 -4.238 1.00 44.20 C ATOM 1032 CD1 PHE A 64 -6.400 -9.957 -4.409 1.00 14.42 C ATOM 1033 CD2 PHE A 64 -6.532 -7.757 -5.321 1.00 32.41 C ATOM 1034 CE1 PHE A 64 -6.760 -10.488 -5.631 1.00 42.13 C ATOM 1035 CE2 PHE A 64 -6.891 -8.283 -6.548 1.00 34.41 C ATOM 1036 CZ PHE A 64 -7.006 -9.650 -6.702 1.00 32.31 C ATOM 0 H PHE A 64 -7.781 -6.208 -3.015 1.00 13.23 H new ATOM 0 HA PHE A 64 -7.517 -8.861 -1.766 1.00 11.13 H new ATOM 0 HB2 PHE A 64 -5.449 -7.029 -3.054 1.00 34.12 H new ATOM 0 HB3 PHE A 64 -5.140 -8.643 -2.445 1.00 34.12 H new ATOM 0 HD1 PHE A 64 -6.208 -10.617 -3.576 1.00 14.42 H new ATOM 0 HD2 PHE A 64 -6.445 -6.687 -5.204 1.00 32.41 H new ATOM 0 HE1 PHE A 64 -6.849 -11.558 -5.750 1.00 42.13 H new ATOM 0 HE2 PHE A 64 -7.081 -7.626 -7.384 1.00 34.41 H new ATOM 0 HZ PHE A 64 -7.288 -10.064 -7.659 1.00 32.31 H new ATOM 1046 N SER A 65 -6.784 -6.042 -0.385 1.00 2.15 N ATOM 1047 CA SER A 65 -6.387 -5.445 0.870 1.00 21.01 C ATOM 1048 C SER A 65 -7.466 -5.689 1.916 1.00 34.44 C ATOM 1049 O SER A 65 -8.657 -5.550 1.635 1.00 1.51 O ATOM 1050 CB SER A 65 -6.123 -3.946 0.701 1.00 75.41 C ATOM 1051 OG SER A 65 -5.468 -3.407 1.840 1.00 34.44 O ATOM 0 H SER A 65 -7.181 -5.392 -1.064 1.00 2.15 H new ATOM 0 HA SER A 65 -5.459 -5.909 1.204 1.00 21.01 H new ATOM 0 HB2 SER A 65 -5.511 -3.780 -0.186 1.00 75.41 H new ATOM 0 HB3 SER A 65 -7.066 -3.424 0.540 1.00 75.41 H new ATOM 0 HG SER A 65 -4.867 -4.081 2.221 1.00 34.44 H new ATOM 1057 N ASP A 66 -7.049 -6.071 3.106 1.00 73.42 N ATOM 1058 CA ASP A 66 -7.984 -6.367 4.185 1.00 1.32 C ATOM 1059 C ASP A 66 -8.093 -5.202 5.148 1.00 2.12 C ATOM 1060 O ASP A 66 -8.830 -5.261 6.133 1.00 30.41 O ATOM 1061 CB ASP A 66 -7.544 -7.617 4.937 1.00 15.35 C ATOM 1062 CG ASP A 66 -6.216 -7.432 5.640 1.00 3.24 C ATOM 1063 OD1 ASP A 66 -5.177 -7.428 4.957 1.00 54.12 O ATOM 1064 OD2 ASP A 66 -6.206 -7.289 6.881 1.00 54.12 O ATOM 0 H ASP A 66 -6.067 -6.186 3.356 1.00 73.42 H new ATOM 0 HA ASP A 66 -8.964 -6.540 3.741 1.00 1.32 H new ATOM 0 HB2 ASP A 66 -8.306 -7.883 5.670 1.00 15.35 H new ATOM 0 HB3 ASP A 66 -7.469 -8.450 4.238 1.00 15.35 H new ATOM 1069 N ALA A 67 -7.362 -4.151 4.868 1.00 44.24 N ATOM 1070 CA ALA A 67 -7.366 -2.985 5.717 1.00 63.41 C ATOM 1071 C ALA A 67 -8.495 -2.050 5.333 1.00 43.01 C ATOM 1072 O ALA A 67 -9.218 -2.298 4.362 1.00 33.35 O ATOM 1073 CB ALA A 67 -6.032 -2.268 5.628 1.00 2.34 C ATOM 0 H ALA A 67 -6.753 -4.079 4.053 1.00 44.24 H new ATOM 0 HA ALA A 67 -7.523 -3.306 6.747 1.00 63.41 H new ATOM 0 HB1 ALA A 67 -6.047 -1.390 6.273 1.00 2.34 H new ATOM 0 HB2 ALA A 67 -5.236 -2.940 5.949 1.00 2.34 H new ATOM 0 HB3 ALA A 67 -5.853 -1.959 4.598 1.00 2.34 H new ATOM 1079 N SER A 68 -8.633 -0.962 6.078 1.00 34.21 N ATOM 1080 CA SER A 68 -9.659 0.034 5.807 1.00 32.43 C ATOM 1081 C SER A 68 -9.412 0.694 4.449 1.00 41.55 C ATOM 1082 O SER A 68 -10.273 1.398 3.913 1.00 24.14 O ATOM 1083 CB SER A 68 -9.660 1.073 6.917 1.00 61.43 C ATOM 1084 OG SER A 68 -9.695 0.439 8.188 1.00 22.13 O ATOM 0 H SER A 68 -8.042 -0.746 6.881 1.00 34.21 H new ATOM 0 HA SER A 68 -10.635 -0.451 5.775 1.00 32.43 H new ATOM 0 HB2 SER A 68 -8.770 1.698 6.840 1.00 61.43 H new ATOM 0 HB3 SER A 68 -10.522 1.731 6.808 1.00 61.43 H new ATOM 0 HG SER A 68 -9.694 1.120 8.893 1.00 22.13 H new ATOM 1090 N SER A 69 -8.227 0.438 3.898 1.00 10.13 N ATOM 1091 CA SER A 69 -7.838 0.935 2.600 1.00 42.51 C ATOM 1092 C SER A 69 -8.821 0.455 1.539 1.00 61.13 C ATOM 1093 O SER A 69 -9.099 1.160 0.580 1.00 2.44 O ATOM 1094 CB SER A 69 -6.437 0.433 2.274 1.00 15.33 C ATOM 1095 OG SER A 69 -5.583 0.574 3.401 1.00 50.32 O ATOM 0 H SER A 69 -7.510 -0.127 4.353 1.00 10.13 H new ATOM 0 HA SER A 69 -7.844 2.025 2.612 1.00 42.51 H new ATOM 0 HB2 SER A 69 -6.480 -0.613 1.972 1.00 15.33 H new ATOM 0 HB3 SER A 69 -6.031 0.992 1.431 1.00 15.33 H new ATOM 0 HG SER A 69 -5.396 1.524 3.553 1.00 50.32 H new ATOM 1101 N ALA A 70 -9.358 -0.746 1.742 1.00 62.21 N ATOM 1102 CA ALA A 70 -10.316 -1.336 0.822 1.00 20.33 C ATOM 1103 C ALA A 70 -11.549 -0.454 0.670 1.00 21.03 C ATOM 1104 O ALA A 70 -12.026 -0.218 -0.434 1.00 3.45 O ATOM 1105 CB ALA A 70 -10.722 -2.721 1.309 1.00 52.30 C ATOM 0 H ALA A 70 -9.139 -1.333 2.547 1.00 62.21 H new ATOM 0 HA ALA A 70 -9.839 -1.423 -0.154 1.00 20.33 H new ATOM 0 HB1 ALA A 70 -11.440 -3.155 0.613 1.00 52.30 H new ATOM 0 HB2 ALA A 70 -9.840 -3.359 1.366 1.00 52.30 H new ATOM 0 HB3 ALA A 70 -11.176 -2.641 2.296 1.00 52.30 H new ATOM 1111 N LYS A 71 -12.037 0.058 1.783 1.00 10.12 N ATOM 1112 CA LYS A 71 -13.244 0.870 1.782 1.00 73.45 C ATOM 1113 C LYS A 71 -12.989 2.251 1.183 1.00 0.55 C ATOM 1114 O LYS A 71 -13.876 2.844 0.567 1.00 20.14 O ATOM 1115 CB LYS A 71 -13.790 1.010 3.207 1.00 65.22 C ATOM 1116 CG LYS A 71 -14.029 -0.323 3.916 1.00 11.54 C ATOM 1117 CD LYS A 71 -14.993 -1.218 3.143 1.00 23.43 C ATOM 1118 CE LYS A 71 -16.367 -0.582 3.004 1.00 31.03 C ATOM 1119 NZ LYS A 71 -17.308 -1.454 2.259 1.00 54.21 N ATOM 0 H LYS A 71 -11.617 -0.073 2.703 1.00 10.12 H new ATOM 0 HA LYS A 71 -13.983 0.365 1.161 1.00 73.45 H new ATOM 0 HB2 LYS A 71 -13.090 1.603 3.796 1.00 65.22 H new ATOM 0 HB3 LYS A 71 -14.728 1.565 3.173 1.00 65.22 H new ATOM 0 HG2 LYS A 71 -13.078 -0.840 4.045 1.00 11.54 H new ATOM 0 HG3 LYS A 71 -14.428 -0.137 4.913 1.00 11.54 H new ATOM 0 HD2 LYS A 71 -14.585 -1.422 2.153 1.00 23.43 H new ATOM 0 HD3 LYS A 71 -15.086 -2.177 3.653 1.00 23.43 H new ATOM 0 HE2 LYS A 71 -16.772 -0.373 3.994 1.00 31.03 H new ATOM 0 HE3 LYS A 71 -16.274 0.374 2.490 1.00 31.03 H new ATOM 0 HZ1 LYS A 71 -18.233 -0.984 2.186 1.00 54.21 H new ATOM 0 HZ2 LYS A 71 -16.934 -1.633 1.305 1.00 54.21 H new ATOM 0 HZ3 LYS A 71 -17.417 -2.357 2.763 1.00 54.21 H new ATOM 1133 N ALA A 72 -11.775 2.747 1.346 1.00 13.24 N ATOM 1134 CA ALA A 72 -11.425 4.077 0.865 1.00 62.42 C ATOM 1135 C ALA A 72 -10.717 4.031 -0.490 1.00 50.32 C ATOM 1136 O ALA A 72 -10.256 5.061 -0.987 1.00 13.22 O ATOM 1137 CB ALA A 72 -10.558 4.792 1.890 1.00 34.14 C ATOM 0 H ALA A 72 -11.013 2.250 1.808 1.00 13.24 H new ATOM 0 HA ALA A 72 -12.354 4.631 0.727 1.00 62.42 H new ATOM 0 HB1 ALA A 72 -10.302 5.785 1.521 1.00 34.14 H new ATOM 0 HB2 ALA A 72 -11.105 4.884 2.828 1.00 34.14 H new ATOM 0 HB3 ALA A 72 -9.645 4.220 2.056 1.00 34.14 H new ATOM 1143 N ARG A 73 -10.628 2.835 -1.082 1.00 1.12 N ATOM 1144 CA ARG A 73 -9.973 2.651 -2.393 1.00 61.33 C ATOM 1145 C ARG A 73 -8.485 3.000 -2.331 1.00 25.54 C ATOM 1146 O ARG A 73 -7.864 3.313 -3.345 1.00 60.22 O ATOM 1147 CB ARG A 73 -10.673 3.476 -3.486 1.00 13.23 C ATOM 1148 CG ARG A 73 -11.874 2.786 -4.117 1.00 62.51 C ATOM 1149 CD ARG A 73 -12.981 2.550 -3.109 1.00 74.33 C ATOM 1150 NE ARG A 73 -14.079 1.778 -3.678 1.00 73.52 N ATOM 1151 CZ ARG A 73 -15.320 1.780 -3.204 1.00 33.24 C ATOM 1152 NH1 ARG A 73 -15.624 2.505 -2.132 1.00 15.44 N ATOM 1153 NH2 ARG A 73 -16.254 1.048 -3.795 1.00 41.43 N ATOM 0 H ARG A 73 -11.000 1.976 -0.678 1.00 1.12 H new ATOM 0 HA ARG A 73 -10.061 1.596 -2.651 1.00 61.33 H new ATOM 0 HB2 ARG A 73 -10.997 4.425 -3.058 1.00 13.23 H new ATOM 0 HB3 ARG A 73 -9.950 3.709 -4.268 1.00 13.23 H new ATOM 0 HG2 ARG A 73 -12.253 3.395 -4.938 1.00 62.51 H new ATOM 0 HG3 ARG A 73 -11.563 1.833 -4.545 1.00 62.51 H new ATOM 0 HD2 ARG A 73 -12.578 2.024 -2.244 1.00 74.33 H new ATOM 0 HD3 ARG A 73 -13.358 3.509 -2.752 1.00 74.33 H new ATOM 0 HE ARG A 73 -13.881 1.198 -4.494 1.00 73.52 H new ATOM 0 HH11 ARG A 73 -14.904 3.061 -1.672 1.00 15.44 H new ATOM 0 HH12 ARG A 73 -16.578 2.505 -1.770 1.00 15.44 H new ATOM 0 HH21 ARG A 73 -16.019 0.485 -4.612 1.00 41.43 H new ATOM 0 HH22 ARG A 73 -17.207 1.048 -3.433 1.00 41.43 H new ATOM 1167 N GLY A 74 -7.926 2.937 -1.138 1.00 25.51 N ATOM 1168 CA GLY A 74 -6.524 3.225 -0.954 1.00 50.00 C ATOM 1169 C GLY A 74 -6.260 4.665 -0.568 1.00 72.43 C ATOM 1170 O GLY A 74 -5.284 4.952 0.124 1.00 21.13 O ATOM 0 H GLY A 74 -8.425 2.688 -0.284 1.00 25.51 H new ATOM 0 HA2 GLY A 74 -6.122 2.569 -0.182 1.00 50.00 H new ATOM 0 HA3 GLY A 74 -5.988 2.998 -1.876 1.00 50.00 H new ATOM 1174 N ASP A 75 -7.129 5.564 -1.002 1.00 10.41 N ATOM 1175 CA ASP A 75 -6.962 6.998 -0.744 1.00 41.44 C ATOM 1176 C ASP A 75 -7.008 7.322 0.748 1.00 43.24 C ATOM 1177 O ASP A 75 -7.887 6.852 1.478 1.00 51.34 O ATOM 1178 CB ASP A 75 -8.023 7.805 -1.502 1.00 23.34 C ATOM 1179 CG ASP A 75 -7.978 9.296 -1.197 1.00 4.40 C ATOM 1180 OD1 ASP A 75 -6.870 9.851 -1.039 1.00 23.42 O ATOM 1181 OD2 ASP A 75 -9.060 9.927 -1.139 1.00 20.12 O ATOM 0 H ASP A 75 -7.964 5.331 -1.539 1.00 10.41 H new ATOM 0 HA ASP A 75 -5.974 7.281 -1.106 1.00 41.44 H new ATOM 0 HB2 ASP A 75 -7.886 7.656 -2.573 1.00 23.34 H new ATOM 0 HB3 ASP A 75 -9.011 7.419 -1.250 1.00 23.34 H new ATOM 1186 N LEU A 76 -6.048 8.115 1.186 1.00 10.01 N ATOM 1187 CA LEU A 76 -5.945 8.530 2.578 1.00 50.44 C ATOM 1188 C LEU A 76 -6.166 10.019 2.717 1.00 11.31 C ATOM 1189 O LEU A 76 -6.275 10.536 3.835 1.00 13.22 O ATOM 1190 CB LEU A 76 -4.561 8.195 3.123 1.00 0.42 C ATOM 1191 CG LEU A 76 -4.304 6.741 3.459 1.00 61.21 C ATOM 1192 CD1 LEU A 76 -2.820 6.517 3.682 1.00 3.22 C ATOM 1193 CD2 LEU A 76 -5.088 6.347 4.700 1.00 53.34 C ATOM 0 H LEU A 76 -5.314 8.492 0.587 1.00 10.01 H new ATOM 0 HA LEU A 76 -6.712 7.997 3.140 1.00 50.44 H new ATOM 0 HB2 LEU A 76 -3.819 8.513 2.390 1.00 0.42 H new ATOM 0 HB3 LEU A 76 -4.395 8.788 4.022 1.00 0.42 H new ATOM 0 HG LEU A 76 -4.633 6.119 2.626 1.00 61.21 H new ATOM 0 HD11 LEU A 76 -2.642 5.469 3.923 1.00 3.22 H new ATOM 0 HD12 LEU A 76 -2.272 6.779 2.777 1.00 3.22 H new ATOM 0 HD13 LEU A 76 -2.478 7.142 4.507 1.00 3.22 H new ATOM 0 HD21 LEU A 76 -4.897 5.300 4.934 1.00 53.34 H new ATOM 0 HD22 LEU A 76 -4.777 6.969 5.539 1.00 53.34 H new ATOM 0 HD23 LEU A 76 -6.153 6.490 4.518 1.00 53.34 H new ATOM 1205 N GLY A 77 -6.235 10.708 1.597 1.00 13.01 N ATOM 1206 CA GLY A 77 -6.332 12.142 1.640 1.00 13.42 C ATOM 1207 C GLY A 77 -4.987 12.755 1.961 1.00 75.32 C ATOM 1208 O GLY A 77 -3.972 12.050 1.996 1.00 62.12 O ATOM 0 H GLY A 77 -6.226 10.301 0.662 1.00 13.01 H new ATOM 0 HA2 GLY A 77 -6.690 12.517 0.681 1.00 13.42 H new ATOM 0 HA3 GLY A 77 -7.063 12.440 2.392 1.00 13.42 H new ATOM 1212 N ALA A 78 -4.959 14.046 2.182 1.00 5.25 N ATOM 1213 CA ALA A 78 -3.722 14.723 2.507 1.00 24.55 C ATOM 1214 C ALA A 78 -3.404 14.573 3.985 1.00 43.13 C ATOM 1215 O ALA A 78 -4.122 15.096 4.842 1.00 62.55 O ATOM 1216 CB ALA A 78 -3.803 16.188 2.128 1.00 34.32 C ATOM 0 H ALA A 78 -5.778 14.652 2.143 1.00 5.25 H new ATOM 0 HA ALA A 78 -2.918 14.262 1.934 1.00 24.55 H new ATOM 0 HB1 ALA A 78 -2.864 16.681 2.380 1.00 34.32 H new ATOM 0 HB2 ALA A 78 -3.984 16.277 1.057 1.00 34.32 H new ATOM 0 HB3 ALA A 78 -4.619 16.661 2.675 1.00 34.32 H new ATOM 1222 N PHE A 79 -2.345 13.852 4.282 1.00 20.14 N ATOM 1223 CA PHE A 79 -1.929 13.643 5.655 1.00 53.02 C ATOM 1224 C PHE A 79 -0.560 14.258 5.893 1.00 54.31 C ATOM 1225 O PHE A 79 0.198 14.492 4.947 1.00 22.44 O ATOM 1226 CB PHE A 79 -1.924 12.142 6.011 1.00 43.43 C ATOM 1227 CG PHE A 79 -1.058 11.287 5.119 1.00 3.34 C ATOM 1228 CD1 PHE A 79 0.279 11.070 5.422 1.00 35.53 C ATOM 1229 CD2 PHE A 79 -1.586 10.696 3.980 1.00 5.44 C ATOM 1230 CE1 PHE A 79 1.069 10.283 4.605 1.00 32.12 C ATOM 1231 CE2 PHE A 79 -0.798 9.909 3.163 1.00 51.30 C ATOM 1232 CZ PHE A 79 0.531 9.702 3.476 1.00 53.52 C ATOM 0 H PHE A 79 -1.752 13.397 3.588 1.00 20.14 H new ATOM 0 HA PHE A 79 -2.649 14.137 6.307 1.00 53.02 H new ATOM 0 HB2 PHE A 79 -1.586 12.028 7.041 1.00 43.43 H new ATOM 0 HB3 PHE A 79 -2.947 11.769 5.968 1.00 43.43 H new ATOM 0 HD1 PHE A 79 0.707 11.521 6.305 1.00 35.53 H new ATOM 0 HD2 PHE A 79 -2.625 10.853 3.729 1.00 5.44 H new ATOM 0 HE1 PHE A 79 2.108 10.123 4.851 1.00 32.12 H new ATOM 0 HE2 PHE A 79 -1.221 9.455 2.279 1.00 51.30 H new ATOM 0 HZ PHE A 79 1.148 9.086 2.838 1.00 53.52 H new ATOM 1242 N SER A 80 -0.253 14.532 7.142 1.00 42.25 N ATOM 1243 CA SER A 80 1.017 15.123 7.493 1.00 65.45 C ATOM 1244 C SER A 80 1.920 14.074 8.133 1.00 54.21 C ATOM 1245 O SER A 80 1.496 12.936 8.368 1.00 5.22 O ATOM 1246 CB SER A 80 0.812 16.307 8.450 1.00 74.40 C ATOM 1247 OG SER A 80 1.957 17.152 8.474 1.00 42.34 O ATOM 0 H SER A 80 -0.870 14.353 7.934 1.00 42.25 H new ATOM 0 HA SER A 80 1.494 15.493 6.586 1.00 65.45 H new ATOM 0 HB2 SER A 80 -0.061 16.882 8.141 1.00 74.40 H new ATOM 0 HB3 SER A 80 0.609 15.936 9.455 1.00 74.40 H new ATOM 0 HG SER A 80 2.281 17.290 7.559 1.00 42.34 H new ATOM 1253 N ARG A 81 3.155 14.450 8.413 1.00 11.20 N ATOM 1254 CA ARG A 81 4.105 13.535 9.018 1.00 71.25 C ATOM 1255 C ARG A 81 3.745 13.274 10.471 1.00 21.30 C ATOM 1256 O ARG A 81 3.125 14.113 11.132 1.00 1.32 O ATOM 1257 CB ARG A 81 5.530 14.073 8.912 1.00 24.41 C ATOM 1258 CG ARG A 81 5.988 14.318 7.485 1.00 4.22 C ATOM 1259 CD ARG A 81 7.497 14.423 7.397 1.00 61.41 C ATOM 1260 NE ARG A 81 8.144 13.187 7.842 1.00 54.02 N ATOM 1261 CZ ARG A 81 9.330 12.755 7.417 1.00 34.13 C ATOM 1262 NH1 ARG A 81 10.018 13.448 6.521 1.00 65.25 N ATOM 1263 NH2 ARG A 81 9.816 11.614 7.883 1.00 34.52 N ATOM 0 H ARG A 81 3.523 15.384 8.231 1.00 11.20 H new ATOM 0 HA ARG A 81 4.057 12.593 8.472 1.00 71.25 H new ATOM 0 HB2 ARG A 81 5.599 15.006 9.471 1.00 24.41 H new ATOM 0 HB3 ARG A 81 6.211 13.367 9.386 1.00 24.41 H new ATOM 0 HG2 ARG A 81 5.641 13.506 6.846 1.00 4.22 H new ATOM 0 HG3 ARG A 81 5.536 15.236 7.109 1.00 4.22 H new ATOM 0 HD2 ARG A 81 7.789 14.639 6.369 1.00 61.41 H new ATOM 0 HD3 ARG A 81 7.842 15.257 8.008 1.00 61.41 H new ATOM 0 HE ARG A 81 7.650 12.615 8.527 1.00 54.02 H new ATOM 0 HH11 ARG A 81 9.640 14.320 6.151 1.00 65.25 H new ATOM 0 HH12 ARG A 81 10.925 13.109 6.201 1.00 65.25 H new ATOM 0 HH21 ARG A 81 9.282 11.072 8.563 1.00 34.52 H new ATOM 0 HH22 ARG A 81 10.724 11.277 7.562 1.00 34.52 H new ATOM 1277 N GLY A 82 4.118 12.106 10.957 1.00 64.40 N ATOM 1278 CA GLY A 82 3.816 11.733 12.320 1.00 74.44 C ATOM 1279 C GLY A 82 2.438 11.122 12.444 1.00 4.52 C ATOM 1280 O GLY A 82 2.006 10.767 13.534 1.00 60.24 O ATOM 0 H GLY A 82 4.630 11.401 10.427 1.00 64.40 H new ATOM 0 HA2 GLY A 82 4.562 11.022 12.676 1.00 74.44 H new ATOM 0 HA3 GLY A 82 3.882 12.612 12.961 1.00 74.44 H new ATOM 1284 N GLN A 83 1.748 11.006 11.323 1.00 43.23 N ATOM 1285 CA GLN A 83 0.408 10.434 11.300 1.00 53.51 C ATOM 1286 C GLN A 83 0.390 9.190 10.423 1.00 4.21 C ATOM 1287 O GLN A 83 -0.671 8.685 10.055 1.00 24.12 O ATOM 1288 CB GLN A 83 -0.599 11.459 10.762 1.00 40.24 C ATOM 1289 CG GLN A 83 -0.566 12.803 11.479 1.00 24.43 C ATOM 1290 CD GLN A 83 -0.852 12.702 12.968 1.00 35.33 C ATOM 1291 OE1 GLN A 83 -0.344 13.494 13.761 1.00 24.12 O ATOM 1292 NE2 GLN A 83 -1.666 11.742 13.357 1.00 62.14 N ATOM 0 H GLN A 83 2.094 11.302 10.410 1.00 43.23 H new ATOM 0 HA GLN A 83 0.127 10.162 12.318 1.00 53.51 H new ATOM 0 HB2 GLN A 83 -0.404 11.621 9.702 1.00 40.24 H new ATOM 0 HB3 GLN A 83 -1.603 11.042 10.842 1.00 40.24 H new ATOM 0 HG2 GLN A 83 0.414 13.259 11.335 1.00 24.43 H new ATOM 0 HG3 GLN A 83 -1.298 13.469 11.021 1.00 24.43 H new ATOM 0 HE21 GLN A 83 -2.068 11.104 12.670 1.00 62.14 H new ATOM 0 HE22 GLN A 83 -1.894 11.636 14.345 1.00 62.14 H new ATOM 1301 N MET A 84 1.567 8.691 10.114 1.00 65.11 N ATOM 1302 CA MET A 84 1.709 7.549 9.234 1.00 31.02 C ATOM 1303 C MET A 84 2.859 6.664 9.700 1.00 10.03 C ATOM 1304 O MET A 84 3.727 7.121 10.445 1.00 62.11 O ATOM 1305 CB MET A 84 1.959 8.047 7.801 1.00 1.11 C ATOM 1306 CG MET A 84 2.110 6.949 6.764 1.00 0.50 C ATOM 1307 SD MET A 84 0.703 5.826 6.729 1.00 23.23 S ATOM 1308 CE MET A 84 -0.630 6.969 6.376 1.00 24.44 C ATOM 0 H MET A 84 2.450 9.063 10.464 1.00 65.11 H new ATOM 0 HA MET A 84 0.795 6.956 9.255 1.00 31.02 H new ATOM 0 HB2 MET A 84 1.133 8.694 7.507 1.00 1.11 H new ATOM 0 HB3 MET A 84 2.861 8.659 7.796 1.00 1.11 H new ATOM 0 HG2 MET A 84 2.234 7.400 5.779 1.00 0.50 H new ATOM 0 HG3 MET A 84 3.017 6.382 6.971 1.00 0.50 H new ATOM 0 HE1 MET A 84 -1.554 6.413 6.217 1.00 24.44 H new ATOM 0 HE2 MET A 84 -0.757 7.651 7.217 1.00 24.44 H new ATOM 0 HE3 MET A 84 -0.392 7.540 5.479 1.00 24.44 H new ATOM 1318 N GLN A 85 2.850 5.396 9.274 1.00 74.04 N ATOM 1319 CA GLN A 85 3.929 4.462 9.594 1.00 62.32 C ATOM 1320 C GLN A 85 5.255 5.053 9.152 1.00 34.02 C ATOM 1321 O GLN A 85 5.342 5.618 8.074 1.00 32.33 O ATOM 1322 CB GLN A 85 3.720 3.137 8.861 1.00 44.51 C ATOM 1323 CG GLN A 85 2.424 2.428 9.187 1.00 61.54 C ATOM 1324 CD GLN A 85 2.258 1.159 8.376 1.00 20.41 C ATOM 1325 OE1 GLN A 85 1.687 1.172 7.286 1.00 43.01 O ATOM 1326 NE2 GLN A 85 2.776 0.062 8.890 1.00 71.22 N ATOM 0 H GLN A 85 2.104 4.995 8.705 1.00 74.04 H new ATOM 0 HA GLN A 85 3.930 4.287 10.670 1.00 62.32 H new ATOM 0 HB2 GLN A 85 3.756 3.322 7.787 1.00 44.51 H new ATOM 0 HB3 GLN A 85 4.551 2.472 9.098 1.00 44.51 H new ATOM 0 HG2 GLN A 85 2.399 2.186 10.250 1.00 61.54 H new ATOM 0 HG3 GLN A 85 1.585 3.096 8.992 1.00 61.54 H new ATOM 0 HE21 GLN A 85 3.241 0.094 9.797 1.00 71.22 H new ATOM 0 HE22 GLN A 85 2.712 -0.819 8.381 1.00 71.22 H new ATOM 1335 N LYS A 86 6.283 4.909 9.967 1.00 42.33 N ATOM 1336 CA LYS A 86 7.590 5.475 9.644 1.00 52.00 C ATOM 1337 C LYS A 86 8.153 4.934 8.302 1.00 12.12 C ATOM 1338 O LYS A 86 8.556 5.724 7.449 1.00 42.20 O ATOM 1339 CB LYS A 86 8.589 5.267 10.790 1.00 14.32 C ATOM 1340 CG LYS A 86 9.911 6.014 10.607 1.00 30.25 C ATOM 1341 CD LYS A 86 9.698 7.523 10.444 1.00 62.41 C ATOM 1342 CE LYS A 86 8.989 8.133 11.650 1.00 60.30 C ATOM 1343 NZ LYS A 86 8.799 9.600 11.508 1.00 44.01 N ATOM 0 H LYS A 86 6.244 4.408 10.855 1.00 42.33 H new ATOM 0 HA LYS A 86 7.444 6.548 9.516 1.00 52.00 H new ATOM 0 HB2 LYS A 86 8.128 5.590 11.723 1.00 14.32 H new ATOM 0 HB3 LYS A 86 8.796 4.201 10.888 1.00 14.32 H new ATOM 0 HG2 LYS A 86 10.554 5.829 11.467 1.00 30.25 H new ATOM 0 HG3 LYS A 86 10.430 5.624 9.731 1.00 30.25 H new ATOM 0 HD2 LYS A 86 10.662 8.012 10.304 1.00 62.41 H new ATOM 0 HD3 LYS A 86 9.111 7.711 9.545 1.00 62.41 H new ATOM 0 HE2 LYS A 86 8.019 7.654 11.779 1.00 60.30 H new ATOM 0 HE3 LYS A 86 9.568 7.929 12.551 1.00 60.30 H new ATOM 0 HZ1 LYS A 86 7.949 9.892 12.031 1.00 44.01 H new ATOM 0 HZ2 LYS A 86 9.629 10.096 11.891 1.00 44.01 H new ATOM 0 HZ3 LYS A 86 8.686 9.840 10.502 1.00 44.01 H new ATOM 1357 N PRO A 87 8.179 3.581 8.088 1.00 34.04 N ATOM 1358 CA PRO A 87 8.668 2.994 6.825 1.00 41.22 C ATOM 1359 C PRO A 87 7.857 3.468 5.615 1.00 32.10 C ATOM 1360 O PRO A 87 8.354 3.494 4.487 1.00 1.43 O ATOM 1361 CB PRO A 87 8.480 1.479 7.026 1.00 14.15 C ATOM 1362 CG PRO A 87 7.519 1.353 8.158 1.00 24.51 C ATOM 1363 CD PRO A 87 7.773 2.532 9.043 1.00 73.02 C ATOM 0 HA PRO A 87 9.698 3.284 6.619 1.00 41.22 H new ATOM 0 HB2 PRO A 87 8.090 1.007 6.124 1.00 14.15 H new ATOM 0 HB3 PRO A 87 9.427 0.992 7.257 1.00 14.15 H new ATOM 0 HG2 PRO A 87 6.490 1.349 7.798 1.00 24.51 H new ATOM 0 HG3 PRO A 87 7.672 0.419 8.698 1.00 24.51 H new ATOM 0 HD2 PRO A 87 6.881 2.817 9.601 1.00 73.02 H new ATOM 0 HD3 PRO A 87 8.555 2.327 9.774 1.00 73.02 H new ATOM 1371 N PHE A 88 6.613 3.843 5.862 1.00 13.02 N ATOM 1372 CA PHE A 88 5.729 4.326 4.816 1.00 30.25 C ATOM 1373 C PHE A 88 5.961 5.821 4.601 1.00 65.12 C ATOM 1374 O PHE A 88 6.115 6.283 3.476 1.00 63.44 O ATOM 1375 CB PHE A 88 4.266 4.066 5.219 1.00 15.52 C ATOM 1376 CG PHE A 88 3.251 4.326 4.134 1.00 61.11 C ATOM 1377 CD1 PHE A 88 2.913 5.621 3.768 1.00 53.33 C ATOM 1378 CD2 PHE A 88 2.627 3.272 3.491 1.00 14.04 C ATOM 1379 CE1 PHE A 88 1.978 5.858 2.784 1.00 42.25 C ATOM 1380 CE2 PHE A 88 1.692 3.503 2.503 1.00 43.15 C ATOM 1381 CZ PHE A 88 1.366 4.800 2.149 1.00 41.14 C ATOM 0 H PHE A 88 6.189 3.821 6.790 1.00 13.02 H new ATOM 0 HA PHE A 88 5.939 3.799 3.885 1.00 30.25 H new ATOM 0 HB2 PHE A 88 4.173 3.029 5.542 1.00 15.52 H new ATOM 0 HB3 PHE A 88 4.025 4.691 6.079 1.00 15.52 H new ATOM 0 HD1 PHE A 88 3.390 6.455 4.261 1.00 53.33 H new ATOM 0 HD2 PHE A 88 2.874 2.257 3.765 1.00 14.04 H new ATOM 0 HE1 PHE A 88 1.725 6.872 2.511 1.00 42.25 H new ATOM 0 HE2 PHE A 88 1.215 2.671 2.006 1.00 43.15 H new ATOM 0 HZ PHE A 88 0.633 4.983 1.377 1.00 41.14 H new ATOM 1391 N GLU A 89 5.995 6.552 5.702 1.00 12.54 N ATOM 1392 CA GLU A 89 6.194 7.998 5.713 1.00 30.20 C ATOM 1393 C GLU A 89 7.485 8.386 4.994 1.00 75.55 C ATOM 1394 O GLU A 89 7.488 9.268 4.135 1.00 14.43 O ATOM 1395 CB GLU A 89 6.239 8.479 7.164 1.00 35.20 C ATOM 1396 CG GLU A 89 6.430 9.970 7.338 1.00 71.32 C ATOM 1397 CD GLU A 89 6.542 10.353 8.791 1.00 2.41 C ATOM 1398 OE1 GLU A 89 5.502 10.447 9.465 1.00 0.12 O ATOM 1399 OE2 GLU A 89 7.680 10.548 9.275 1.00 11.33 O ATOM 0 H GLU A 89 5.883 6.152 6.634 1.00 12.54 H new ATOM 0 HA GLU A 89 5.366 8.471 5.185 1.00 30.20 H new ATOM 0 HB2 GLU A 89 5.312 8.187 7.657 1.00 35.20 H new ATOM 0 HB3 GLU A 89 7.049 7.962 7.677 1.00 35.20 H new ATOM 0 HG2 GLU A 89 7.329 10.286 6.808 1.00 71.32 H new ATOM 0 HG3 GLU A 89 5.591 10.499 6.886 1.00 71.32 H new ATOM 1406 N ASP A 90 8.565 7.704 5.340 1.00 22.42 N ATOM 1407 CA ASP A 90 9.880 7.976 4.760 1.00 55.33 C ATOM 1408 C ASP A 90 9.853 7.876 3.237 1.00 14.05 C ATOM 1409 O ASP A 90 10.446 8.704 2.535 1.00 31.21 O ATOM 1410 CB ASP A 90 10.917 7.002 5.324 1.00 15.42 C ATOM 1411 CG ASP A 90 12.303 7.233 4.760 1.00 11.23 C ATOM 1412 OD1 ASP A 90 13.027 8.100 5.291 1.00 21.23 O ATOM 1413 OD2 ASP A 90 12.679 6.547 3.789 1.00 32.10 O ATOM 0 H ASP A 90 8.561 6.950 6.026 1.00 22.42 H new ATOM 0 HA ASP A 90 10.155 8.996 5.027 1.00 55.33 H new ATOM 0 HB2 ASP A 90 10.950 7.101 6.409 1.00 15.42 H new ATOM 0 HB3 ASP A 90 10.606 5.980 5.106 1.00 15.42 H new ATOM 1418 N ALA A 91 9.148 6.876 2.734 1.00 4.43 N ATOM 1419 CA ALA A 91 9.077 6.639 1.304 1.00 13.21 C ATOM 1420 C ALA A 91 8.035 7.529 0.622 1.00 12.01 C ATOM 1421 O ALA A 91 8.300 8.098 -0.430 1.00 25.01 O ATOM 1422 CB ALA A 91 8.787 5.172 1.030 1.00 72.43 C ATOM 0 H ALA A 91 8.615 6.214 3.298 1.00 4.43 H new ATOM 0 HA ALA A 91 10.047 6.899 0.880 1.00 13.21 H new ATOM 0 HB1 ALA A 91 8.736 5.006 -0.046 1.00 72.43 H new ATOM 0 HB2 ALA A 91 9.582 4.559 1.454 1.00 72.43 H new ATOM 0 HB3 ALA A 91 7.835 4.898 1.485 1.00 72.43 H new ATOM 1428 N SER A 92 6.862 7.659 1.236 1.00 60.30 N ATOM 1429 CA SER A 92 5.762 8.436 0.655 1.00 40.43 C ATOM 1430 C SER A 92 6.141 9.898 0.426 1.00 43.33 C ATOM 1431 O SER A 92 5.904 10.446 -0.652 1.00 52.34 O ATOM 1432 CB SER A 92 4.509 8.334 1.528 1.00 60.33 C ATOM 1433 OG SER A 92 4.807 8.605 2.883 1.00 21.42 O ATOM 0 H SER A 92 6.645 7.236 2.139 1.00 60.30 H new ATOM 0 HA SER A 92 5.547 8.004 -0.323 1.00 40.43 H new ATOM 0 HB2 SER A 92 3.756 9.036 1.171 1.00 60.33 H new ATOM 0 HB3 SER A 92 4.081 7.335 1.440 1.00 60.33 H new ATOM 0 HG SER A 92 5.222 7.816 3.291 1.00 21.42 H new ATOM 1439 N PHE A 93 6.744 10.520 1.430 1.00 1.30 N ATOM 1440 CA PHE A 93 7.141 11.920 1.322 1.00 63.44 C ATOM 1441 C PHE A 93 8.353 12.094 0.409 1.00 3.21 C ATOM 1442 O PHE A 93 8.713 13.214 0.044 1.00 73.54 O ATOM 1443 CB PHE A 93 7.408 12.521 2.707 1.00 0.25 C ATOM 1444 CG PHE A 93 6.154 12.771 3.504 1.00 44.01 C ATOM 1445 CD1 PHE A 93 5.562 11.754 4.237 1.00 54.34 C ATOM 1446 CD2 PHE A 93 5.567 14.025 3.515 1.00 44.10 C ATOM 1447 CE1 PHE A 93 4.409 11.983 4.963 1.00 74.10 C ATOM 1448 CE2 PHE A 93 4.413 14.260 4.241 1.00 3.32 C ATOM 1449 CZ PHE A 93 3.835 13.236 4.965 1.00 32.03 C ATOM 0 H PHE A 93 6.968 10.082 2.323 1.00 1.30 H new ATOM 0 HA PHE A 93 6.311 12.461 0.869 1.00 63.44 H new ATOM 0 HB2 PHE A 93 8.057 11.848 3.267 1.00 0.25 H new ATOM 0 HB3 PHE A 93 7.948 13.461 2.589 1.00 0.25 H new ATOM 0 HD1 PHE A 93 6.008 10.770 4.241 1.00 54.34 H new ATOM 0 HD2 PHE A 93 6.015 14.829 2.950 1.00 44.10 H new ATOM 0 HE1 PHE A 93 3.958 11.181 5.528 1.00 74.10 H new ATOM 0 HE2 PHE A 93 3.965 15.243 4.241 1.00 3.32 H new ATOM 0 HZ PHE A 93 2.934 13.417 5.532 1.00 32.03 H new ATOM 1459 N ALA A 94 8.975 10.986 0.036 1.00 42.03 N ATOM 1460 CA ALA A 94 10.117 11.021 -0.862 1.00 51.20 C ATOM 1461 C ALA A 94 9.660 10.890 -2.309 1.00 2.42 C ATOM 1462 O ALA A 94 10.386 11.254 -3.237 1.00 41.31 O ATOM 1463 CB ALA A 94 11.103 9.917 -0.515 1.00 11.13 C ATOM 0 H ALA A 94 8.707 10.051 0.342 1.00 42.03 H new ATOM 0 HA ALA A 94 10.619 11.981 -0.743 1.00 51.20 H new ATOM 0 HB1 ALA A 94 11.951 9.959 -1.198 1.00 11.13 H new ATOM 0 HB2 ALA A 94 11.454 10.051 0.508 1.00 11.13 H new ATOM 0 HB3 ALA A 94 10.612 8.948 -0.606 1.00 11.13 H new ATOM 1469 N LEU A 95 8.449 10.378 -2.493 1.00 33.01 N ATOM 1470 CA LEU A 95 7.881 10.194 -3.821 1.00 71.32 C ATOM 1471 C LEU A 95 7.285 11.493 -4.329 1.00 52.51 C ATOM 1472 O LEU A 95 6.900 12.354 -3.543 1.00 33.13 O ATOM 1473 CB LEU A 95 6.786 9.123 -3.797 1.00 32.43 C ATOM 1474 CG LEU A 95 7.201 7.733 -3.321 1.00 20.10 C ATOM 1475 CD1 LEU A 95 5.998 6.810 -3.306 1.00 43.33 C ATOM 1476 CD2 LEU A 95 8.298 7.163 -4.205 1.00 43.31 C ATOM 0 H LEU A 95 7.838 10.081 -1.732 1.00 33.01 H new ATOM 0 HA LEU A 95 8.685 9.876 -4.485 1.00 71.32 H new ATOM 0 HB2 LEU A 95 5.978 9.476 -3.156 1.00 32.43 H new ATOM 0 HB3 LEU A 95 6.377 9.031 -4.803 1.00 32.43 H new ATOM 0 HG LEU A 95 7.595 7.817 -2.308 1.00 20.10 H new ATOM 0 HD11 LEU A 95 6.303 5.821 -2.965 1.00 43.33 H new ATOM 0 HD12 LEU A 95 5.241 7.209 -2.631 1.00 43.33 H new ATOM 0 HD13 LEU A 95 5.584 6.736 -4.311 1.00 43.33 H new ATOM 0 HD21 LEU A 95 8.577 6.172 -3.846 1.00 43.31 H new ATOM 0 HD22 LEU A 95 7.937 7.089 -5.231 1.00 43.31 H new ATOM 0 HD23 LEU A 95 9.168 7.819 -4.173 1.00 43.31 H new ATOM 1488 N ARG A 96 7.210 11.628 -5.635 1.00 41.44 N ATOM 1489 CA ARG A 96 6.621 12.806 -6.257 1.00 12.42 C ATOM 1490 C ARG A 96 5.133 12.571 -6.524 1.00 5.43 C ATOM 1491 O ARG A 96 4.641 11.451 -6.374 1.00 23.12 O ATOM 1492 CB ARG A 96 7.342 13.124 -7.568 1.00 30.35 C ATOM 1493 CG ARG A 96 7.295 11.991 -8.575 1.00 55.33 C ATOM 1494 CD ARG A 96 8.095 12.310 -9.817 1.00 33.24 C ATOM 1495 NE ARG A 96 8.161 11.169 -10.727 1.00 62.43 N ATOM 1496 CZ ARG A 96 8.519 11.247 -12.004 1.00 42.43 C ATOM 1497 NH1 ARG A 96 8.822 12.423 -12.540 1.00 64.32 N ATOM 1498 NH2 ARG A 96 8.574 10.146 -12.744 1.00 12.14 N ATOM 0 H ARG A 96 7.552 10.932 -6.297 1.00 41.44 H new ATOM 0 HA ARG A 96 6.730 13.652 -5.579 1.00 12.42 H new ATOM 0 HB2 ARG A 96 6.895 14.013 -8.013 1.00 30.35 H new ATOM 0 HB3 ARG A 96 8.383 13.364 -7.352 1.00 30.35 H new ATOM 0 HG2 ARG A 96 7.683 11.081 -8.117 1.00 55.33 H new ATOM 0 HG3 ARG A 96 6.259 11.793 -8.851 1.00 55.33 H new ATOM 0 HD2 ARG A 96 7.645 13.159 -10.331 1.00 33.24 H new ATOM 0 HD3 ARG A 96 9.104 12.607 -9.533 1.00 33.24 H new ATOM 0 HE ARG A 96 7.916 10.251 -10.357 1.00 62.43 H new ATOM 0 HH11 ARG A 96 8.780 13.269 -11.971 1.00 64.32 H new ATOM 0 HH12 ARG A 96 9.097 12.481 -13.521 1.00 64.32 H new ATOM 0 HH21 ARG A 96 8.342 9.242 -12.332 1.00 12.14 H new ATOM 0 HH22 ARG A 96 8.849 10.204 -13.725 1.00 12.14 H new ATOM 1512 N THR A 97 4.423 13.618 -6.900 1.00 70.21 N ATOM 1513 CA THR A 97 3.011 13.503 -7.214 1.00 34.25 C ATOM 1514 C THR A 97 2.814 12.675 -8.486 1.00 3.52 C ATOM 1515 O THR A 97 3.329 13.024 -9.556 1.00 71.54 O ATOM 1516 CB THR A 97 2.372 14.893 -7.384 1.00 24.00 C ATOM 1517 OG1 THR A 97 2.562 15.657 -6.185 1.00 71.42 O ATOM 1518 CG2 THR A 97 0.887 14.774 -7.680 1.00 2.40 C ATOM 0 H THR A 97 4.802 14.560 -6.996 1.00 70.21 H new ATOM 0 HA THR A 97 2.519 12.997 -6.383 1.00 34.25 H new ATOM 0 HB THR A 97 2.853 15.395 -8.224 1.00 24.00 H new ATOM 0 HG1 THR A 97 1.841 15.457 -5.552 1.00 71.42 H new ATOM 0 HG21 THR A 97 0.458 15.769 -7.796 1.00 2.40 H new ATOM 0 HG22 THR A 97 0.744 14.208 -8.600 1.00 2.40 H new ATOM 0 HG23 THR A 97 0.392 14.259 -6.856 1.00 2.40 H new ATOM 1526 N GLY A 98 2.078 11.580 -8.364 1.00 61.53 N ATOM 1527 CA GLY A 98 1.873 10.696 -9.487 1.00 42.44 C ATOM 1528 C GLY A 98 2.970 9.660 -9.562 1.00 15.20 C ATOM 1529 O GLY A 98 3.393 9.260 -10.649 1.00 24.22 O ATOM 0 H GLY A 98 1.618 11.289 -7.501 1.00 61.53 H new ATOM 0 HA2 GLY A 98 0.906 10.202 -9.395 1.00 42.44 H new ATOM 0 HA3 GLY A 98 1.849 11.274 -10.411 1.00 42.44 H new ATOM 1533 N GLU A 99 3.437 9.235 -8.400 1.00 54.44 N ATOM 1534 CA GLU A 99 4.513 8.268 -8.309 1.00 44.25 C ATOM 1535 C GLU A 99 4.118 7.127 -7.383 1.00 50.44 C ATOM 1536 O GLU A 99 3.367 7.329 -6.422 1.00 50.45 O ATOM 1537 CB GLU A 99 5.774 8.953 -7.784 1.00 41.20 C ATOM 1538 CG GLU A 99 7.027 8.114 -7.885 1.00 53.53 C ATOM 1539 CD GLU A 99 7.358 7.767 -9.309 1.00 24.42 C ATOM 1540 OE1 GLU A 99 7.990 8.592 -9.997 1.00 71.44 O ATOM 1541 OE2 GLU A 99 6.980 6.669 -9.759 1.00 44.14 O ATOM 0 H GLU A 99 3.081 9.550 -7.498 1.00 54.44 H new ATOM 0 HA GLU A 99 4.710 7.860 -9.301 1.00 44.25 H new ATOM 0 HB2 GLU A 99 5.926 9.880 -8.337 1.00 41.20 H new ATOM 0 HB3 GLU A 99 5.617 9.226 -6.740 1.00 41.20 H new ATOM 0 HG2 GLU A 99 7.862 8.655 -7.440 1.00 53.53 H new ATOM 0 HG3 GLU A 99 6.897 7.198 -7.309 1.00 53.53 H new ATOM 1548 N MET A 100 4.618 5.940 -7.670 1.00 21.14 N ATOM 1549 CA MET A 100 4.322 4.775 -6.864 1.00 21.41 C ATOM 1550 C MET A 100 5.602 4.027 -6.529 1.00 55.24 C ATOM 1551 O MET A 100 6.445 3.795 -7.402 1.00 23.55 O ATOM 1552 CB MET A 100 3.346 3.852 -7.600 1.00 55.42 C ATOM 1553 CG MET A 100 2.797 2.722 -6.742 1.00 64.25 C ATOM 1554 SD MET A 100 1.570 1.720 -7.608 1.00 13.32 S ATOM 1555 CE MET A 100 2.571 1.022 -8.913 1.00 70.33 C ATOM 0 H MET A 100 5.235 5.759 -8.462 1.00 21.14 H new ATOM 0 HA MET A 100 3.856 5.104 -5.935 1.00 21.41 H new ATOM 0 HB2 MET A 100 2.513 4.446 -7.976 1.00 55.42 H new ATOM 0 HB3 MET A 100 3.850 3.424 -8.467 1.00 55.42 H new ATOM 0 HG2 MET A 100 3.620 2.083 -6.420 1.00 64.25 H new ATOM 0 HG3 MET A 100 2.348 3.141 -5.842 1.00 64.25 H new ATOM 0 HE1 MET A 100 2.281 -0.016 -9.079 1.00 70.33 H new ATOM 0 HE2 MET A 100 2.421 1.591 -9.830 1.00 70.33 H new ATOM 0 HE3 MET A 100 3.622 1.064 -8.627 1.00 70.33 H new ATOM 1565 N SER A 101 5.754 3.662 -5.273 1.00 24.24 N ATOM 1566 CA SER A 101 6.932 2.949 -4.821 1.00 52.13 C ATOM 1567 C SER A 101 6.771 1.451 -5.049 1.00 43.34 C ATOM 1568 O SER A 101 5.819 1.007 -5.702 1.00 11.42 O ATOM 1569 CB SER A 101 7.167 3.224 -3.336 1.00 2.02 C ATOM 1570 OG SER A 101 6.028 2.862 -2.567 1.00 55.32 O ATOM 0 H SER A 101 5.070 3.849 -4.540 1.00 24.24 H new ATOM 0 HA SER A 101 7.791 3.299 -5.394 1.00 52.13 H new ATOM 0 HB2 SER A 101 8.036 2.664 -2.991 1.00 2.02 H new ATOM 0 HB3 SER A 101 7.390 4.281 -3.188 1.00 2.02 H new ATOM 0 HG SER A 101 6.254 2.893 -1.614 1.00 55.32 H new ATOM 1576 N GLY A 102 7.702 0.683 -4.526 1.00 55.43 N ATOM 1577 CA GLY A 102 7.612 -0.742 -4.625 1.00 53.33 C ATOM 1578 C GLY A 102 6.935 -1.330 -3.409 1.00 44.45 C ATOM 1579 O GLY A 102 6.257 -0.609 -2.669 1.00 10.23 O ATOM 0 H GLY A 102 8.524 1.028 -4.031 1.00 55.43 H new ATOM 0 HA2 GLY A 102 7.055 -1.013 -5.522 1.00 53.33 H new ATOM 0 HA3 GLY A 102 8.611 -1.166 -4.730 1.00 53.33 H new ATOM 1583 N PRO A 103 7.098 -2.631 -3.171 1.00 41.50 N ATOM 1584 CA PRO A 103 6.503 -3.299 -2.021 1.00 52.34 C ATOM 1585 C PRO A 103 7.177 -2.882 -0.717 1.00 70.33 C ATOM 1586 O PRO A 103 8.318 -3.261 -0.448 1.00 63.11 O ATOM 1587 CB PRO A 103 6.752 -4.797 -2.296 1.00 21.23 C ATOM 1588 CG PRO A 103 7.210 -4.868 -3.718 1.00 42.13 C ATOM 1589 CD PRO A 103 7.869 -3.557 -4.001 1.00 40.05 C ATOM 0 HA PRO A 103 5.448 -3.050 -1.903 1.00 52.34 H new ATOM 0 HB2 PRO A 103 7.505 -5.201 -1.620 1.00 21.23 H new ATOM 0 HB3 PRO A 103 5.844 -5.380 -2.146 1.00 21.23 H new ATOM 0 HG2 PRO A 103 7.906 -5.694 -3.864 1.00 42.13 H new ATOM 0 HG3 PRO A 103 6.370 -5.036 -4.391 1.00 42.13 H new ATOM 0 HD2 PRO A 103 8.924 -3.565 -3.727 1.00 40.05 H new ATOM 0 HD3 PRO A 103 7.816 -3.296 -5.058 1.00 40.05 H new ATOM 1597 N VAL A 104 6.484 -2.076 0.068 1.00 65.41 N ATOM 1598 CA VAL A 104 6.996 -1.635 1.352 1.00 62.35 C ATOM 1599 C VAL A 104 6.721 -2.698 2.402 1.00 50.03 C ATOM 1600 O VAL A 104 5.563 -3.009 2.703 1.00 74.43 O ATOM 1601 CB VAL A 104 6.363 -0.290 1.787 1.00 62.12 C ATOM 1602 CG1 VAL A 104 6.867 0.133 3.160 1.00 32.43 C ATOM 1603 CG2 VAL A 104 6.656 0.789 0.755 1.00 63.22 C ATOM 0 H VAL A 104 5.560 -1.712 -0.164 1.00 65.41 H new ATOM 0 HA VAL A 104 8.070 -1.481 1.253 1.00 62.35 H new ATOM 0 HB VAL A 104 5.284 -0.427 1.853 1.00 62.12 H new ATOM 0 HG11 VAL A 104 6.407 1.080 3.441 1.00 32.43 H new ATOM 0 HG12 VAL A 104 6.606 -0.629 3.894 1.00 32.43 H new ATOM 0 HG13 VAL A 104 7.950 0.251 3.129 1.00 32.43 H new ATOM 0 HG21 VAL A 104 6.205 1.729 1.073 1.00 63.22 H new ATOM 0 HG22 VAL A 104 7.734 0.918 0.659 1.00 63.22 H new ATOM 0 HG23 VAL A 104 6.239 0.494 -0.208 1.00 63.22 H new ATOM 1613 N PHE A 105 7.779 -3.254 2.945 1.00 44.34 N ATOM 1614 CA PHE A 105 7.665 -4.326 3.907 1.00 32.03 C ATOM 1615 C PHE A 105 7.418 -3.782 5.303 1.00 72.41 C ATOM 1616 O PHE A 105 8.162 -2.929 5.794 1.00 33.43 O ATOM 1617 CB PHE A 105 8.921 -5.194 3.876 1.00 2.50 C ATOM 1618 CG PHE A 105 9.276 -5.662 2.493 1.00 30.10 C ATOM 1619 CD1 PHE A 105 8.448 -6.537 1.811 1.00 41.01 C ATOM 1620 CD2 PHE A 105 10.431 -5.214 1.868 1.00 21.23 C ATOM 1621 CE1 PHE A 105 8.763 -6.959 0.535 1.00 51.05 C ATOM 1622 CE2 PHE A 105 10.751 -5.634 0.590 1.00 51.10 C ATOM 1623 CZ PHE A 105 9.917 -6.508 -0.076 1.00 70.01 C ATOM 0 H PHE A 105 8.738 -2.978 2.734 1.00 44.34 H new ATOM 0 HA PHE A 105 6.808 -4.943 3.636 1.00 32.03 H new ATOM 0 HB2 PHE A 105 9.757 -4.629 4.288 1.00 2.50 H new ATOM 0 HB3 PHE A 105 8.773 -6.061 4.520 1.00 2.50 H new ATOM 0 HD1 PHE A 105 7.545 -6.894 2.283 1.00 41.01 H new ATOM 0 HD2 PHE A 105 11.087 -4.530 2.385 1.00 21.23 H new ATOM 0 HE1 PHE A 105 8.108 -7.642 0.015 1.00 51.05 H new ATOM 0 HE2 PHE A 105 11.653 -5.278 0.114 1.00 51.10 H new ATOM 0 HZ PHE A 105 10.166 -6.839 -1.073 1.00 70.01 H new ATOM 1633 N THR A 106 6.364 -4.271 5.928 1.00 65.24 N ATOM 1634 CA THR A 106 5.991 -3.847 7.259 1.00 25.31 C ATOM 1635 C THR A 106 5.584 -5.057 8.106 1.00 50.42 C ATOM 1636 O THR A 106 5.789 -6.207 7.700 1.00 64.30 O ATOM 1637 CB THR A 106 4.826 -2.834 7.211 1.00 3.24 C ATOM 1638 OG1 THR A 106 3.770 -3.345 6.387 1.00 44.31 O ATOM 1639 CG2 THR A 106 5.289 -1.488 6.668 1.00 43.35 C ATOM 0 H THR A 106 5.744 -4.973 5.525 1.00 65.24 H new ATOM 0 HA THR A 106 6.856 -3.362 7.712 1.00 25.31 H new ATOM 0 HB THR A 106 4.463 -2.688 8.228 1.00 3.24 H new ATOM 0 HG1 THR A 106 3.968 -4.272 6.139 1.00 44.31 H new ATOM 0 HG21 THR A 106 4.447 -0.796 6.646 1.00 43.35 H new ATOM 0 HG22 THR A 106 6.073 -1.086 7.311 1.00 43.35 H new ATOM 0 HG23 THR A 106 5.679 -1.618 5.658 1.00 43.35 H new ATOM 1647 N ASP A 107 5.008 -4.800 9.270 1.00 45.01 N ATOM 1648 CA ASP A 107 4.593 -5.871 10.171 1.00 62.42 C ATOM 1649 C ASP A 107 3.349 -6.570 9.654 1.00 74.13 C ATOM 1650 O ASP A 107 3.315 -7.798 9.528 1.00 73.34 O ATOM 1651 CB ASP A 107 4.325 -5.324 11.578 1.00 51.34 C ATOM 1652 CG ASP A 107 5.551 -4.709 12.212 1.00 14.41 C ATOM 1653 OD1 ASP A 107 6.382 -5.463 12.761 1.00 1.41 O ATOM 1654 OD2 ASP A 107 5.686 -3.468 12.172 1.00 4.21 O ATOM 0 H ASP A 107 4.816 -3.860 9.616 1.00 45.01 H new ATOM 0 HA ASP A 107 5.408 -6.594 10.217 1.00 62.42 H new ATOM 0 HB2 ASP A 107 3.534 -4.576 11.527 1.00 51.34 H new ATOM 0 HB3 ASP A 107 3.960 -6.131 12.213 1.00 51.34 H new ATOM 1659 N SER A 108 2.334 -5.785 9.338 1.00 64.35 N ATOM 1660 CA SER A 108 1.067 -6.316 8.867 1.00 15.12 C ATOM 1661 C SER A 108 1.212 -6.988 7.503 1.00 41.32 C ATOM 1662 O SER A 108 0.422 -7.860 7.147 1.00 31.40 O ATOM 1663 CB SER A 108 0.030 -5.202 8.805 1.00 42.12 C ATOM 1664 OG SER A 108 -0.069 -4.532 10.052 1.00 1.43 O ATOM 0 H SER A 108 2.364 -4.767 9.400 1.00 64.35 H new ATOM 0 HA SER A 108 0.735 -7.077 9.573 1.00 15.12 H new ATOM 0 HB2 SER A 108 0.302 -4.490 8.026 1.00 42.12 H new ATOM 0 HB3 SER A 108 -0.940 -5.618 8.533 1.00 42.12 H new ATOM 0 HG SER A 108 -0.739 -3.820 9.988 1.00 1.43 H new ATOM 1670 N GLY A 109 2.224 -6.590 6.755 1.00 51.24 N ATOM 1671 CA GLY A 109 2.444 -7.176 5.460 1.00 31.51 C ATOM 1672 C GLY A 109 3.124 -6.234 4.516 1.00 32.41 C ATOM 1673 O GLY A 109 4.087 -5.558 4.885 1.00 75.34 O ATOM 0 H GLY A 109 2.896 -5.871 7.024 1.00 51.24 H new ATOM 0 HA2 GLY A 109 3.049 -8.076 5.569 1.00 31.51 H new ATOM 0 HA3 GLY A 109 1.488 -7.484 5.036 1.00 31.51 H new ATOM 1677 N ILE A 110 2.628 -6.172 3.306 1.00 34.45 N ATOM 1678 CA ILE A 110 3.202 -5.315 2.298 1.00 71.14 C ATOM 1679 C ILE A 110 2.303 -4.115 2.040 1.00 0.40 C ATOM 1680 O ILE A 110 1.091 -4.259 1.853 1.00 72.02 O ATOM 1681 CB ILE A 110 3.440 -6.083 0.973 1.00 70.13 C ATOM 1682 CG1 ILE A 110 4.433 -7.233 1.197 1.00 3.12 C ATOM 1683 CG2 ILE A 110 3.946 -5.142 -0.116 1.00 72.45 C ATOM 1684 CD1 ILE A 110 4.683 -8.079 -0.036 1.00 22.53 C ATOM 0 H ILE A 110 1.820 -6.710 2.993 1.00 34.45 H new ATOM 0 HA ILE A 110 4.165 -4.968 2.673 1.00 71.14 H new ATOM 0 HB ILE A 110 2.490 -6.502 0.642 1.00 70.13 H new ATOM 0 HG12 ILE A 110 5.381 -6.819 1.540 1.00 3.12 H new ATOM 0 HG13 ILE A 110 4.058 -7.874 1.995 1.00 3.12 H new ATOM 0 HG21 ILE A 110 4.106 -5.703 -1.037 1.00 72.45 H new ATOM 0 HG22 ILE A 110 3.208 -4.359 -0.292 1.00 72.45 H new ATOM 0 HG23 ILE A 110 4.886 -4.690 0.201 1.00 72.45 H new ATOM 0 HD11 ILE A 110 5.395 -8.869 0.203 1.00 22.53 H new ATOM 0 HD12 ILE A 110 3.745 -8.524 -0.368 1.00 22.53 H new ATOM 0 HD13 ILE A 110 5.089 -7.453 -0.830 1.00 22.53 H new ATOM 1696 N HIS A 111 2.896 -2.938 2.068 1.00 2.34 N ATOM 1697 CA HIS A 111 2.185 -1.709 1.789 1.00 73.15 C ATOM 1698 C HIS A 111 2.672 -1.110 0.484 1.00 32.45 C ATOM 1699 O HIS A 111 3.862 -1.116 0.199 1.00 42.41 O ATOM 1700 CB HIS A 111 2.373 -0.681 2.918 1.00 31.51 C ATOM 1701 CG HIS A 111 1.480 -0.875 4.114 1.00 45.01 C ATOM 1702 ND1 HIS A 111 0.207 -0.355 4.192 1.00 43.33 N ATOM 1703 CD2 HIS A 111 1.697 -1.498 5.293 1.00 65.44 C ATOM 1704 CE1 HIS A 111 -0.317 -0.646 5.367 1.00 13.35 C ATOM 1705 NE2 HIS A 111 0.562 -1.339 6.056 1.00 3.11 N ATOM 0 H HIS A 111 3.884 -2.808 2.285 1.00 2.34 H new ATOM 0 HA HIS A 111 1.125 -1.952 1.714 1.00 73.15 H new ATOM 0 HB2 HIS A 111 3.411 -0.715 3.250 1.00 31.51 H new ATOM 0 HB3 HIS A 111 2.200 0.316 2.513 1.00 31.51 H new ATOM 0 HD2 HIS A 111 2.595 -2.024 5.583 1.00 65.44 H new ATOM 0 HE1 HIS A 111 -1.302 -0.363 5.706 1.00 13.35 H new ATOM 0 HE2 HIS A 111 0.426 -1.700 7.000 1.00 3.11 H new ATOM 1714 N ILE A 112 1.755 -0.622 -0.317 1.00 54.14 N ATOM 1715 CA ILE A 112 2.118 0.059 -1.548 1.00 3.13 C ATOM 1716 C ILE A 112 1.845 1.542 -1.375 1.00 72.10 C ATOM 1717 O ILE A 112 0.870 1.921 -0.716 1.00 74.24 O ATOM 1718 CB ILE A 112 1.315 -0.458 -2.760 1.00 25.05 C ATOM 1719 CG1 ILE A 112 1.271 -1.989 -2.775 1.00 51.44 C ATOM 1720 CG2 ILE A 112 1.928 0.064 -4.059 1.00 75.11 C ATOM 1721 CD1 ILE A 112 0.449 -2.561 -3.910 1.00 12.23 C ATOM 0 H ILE A 112 0.752 -0.681 -0.143 1.00 54.14 H new ATOM 0 HA ILE A 112 3.173 -0.133 -1.743 1.00 3.13 H new ATOM 0 HB ILE A 112 0.293 -0.088 -2.675 1.00 25.05 H new ATOM 0 HG12 ILE A 112 2.289 -2.373 -2.846 1.00 51.44 H new ATOM 0 HG13 ILE A 112 0.862 -2.342 -1.828 1.00 51.44 H new ATOM 0 HG21 ILE A 112 1.353 -0.307 -4.907 1.00 75.11 H new ATOM 0 HG22 ILE A 112 1.910 1.154 -4.058 1.00 75.11 H new ATOM 0 HG23 ILE A 112 2.959 -0.282 -4.140 1.00 75.11 H new ATOM 0 HD11 ILE A 112 0.463 -3.650 -3.857 1.00 12.23 H new ATOM 0 HD12 ILE A 112 -0.579 -2.207 -3.829 1.00 12.23 H new ATOM 0 HD13 ILE A 112 0.870 -2.239 -4.862 1.00 12.23 H new ATOM 1733 N ILE A 113 2.697 2.376 -1.941 1.00 25.34 N ATOM 1734 CA ILE A 113 2.548 3.810 -1.803 1.00 44.22 C ATOM 1735 C ILE A 113 2.368 4.475 -3.158 1.00 0.24 C ATOM 1736 O ILE A 113 3.253 4.418 -4.010 1.00 1.34 O ATOM 1737 CB ILE A 113 3.773 4.439 -1.118 1.00 43.12 C ATOM 1738 CG1 ILE A 113 4.106 3.703 0.178 1.00 64.40 C ATOM 1739 CG2 ILE A 113 3.518 5.915 -0.845 1.00 62.32 C ATOM 1740 CD1 ILE A 113 5.346 4.220 0.871 1.00 22.51 C ATOM 0 H ILE A 113 3.499 2.084 -2.500 1.00 25.34 H new ATOM 0 HA ILE A 113 1.662 3.973 -1.189 1.00 44.22 H new ATOM 0 HB ILE A 113 4.629 4.349 -1.787 1.00 43.12 H new ATOM 0 HG12 ILE A 113 3.259 3.785 0.859 1.00 64.40 H new ATOM 0 HG13 ILE A 113 4.238 2.643 -0.040 1.00 64.40 H new ATOM 0 HG21 ILE A 113 4.391 6.351 -0.360 1.00 62.32 H new ATOM 0 HG22 ILE A 113 3.330 6.432 -1.786 1.00 62.32 H new ATOM 0 HG23 ILE A 113 2.651 6.020 -0.193 1.00 62.32 H new ATOM 0 HD11 ILE A 113 5.518 3.649 1.783 1.00 22.51 H new ATOM 0 HD12 ILE A 113 6.205 4.113 0.208 1.00 22.51 H new ATOM 0 HD13 ILE A 113 5.211 5.272 1.122 1.00 22.51 H new ATOM 1752 N LEU A 114 1.227 5.097 -3.347 1.00 43.43 N ATOM 1753 CA LEU A 114 0.942 5.832 -4.564 1.00 25.53 C ATOM 1754 C LEU A 114 0.575 7.266 -4.212 1.00 71.33 C ATOM 1755 O LEU A 114 -0.531 7.528 -3.740 1.00 71.24 O ATOM 1756 CB LEU A 114 -0.203 5.164 -5.338 1.00 74.33 C ATOM 1757 CG LEU A 114 -0.716 5.921 -6.571 1.00 2.25 C ATOM 1758 CD1 LEU A 114 0.365 6.035 -7.633 1.00 62.04 C ATOM 1759 CD2 LEU A 114 -1.947 5.237 -7.138 1.00 15.23 C ATOM 0 H LEU A 114 0.469 5.110 -2.664 1.00 43.43 H new ATOM 0 HA LEU A 114 1.828 5.832 -5.199 1.00 25.53 H new ATOM 0 HB2 LEU A 114 0.128 4.175 -5.656 1.00 74.33 H new ATOM 0 HB3 LEU A 114 -1.039 5.016 -4.654 1.00 74.33 H new ATOM 0 HG LEU A 114 -0.988 6.929 -6.259 1.00 2.25 H new ATOM 0 HD11 LEU A 114 -0.027 6.576 -8.494 1.00 62.04 H new ATOM 0 HD12 LEU A 114 1.220 6.573 -7.225 1.00 62.04 H new ATOM 0 HD13 LEU A 114 0.678 5.038 -7.942 1.00 62.04 H new ATOM 0 HD21 LEU A 114 -2.298 5.786 -8.012 1.00 15.23 H new ATOM 0 HD22 LEU A 114 -1.695 4.217 -7.428 1.00 15.23 H new ATOM 0 HD23 LEU A 114 -2.732 5.216 -6.382 1.00 15.23 H new ATOM 1771 N ARG A 115 1.500 8.190 -4.417 1.00 22.43 N ATOM 1772 CA ARG A 115 1.243 9.583 -4.091 1.00 4.33 C ATOM 1773 C ARG A 115 0.311 10.212 -5.115 1.00 43.02 C ATOM 1774 O ARG A 115 0.699 10.461 -6.259 1.00 55.32 O ATOM 1775 CB ARG A 115 2.543 10.388 -3.972 1.00 20.05 C ATOM 1776 CG ARG A 115 2.307 11.854 -3.623 1.00 43.43 C ATOM 1777 CD ARG A 115 3.608 12.611 -3.417 1.00 43.35 C ATOM 1778 NE ARG A 115 3.377 14.054 -3.308 1.00 41.30 N ATOM 1779 CZ ARG A 115 4.334 14.972 -3.158 1.00 31.21 C ATOM 1780 NH1 ARG A 115 5.608 14.612 -3.077 1.00 44.15 N ATOM 1781 NH2 ARG A 115 4.013 16.257 -3.084 1.00 32.14 N ATOM 0 H ARG A 115 2.425 8.004 -4.803 1.00 22.43 H new ATOM 0 HA ARG A 115 0.754 9.607 -3.117 1.00 4.33 H new ATOM 0 HB2 ARG A 115 3.175 9.936 -3.208 1.00 20.05 H new ATOM 0 HB3 ARG A 115 3.089 10.328 -4.914 1.00 20.05 H new ATOM 0 HG2 ARG A 115 1.735 12.328 -4.421 1.00 43.43 H new ATOM 0 HG3 ARG A 115 1.704 11.918 -2.717 1.00 43.43 H new ATOM 0 HD2 ARG A 115 4.101 12.251 -2.514 1.00 43.35 H new ATOM 0 HD3 ARG A 115 4.283 12.411 -4.250 1.00 43.35 H new ATOM 0 HE ARG A 115 2.412 14.381 -3.350 1.00 41.30 H new ATOM 0 HH11 ARG A 115 5.864 13.626 -3.129 1.00 44.15 H new ATOM 0 HH12 ARG A 115 6.332 15.321 -2.962 1.00 44.15 H new ATOM 0 HH21 ARG A 115 3.036 16.543 -3.142 1.00 32.14 H new ATOM 0 HH22 ARG A 115 4.744 16.959 -2.969 1.00 32.14 H new ATOM 1795 N THR A 116 -0.912 10.452 -4.696 1.00 12.45 N ATOM 1796 CA THR A 116 -1.926 11.031 -5.541 1.00 55.15 C ATOM 1797 C THR A 116 -1.672 12.525 -5.745 1.00 55.32 C ATOM 1798 O THR A 116 -1.654 13.014 -6.876 1.00 40.14 O ATOM 1799 CB THR A 116 -3.316 10.834 -4.907 1.00 60.32 C ATOM 1800 OG1 THR A 116 -3.454 9.473 -4.467 1.00 21.35 O ATOM 1801 CG2 THR A 116 -4.417 11.158 -5.903 1.00 71.53 C ATOM 0 H THR A 116 -1.231 10.248 -3.749 1.00 12.45 H new ATOM 0 HA THR A 116 -1.889 10.530 -6.508 1.00 55.15 H new ATOM 0 HB THR A 116 -3.407 11.511 -4.057 1.00 60.32 H new ATOM 0 HG1 THR A 116 -4.273 9.382 -3.937 1.00 21.35 H new ATOM 0 HG21 THR A 116 -5.389 11.011 -5.432 1.00 71.53 H new ATOM 0 HG22 THR A 116 -4.323 12.195 -6.225 1.00 71.53 H new ATOM 0 HG23 THR A 116 -4.330 10.500 -6.768 1.00 71.53 H new ATOM 1809 N GLU A 117 -1.469 13.238 -4.644 1.00 25.12 N ATOM 1810 CA GLU A 117 -1.221 14.672 -4.681 1.00 14.23 C ATOM 1811 C GLU A 117 -0.134 15.041 -3.685 1.00 4.12 C ATOM 1812 O GLU A 117 -0.459 15.266 -2.497 1.00 0.00 O ATOM 1813 CB GLU A 117 -2.510 15.461 -4.386 1.00 31.54 C ATOM 1814 CG GLU A 117 -3.591 15.289 -5.443 1.00 35.13 C ATOM 1815 CD GLU A 117 -4.879 15.991 -5.087 1.00 50.03 C ATOM 1816 OE1 GLU A 117 -5.039 17.175 -5.448 1.00 15.01 O ATOM 1817 OE2 GLU A 117 -5.748 15.362 -4.455 1.00 45.23 O ATOM 1818 OXT GLU A 117 1.043 15.084 -4.084 1.00 0.00 O ATOM 0 H GLU A 117 -1.472 12.840 -3.705 1.00 25.12 H new ATOM 0 HA GLU A 117 -0.885 14.936 -5.684 1.00 14.23 H new ATOM 0 HB2 GLU A 117 -2.905 15.145 -3.421 1.00 31.54 H new ATOM 0 HB3 GLU A 117 -2.265 16.520 -4.299 1.00 31.54 H new ATOM 0 HG2 GLU A 117 -3.225 15.673 -6.395 1.00 35.13 H new ATOM 0 HG3 GLU A 117 -3.789 14.226 -5.583 1.00 35.13 H new