USER MOD reduce.3.24.130724 H: found=0, std=0, add=1001, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1003 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 26 HIS : no HD1:sc= 0.949 K(o=2.1,f=-7!) USER MOD Set 1.2: B 11 GLN :FLIP amide:sc= 1.17 F(o=1.6,f=2.1) USER MOD Set 2.1: A 8 THR OG1 : rot -86:sc= 0.66 USER MOD Set 2.2: A 11 GLN : amide:sc= 0.727 X(o=2,f=2.4) USER MOD Set 2.3: B 26 HIS : +bothHN:sc= 0.622 K(o=2,f=-9.8!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0.00272 USER MOD Single : A 33 THR OG1 : rot 77:sc= 0.141 USER MOD Single : A 35 MET CE :methyl 138:sc= -0.822 (180deg=-1.82) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot 77:sc= 1.22 USER MOD Single : A 43 ASN : amide:sc= 0.975 K(o=0.98,f=-5.1!) USER MOD Single : A 46 ASN : amide:sc= -0.0563 K(o=-0.056,f=-2.6!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.261 K(o=-0.26,f=-2!) USER MOD Single : A 55 LYS NZ :NH3+ -177:sc= 1.19 (180deg=1.03) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN :FLIP amide:sc= -0.769 F(o=-5.7!,f=-0.77) USER MOD Single : A 66 MET CE :methyl 178:sc= 0 (180deg=-0.0059) USER MOD Single : A 67 SER OG : rot -84:sc= 1.05 USER MOD Single : A 68 SER OG : rot -81:sc= 1.23 USER MOD Single : B 8 THR OG1 : rot 29:sc= 0.331 USER MOD Single : B 14 LYS NZ :NH3+ -159:sc= 1.26 (180deg=1.05) USER MOD Single : B 25 LYS NZ :NH3+ -145:sc= 1.28 (180deg=0.985) USER MOD Single : B 29 SER OG : rot 180:sc= 0 USER MOD Single : B 33 THR OG1 : rot 71:sc= 0.264 USER MOD Single : B 35 MET CE :methyl 170:sc= -0.0266 (180deg=-0.264) USER MOD Single : B 39 ASN : amide:sc= 1.11 K(o=1.1,f=-0.018) USER MOD Single : B 42 THR OG1 : rot 83:sc= 1.27 USER MOD Single : B 43 ASN : amide:sc= -0.459 K(o=-0.46,f=-2.3!) USER MOD Single : B 46 ASN : amide:sc= -0.0069 K(o=-0.0069,f=-1.8) USER MOD Single : B 47 GLN : amide:sc=-0.00471 K(o=-0.0047,f=-0.93) USER MOD Single : B 52 SER OG : rot 180:sc= 0 USER MOD Single : B 53 GLN : amide:sc= -1.3 X(o=-1.3,f=-0.81) USER MOD Single : B 55 LYS NZ :NH3+ -178:sc= 1.19 (180deg=1.11) USER MOD Single : B 60 LYS NZ :NH3+ 178:sc= 1.12 (180deg=1.12) USER MOD Single : B 63 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : B 66 MET CE :methyl 155:sc= 0 (180deg=-0.863) USER MOD Single : B 67 SER OG : rot 180:sc= 0 USER MOD Single : B 68 SER OG : rot -40:sc= 0.259 USER MOD ----------------------------------------------------------------- ATOM 97 N TYR A 7 -5.361 5.809 16.879 1.00 0.00 N ATOM 98 CA TYR A 7 -5.466 7.102 16.224 1.00 0.00 C ATOM 99 C TYR A 7 -6.928 7.490 16.058 1.00 0.00 C ATOM 100 O TYR A 7 -7.827 6.684 16.306 1.00 0.00 O ATOM 101 CB TYR A 7 -4.793 7.087 14.846 1.00 0.00 C ATOM 102 CG TYR A 7 -3.297 6.871 14.875 1.00 0.00 C ATOM 103 CD1 TYR A 7 -2.458 7.774 15.511 1.00 0.00 C ATOM 104 CD2 TYR A 7 -2.726 5.766 14.256 1.00 0.00 C ATOM 105 CE1 TYR A 7 -1.089 7.583 15.530 1.00 0.00 C ATOM 106 CE2 TYR A 7 -1.360 5.570 14.269 1.00 0.00 C ATOM 107 CZ TYR A 7 -0.545 6.479 14.909 1.00 0.00 C ATOM 108 OH TYR A 7 0.816 6.287 14.924 1.00 0.00 O ATOM 0 HA TYR A 7 -4.957 7.831 16.854 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -5.248 6.301 14.243 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -5.000 8.033 14.345 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -2.881 8.640 15.999 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -3.361 5.049 13.757 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -0.449 8.295 16.029 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -0.931 4.708 13.780 1.00 0.00 H new ATOM 0 HH TYR A 7 1.035 5.462 14.443 1.00 0.00 H new ATOM 118 N THR A 8 -7.160 8.723 15.638 1.00 0.00 N ATOM 119 CA THR A 8 -8.505 9.186 15.349 1.00 0.00 C ATOM 120 C THR A 8 -9.034 8.546 14.068 1.00 0.00 C ATOM 121 O THR A 8 -8.525 8.814 12.975 1.00 0.00 O ATOM 122 CB THR A 8 -8.535 10.717 15.216 1.00 0.00 C ATOM 123 OG1 THR A 8 -7.214 11.204 14.934 1.00 0.00 O ATOM 124 CG2 THR A 8 -9.062 11.367 16.482 1.00 0.00 C ATOM 0 H THR A 8 -6.432 9.422 15.490 1.00 0.00 H new ATOM 0 HA THR A 8 -9.146 8.891 16.180 1.00 0.00 H new ATOM 0 HB THR A 8 -9.205 10.976 14.396 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.728 11.338 15.775 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.072 12.450 16.358 1.00 0.00 H new ATOM 0 HG22 THR A 8 -10.075 11.015 16.677 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.418 11.104 17.321 1.00 0.00 H new ATOM 132 N ASP A 9 -10.045 7.695 14.218 1.00 0.00 N ATOM 133 CA ASP A 9 -10.631 6.969 13.092 1.00 0.00 C ATOM 134 C ASP A 9 -11.098 7.937 12.011 1.00 0.00 C ATOM 135 O ASP A 9 -10.842 7.732 10.825 1.00 0.00 O ATOM 136 CB ASP A 9 -11.806 6.111 13.576 1.00 0.00 C ATOM 137 CG ASP A 9 -12.357 5.184 12.504 1.00 0.00 C ATOM 138 OD1 ASP A 9 -13.253 5.607 11.744 1.00 0.00 O ATOM 139 OD2 ASP A 9 -11.916 4.012 12.443 1.00 0.00 O ATOM 0 H ASP A 9 -10.480 7.489 15.117 1.00 0.00 H new ATOM 0 HA ASP A 9 -9.868 6.319 12.664 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -11.484 5.516 14.431 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -12.604 6.765 13.926 1.00 0.00 H new ATOM 144 N GLU A 10 -11.756 9.008 12.441 1.00 0.00 N ATOM 145 CA GLU A 10 -12.232 10.032 11.525 1.00 0.00 C ATOM 146 C GLU A 10 -11.078 10.698 10.786 1.00 0.00 C ATOM 147 O GLU A 10 -11.137 10.868 9.572 1.00 0.00 O ATOM 148 CB GLU A 10 -13.042 11.090 12.274 1.00 0.00 C ATOM 149 CG GLU A 10 -14.459 10.656 12.608 1.00 0.00 C ATOM 150 CD GLU A 10 -15.329 10.543 11.374 1.00 0.00 C ATOM 151 OE1 GLU A 10 -15.794 11.591 10.878 1.00 0.00 O ATOM 152 OE2 GLU A 10 -15.557 9.414 10.897 1.00 0.00 O ATOM 0 H GLU A 10 -11.971 9.188 13.422 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.872 9.541 10.792 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.523 11.345 13.198 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -13.083 11.997 11.671 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -14.431 9.694 13.120 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -14.903 11.372 13.299 1.00 0.00 H new ATOM 159 N GLN A 11 -10.022 11.061 11.511 1.00 0.00 N ATOM 160 CA GLN A 11 -8.912 11.784 10.902 1.00 0.00 C ATOM 161 C GLN A 11 -8.226 10.934 9.842 1.00 0.00 C ATOM 162 O GLN A 11 -7.924 11.426 8.757 1.00 0.00 O ATOM 163 CB GLN A 11 -7.885 12.238 11.937 1.00 0.00 C ATOM 164 CG GLN A 11 -6.786 13.093 11.320 1.00 0.00 C ATOM 165 CD GLN A 11 -5.828 13.689 12.331 1.00 0.00 C ATOM 166 OE1 GLN A 11 -5.268 14.762 12.103 1.00 0.00 O ATOM 167 NE2 GLN A 11 -5.623 13.000 13.442 1.00 0.00 N ATOM 0 H GLN A 11 -9.913 10.869 12.507 1.00 0.00 H new ATOM 0 HA GLN A 11 -9.337 12.672 10.434 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -8.388 12.805 12.720 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -7.440 11.364 12.412 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.221 12.485 10.613 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.245 13.901 10.750 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -6.108 12.115 13.590 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.980 13.354 14.150 1.00 0.00 H new ATOM 176 N VAL A 12 -7.982 9.665 10.155 1.00 0.00 N ATOM 177 CA VAL A 12 -7.373 8.749 9.193 1.00 0.00 C ATOM 178 C VAL A 12 -8.209 8.702 7.921 1.00 0.00 C ATOM 179 O VAL A 12 -7.678 8.784 6.813 1.00 0.00 O ATOM 180 CB VAL A 12 -7.225 7.316 9.762 1.00 0.00 C ATOM 181 CG1 VAL A 12 -6.634 6.373 8.721 1.00 0.00 C ATOM 182 CG2 VAL A 12 -6.366 7.320 11.018 1.00 0.00 C ATOM 0 H VAL A 12 -8.195 9.248 11.061 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.374 9.127 8.974 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.220 6.957 10.023 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.541 5.374 9.146 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.288 6.337 7.850 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.650 6.733 8.421 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.276 6.303 11.400 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.375 7.708 10.780 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.831 7.952 11.775 1.00 0.00 H new ATOM 192 N GLU A 13 -9.521 8.612 8.097 1.00 0.00 N ATOM 193 CA GLU A 13 -10.448 8.583 6.976 1.00 0.00 C ATOM 194 C GLU A 13 -10.385 9.897 6.197 1.00 0.00 C ATOM 195 O GLU A 13 -10.415 9.900 4.968 1.00 0.00 O ATOM 196 CB GLU A 13 -11.872 8.339 7.485 1.00 0.00 C ATOM 197 CG GLU A 13 -12.876 8.005 6.393 1.00 0.00 C ATOM 198 CD GLU A 13 -12.606 6.664 5.741 1.00 0.00 C ATOM 199 OE1 GLU A 13 -12.738 5.628 6.429 1.00 0.00 O ATOM 200 OE2 GLU A 13 -12.271 6.636 4.540 1.00 0.00 O ATOM 0 H GLU A 13 -9.968 8.558 9.012 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.165 7.771 6.307 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.853 7.523 8.207 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.213 9.227 8.017 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.880 8.003 6.817 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.853 8.785 5.632 1.00 0.00 H new ATOM 207 N LYS A 14 -10.275 11.014 6.916 1.00 0.00 N ATOM 208 CA LYS A 14 -10.220 12.327 6.281 1.00 0.00 C ATOM 209 C LYS A 14 -8.922 12.499 5.501 1.00 0.00 C ATOM 210 O LYS A 14 -8.929 13.029 4.393 1.00 0.00 O ATOM 211 CB LYS A 14 -10.361 13.456 7.309 1.00 0.00 C ATOM 212 CG LYS A 14 -11.647 13.401 8.119 1.00 0.00 C ATOM 213 CD LYS A 14 -12.879 13.327 7.231 1.00 0.00 C ATOM 214 CE LYS A 14 -14.140 13.148 8.061 1.00 0.00 C ATOM 215 NZ LYS A 14 -15.343 12.954 7.212 1.00 0.00 N ATOM 0 H LYS A 14 -10.223 11.034 7.934 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.061 12.386 5.590 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -9.512 13.419 7.992 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -10.312 14.413 6.790 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.623 12.533 8.778 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.712 14.283 8.756 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.958 14.237 6.636 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -12.778 12.496 6.532 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -14.020 12.289 8.721 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -14.282 14.022 8.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -16.180 12.836 7.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -15.473 13.784 6.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.219 12.106 6.623 1.00 0.00 H new ATOM 229 N ILE A 15 -7.811 12.046 6.078 1.00 0.00 N ATOM 230 CA ILE A 15 -6.523 12.103 5.395 1.00 0.00 C ATOM 231 C ILE A 15 -6.585 11.283 4.113 1.00 0.00 C ATOM 232 O ILE A 15 -6.170 11.738 3.047 1.00 0.00 O ATOM 233 CB ILE A 15 -5.370 11.572 6.276 1.00 0.00 C ATOM 234 CG1 ILE A 15 -5.300 12.338 7.597 1.00 0.00 C ATOM 235 CG2 ILE A 15 -4.046 11.680 5.532 1.00 0.00 C ATOM 236 CD1 ILE A 15 -4.266 11.797 8.561 1.00 0.00 C ATOM 0 H ILE A 15 -7.778 11.638 7.012 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.321 13.151 5.171 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.564 10.523 6.499 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.077 13.384 7.388 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.279 12.310 8.075 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.242 11.303 6.164 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.094 11.091 4.616 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.853 12.723 5.283 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.275 12.391 9.475 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.499 10.759 8.800 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.278 11.850 8.103 1.00 0.00 H new ATOM 248 N LEU A 16 -7.132 10.076 4.226 1.00 0.00 N ATOM 249 CA LEU A 16 -7.329 9.209 3.075 1.00 0.00 C ATOM 250 C LEU A 16 -8.229 9.884 2.049 1.00 0.00 C ATOM 251 O LEU A 16 -7.994 9.785 0.848 1.00 0.00 O ATOM 252 CB LEU A 16 -7.945 7.879 3.513 1.00 0.00 C ATOM 253 CG LEU A 16 -7.046 7.001 4.383 1.00 0.00 C ATOM 254 CD1 LEU A 16 -7.830 5.818 4.927 1.00 0.00 C ATOM 255 CD2 LEU A 16 -5.846 6.518 3.585 1.00 0.00 C ATOM 0 H LEU A 16 -7.448 9.677 5.110 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.358 9.017 2.618 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.864 8.086 4.061 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.224 7.316 2.623 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.687 7.596 5.223 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.177 5.202 5.545 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.663 6.180 5.529 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.213 5.223 4.098 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.215 5.894 4.218 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.188 5.937 2.729 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.272 7.376 3.235 1.00 0.00 H new ATOM 267 N ALA A 17 -9.251 10.582 2.539 1.00 0.00 N ATOM 268 CA ALA A 17 -10.175 11.308 1.678 1.00 0.00 C ATOM 269 C ALA A 17 -9.457 12.416 0.913 1.00 0.00 C ATOM 270 O ALA A 17 -9.664 12.571 -0.288 1.00 0.00 O ATOM 271 CB ALA A 17 -11.331 11.882 2.491 1.00 0.00 C ATOM 0 H ALA A 17 -9.459 10.659 3.535 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.580 10.603 0.952 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -12.009 12.420 1.829 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -11.870 11.071 2.981 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.941 12.566 3.245 1.00 0.00 H new ATOM 277 N GLU A 18 -8.610 13.176 1.607 1.00 0.00 N ATOM 278 CA GLU A 18 -7.842 14.245 0.969 1.00 0.00 C ATOM 279 C GLU A 18 -6.906 13.676 -0.095 1.00 0.00 C ATOM 280 O GLU A 18 -6.818 14.204 -1.204 1.00 0.00 O ATOM 281 CB GLU A 18 -7.034 15.037 2.004 1.00 0.00 C ATOM 282 CG GLU A 18 -7.891 15.767 3.027 1.00 0.00 C ATOM 283 CD GLU A 18 -7.075 16.665 3.937 1.00 0.00 C ATOM 284 OE1 GLU A 18 -6.877 17.849 3.590 1.00 0.00 O ATOM 285 OE2 GLU A 18 -6.638 16.201 5.013 1.00 0.00 O ATOM 0 H GLU A 18 -8.439 13.072 2.607 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.551 14.922 0.491 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.364 14.355 2.527 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.408 15.763 1.484 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.639 16.366 2.508 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.430 15.037 3.631 1.00 0.00 H new ATOM 292 N VAL A 19 -6.215 12.595 0.248 1.00 0.00 N ATOM 293 CA VAL A 19 -5.324 11.927 -0.694 1.00 0.00 C ATOM 294 C VAL A 19 -6.109 11.391 -1.890 1.00 0.00 C ATOM 295 O VAL A 19 -5.743 11.626 -3.043 1.00 0.00 O ATOM 296 CB VAL A 19 -4.550 10.769 -0.023 1.00 0.00 C ATOM 297 CG1 VAL A 19 -3.677 10.041 -1.035 1.00 0.00 C ATOM 298 CG2 VAL A 19 -3.706 11.291 1.132 1.00 0.00 C ATOM 0 H VAL A 19 -6.254 12.162 1.171 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.603 12.669 -1.037 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.276 10.058 0.371 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.143 9.231 -0.539 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.303 9.631 -1.827 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.959 10.739 -1.465 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.168 10.463 1.593 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.992 12.024 0.758 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.353 11.760 1.873 1.00 0.00 H new ATOM 308 N ALA A 20 -7.203 10.692 -1.607 1.00 0.00 N ATOM 309 CA ALA A 20 -8.043 10.118 -2.648 1.00 0.00 C ATOM 310 C ALA A 20 -8.650 11.206 -3.523 1.00 0.00 C ATOM 311 O ALA A 20 -8.892 10.992 -4.703 1.00 0.00 O ATOM 312 CB ALA A 20 -9.138 9.256 -2.038 1.00 0.00 C ATOM 0 H ALA A 20 -7.529 10.509 -0.658 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.414 9.488 -3.277 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.755 8.836 -2.832 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.687 8.447 -1.463 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.758 9.866 -1.381 1.00 0.00 H new ATOM 318 N LEU A 21 -8.892 12.373 -2.935 1.00 0.00 N ATOM 319 CA LEU A 21 -9.435 13.510 -3.667 1.00 0.00 C ATOM 320 C LEU A 21 -8.460 13.953 -4.755 1.00 0.00 C ATOM 321 O LEU A 21 -8.852 14.180 -5.902 1.00 0.00 O ATOM 322 CB LEU A 21 -9.727 14.657 -2.688 1.00 0.00 C ATOM 323 CG LEU A 21 -10.393 15.901 -3.283 1.00 0.00 C ATOM 324 CD1 LEU A 21 -11.274 16.567 -2.241 1.00 0.00 C ATOM 325 CD2 LEU A 21 -9.348 16.889 -3.785 1.00 0.00 C ATOM 0 H LEU A 21 -8.719 12.556 -1.947 1.00 0.00 H new ATOM 0 HA LEU A 21 -10.367 13.219 -4.152 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.366 14.274 -1.892 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -8.788 14.960 -2.225 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.006 15.589 -4.128 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.744 17.451 -2.673 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -12.045 15.868 -1.916 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.667 16.861 -1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.846 17.764 -4.203 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.710 17.196 -2.956 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.740 16.415 -4.555 1.00 0.00 H new ATOM 337 N VAL A 22 -7.185 14.050 -4.392 1.00 0.00 N ATOM 338 CA VAL A 22 -6.150 14.446 -5.335 1.00 0.00 C ATOM 339 C VAL A 22 -6.033 13.411 -6.452 1.00 0.00 C ATOM 340 O VAL A 22 -5.911 13.758 -7.630 1.00 0.00 O ATOM 341 CB VAL A 22 -4.779 14.609 -4.639 1.00 0.00 C ATOM 342 CG1 VAL A 22 -3.713 15.054 -5.630 1.00 0.00 C ATOM 343 CG2 VAL A 22 -4.880 15.596 -3.485 1.00 0.00 C ATOM 0 H VAL A 22 -6.845 13.859 -3.449 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.438 15.410 -5.754 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.485 13.638 -4.240 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.759 15.161 -5.114 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.617 14.309 -6.420 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.999 16.011 -6.066 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.906 15.698 -3.007 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.202 16.566 -3.863 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.605 15.232 -2.757 1.00 0.00 H new ATOM 353 N LEU A 23 -6.090 12.142 -6.066 1.00 0.00 N ATOM 354 CA LEU A 23 -6.015 11.040 -7.018 1.00 0.00 C ATOM 355 C LEU A 23 -7.238 11.037 -7.931 1.00 0.00 C ATOM 356 O LEU A 23 -7.123 10.843 -9.141 1.00 0.00 O ATOM 357 CB LEU A 23 -5.927 9.703 -6.273 1.00 0.00 C ATOM 358 CG LEU A 23 -4.777 9.588 -5.270 1.00 0.00 C ATOM 359 CD1 LEU A 23 -4.804 8.235 -4.577 1.00 0.00 C ATOM 360 CD2 LEU A 23 -3.441 9.809 -5.960 1.00 0.00 C ATOM 0 H LEU A 23 -6.189 11.849 -5.094 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.120 11.173 -7.626 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.866 9.538 -5.745 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.829 8.903 -7.007 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.904 10.363 -4.514 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.979 8.173 -3.868 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.748 8.117 -4.046 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.704 7.444 -5.320 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.636 9.723 -5.230 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.306 9.059 -6.739 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.422 10.803 -6.406 1.00 0.00 H new ATOM 372 N GLU A 24 -8.400 11.275 -7.335 1.00 0.00 N ATOM 373 CA GLU A 24 -9.665 11.249 -8.052 1.00 0.00 C ATOM 374 C GLU A 24 -9.693 12.319 -9.137 1.00 0.00 C ATOM 375 O GLU A 24 -9.999 12.033 -10.294 1.00 0.00 O ATOM 376 CB GLU A 24 -10.829 11.473 -7.082 1.00 0.00 C ATOM 377 CG GLU A 24 -12.110 10.771 -7.496 1.00 0.00 C ATOM 378 CD GLU A 24 -12.004 9.264 -7.368 1.00 0.00 C ATOM 379 OE1 GLU A 24 -12.322 8.733 -6.283 1.00 0.00 O ATOM 380 OE2 GLU A 24 -11.603 8.599 -8.348 1.00 0.00 O ATOM 0 H GLU A 24 -8.490 11.491 -6.342 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.768 10.270 -8.520 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.537 11.124 -6.091 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.021 12.543 -6.999 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -12.934 11.129 -6.879 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.348 11.031 -8.528 1.00 0.00 H new ATOM 387 N LYS A 25 -9.363 13.550 -8.759 1.00 0.00 N ATOM 388 CA LYS A 25 -9.396 14.678 -9.692 1.00 0.00 C ATOM 389 C LYS A 25 -8.323 14.540 -10.769 1.00 0.00 C ATOM 390 O LYS A 25 -8.495 15.011 -11.894 1.00 0.00 O ATOM 391 CB LYS A 25 -9.219 16.000 -8.943 1.00 0.00 C ATOM 392 CG LYS A 25 -10.353 16.303 -7.975 1.00 0.00 C ATOM 393 CD LYS A 25 -10.180 17.659 -7.311 1.00 0.00 C ATOM 394 CE LYS A 25 -10.219 18.789 -8.327 1.00 0.00 C ATOM 395 NZ LYS A 25 -10.088 20.123 -7.681 1.00 0.00 N ATOM 0 H LYS A 25 -9.069 13.795 -7.813 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.371 14.674 -10.180 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.279 15.974 -8.392 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.142 16.812 -9.667 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.303 16.278 -8.509 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.396 15.527 -7.211 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.968 17.806 -6.572 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.231 17.684 -6.775 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.414 18.655 -9.049 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.156 18.745 -8.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.119 20.866 -8.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.870 20.262 -7.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.182 20.175 -7.172 1.00 0.00 H new ATOM 409 N HIS A 26 -7.221 13.886 -10.425 1.00 0.00 N ATOM 410 CA HIS A 26 -6.144 13.655 -11.381 1.00 0.00 C ATOM 411 C HIS A 26 -6.437 12.438 -12.252 1.00 0.00 C ATOM 412 O HIS A 26 -5.673 12.133 -13.168 1.00 0.00 O ATOM 413 CB HIS A 26 -4.804 13.465 -10.665 1.00 0.00 C ATOM 414 CG HIS A 26 -4.055 14.741 -10.422 1.00 0.00 C ATOM 415 ND1 HIS A 26 -2.912 15.075 -11.113 1.00 0.00 N ATOM 416 CD2 HIS A 26 -4.270 15.753 -9.546 1.00 0.00 C ATOM 417 CE1 HIS A 26 -2.454 16.232 -10.673 1.00 0.00 C ATOM 418 NE2 HIS A 26 -3.258 16.666 -9.721 1.00 0.00 N ATOM 0 H HIS A 26 -7.049 13.507 -9.494 1.00 0.00 H new ATOM 0 HA HIS A 26 -6.080 14.537 -12.018 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -4.981 12.972 -9.709 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -4.179 12.796 -11.257 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -5.085 15.828 -8.841 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -1.570 16.738 -11.032 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -3.147 17.536 -9.201 1.00 0.00 H new ATOM 427 N ALA A 27 -7.546 11.756 -11.957 1.00 0.00 N ATOM 428 CA ALA A 27 -7.939 10.547 -12.680 1.00 0.00 C ATOM 429 C ALA A 27 -6.806 9.529 -12.664 1.00 0.00 C ATOM 430 O ALA A 27 -6.465 8.935 -13.689 1.00 0.00 O ATOM 431 CB ALA A 27 -8.349 10.885 -14.110 1.00 0.00 C ATOM 0 H ALA A 27 -8.192 12.025 -11.215 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.801 10.107 -12.179 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.638 9.972 -14.631 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.192 11.576 -14.093 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.510 11.349 -14.629 1.00 0.00 H new ATOM 437 N ALA A 28 -6.221 9.340 -11.487 1.00 0.00 N ATOM 438 CA ALA A 28 -5.090 8.443 -11.326 1.00 0.00 C ATOM 439 C ALA A 28 -5.501 6.997 -11.572 1.00 0.00 C ATOM 440 O ALA A 28 -6.345 6.449 -10.861 1.00 0.00 O ATOM 441 CB ALA A 28 -4.483 8.598 -9.941 1.00 0.00 C ATOM 0 H ALA A 28 -6.516 9.801 -10.626 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.337 8.710 -12.067 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.637 7.919 -9.837 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.143 9.625 -9.805 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.233 8.362 -9.186 1.00 0.00 H new ATOM 447 N SER A 29 -4.905 6.393 -12.592 1.00 0.00 N ATOM 448 CA SER A 29 -5.171 5.004 -12.935 1.00 0.00 C ATOM 449 C SER A 29 -4.858 4.087 -11.750 1.00 0.00 C ATOM 450 O SER A 29 -4.028 4.426 -10.908 1.00 0.00 O ATOM 451 CB SER A 29 -4.322 4.615 -14.144 1.00 0.00 C ATOM 452 OG SER A 29 -4.441 5.581 -15.172 1.00 0.00 O ATOM 0 H SER A 29 -4.227 6.850 -13.202 1.00 0.00 H new ATOM 0 HA SER A 29 -6.227 4.891 -13.180 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.278 4.521 -13.846 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.636 3.640 -14.516 1.00 0.00 H new ATOM 0 HG SER A 29 -3.889 5.315 -15.937 1.00 0.00 H new ATOM 458 N PRO A 30 -5.525 2.923 -11.661 1.00 0.00 N ATOM 459 CA PRO A 30 -5.313 1.967 -10.566 1.00 0.00 C ATOM 460 C PRO A 30 -3.841 1.607 -10.369 1.00 0.00 C ATOM 461 O PRO A 30 -3.343 1.636 -9.243 1.00 0.00 O ATOM 462 CB PRO A 30 -6.110 0.740 -11.002 1.00 0.00 C ATOM 463 CG PRO A 30 -7.165 1.277 -11.905 1.00 0.00 C ATOM 464 CD PRO A 30 -6.545 2.445 -12.616 1.00 0.00 C ATOM 0 HA PRO A 30 -5.628 2.380 -9.608 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.476 0.019 -11.518 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -6.546 0.226 -10.145 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.495 0.518 -12.615 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.043 1.586 -11.338 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.099 2.147 -13.565 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.281 3.217 -12.838 1.00 0.00 H new ATOM 472 N GLU A 31 -3.147 1.286 -11.463 1.00 0.00 N ATOM 473 CA GLU A 31 -1.718 0.975 -11.404 1.00 0.00 C ATOM 474 C GLU A 31 -0.952 2.146 -10.797 1.00 0.00 C ATOM 475 O GLU A 31 -0.127 1.968 -9.906 1.00 0.00 O ATOM 476 CB GLU A 31 -1.168 0.676 -12.802 1.00 0.00 C ATOM 477 CG GLU A 31 -1.681 -0.614 -13.428 1.00 0.00 C ATOM 478 CD GLU A 31 -1.032 -1.858 -12.851 1.00 0.00 C ATOM 479 OE1 GLU A 31 0.203 -2.000 -12.964 1.00 0.00 O ATOM 480 OE2 GLU A 31 -1.759 -2.710 -12.304 1.00 0.00 O ATOM 0 H GLU A 31 -3.551 1.235 -12.398 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.588 0.091 -10.779 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.418 1.508 -13.461 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.080 0.629 -12.747 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.760 -0.675 -13.285 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.503 -0.584 -14.503 1.00 0.00 H new ATOM 487 N LEU A 32 -1.259 3.348 -11.274 1.00 0.00 N ATOM 488 CA LEU A 32 -0.605 4.562 -10.797 1.00 0.00 C ATOM 489 C LEU A 32 -0.915 4.799 -9.324 1.00 0.00 C ATOM 490 O LEU A 32 -0.010 4.992 -8.516 1.00 0.00 O ATOM 491 CB LEU A 32 -1.059 5.767 -11.628 1.00 0.00 C ATOM 492 CG LEU A 32 -0.514 7.125 -11.171 1.00 0.00 C ATOM 493 CD1 LEU A 32 1.001 7.168 -11.294 1.00 0.00 C ATOM 494 CD2 LEU A 32 -1.144 8.254 -11.972 1.00 0.00 C ATOM 0 H LEU A 32 -1.962 3.508 -11.996 1.00 0.00 H new ATOM 0 HA LEU A 32 0.472 4.437 -10.908 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.761 5.605 -12.664 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.148 5.808 -11.612 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.777 7.259 -10.122 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.365 8.141 -10.964 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.439 6.387 -10.673 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.286 7.007 -12.334 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.744 9.209 -11.632 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.916 8.121 -13.030 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.225 8.242 -11.829 1.00 0.00 H new ATOM 506 N THR A 33 -2.199 4.770 -8.991 1.00 0.00 N ATOM 507 CA THR A 33 -2.663 4.963 -7.625 1.00 0.00 C ATOM 508 C THR A 33 -1.982 3.994 -6.658 1.00 0.00 C ATOM 509 O THR A 33 -1.459 4.394 -5.615 1.00 0.00 O ATOM 510 CB THR A 33 -4.191 4.764 -7.553 1.00 0.00 C ATOM 511 OG1 THR A 33 -4.858 5.806 -8.276 1.00 0.00 O ATOM 512 CG2 THR A 33 -4.682 4.735 -6.114 1.00 0.00 C ATOM 0 H THR A 33 -2.949 4.611 -9.663 1.00 0.00 H new ATOM 0 HA THR A 33 -2.406 5.980 -7.330 1.00 0.00 H new ATOM 0 HB THR A 33 -4.424 3.801 -8.007 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.796 5.628 -9.238 1.00 0.00 H new ATOM 0 HG21 THR A 33 -5.763 4.593 -6.101 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.202 3.913 -5.582 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.434 5.677 -5.626 1.00 0.00 H new ATOM 520 N LEU A 34 -1.982 2.724 -7.023 1.00 0.00 N ATOM 521 CA LEU A 34 -1.450 1.686 -6.163 1.00 0.00 C ATOM 522 C LEU A 34 0.078 1.748 -6.117 1.00 0.00 C ATOM 523 O LEU A 34 0.691 1.428 -5.097 1.00 0.00 O ATOM 524 CB LEU A 34 -1.955 0.323 -6.645 1.00 0.00 C ATOM 525 CG LEU A 34 -1.604 -0.860 -5.752 1.00 0.00 C ATOM 526 CD1 LEU A 34 -2.778 -1.822 -5.663 1.00 0.00 C ATOM 527 CD2 LEU A 34 -0.381 -1.579 -6.294 1.00 0.00 C ATOM 0 H LEU A 34 -2.347 2.387 -7.914 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.801 1.841 -5.143 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.039 0.371 -6.745 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.551 0.137 -7.640 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.381 -0.488 -4.752 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.512 -2.662 -5.022 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.641 -1.305 -5.244 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.023 -2.190 -6.659 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.139 -2.423 -5.648 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.588 -1.941 -7.301 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.463 -0.890 -6.322 1.00 0.00 H new ATOM 539 N MET A 35 0.689 2.186 -7.214 1.00 0.00 N ATOM 540 CA MET A 35 2.136 2.384 -7.253 1.00 0.00 C ATOM 541 C MET A 35 2.531 3.527 -6.324 1.00 0.00 C ATOM 542 O MET A 35 3.578 3.482 -5.681 1.00 0.00 O ATOM 543 CB MET A 35 2.612 2.656 -8.686 1.00 0.00 C ATOM 544 CG MET A 35 4.119 2.844 -8.817 1.00 0.00 C ATOM 545 SD MET A 35 4.640 4.565 -8.679 1.00 0.00 S ATOM 546 CE MET A 35 3.926 5.237 -10.176 1.00 0.00 C ATOM 0 H MET A 35 0.208 2.410 -8.085 1.00 0.00 H new ATOM 0 HA MET A 35 2.622 1.471 -6.909 1.00 0.00 H new ATOM 0 HB2 MET A 35 2.303 1.827 -9.323 1.00 0.00 H new ATOM 0 HB3 MET A 35 2.112 3.549 -9.060 1.00 0.00 H new ATOM 0 HG2 MET A 35 4.619 2.258 -8.046 1.00 0.00 H new ATOM 0 HG3 MET A 35 4.445 2.449 -9.779 1.00 0.00 H new ATOM 0 HE1 MET A 35 3.483 6.210 -9.963 1.00 0.00 H new ATOM 0 HE2 MET A 35 4.704 5.350 -10.931 1.00 0.00 H new ATOM 0 HE3 MET A 35 3.156 4.561 -10.547 1.00 0.00 H new ATOM 556 N ILE A 36 1.679 4.543 -6.251 1.00 0.00 N ATOM 557 CA ILE A 36 1.874 5.648 -5.320 1.00 0.00 C ATOM 558 C ILE A 36 1.875 5.135 -3.881 1.00 0.00 C ATOM 559 O ILE A 36 2.707 5.540 -3.068 1.00 0.00 O ATOM 560 CB ILE A 36 0.787 6.734 -5.507 1.00 0.00 C ATOM 561 CG1 ILE A 36 1.049 7.500 -6.808 1.00 0.00 C ATOM 562 CG2 ILE A 36 0.732 7.680 -4.311 1.00 0.00 C ATOM 563 CD1 ILE A 36 0.053 8.603 -7.083 1.00 0.00 C ATOM 0 H ILE A 36 0.842 4.624 -6.829 1.00 0.00 H new ATOM 0 HA ILE A 36 2.842 6.102 -5.532 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.186 6.248 -5.572 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.050 7.930 -6.769 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.036 6.797 -7.641 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.042 8.430 -4.476 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.502 7.113 -3.409 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.697 8.174 -4.193 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.307 9.097 -8.021 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.949 8.179 -7.156 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.081 9.330 -6.271 1.00 0.00 H new ATOM 575 N ALA A 37 0.958 4.219 -3.583 1.00 0.00 N ATOM 576 CA ALA A 37 0.916 3.579 -2.272 1.00 0.00 C ATOM 577 C ALA A 37 2.220 2.832 -2.003 1.00 0.00 C ATOM 578 O ALA A 37 2.750 2.858 -0.891 1.00 0.00 O ATOM 579 CB ALA A 37 -0.270 2.629 -2.179 1.00 0.00 C ATOM 0 H ALA A 37 0.235 3.904 -4.230 1.00 0.00 H new ATOM 0 HA ALA A 37 0.797 4.353 -1.514 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.285 2.161 -1.195 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.195 3.186 -2.330 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.180 1.859 -2.945 1.00 0.00 H new ATOM 585 N GLY A 38 2.736 2.179 -3.040 1.00 0.00 N ATOM 586 CA GLY A 38 4.008 1.488 -2.938 1.00 0.00 C ATOM 587 C GLY A 38 5.162 2.443 -2.747 1.00 0.00 C ATOM 588 O GLY A 38 6.087 2.164 -1.986 1.00 0.00 O ATOM 0 H GLY A 38 2.291 2.116 -3.956 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.974 0.790 -2.102 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.172 0.898 -3.840 1.00 0.00 H new ATOM 592 N ASN A 39 5.102 3.570 -3.443 1.00 0.00 N ATOM 593 CA ASN A 39 6.128 4.598 -3.340 1.00 0.00 C ATOM 594 C ASN A 39 6.238 5.073 -1.895 1.00 0.00 C ATOM 595 O ASN A 39 7.339 5.223 -1.358 1.00 0.00 O ATOM 596 CB ASN A 39 5.786 5.780 -4.251 1.00 0.00 C ATOM 597 CG ASN A 39 7.020 6.461 -4.813 1.00 0.00 C ATOM 598 OD1 ASN A 39 7.656 7.276 -4.146 1.00 0.00 O ATOM 599 ND2 ASN A 39 7.344 6.157 -6.063 1.00 0.00 N ATOM 0 H ASN A 39 4.347 3.796 -4.090 1.00 0.00 H new ATOM 0 HA ASN A 39 7.083 4.177 -3.654 1.00 0.00 H new ATOM 0 HB2 ASN A 39 5.162 5.431 -5.074 1.00 0.00 H new ATOM 0 HB3 ASN A 39 5.198 6.507 -3.691 1.00 0.00 H new ATOM 0 HD21 ASN A 39 8.147 6.605 -6.505 1.00 0.00 H new ATOM 0 HD22 ASN A 39 6.790 5.475 -6.582 1.00 0.00 H new ATOM 606 N ILE A 40 5.079 5.287 -1.272 1.00 0.00 N ATOM 607 CA ILE A 40 5.014 5.660 0.134 1.00 0.00 C ATOM 608 C ILE A 40 5.679 4.592 0.999 1.00 0.00 C ATOM 609 O ILE A 40 6.624 4.880 1.734 1.00 0.00 O ATOM 610 CB ILE A 40 3.552 5.851 0.607 1.00 0.00 C ATOM 611 CG1 ILE A 40 2.864 6.959 -0.195 1.00 0.00 C ATOM 612 CG2 ILE A 40 3.512 6.167 2.096 1.00 0.00 C ATOM 613 CD1 ILE A 40 1.396 7.121 0.127 1.00 0.00 C ATOM 0 H ILE A 40 4.169 5.207 -1.726 1.00 0.00 H new ATOM 0 HA ILE A 40 5.542 6.608 0.241 1.00 0.00 H new ATOM 0 HB ILE A 40 3.012 4.920 0.436 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.375 7.903 -0.005 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.972 6.746 -1.259 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.477 6.298 2.412 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.961 5.346 2.654 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.069 7.084 2.289 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.977 7.924 -0.480 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.871 6.191 -0.090 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.280 7.366 1.183 1.00 0.00 H new ATOM 625 N ALA A 41 5.192 3.352 0.884 1.00 0.00 N ATOM 626 CA ALA A 41 5.702 2.243 1.680 1.00 0.00 C ATOM 627 C ALA A 41 7.208 2.091 1.518 1.00 0.00 C ATOM 628 O ALA A 41 7.933 1.981 2.505 1.00 0.00 O ATOM 629 CB ALA A 41 4.997 0.951 1.295 1.00 0.00 C ATOM 0 H ALA A 41 4.442 3.096 0.243 1.00 0.00 H new ATOM 0 HA ALA A 41 5.498 2.461 2.728 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.387 0.130 1.897 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.926 1.054 1.472 1.00 0.00 H new ATOM 0 HB3 ALA A 41 5.172 0.742 0.240 1.00 0.00 H new ATOM 635 N THR A 42 7.670 2.111 0.272 1.00 0.00 N ATOM 636 CA THR A 42 9.088 1.966 -0.028 1.00 0.00 C ATOM 637 C THR A 42 9.915 3.002 0.727 1.00 0.00 C ATOM 638 O THR A 42 10.816 2.653 1.487 1.00 0.00 O ATOM 639 CB THR A 42 9.357 2.107 -1.543 1.00 0.00 C ATOM 640 OG1 THR A 42 8.554 1.172 -2.273 1.00 0.00 O ATOM 641 CG2 THR A 42 10.827 1.872 -1.867 1.00 0.00 C ATOM 0 H THR A 42 7.078 2.227 -0.550 1.00 0.00 H new ATOM 0 HA THR A 42 9.383 0.967 0.293 1.00 0.00 H new ATOM 0 HB THR A 42 9.096 3.124 -1.835 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.633 1.503 -2.325 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.984 1.978 -2.940 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.438 2.603 -1.337 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.112 0.867 -1.556 1.00 0.00 H new ATOM 649 N ASN A 43 9.584 4.274 0.547 1.00 0.00 N ATOM 650 CA ASN A 43 10.362 5.351 1.144 1.00 0.00 C ATOM 651 C ASN A 43 10.328 5.274 2.668 1.00 0.00 C ATOM 652 O ASN A 43 11.347 5.481 3.330 1.00 0.00 O ATOM 653 CB ASN A 43 9.840 6.712 0.679 1.00 0.00 C ATOM 654 CG ASN A 43 10.702 7.865 1.161 1.00 0.00 C ATOM 655 OD1 ASN A 43 10.516 8.384 2.263 1.00 0.00 O ATOM 656 ND2 ASN A 43 11.642 8.283 0.326 1.00 0.00 N ATOM 0 H ASN A 43 8.785 4.584 -0.006 1.00 0.00 H new ATOM 0 HA ASN A 43 11.395 5.236 0.816 1.00 0.00 H new ATOM 0 HB2 ASN A 43 9.796 6.727 -0.410 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.821 6.849 1.041 1.00 0.00 H new ATOM 0 HD21 ASN A 43 12.245 9.063 0.587 1.00 0.00 H new ATOM 0 HD22 ASN A 43 11.762 7.825 -0.577 1.00 0.00 H new ATOM 663 N VAL A 44 9.158 4.963 3.219 1.00 0.00 N ATOM 664 CA VAL A 44 8.999 4.859 4.664 1.00 0.00 C ATOM 665 C VAL A 44 9.814 3.692 5.217 1.00 0.00 C ATOM 666 O VAL A 44 10.464 3.814 6.255 1.00 0.00 O ATOM 667 CB VAL A 44 7.515 4.695 5.068 1.00 0.00 C ATOM 668 CG1 VAL A 44 7.372 4.495 6.571 1.00 0.00 C ATOM 669 CG2 VAL A 44 6.705 5.901 4.620 1.00 0.00 C ATOM 0 H VAL A 44 8.308 4.779 2.686 1.00 0.00 H new ATOM 0 HA VAL A 44 9.368 5.790 5.093 1.00 0.00 H new ATOM 0 HB VAL A 44 7.130 3.806 4.569 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.318 4.383 6.824 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.915 3.599 6.872 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.781 5.360 7.094 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.663 5.769 4.912 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.102 6.801 5.090 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.768 5.999 3.536 1.00 0.00 H new ATOM 679 N LEU A 45 9.790 2.566 4.520 1.00 0.00 N ATOM 680 CA LEU A 45 10.562 1.406 4.941 1.00 0.00 C ATOM 681 C LEU A 45 12.059 1.689 4.837 1.00 0.00 C ATOM 682 O LEU A 45 12.826 1.398 5.755 1.00 0.00 O ATOM 683 CB LEU A 45 10.205 0.176 4.099 1.00 0.00 C ATOM 684 CG LEU A 45 8.773 -0.338 4.268 1.00 0.00 C ATOM 685 CD1 LEU A 45 8.484 -1.459 3.281 1.00 0.00 C ATOM 686 CD2 LEU A 45 8.547 -0.814 5.691 1.00 0.00 C ATOM 0 H LEU A 45 9.249 2.431 3.666 1.00 0.00 H new ATOM 0 HA LEU A 45 10.313 1.200 5.982 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.366 0.416 3.048 1.00 0.00 H new ATOM 0 HB3 LEU A 45 10.895 -0.629 4.351 1.00 0.00 H new ATOM 0 HG LEU A 45 8.087 0.484 4.063 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.461 -1.810 3.418 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.607 -1.089 2.263 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.176 -2.283 3.453 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.524 -1.176 5.795 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.243 -1.621 5.920 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.711 0.013 6.382 1.00 0.00 H new ATOM 698 N ASN A 46 12.455 2.280 3.720 1.00 0.00 N ATOM 699 CA ASN A 46 13.861 2.527 3.422 1.00 0.00 C ATOM 700 C ASN A 46 14.474 3.584 4.340 1.00 0.00 C ATOM 701 O ASN A 46 15.567 3.388 4.872 1.00 0.00 O ATOM 702 CB ASN A 46 14.020 2.964 1.959 1.00 0.00 C ATOM 703 CG ASN A 46 13.715 1.849 0.967 1.00 0.00 C ATOM 704 OD1 ASN A 46 13.050 0.865 1.293 1.00 0.00 O ATOM 705 ND2 ASN A 46 14.190 2.003 -0.257 1.00 0.00 N ATOM 0 H ASN A 46 11.814 2.602 2.995 1.00 0.00 H new ATOM 0 HA ASN A 46 14.394 1.592 3.594 1.00 0.00 H new ATOM 0 HB2 ASN A 46 13.358 3.807 1.764 1.00 0.00 H new ATOM 0 HB3 ASN A 46 15.039 3.316 1.800 1.00 0.00 H new ATOM 0 HD21 ASN A 46 14.009 1.293 -0.967 1.00 0.00 H new ATOM 0 HD22 ASN A 46 14.737 2.831 -0.491 1.00 0.00 H new ATOM 712 N GLN A 47 13.771 4.698 4.539 1.00 0.00 N ATOM 713 CA GLN A 47 14.374 5.854 5.200 1.00 0.00 C ATOM 714 C GLN A 47 13.534 6.380 6.361 1.00 0.00 C ATOM 715 O GLN A 47 13.536 7.583 6.626 1.00 0.00 O ATOM 716 CB GLN A 47 14.578 6.983 4.186 1.00 0.00 C ATOM 717 CG GLN A 47 15.506 6.628 3.038 1.00 0.00 C ATOM 718 CD GLN A 47 15.659 7.769 2.053 1.00 0.00 C ATOM 719 OE1 GLN A 47 16.549 8.610 2.194 1.00 0.00 O ATOM 720 NE2 GLN A 47 14.792 7.812 1.051 1.00 0.00 N ATOM 0 H GLN A 47 12.799 4.824 4.257 1.00 0.00 H new ATOM 0 HA GLN A 47 15.328 5.519 5.607 1.00 0.00 H new ATOM 0 HB2 GLN A 47 13.608 7.270 3.779 1.00 0.00 H new ATOM 0 HB3 GLN A 47 14.977 7.855 4.705 1.00 0.00 H new ATOM 0 HG2 GLN A 47 16.485 6.358 3.434 1.00 0.00 H new ATOM 0 HG3 GLN A 47 15.120 5.751 2.519 1.00 0.00 H new ATOM 0 HE21 GLN A 47 14.070 7.096 0.970 1.00 0.00 H new ATOM 0 HE22 GLN A 47 14.847 8.561 0.361 1.00 0.00 H new ATOM 729 N ARG A 48 12.827 5.506 7.061 1.00 0.00 N ATOM 730 CA ARG A 48 12.045 5.946 8.215 1.00 0.00 C ATOM 731 C ARG A 48 11.880 4.839 9.251 1.00 0.00 C ATOM 732 O ARG A 48 12.091 5.059 10.443 1.00 0.00 O ATOM 733 CB ARG A 48 10.674 6.468 7.771 1.00 0.00 C ATOM 734 CG ARG A 48 10.488 7.955 8.021 1.00 0.00 C ATOM 735 CD ARG A 48 9.187 8.472 7.426 1.00 0.00 C ATOM 736 NE ARG A 48 9.243 8.538 5.964 1.00 0.00 N ATOM 737 CZ ARG A 48 8.348 9.177 5.212 1.00 0.00 C ATOM 738 NH1 ARG A 48 7.293 9.759 5.775 1.00 0.00 N ATOM 739 NH2 ARG A 48 8.502 9.238 3.893 1.00 0.00 N ATOM 0 H ARG A 48 12.776 4.507 6.860 1.00 0.00 H new ATOM 0 HA ARG A 48 12.598 6.758 8.688 1.00 0.00 H new ATOM 0 HB2 ARG A 48 10.543 6.266 6.708 1.00 0.00 H new ATOM 0 HB3 ARG A 48 9.895 5.918 8.299 1.00 0.00 H new ATOM 0 HG2 ARG A 48 10.498 8.147 9.094 1.00 0.00 H new ATOM 0 HG3 ARG A 48 11.327 8.503 7.592 1.00 0.00 H new ATOM 0 HD2 ARG A 48 8.366 7.822 7.729 1.00 0.00 H new ATOM 0 HD3 ARG A 48 8.973 9.463 7.826 1.00 0.00 H new ATOM 0 HE ARG A 48 10.015 8.066 5.493 1.00 0.00 H new ATOM 0 HH11 ARG A 48 7.167 9.717 6.786 1.00 0.00 H new ATOM 0 HH12 ARG A 48 6.610 10.247 5.196 1.00 0.00 H new ATOM 0 HH21 ARG A 48 9.308 8.794 3.453 1.00 0.00 H new ATOM 0 HH22 ARG A 48 7.814 9.728 3.321 1.00 0.00 H new ATOM 753 N VAL A 49 11.499 3.654 8.806 1.00 0.00 N ATOM 754 CA VAL A 49 11.282 2.546 9.726 1.00 0.00 C ATOM 755 C VAL A 49 12.612 1.888 10.092 1.00 0.00 C ATOM 756 O VAL A 49 13.579 1.947 9.322 1.00 0.00 O ATOM 757 CB VAL A 49 10.312 1.486 9.142 1.00 0.00 C ATOM 758 CG1 VAL A 49 11.026 0.537 8.195 1.00 0.00 C ATOM 759 CG2 VAL A 49 9.621 0.716 10.255 1.00 0.00 C ATOM 0 H VAL A 49 11.334 3.433 7.824 1.00 0.00 H new ATOM 0 HA VAL A 49 10.822 2.959 10.624 1.00 0.00 H new ATOM 0 HB VAL A 49 9.553 2.017 8.567 1.00 0.00 H new ATOM 0 HG11 VAL A 49 10.315 -0.192 7.805 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.455 1.103 7.368 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.821 0.018 8.731 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.946 -0.022 9.822 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.369 0.209 10.865 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.052 1.407 10.877 1.00 0.00 H new ATOM 769 N ALA A 50 12.659 1.286 11.273 1.00 0.00 N ATOM 770 CA ALA A 50 13.850 0.588 11.733 1.00 0.00 C ATOM 771 C ALA A 50 14.144 -0.611 10.841 1.00 0.00 C ATOM 772 O ALA A 50 13.227 -1.308 10.426 1.00 0.00 O ATOM 773 CB ALA A 50 13.671 0.142 13.176 1.00 0.00 C ATOM 0 H ALA A 50 11.881 1.268 11.932 1.00 0.00 H new ATOM 0 HA ALA A 50 14.697 1.272 11.679 1.00 0.00 H new ATOM 0 HB1 ALA A 50 14.568 -0.379 13.510 1.00 0.00 H new ATOM 0 HB2 ALA A 50 13.502 1.014 13.808 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.815 -0.529 13.246 1.00 0.00 H new ATOM 779 N ALA A 51 15.415 -0.838 10.538 1.00 0.00 N ATOM 780 CA ALA A 51 15.828 -1.989 9.741 1.00 0.00 C ATOM 781 C ALA A 51 15.421 -3.292 10.420 1.00 0.00 C ATOM 782 O ALA A 51 15.025 -4.252 9.760 1.00 0.00 O ATOM 783 CB ALA A 51 17.330 -1.961 9.504 1.00 0.00 C ATOM 0 H ALA A 51 16.184 -0.237 10.834 1.00 0.00 H new ATOM 0 HA ALA A 51 15.323 -1.934 8.777 1.00 0.00 H new ATOM 0 HB1 ALA A 51 17.621 -2.826 8.908 1.00 0.00 H new ATOM 0 HB2 ALA A 51 17.597 -1.048 8.972 1.00 0.00 H new ATOM 0 HB3 ALA A 51 17.850 -1.989 10.462 1.00 0.00 H new ATOM 789 N SER A 52 15.499 -3.305 11.747 1.00 0.00 N ATOM 790 CA SER A 52 15.095 -4.463 12.535 1.00 0.00 C ATOM 791 C SER A 52 13.583 -4.680 12.426 1.00 0.00 C ATOM 792 O SER A 52 13.084 -5.789 12.613 1.00 0.00 O ATOM 793 CB SER A 52 15.497 -4.252 14.003 1.00 0.00 C ATOM 794 OG SER A 52 15.442 -5.463 14.742 1.00 0.00 O ATOM 0 H SER A 52 15.841 -2.520 12.302 1.00 0.00 H new ATOM 0 HA SER A 52 15.598 -5.350 12.149 1.00 0.00 H new ATOM 0 HB2 SER A 52 16.506 -3.843 14.049 1.00 0.00 H new ATOM 0 HB3 SER A 52 14.835 -3.517 14.460 1.00 0.00 H new ATOM 0 HG SER A 52 15.705 -5.292 15.670 1.00 0.00 H new ATOM 800 N GLN A 53 12.865 -3.609 12.108 1.00 0.00 N ATOM 801 CA GLN A 53 11.413 -3.654 12.008 1.00 0.00 C ATOM 802 C GLN A 53 10.985 -3.836 10.558 1.00 0.00 C ATOM 803 O GLN A 53 9.893 -4.310 10.280 1.00 0.00 O ATOM 804 CB GLN A 53 10.811 -2.349 12.544 1.00 0.00 C ATOM 805 CG GLN A 53 9.337 -2.457 12.900 1.00 0.00 C ATOM 806 CD GLN A 53 9.081 -3.502 13.966 1.00 0.00 C ATOM 807 OE1 GLN A 53 8.815 -4.664 13.665 1.00 0.00 O ATOM 808 NE2 GLN A 53 9.190 -3.097 15.221 1.00 0.00 N ATOM 0 H GLN A 53 13.270 -2.693 11.914 1.00 0.00 H new ATOM 0 HA GLN A 53 11.055 -4.497 12.599 1.00 0.00 H new ATOM 0 HB2 GLN A 53 11.368 -2.039 13.428 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.939 -1.566 11.796 1.00 0.00 H new ATOM 0 HG2 GLN A 53 8.977 -1.489 13.249 1.00 0.00 H new ATOM 0 HG3 GLN A 53 8.766 -2.706 12.005 1.00 0.00 H new ATOM 0 HE21 GLN A 53 9.412 -2.123 15.425 1.00 0.00 H new ATOM 0 HE22 GLN A 53 9.052 -3.759 15.984 1.00 0.00 H new ATOM 817 N ARG A 54 11.885 -3.479 9.653 1.00 0.00 N ATOM 818 CA ARG A 54 11.584 -3.335 8.230 1.00 0.00 C ATOM 819 C ARG A 54 10.902 -4.568 7.639 1.00 0.00 C ATOM 820 O ARG A 54 9.864 -4.456 6.990 1.00 0.00 O ATOM 821 CB ARG A 54 12.880 -3.022 7.480 1.00 0.00 C ATOM 822 CG ARG A 54 12.686 -2.654 6.021 1.00 0.00 C ATOM 823 CD ARG A 54 13.963 -2.074 5.437 1.00 0.00 C ATOM 824 NE ARG A 54 14.359 -0.842 6.123 1.00 0.00 N ATOM 825 CZ ARG A 54 15.618 -0.429 6.270 1.00 0.00 C ATOM 826 NH1 ARG A 54 16.622 -1.128 5.753 1.00 0.00 N ATOM 827 NH2 ARG A 54 15.867 0.699 6.928 1.00 0.00 N ATOM 0 H ARG A 54 12.858 -3.278 9.886 1.00 0.00 H new ATOM 0 HA ARG A 54 10.874 -2.515 8.117 1.00 0.00 H new ATOM 0 HB2 ARG A 54 13.388 -2.201 7.985 1.00 0.00 H new ATOM 0 HB3 ARG A 54 13.538 -3.889 7.539 1.00 0.00 H new ATOM 0 HG2 ARG A 54 12.390 -3.537 5.455 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.877 -1.930 5.928 1.00 0.00 H new ATOM 0 HD2 ARG A 54 14.765 -2.808 5.514 1.00 0.00 H new ATOM 0 HD3 ARG A 54 13.819 -1.870 4.376 1.00 0.00 H new ATOM 0 HE ARG A 54 13.620 -0.259 6.516 1.00 0.00 H new ATOM 0 HH11 ARG A 54 16.433 -1.988 5.239 1.00 0.00 H new ATOM 0 HH12 ARG A 54 17.582 -0.805 5.870 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.097 1.243 7.317 1.00 0.00 H new ATOM 0 HH22 ARG A 54 16.828 1.020 7.044 1.00 0.00 H new ATOM 841 N LYS A 55 11.471 -5.740 7.875 1.00 0.00 N ATOM 842 CA LYS A 55 10.930 -6.964 7.301 1.00 0.00 C ATOM 843 C LYS A 55 9.615 -7.336 7.985 1.00 0.00 C ATOM 844 O LYS A 55 8.652 -7.724 7.330 1.00 0.00 O ATOM 845 CB LYS A 55 11.947 -8.104 7.433 1.00 0.00 C ATOM 846 CG LYS A 55 11.964 -9.068 6.251 1.00 0.00 C ATOM 847 CD LYS A 55 10.671 -9.862 6.124 1.00 0.00 C ATOM 848 CE LYS A 55 10.708 -10.800 4.924 1.00 0.00 C ATOM 849 NZ LYS A 55 9.480 -11.627 4.825 1.00 0.00 N ATOM 0 H LYS A 55 12.300 -5.870 8.455 1.00 0.00 H new ATOM 0 HA LYS A 55 10.731 -6.797 6.242 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.942 -7.676 7.552 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.731 -8.665 8.342 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.133 -8.507 5.332 1.00 0.00 H new ATOM 0 HG3 LYS A 55 12.800 -9.758 6.362 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.506 -10.439 7.034 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.830 -9.176 6.025 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.826 -10.216 4.011 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.578 -11.452 5.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.569 -12.286 4.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.353 -12.166 5.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.657 -11.009 4.675 1.00 0.00 H new ATOM 863 N LEU A 56 9.577 -7.173 9.301 1.00 0.00 N ATOM 864 CA LEU A 56 8.416 -7.561 10.095 1.00 0.00 C ATOM 865 C LEU A 56 7.226 -6.653 9.782 1.00 0.00 C ATOM 866 O LEU A 56 6.099 -7.121 9.611 1.00 0.00 O ATOM 867 CB LEU A 56 8.773 -7.497 11.592 1.00 0.00 C ATOM 868 CG LEU A 56 7.846 -8.263 12.550 1.00 0.00 C ATOM 869 CD1 LEU A 56 8.544 -8.484 13.883 1.00 0.00 C ATOM 870 CD2 LEU A 56 6.544 -7.508 12.775 1.00 0.00 C ATOM 0 H LEU A 56 10.341 -6.772 9.845 1.00 0.00 H new ATOM 0 HA LEU A 56 8.133 -8.583 9.842 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.786 -7.880 11.718 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.788 -6.450 11.895 1.00 0.00 H new ATOM 0 HG LEU A 56 7.612 -9.226 12.095 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.880 -9.027 14.556 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.454 -9.063 13.726 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.799 -7.521 14.325 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.909 -8.074 13.456 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.760 -6.531 13.207 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.030 -7.378 11.823 1.00 0.00 H new ATOM 882 N ILE A 57 7.483 -5.357 9.688 1.00 0.00 N ATOM 883 CA ILE A 57 6.430 -4.387 9.435 1.00 0.00 C ATOM 884 C ILE A 57 5.929 -4.509 7.995 1.00 0.00 C ATOM 885 O ILE A 57 4.778 -4.185 7.699 1.00 0.00 O ATOM 886 CB ILE A 57 6.908 -2.943 9.734 1.00 0.00 C ATOM 887 CG1 ILE A 57 5.727 -1.975 9.792 1.00 0.00 C ATOM 888 CG2 ILE A 57 7.924 -2.472 8.704 1.00 0.00 C ATOM 889 CD1 ILE A 57 6.118 -0.585 10.250 1.00 0.00 C ATOM 0 H ILE A 57 8.415 -4.953 9.784 1.00 0.00 H new ATOM 0 HA ILE A 57 5.602 -4.604 10.110 1.00 0.00 H new ATOM 0 HB ILE A 57 7.393 -2.957 10.710 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.270 -1.910 8.805 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.971 -2.374 10.468 1.00 0.00 H new ATOM 0 HG21 ILE A 57 8.239 -1.456 8.942 1.00 0.00 H new ATOM 0 HG22 ILE A 57 8.790 -3.133 8.719 1.00 0.00 H new ATOM 0 HG23 ILE A 57 7.471 -2.489 7.713 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.235 0.054 10.270 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.549 -0.639 11.250 1.00 0.00 H new ATOM 0 HD13 ILE A 57 6.852 -0.168 9.561 1.00 0.00 H new ATOM 901 N ALA A 58 6.792 -5.008 7.109 1.00 0.00 N ATOM 902 CA ALA A 58 6.398 -5.274 5.730 1.00 0.00 C ATOM 903 C ALA A 58 5.411 -6.437 5.682 1.00 0.00 C ATOM 904 O ALA A 58 4.447 -6.418 4.914 1.00 0.00 O ATOM 905 CB ALA A 58 7.618 -5.568 4.867 1.00 0.00 C ATOM 0 H ALA A 58 7.763 -5.234 7.323 1.00 0.00 H new ATOM 0 HA ALA A 58 5.910 -4.385 5.330 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.301 -5.763 3.843 1.00 0.00 H new ATOM 0 HB2 ALA A 58 8.289 -4.709 4.881 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.139 -6.442 5.259 1.00 0.00 H new ATOM 911 N GLU A 59 5.657 -7.444 6.521 1.00 0.00 N ATOM 912 CA GLU A 59 4.738 -8.569 6.667 1.00 0.00 C ATOM 913 C GLU A 59 3.389 -8.075 7.171 1.00 0.00 C ATOM 914 O GLU A 59 2.340 -8.485 6.675 1.00 0.00 O ATOM 915 CB GLU A 59 5.300 -9.598 7.647 1.00 0.00 C ATOM 916 CG GLU A 59 6.649 -10.170 7.242 1.00 0.00 C ATOM 917 CD GLU A 59 6.583 -10.985 5.969 1.00 0.00 C ATOM 918 OE1 GLU A 59 6.074 -12.125 6.018 1.00 0.00 O ATOM 919 OE2 GLU A 59 7.073 -10.506 4.922 1.00 0.00 O ATOM 0 H GLU A 59 6.488 -7.502 7.110 1.00 0.00 H new ATOM 0 HA GLU A 59 4.614 -9.040 5.692 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.394 -9.135 8.629 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.586 -10.416 7.747 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.359 -9.354 7.109 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.030 -10.796 8.049 1.00 0.00 H new ATOM 926 N LYS A 60 3.433 -7.181 8.156 1.00 0.00 N ATOM 927 CA LYS A 60 2.225 -6.574 8.708 1.00 0.00 C ATOM 928 C LYS A 60 1.440 -5.860 7.616 1.00 0.00 C ATOM 929 O LYS A 60 0.219 -5.980 7.537 1.00 0.00 O ATOM 930 CB LYS A 60 2.585 -5.582 9.815 1.00 0.00 C ATOM 931 CG LYS A 60 3.286 -6.215 11.007 1.00 0.00 C ATOM 932 CD LYS A 60 3.676 -5.174 12.050 1.00 0.00 C ATOM 933 CE LYS A 60 2.462 -4.418 12.567 1.00 0.00 C ATOM 934 NZ LYS A 60 2.814 -3.458 13.647 1.00 0.00 N ATOM 0 H LYS A 60 4.298 -6.860 8.590 1.00 0.00 H new ATOM 0 HA LYS A 60 1.607 -7.367 9.128 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.227 -4.806 9.399 1.00 0.00 H new ATOM 0 HB3 LYS A 60 1.675 -5.092 10.160 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.631 -6.958 11.462 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.178 -6.742 10.667 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.182 -5.664 12.882 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.386 -4.470 11.615 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.994 -3.879 11.743 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.726 -5.129 12.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.956 -2.966 13.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.237 -3.973 14.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.496 -2.762 13.284 1.00 0.00 H new ATOM 948 N PHE A 61 2.161 -5.127 6.775 1.00 0.00 N ATOM 949 CA PHE A 61 1.562 -4.393 5.668 1.00 0.00 C ATOM 950 C PHE A 61 0.838 -5.348 4.719 1.00 0.00 C ATOM 951 O PHE A 61 -0.347 -5.179 4.430 1.00 0.00 O ATOM 952 CB PHE A 61 2.656 -3.622 4.923 1.00 0.00 C ATOM 953 CG PHE A 61 2.161 -2.777 3.787 1.00 0.00 C ATOM 954 CD1 PHE A 61 1.661 -1.509 4.018 1.00 0.00 C ATOM 955 CD2 PHE A 61 2.208 -3.247 2.485 1.00 0.00 C ATOM 956 CE1 PHE A 61 1.218 -0.724 2.974 1.00 0.00 C ATOM 957 CE2 PHE A 61 1.764 -2.466 1.438 1.00 0.00 C ATOM 958 CZ PHE A 61 1.267 -1.203 1.683 1.00 0.00 C ATOM 0 H PHE A 61 3.174 -5.025 6.841 1.00 0.00 H new ATOM 0 HA PHE A 61 0.828 -3.689 6.059 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.179 -2.982 5.633 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.386 -4.334 4.538 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.617 -1.129 5.028 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.596 -4.235 2.287 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.833 0.266 3.168 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.806 -2.843 0.427 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.917 -0.591 0.865 1.00 0.00 H new ATOM 968 N ALA A 62 1.561 -6.359 4.251 1.00 0.00 N ATOM 969 CA ALA A 62 1.002 -7.359 3.355 1.00 0.00 C ATOM 970 C ALA A 62 -0.182 -8.073 4.001 1.00 0.00 C ATOM 971 O ALA A 62 -1.216 -8.281 3.366 1.00 0.00 O ATOM 972 CB ALA A 62 2.077 -8.357 2.951 1.00 0.00 C ATOM 0 H ALA A 62 2.544 -6.506 4.481 1.00 0.00 H new ATOM 0 HA ALA A 62 0.638 -6.855 2.460 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.649 -9.102 2.280 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.887 -7.834 2.443 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.467 -8.852 3.841 1.00 0.00 H new ATOM 978 N GLN A 63 -0.029 -8.435 5.268 1.00 0.00 N ATOM 979 CA GLN A 63 -1.084 -9.120 6.002 1.00 0.00 C ATOM 980 C GLN A 63 -2.337 -8.256 6.100 1.00 0.00 C ATOM 981 O GLN A 63 -3.447 -8.752 5.932 1.00 0.00 O ATOM 982 CB GLN A 63 -0.595 -9.516 7.401 1.00 0.00 C ATOM 983 CG GLN A 63 -1.682 -10.054 8.329 1.00 0.00 C ATOM 984 CD GLN A 63 -2.213 -11.434 7.950 1.00 0.00 C ATOM 985 OE1 GLN A 63 -2.208 -11.762 6.665 1.00 0.00 O flip ATOM 986 NE2 GLN A 63 -2.630 -12.201 8.818 1.00 0.00 N flip ATOM 0 H GLN A 63 0.818 -8.265 5.810 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.342 -10.026 5.453 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.183 -10.272 7.298 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.134 -8.646 7.869 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.287 -10.097 9.344 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.514 -9.349 8.340 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.619 -11.917 9.798 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.986 -13.121 8.558 1.00 0.00 H new ATOM 995 N ALA A 64 -2.156 -6.964 6.357 1.00 0.00 N ATOM 996 CA ALA A 64 -3.280 -6.041 6.455 1.00 0.00 C ATOM 997 C ALA A 64 -4.072 -6.027 5.152 1.00 0.00 C ATOM 998 O ALA A 64 -5.301 -6.116 5.161 1.00 0.00 O ATOM 999 CB ALA A 64 -2.791 -4.642 6.800 1.00 0.00 C ATOM 0 H ALA A 64 -1.242 -6.534 6.501 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.939 -6.381 7.254 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.643 -3.966 6.869 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.267 -4.665 7.756 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.112 -4.292 6.023 1.00 0.00 H new ATOM 1005 N LEU A 65 -3.355 -5.938 4.038 1.00 0.00 N ATOM 1006 CA LEU A 65 -3.971 -5.969 2.715 1.00 0.00 C ATOM 1007 C LEU A 65 -4.765 -7.258 2.509 1.00 0.00 C ATOM 1008 O LEU A 65 -5.919 -7.227 2.091 1.00 0.00 O ATOM 1009 CB LEU A 65 -2.903 -5.839 1.621 1.00 0.00 C ATOM 1010 CG LEU A 65 -2.602 -4.413 1.144 1.00 0.00 C ATOM 1011 CD1 LEU A 65 -2.119 -3.542 2.292 1.00 0.00 C ATOM 1012 CD2 LEU A 65 -1.568 -4.436 0.027 1.00 0.00 C ATOM 0 H LEU A 65 -2.340 -5.843 4.024 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.656 -5.124 2.648 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.977 -6.281 1.990 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.218 -6.430 0.761 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.527 -3.983 0.760 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.913 -2.537 1.924 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.888 -3.496 3.063 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.208 -3.968 2.713 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.364 -3.417 -0.301 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.647 -4.890 0.393 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.951 -5.018 -0.811 1.00 0.00 H new ATOM 1024 N MET A 66 -4.145 -8.386 2.829 1.00 0.00 N ATOM 1025 CA MET A 66 -4.758 -9.694 2.598 1.00 0.00 C ATOM 1026 C MET A 66 -5.937 -9.940 3.536 1.00 0.00 C ATOM 1027 O MET A 66 -6.914 -10.586 3.162 1.00 0.00 O ATOM 1028 CB MET A 66 -3.725 -10.812 2.771 1.00 0.00 C ATOM 1029 CG MET A 66 -2.499 -10.652 1.886 1.00 0.00 C ATOM 1030 SD MET A 66 -2.909 -10.531 0.135 1.00 0.00 S ATOM 1031 CE MET A 66 -1.305 -10.122 -0.548 1.00 0.00 C ATOM 0 H MET A 66 -3.217 -8.425 3.250 1.00 0.00 H new ATOM 0 HA MET A 66 -5.130 -9.698 1.573 1.00 0.00 H new ATOM 0 HB2 MET A 66 -3.408 -10.844 3.813 1.00 0.00 H new ATOM 0 HB3 MET A 66 -4.198 -11.769 2.552 1.00 0.00 H new ATOM 0 HG2 MET A 66 -1.953 -9.759 2.189 1.00 0.00 H new ATOM 0 HG3 MET A 66 -1.833 -11.501 2.040 1.00 0.00 H new ATOM 0 HE1 MET A 66 -1.380 -10.047 -1.633 1.00 0.00 H new ATOM 0 HE2 MET A 66 -0.969 -9.169 -0.141 1.00 0.00 H new ATOM 0 HE3 MET A 66 -0.589 -10.901 -0.287 1.00 0.00 H new ATOM 1041 N SER A 67 -5.850 -9.427 4.753 1.00 0.00 N ATOM 1042 CA SER A 67 -6.876 -9.676 5.753 1.00 0.00 C ATOM 1043 C SER A 67 -8.115 -8.817 5.508 1.00 0.00 C ATOM 1044 O SER A 67 -9.225 -9.197 5.890 1.00 0.00 O ATOM 1045 CB SER A 67 -6.320 -9.433 7.158 1.00 0.00 C ATOM 1046 OG SER A 67 -5.731 -8.151 7.264 1.00 0.00 O ATOM 0 H SER A 67 -5.081 -8.837 5.072 1.00 0.00 H new ATOM 0 HA SER A 67 -7.178 -10.720 5.671 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.122 -9.529 7.890 1.00 0.00 H new ATOM 0 HB3 SER A 67 -5.579 -10.197 7.395 1.00 0.00 H new ATOM 0 HG SER A 67 -4.807 -8.188 6.940 1.00 0.00 H new ATOM 1052 N SER A 68 -7.933 -7.668 4.866 1.00 0.00 N ATOM 1053 CA SER A 68 -9.058 -6.788 4.568 1.00 0.00 C ATOM 1054 C SER A 68 -9.430 -6.855 3.085 1.00 0.00 C ATOM 1055 O SER A 68 -10.234 -6.057 2.593 1.00 0.00 O ATOM 1056 CB SER A 68 -8.726 -5.349 4.982 1.00 0.00 C ATOM 1057 OG SER A 68 -7.532 -4.896 4.371 1.00 0.00 O ATOM 0 H SER A 68 -7.027 -7.326 4.545 1.00 0.00 H new ATOM 0 HA SER A 68 -9.921 -7.126 5.142 1.00 0.00 H new ATOM 0 HB2 SER A 68 -9.550 -4.691 4.706 1.00 0.00 H new ATOM 0 HB3 SER A 68 -8.624 -5.295 6.066 1.00 0.00 H new ATOM 0 HG SER A 68 -6.760 -5.231 4.873 1.00 0.00 H new ATOM 1063 N LEU A 69 -8.858 -7.827 2.384 1.00 0.00 N ATOM 1064 CA LEU A 69 -9.101 -7.999 0.958 1.00 0.00 C ATOM 1065 C LEU A 69 -10.444 -8.681 0.717 1.00 0.00 C ATOM 1066 O LEU A 69 -10.760 -9.693 1.352 1.00 0.00 O ATOM 1067 CB LEU A 69 -7.978 -8.830 0.331 1.00 0.00 C ATOM 1068 CG LEU A 69 -8.066 -9.027 -1.183 1.00 0.00 C ATOM 1069 CD1 LEU A 69 -7.888 -7.701 -1.904 1.00 0.00 C ATOM 1070 CD2 LEU A 69 -7.024 -10.034 -1.650 1.00 0.00 C ATOM 0 H LEU A 69 -8.218 -8.513 2.785 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.123 -7.013 0.493 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.025 -8.353 0.562 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.967 -9.811 0.807 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.055 -9.418 -1.423 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.954 -7.860 -2.980 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.670 -7.009 -1.591 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.913 -7.281 -1.658 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.100 -10.162 -2.730 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.028 -9.671 -1.397 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.197 -10.991 -1.158 1.00 0.00 H new ATOM 1440 N THR B 8 3.815 9.659 -16.696 1.00 0.00 N ATOM 1441 CA THR B 8 4.520 10.916 -16.544 1.00 0.00 C ATOM 1442 C THR B 8 5.207 10.976 -15.183 1.00 0.00 C ATOM 1443 O THR B 8 4.539 11.036 -14.146 1.00 0.00 O ATOM 1444 CB THR B 8 3.544 12.100 -16.671 1.00 0.00 C ATOM 1445 OG1 THR B 8 2.632 11.861 -17.751 1.00 0.00 O ATOM 1446 CG2 THR B 8 4.291 13.400 -16.916 1.00 0.00 C ATOM 0 HA THR B 8 5.270 10.982 -17.332 1.00 0.00 H new ATOM 0 HB THR B 8 2.993 12.190 -15.735 1.00 0.00 H new ATOM 0 HG1 THR B 8 2.503 10.896 -17.863 1.00 0.00 H new ATOM 0 HG21 THR B 8 3.577 14.219 -17.002 1.00 0.00 H new ATOM 0 HG22 THR B 8 4.967 13.594 -16.083 1.00 0.00 H new ATOM 0 HG23 THR B 8 4.865 13.321 -17.839 1.00 0.00 H new ATOM 1454 N ASP B 9 6.533 10.942 -15.194 1.00 0.00 N ATOM 1455 CA ASP B 9 7.326 11.015 -13.967 1.00 0.00 C ATOM 1456 C ASP B 9 6.978 12.274 -13.192 1.00 0.00 C ATOM 1457 O ASP B 9 6.913 12.261 -11.961 1.00 0.00 O ATOM 1458 CB ASP B 9 8.821 11.022 -14.291 1.00 0.00 C ATOM 1459 CG ASP B 9 9.248 9.843 -15.134 1.00 0.00 C ATOM 1460 OD1 ASP B 9 9.082 9.905 -16.372 1.00 0.00 O ATOM 1461 OD2 ASP B 9 9.761 8.855 -14.574 1.00 0.00 O ATOM 0 H ASP B 9 7.089 10.864 -16.046 1.00 0.00 H new ATOM 0 HA ASP B 9 7.095 10.138 -13.362 1.00 0.00 H new ATOM 0 HB2 ASP B 9 9.069 11.945 -14.815 1.00 0.00 H new ATOM 0 HB3 ASP B 9 9.389 11.021 -13.361 1.00 0.00 H new ATOM 1466 N GLU B 10 6.747 13.353 -13.934 1.00 0.00 N ATOM 1467 CA GLU B 10 6.365 14.629 -13.352 1.00 0.00 C ATOM 1468 C GLU B 10 5.140 14.464 -12.466 1.00 0.00 C ATOM 1469 O GLU B 10 5.188 14.755 -11.273 1.00 0.00 O ATOM 1470 CB GLU B 10 6.075 15.648 -14.456 1.00 0.00 C ATOM 1471 CG GLU B 10 5.615 17.000 -13.934 1.00 0.00 C ATOM 1472 CD GLU B 10 5.205 17.946 -15.043 1.00 0.00 C ATOM 1473 OE1 GLU B 10 4.036 17.880 -15.484 1.00 0.00 O ATOM 1474 OE2 GLU B 10 6.046 18.760 -15.476 1.00 0.00 O ATOM 0 H GLU B 10 6.820 13.365 -14.951 1.00 0.00 H new ATOM 0 HA GLU B 10 7.193 14.991 -12.742 1.00 0.00 H new ATOM 0 HB2 GLU B 10 6.975 15.787 -15.056 1.00 0.00 H new ATOM 0 HB3 GLU B 10 5.309 15.245 -15.119 1.00 0.00 H new ATOM 0 HG2 GLU B 10 4.774 16.856 -13.256 1.00 0.00 H new ATOM 0 HG3 GLU B 10 6.419 17.453 -13.354 1.00 0.00 H new ATOM 1481 N GLN B 11 4.056 13.958 -13.047 1.00 0.00 N ATOM 1482 CA GLN B 11 2.796 13.845 -12.324 1.00 0.00 C ATOM 1483 C GLN B 11 2.939 12.931 -11.112 1.00 0.00 C ATOM 1484 O GLN B 11 2.395 13.226 -10.050 1.00 0.00 O ATOM 1485 CB GLN B 11 1.668 13.346 -13.232 1.00 0.00 C ATOM 1486 CG GLN B 11 0.328 13.251 -12.512 1.00 0.00 C ATOM 1487 CD GLN B 11 -0.842 12.989 -13.439 1.00 0.00 C ATOM 1488 OE1 GLN B 11 -0.593 12.297 -14.539 1.00 0.00 O flip ATOM 1489 NE2 GLN B 11 -1.968 13.405 -13.160 1.00 0.00 N flip ATOM 0 H GLN B 11 4.025 13.622 -14.010 1.00 0.00 H new ATOM 0 HA GLN B 11 2.534 14.845 -11.977 1.00 0.00 H new ATOM 0 HB2 GLN B 11 1.570 14.018 -14.085 1.00 0.00 H new ATOM 0 HB3 GLN B 11 1.933 12.365 -13.627 1.00 0.00 H new ATOM 0 HG2 GLN B 11 0.379 12.453 -11.771 1.00 0.00 H new ATOM 0 HG3 GLN B 11 0.150 14.179 -11.969 1.00 0.00 H new ATOM 0 HE21 GLN B 11 -2.118 13.935 -12.301 1.00 0.00 H new ATOM 0 HE22 GLN B 11 -2.750 13.219 -13.788 1.00 0.00 H new ATOM 1498 N VAL B 12 3.683 11.835 -11.263 1.00 0.00 N ATOM 1499 CA VAL B 12 3.932 10.933 -10.141 1.00 0.00 C ATOM 1500 C VAL B 12 4.543 11.708 -8.974 1.00 0.00 C ATOM 1501 O VAL B 12 4.054 11.641 -7.848 1.00 0.00 O ATOM 1502 CB VAL B 12 4.873 9.763 -10.522 1.00 0.00 C ATOM 1503 CG1 VAL B 12 5.215 8.923 -9.301 1.00 0.00 C ATOM 1504 CG2 VAL B 12 4.250 8.884 -11.597 1.00 0.00 C ATOM 0 H VAL B 12 4.119 11.553 -12.141 1.00 0.00 H new ATOM 0 HA VAL B 12 2.970 10.509 -9.853 1.00 0.00 H new ATOM 0 HB VAL B 12 5.791 10.197 -10.919 1.00 0.00 H new ATOM 0 HG11 VAL B 12 5.877 8.108 -9.594 1.00 0.00 H new ATOM 0 HG12 VAL B 12 5.714 9.546 -8.559 1.00 0.00 H new ATOM 0 HG13 VAL B 12 4.300 8.512 -8.874 1.00 0.00 H new ATOM 0 HG21 VAL B 12 4.933 8.072 -11.844 1.00 0.00 H new ATOM 0 HG22 VAL B 12 3.311 8.470 -11.229 1.00 0.00 H new ATOM 0 HG23 VAL B 12 4.058 9.481 -12.489 1.00 0.00 H new ATOM 1514 N GLU B 13 5.586 12.475 -9.271 1.00 0.00 N ATOM 1515 CA GLU B 13 6.281 13.256 -8.254 1.00 0.00 C ATOM 1516 C GLU B 13 5.365 14.319 -7.653 1.00 0.00 C ATOM 1517 O GLU B 13 5.301 14.480 -6.433 1.00 0.00 O ATOM 1518 CB GLU B 13 7.516 13.927 -8.856 1.00 0.00 C ATOM 1519 CG GLU B 13 8.355 14.682 -7.837 1.00 0.00 C ATOM 1520 CD GLU B 13 9.439 15.519 -8.478 1.00 0.00 C ATOM 1521 OE1 GLU B 13 10.428 14.944 -8.974 1.00 0.00 O ATOM 1522 OE2 GLU B 13 9.303 16.762 -8.496 1.00 0.00 O ATOM 0 H GLU B 13 5.970 12.573 -10.211 1.00 0.00 H new ATOM 0 HA GLU B 13 6.587 12.574 -7.461 1.00 0.00 H new ATOM 0 HB2 GLU B 13 8.135 13.168 -9.334 1.00 0.00 H new ATOM 0 HB3 GLU B 13 7.199 14.618 -9.637 1.00 0.00 H new ATOM 0 HG2 GLU B 13 7.706 15.327 -7.245 1.00 0.00 H new ATOM 0 HG3 GLU B 13 8.811 13.970 -7.149 1.00 0.00 H new ATOM 1529 N LYS B 14 4.646 15.037 -8.511 1.00 0.00 N ATOM 1530 CA LYS B 14 3.825 16.156 -8.062 1.00 0.00 C ATOM 1531 C LYS B 14 2.669 15.677 -7.194 1.00 0.00 C ATOM 1532 O LYS B 14 2.289 16.354 -6.238 1.00 0.00 O ATOM 1533 CB LYS B 14 3.296 16.967 -9.251 1.00 0.00 C ATOM 1534 CG LYS B 14 4.377 17.402 -10.231 1.00 0.00 C ATOM 1535 CD LYS B 14 5.601 17.959 -9.519 1.00 0.00 C ATOM 1536 CE LYS B 14 6.736 18.230 -10.495 1.00 0.00 C ATOM 1537 NZ LYS B 14 7.981 18.648 -9.800 1.00 0.00 N ATOM 0 H LYS B 14 4.615 14.865 -9.516 1.00 0.00 H new ATOM 0 HA LYS B 14 4.460 16.805 -7.459 1.00 0.00 H new ATOM 0 HB2 LYS B 14 2.555 16.371 -9.784 1.00 0.00 H new ATOM 0 HB3 LYS B 14 2.783 17.852 -8.875 1.00 0.00 H new ATOM 0 HG2 LYS B 14 4.671 16.552 -10.847 1.00 0.00 H new ATOM 0 HG3 LYS B 14 3.973 18.159 -10.904 1.00 0.00 H new ATOM 0 HD2 LYS B 14 5.335 18.881 -9.003 1.00 0.00 H new ATOM 0 HD3 LYS B 14 5.934 17.253 -8.758 1.00 0.00 H new ATOM 0 HE2 LYS B 14 6.932 17.332 -11.081 1.00 0.00 H new ATOM 0 HE3 LYS B 14 6.433 19.008 -11.196 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 8.598 19.153 -10.467 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 7.741 19.276 -9.006 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 8.476 17.808 -9.439 1.00 0.00 H new ATOM 1551 N ILE B 15 2.114 14.514 -7.519 1.00 0.00 N ATOM 1552 CA ILE B 15 1.048 13.937 -6.709 1.00 0.00 C ATOM 1553 C ILE B 15 1.598 13.479 -5.364 1.00 0.00 C ATOM 1554 O ILE B 15 0.999 13.739 -4.321 1.00 0.00 O ATOM 1555 CB ILE B 15 0.349 12.755 -7.416 1.00 0.00 C ATOM 1556 CG1 ILE B 15 -0.368 13.234 -8.681 1.00 0.00 C ATOM 1557 CG2 ILE B 15 -0.642 12.079 -6.476 1.00 0.00 C ATOM 1558 CD1 ILE B 15 -1.055 12.123 -9.449 1.00 0.00 C ATOM 0 H ILE B 15 2.382 13.957 -8.330 1.00 0.00 H new ATOM 0 HA ILE B 15 0.303 14.718 -6.557 1.00 0.00 H new ATOM 0 HB ILE B 15 1.111 12.029 -7.700 1.00 0.00 H new ATOM 0 HG12 ILE B 15 -1.108 13.985 -8.406 1.00 0.00 H new ATOM 0 HG13 ILE B 15 0.355 13.723 -9.335 1.00 0.00 H new ATOM 0 HG21 ILE B 15 -1.125 11.249 -6.992 1.00 0.00 H new ATOM 0 HG22 ILE B 15 -0.114 11.704 -5.599 1.00 0.00 H new ATOM 0 HG23 ILE B 15 -1.397 12.800 -6.164 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -1.541 12.538 -10.332 1.00 0.00 H new ATOM 0 HD12 ILE B 15 -0.317 11.382 -9.756 1.00 0.00 H new ATOM 0 HD13 ILE B 15 -1.802 11.649 -8.813 1.00 0.00 H new ATOM 1570 N LEU B 16 2.751 12.815 -5.396 1.00 0.00 N ATOM 1571 CA LEU B 16 3.422 12.386 -4.172 1.00 0.00 C ATOM 1572 C LEU B 16 3.683 13.580 -3.260 1.00 0.00 C ATOM 1573 O LEU B 16 3.568 13.483 -2.041 1.00 0.00 O ATOM 1574 CB LEU B 16 4.742 11.686 -4.496 1.00 0.00 C ATOM 1575 CG LEU B 16 4.612 10.318 -5.165 1.00 0.00 C ATOM 1576 CD1 LEU B 16 5.977 9.811 -5.599 1.00 0.00 C ATOM 1577 CD2 LEU B 16 3.955 9.324 -4.220 1.00 0.00 C ATOM 0 H LEU B 16 3.239 12.563 -6.255 1.00 0.00 H new ATOM 0 HA LEU B 16 2.768 11.682 -3.658 1.00 0.00 H new ATOM 0 HB2 LEU B 16 5.328 12.335 -5.146 1.00 0.00 H new ATOM 0 HB3 LEU B 16 5.307 11.567 -3.572 1.00 0.00 H new ATOM 0 HG LEU B 16 3.982 10.423 -6.048 1.00 0.00 H new ATOM 0 HD11 LEU B 16 5.869 8.836 -6.074 1.00 0.00 H new ATOM 0 HD12 LEU B 16 6.417 10.513 -6.307 1.00 0.00 H new ATOM 0 HD13 LEU B 16 6.625 9.720 -4.728 1.00 0.00 H new ATOM 0 HD21 LEU B 16 3.870 8.355 -4.712 1.00 0.00 H new ATOM 0 HD22 LEU B 16 4.562 9.222 -3.320 1.00 0.00 H new ATOM 0 HD23 LEU B 16 2.962 9.681 -3.949 1.00 0.00 H new ATOM 1589 N ALA B 17 4.034 14.706 -3.866 1.00 0.00 N ATOM 1590 CA ALA B 17 4.260 15.935 -3.126 1.00 0.00 C ATOM 1591 C ALA B 17 2.977 16.410 -2.447 1.00 0.00 C ATOM 1592 O ALA B 17 2.985 16.759 -1.269 1.00 0.00 O ATOM 1593 CB ALA B 17 4.811 17.008 -4.050 1.00 0.00 C ATOM 0 H ALA B 17 4.168 14.791 -4.874 1.00 0.00 H new ATOM 0 HA ALA B 17 4.994 15.737 -2.345 1.00 0.00 H new ATOM 0 HB1 ALA B 17 4.977 17.925 -3.485 1.00 0.00 H new ATOM 0 HB2 ALA B 17 5.755 16.670 -4.478 1.00 0.00 H new ATOM 0 HB3 ALA B 17 4.097 17.200 -4.851 1.00 0.00 H new ATOM 1599 N GLU B 18 1.873 16.403 -3.188 1.00 0.00 N ATOM 1600 CA GLU B 18 0.584 16.822 -2.644 1.00 0.00 C ATOM 1601 C GLU B 18 0.147 15.894 -1.517 1.00 0.00 C ATOM 1602 O GLU B 18 -0.358 16.346 -0.487 1.00 0.00 O ATOM 1603 CB GLU B 18 -0.482 16.841 -3.739 1.00 0.00 C ATOM 1604 CG GLU B 18 -0.169 17.793 -4.882 1.00 0.00 C ATOM 1605 CD GLU B 18 0.000 19.229 -4.428 1.00 0.00 C ATOM 1606 OE1 GLU B 18 -1.015 19.949 -4.337 1.00 0.00 O ATOM 1607 OE2 GLU B 18 1.148 19.647 -4.183 1.00 0.00 O ATOM 0 H GLU B 18 1.844 16.112 -4.165 1.00 0.00 H new ATOM 0 HA GLU B 18 0.700 17.830 -2.245 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -0.597 15.833 -4.139 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -1.439 17.120 -3.297 1.00 0.00 H new ATOM 0 HG2 GLU B 18 0.743 17.466 -5.380 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -0.970 17.743 -5.619 1.00 0.00 H new ATOM 1614 N VAL B 19 0.348 14.595 -1.719 1.00 0.00 N ATOM 1615 CA VAL B 19 0.031 13.600 -0.703 1.00 0.00 C ATOM 1616 C VAL B 19 0.895 13.816 0.535 1.00 0.00 C ATOM 1617 O VAL B 19 0.408 13.756 1.667 1.00 0.00 O ATOM 1618 CB VAL B 19 0.238 12.164 -1.236 1.00 0.00 C ATOM 1619 CG1 VAL B 19 -0.007 11.133 -0.142 1.00 0.00 C ATOM 1620 CG2 VAL B 19 -0.673 11.900 -2.426 1.00 0.00 C ATOM 0 H VAL B 19 0.731 14.207 -2.581 1.00 0.00 H new ATOM 0 HA VAL B 19 -1.020 13.720 -0.439 1.00 0.00 H new ATOM 0 HB VAL B 19 1.274 12.073 -1.562 1.00 0.00 H new ATOM 0 HG11 VAL B 19 0.146 10.132 -0.545 1.00 0.00 H new ATOM 0 HG12 VAL B 19 0.688 11.303 0.680 1.00 0.00 H new ATOM 0 HG13 VAL B 19 -1.030 11.225 0.222 1.00 0.00 H new ATOM 0 HG21 VAL B 19 -0.514 10.884 -2.788 1.00 0.00 H new ATOM 0 HG22 VAL B 19 -1.713 12.018 -2.121 1.00 0.00 H new ATOM 0 HG23 VAL B 19 -0.446 12.609 -3.222 1.00 0.00 H new ATOM 1630 N ALA B 20 2.177 14.089 0.310 1.00 0.00 N ATOM 1631 CA ALA B 20 3.105 14.360 1.396 1.00 0.00 C ATOM 1632 C ALA B 20 2.685 15.603 2.166 1.00 0.00 C ATOM 1633 O ALA B 20 2.884 15.683 3.373 1.00 0.00 O ATOM 1634 CB ALA B 20 4.522 14.518 0.870 1.00 0.00 C ATOM 0 H ALA B 20 2.595 14.128 -0.620 1.00 0.00 H new ATOM 0 HA ALA B 20 3.084 13.509 2.076 1.00 0.00 H new ATOM 0 HB1 ALA B 20 5.198 14.720 1.701 1.00 0.00 H new ATOM 0 HB2 ALA B 20 4.828 13.600 0.368 1.00 0.00 H new ATOM 0 HB3 ALA B 20 4.557 15.347 0.163 1.00 0.00 H new ATOM 1640 N LEU B 21 2.099 16.563 1.465 1.00 0.00 N ATOM 1641 CA LEU B 21 1.606 17.779 2.101 1.00 0.00 C ATOM 1642 C LEU B 21 0.452 17.473 3.045 1.00 0.00 C ATOM 1643 O LEU B 21 0.316 18.114 4.087 1.00 0.00 O ATOM 1644 CB LEU B 21 1.161 18.802 1.061 1.00 0.00 C ATOM 1645 CG LEU B 21 2.283 19.404 0.221 1.00 0.00 C ATOM 1646 CD1 LEU B 21 1.734 20.482 -0.690 1.00 0.00 C ATOM 1647 CD2 LEU B 21 3.375 19.966 1.117 1.00 0.00 C ATOM 0 H LEU B 21 1.953 16.525 0.456 1.00 0.00 H new ATOM 0 HA LEU B 21 2.430 18.200 2.677 1.00 0.00 H new ATOM 0 HB2 LEU B 21 0.443 18.328 0.392 1.00 0.00 H new ATOM 0 HB3 LEU B 21 0.637 19.610 1.571 1.00 0.00 H new ATOM 0 HG LEU B 21 2.718 18.617 -0.396 1.00 0.00 H new ATOM 0 HD11 LEU B 21 2.545 20.904 -1.284 1.00 0.00 H new ATOM 0 HD12 LEU B 21 0.984 20.051 -1.353 1.00 0.00 H new ATOM 0 HD13 LEU B 21 1.277 21.268 -0.089 1.00 0.00 H new ATOM 0 HD21 LEU B 21 4.168 20.392 0.501 1.00 0.00 H new ATOM 0 HD22 LEU B 21 2.956 20.742 1.757 1.00 0.00 H new ATOM 0 HD23 LEU B 21 3.785 19.168 1.735 1.00 0.00 H new ATOM 1659 N VAL B 22 -0.371 16.495 2.685 1.00 0.00 N ATOM 1660 CA VAL B 22 -1.466 16.071 3.547 1.00 0.00 C ATOM 1661 C VAL B 22 -0.904 15.424 4.808 1.00 0.00 C ATOM 1662 O VAL B 22 -1.369 15.685 5.920 1.00 0.00 O ATOM 1663 CB VAL B 22 -2.407 15.074 2.835 1.00 0.00 C ATOM 1664 CG1 VAL B 22 -3.589 14.715 3.724 1.00 0.00 C ATOM 1665 CG2 VAL B 22 -2.891 15.642 1.509 1.00 0.00 C ATOM 0 H VAL B 22 -0.301 15.983 1.806 1.00 0.00 H new ATOM 0 HA VAL B 22 -2.047 16.957 3.804 1.00 0.00 H new ATOM 0 HB VAL B 22 -1.842 14.164 2.633 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -4.237 14.012 3.201 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -3.226 14.258 4.645 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -4.151 15.617 3.964 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -3.552 14.923 1.025 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -3.433 16.571 1.687 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -2.035 15.839 0.864 1.00 0.00 H new ATOM 1675 N LEU B 23 0.114 14.594 4.619 1.00 0.00 N ATOM 1676 CA LEU B 23 0.805 13.952 5.730 1.00 0.00 C ATOM 1677 C LEU B 23 1.483 15.001 6.604 1.00 0.00 C ATOM 1678 O LEU B 23 1.411 14.943 7.830 1.00 0.00 O ATOM 1679 CB LEU B 23 1.844 12.957 5.201 1.00 0.00 C ATOM 1680 CG LEU B 23 1.306 11.901 4.236 1.00 0.00 C ATOM 1681 CD1 LEU B 23 2.434 11.008 3.740 1.00 0.00 C ATOM 1682 CD2 LEU B 23 0.216 11.069 4.900 1.00 0.00 C ATOM 0 H LEU B 23 0.481 14.348 3.700 1.00 0.00 H new ATOM 0 HA LEU B 23 0.074 13.412 6.332 1.00 0.00 H new ATOM 0 HB2 LEU B 23 2.634 13.515 4.699 1.00 0.00 H new ATOM 0 HB3 LEU B 23 2.302 12.450 6.050 1.00 0.00 H new ATOM 0 HG LEU B 23 0.869 12.412 3.378 1.00 0.00 H new ATOM 0 HD11 LEU B 23 2.033 10.262 3.054 1.00 0.00 H new ATOM 0 HD12 LEU B 23 3.177 11.614 3.222 1.00 0.00 H new ATOM 0 HD13 LEU B 23 2.901 10.507 4.588 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -0.153 10.324 4.195 1.00 0.00 H new ATOM 0 HD22 LEU B 23 0.624 10.568 5.778 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -0.605 11.719 5.203 1.00 0.00 H new ATOM 1694 N GLU B 24 2.131 15.956 5.951 1.00 0.00 N ATOM 1695 CA GLU B 24 2.797 17.061 6.630 1.00 0.00 C ATOM 1696 C GLU B 24 1.798 17.886 7.437 1.00 0.00 C ATOM 1697 O GLU B 24 2.066 18.270 8.574 1.00 0.00 O ATOM 1698 CB GLU B 24 3.489 17.959 5.599 1.00 0.00 C ATOM 1699 CG GLU B 24 4.203 19.151 6.211 1.00 0.00 C ATOM 1700 CD GLU B 24 4.743 20.104 5.170 1.00 0.00 C ATOM 1701 OE1 GLU B 24 3.949 20.887 4.605 1.00 0.00 O ATOM 1702 OE2 GLU B 24 5.965 20.088 4.917 1.00 0.00 O ATOM 0 H GLU B 24 2.210 15.987 4.935 1.00 0.00 H new ATOM 0 HA GLU B 24 3.538 16.647 7.315 1.00 0.00 H new ATOM 0 HB2 GLU B 24 4.209 17.364 5.037 1.00 0.00 H new ATOM 0 HB3 GLU B 24 2.747 18.318 4.886 1.00 0.00 H new ATOM 0 HG2 GLU B 24 3.514 19.686 6.865 1.00 0.00 H new ATOM 0 HG3 GLU B 24 5.024 18.797 6.834 1.00 0.00 H new ATOM 1709 N LYS B 25 0.649 18.148 6.833 1.00 0.00 N ATOM 1710 CA LYS B 25 -0.382 18.976 7.444 1.00 0.00 C ATOM 1711 C LYS B 25 -0.912 18.340 8.724 1.00 0.00 C ATOM 1712 O LYS B 25 -1.080 19.010 9.742 1.00 0.00 O ATOM 1713 CB LYS B 25 -1.515 19.200 6.439 1.00 0.00 C ATOM 1714 CG LYS B 25 -2.616 20.126 6.931 1.00 0.00 C ATOM 1715 CD LYS B 25 -3.540 20.529 5.793 1.00 0.00 C ATOM 1716 CE LYS B 25 -4.278 19.338 5.208 1.00 0.00 C ATOM 1717 NZ LYS B 25 -5.044 19.715 3.994 1.00 0.00 N ATOM 0 H LYS B 25 0.404 17.794 5.908 1.00 0.00 H new ATOM 0 HA LYS B 25 0.053 19.938 7.715 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -1.094 19.611 5.521 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -1.955 18.236 6.184 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -3.191 19.629 7.712 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -2.174 21.017 7.378 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -4.262 21.261 6.155 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -2.959 21.015 5.010 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -3.564 18.553 4.960 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -4.957 18.927 5.955 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -5.926 19.166 3.956 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -5.269 20.730 4.027 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -4.474 19.514 3.148 1.00 0.00 H new ATOM 1731 N HIS B 26 -1.147 17.038 8.680 1.00 0.00 N ATOM 1732 CA HIS B 26 -1.691 16.332 9.834 1.00 0.00 C ATOM 1733 C HIS B 26 -0.589 15.856 10.769 1.00 0.00 C ATOM 1734 O HIS B 26 -0.877 15.326 11.839 1.00 0.00 O ATOM 1735 CB HIS B 26 -2.544 15.142 9.397 1.00 0.00 C ATOM 1736 CG HIS B 26 -3.828 15.531 8.728 1.00 0.00 C ATOM 1737 ND1 HIS B 26 -5.007 15.722 9.415 1.00 0.00 N ATOM 1738 CD2 HIS B 26 -4.115 15.754 7.423 1.00 0.00 C ATOM 1739 CE1 HIS B 26 -5.963 16.044 8.562 1.00 0.00 C ATOM 1740 NE2 HIS B 26 -5.446 16.069 7.348 1.00 0.00 N ATOM 0 H HIS B 26 -0.972 16.450 7.865 1.00 0.00 H new ATOM 0 HA HIS B 26 -2.320 17.040 10.374 1.00 0.00 H new ATOM 0 HB2 HIS B 26 -1.963 14.522 8.715 1.00 0.00 H new ATOM 0 HB3 HIS B 26 -2.771 14.530 10.270 1.00 0.00 H new ATOM 0 HD1 HIS B 26 -5.123 15.629 10.424 1.00 0.00 H new ATOM 0 HD2 HIS B 26 -3.423 15.695 6.596 1.00 0.00 H new ATOM 0 HE1 HIS B 26 -6.992 16.251 8.815 1.00 0.00 H new ATOM 0 HE2 HIS B 26 -5.955 16.288 6.492 1.00 0.00 H new ATOM 1749 N ALA B 27 0.665 16.063 10.365 1.00 0.00 N ATOM 1750 CA ALA B 27 1.823 15.613 11.142 1.00 0.00 C ATOM 1751 C ALA B 27 1.765 14.103 11.360 1.00 0.00 C ATOM 1752 O ALA B 27 1.958 13.608 12.473 1.00 0.00 O ATOM 1753 CB ALA B 27 1.908 16.357 12.473 1.00 0.00 C ATOM 0 H ALA B 27 0.907 16.543 9.498 1.00 0.00 H new ATOM 0 HA ALA B 27 2.726 15.841 10.576 1.00 0.00 H new ATOM 0 HB1 ALA B 27 2.776 16.005 13.032 1.00 0.00 H new ATOM 0 HB2 ALA B 27 2.006 17.426 12.286 1.00 0.00 H new ATOM 0 HB3 ALA B 27 1.004 16.171 13.052 1.00 0.00 H new ATOM 1759 N ALA B 28 1.506 13.382 10.276 1.00 0.00 N ATOM 1760 CA ALA B 28 1.333 11.934 10.323 1.00 0.00 C ATOM 1761 C ALA B 28 2.602 11.212 10.773 1.00 0.00 C ATOM 1762 O ALA B 28 3.696 11.472 10.267 1.00 0.00 O ATOM 1763 CB ALA B 28 0.893 11.419 8.960 1.00 0.00 C ATOM 0 H ALA B 28 1.410 13.782 9.343 1.00 0.00 H new ATOM 0 HA ALA B 28 0.561 11.722 11.063 1.00 0.00 H new ATOM 0 HB1 ALA B 28 0.766 10.337 9.003 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -0.053 11.885 8.683 1.00 0.00 H new ATOM 0 HB3 ALA B 28 1.650 11.666 8.216 1.00 0.00 H new ATOM 1769 N SER B 29 2.442 10.312 11.736 1.00 0.00 N ATOM 1770 CA SER B 29 3.532 9.465 12.196 1.00 0.00 C ATOM 1771 C SER B 29 3.903 8.452 11.108 1.00 0.00 C ATOM 1772 O SER B 29 3.072 8.130 10.259 1.00 0.00 O ATOM 1773 CB SER B 29 3.106 8.738 13.473 1.00 0.00 C ATOM 1774 OG SER B 29 2.587 9.651 14.427 1.00 0.00 O ATOM 0 H SER B 29 1.557 10.150 12.217 1.00 0.00 H new ATOM 0 HA SER B 29 4.405 10.081 12.409 1.00 0.00 H new ATOM 0 HB2 SER B 29 2.352 7.988 13.235 1.00 0.00 H new ATOM 0 HB3 SER B 29 3.960 8.209 13.897 1.00 0.00 H new ATOM 0 HG SER B 29 2.320 9.164 15.234 1.00 0.00 H new ATOM 1780 N PRO B 30 5.150 7.940 11.117 1.00 0.00 N ATOM 1781 CA PRO B 30 5.633 6.984 10.108 1.00 0.00 C ATOM 1782 C PRO B 30 4.691 5.799 9.896 1.00 0.00 C ATOM 1783 O PRO B 30 4.339 5.476 8.761 1.00 0.00 O ATOM 1784 CB PRO B 30 6.971 6.510 10.679 1.00 0.00 C ATOM 1785 CG PRO B 30 7.438 7.640 11.527 1.00 0.00 C ATOM 1786 CD PRO B 30 6.200 8.270 12.102 1.00 0.00 C ATOM 0 HA PRO B 30 5.708 7.449 9.125 1.00 0.00 H new ATOM 0 HB2 PRO B 30 6.852 5.598 11.264 1.00 0.00 H new ATOM 0 HB3 PRO B 30 7.685 6.288 9.885 1.00 0.00 H new ATOM 0 HG2 PRO B 30 8.099 7.286 12.318 1.00 0.00 H new ATOM 0 HG3 PRO B 30 8.004 8.361 10.938 1.00 0.00 H new ATOM 0 HD2 PRO B 30 5.966 7.867 13.087 1.00 0.00 H new ATOM 0 HD3 PRO B 30 6.316 9.348 12.218 1.00 0.00 H new ATOM 1794 N GLU B 31 4.271 5.156 10.985 1.00 0.00 N ATOM 1795 CA GLU B 31 3.365 4.015 10.885 1.00 0.00 C ATOM 1796 C GLU B 31 2.004 4.449 10.361 1.00 0.00 C ATOM 1797 O GLU B 31 1.370 3.725 9.601 1.00 0.00 O ATOM 1798 CB GLU B 31 3.202 3.320 12.233 1.00 0.00 C ATOM 1799 CG GLU B 31 4.471 2.655 12.733 1.00 0.00 C ATOM 1800 CD GLU B 31 4.284 2.007 14.087 1.00 0.00 C ATOM 1801 OE1 GLU B 31 4.268 2.741 15.097 1.00 0.00 O ATOM 1802 OE2 GLU B 31 4.146 0.767 14.150 1.00 0.00 O ATOM 0 H GLU B 31 4.541 5.403 11.937 1.00 0.00 H new ATOM 0 HA GLU B 31 3.806 3.308 10.182 1.00 0.00 H new ATOM 0 HB2 GLU B 31 2.870 4.050 12.971 1.00 0.00 H new ATOM 0 HB3 GLU B 31 2.416 2.569 12.152 1.00 0.00 H new ATOM 0 HG2 GLU B 31 4.792 1.902 12.013 1.00 0.00 H new ATOM 0 HG3 GLU B 31 5.267 3.397 12.794 1.00 0.00 H new ATOM 1809 N LEU B 32 1.561 5.637 10.761 1.00 0.00 N ATOM 1810 CA LEU B 32 0.306 6.188 10.262 1.00 0.00 C ATOM 1811 C LEU B 32 0.407 6.402 8.755 1.00 0.00 C ATOM 1812 O LEU B 32 -0.501 6.057 8.006 1.00 0.00 O ATOM 1813 CB LEU B 32 -0.021 7.508 10.974 1.00 0.00 C ATOM 1814 CG LEU B 32 -1.292 8.228 10.499 1.00 0.00 C ATOM 1815 CD1 LEU B 32 -2.527 7.373 10.739 1.00 0.00 C ATOM 1816 CD2 LEU B 32 -1.436 9.569 11.203 1.00 0.00 C ATOM 0 H LEU B 32 2.051 6.235 11.427 1.00 0.00 H new ATOM 0 HA LEU B 32 -0.501 5.484 10.468 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -0.117 7.309 12.041 1.00 0.00 H new ATOM 0 HB3 LEU B 32 0.825 8.185 10.850 1.00 0.00 H new ATOM 0 HG LEU B 32 -1.201 8.400 9.427 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -3.412 7.907 10.393 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -2.432 6.435 10.192 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -2.623 7.163 11.804 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -2.341 10.067 10.856 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -1.500 9.410 12.279 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -0.570 10.192 10.979 1.00 0.00 H new ATOM 1828 N THR B 33 1.540 6.952 8.332 1.00 0.00 N ATOM 1829 CA THR B 33 1.838 7.155 6.921 1.00 0.00 C ATOM 1830 C THR B 33 1.776 5.839 6.146 1.00 0.00 C ATOM 1831 O THR B 33 1.101 5.736 5.120 1.00 0.00 O ATOM 1832 CB THR B 33 3.244 7.772 6.757 1.00 0.00 C ATOM 1833 OG1 THR B 33 3.280 9.075 7.353 1.00 0.00 O ATOM 1834 CG2 THR B 33 3.646 7.859 5.293 1.00 0.00 C ATOM 0 H THR B 33 2.278 7.270 8.960 1.00 0.00 H new ATOM 0 HA THR B 33 1.086 7.834 6.519 1.00 0.00 H new ATOM 0 HB THR B 33 3.957 7.121 7.263 1.00 0.00 H new ATOM 0 HG1 THR B 33 3.237 8.990 8.328 1.00 0.00 H new ATOM 0 HG21 THR B 33 4.641 8.298 5.214 1.00 0.00 H new ATOM 0 HG22 THR B 33 3.655 6.860 4.858 1.00 0.00 H new ATOM 0 HG23 THR B 33 2.931 8.482 4.756 1.00 0.00 H new ATOM 1842 N LEU B 34 2.476 4.836 6.653 1.00 0.00 N ATOM 1843 CA LEU B 34 2.569 3.555 5.976 1.00 0.00 C ATOM 1844 C LEU B 34 1.230 2.820 6.018 1.00 0.00 C ATOM 1845 O LEU B 34 0.842 2.161 5.052 1.00 0.00 O ATOM 1846 CB LEU B 34 3.687 2.716 6.604 1.00 0.00 C ATOM 1847 CG LEU B 34 4.047 1.442 5.845 1.00 0.00 C ATOM 1848 CD1 LEU B 34 5.548 1.211 5.883 1.00 0.00 C ATOM 1849 CD2 LEU B 34 3.316 0.246 6.435 1.00 0.00 C ATOM 0 H LEU B 34 2.989 4.886 7.533 1.00 0.00 H new ATOM 0 HA LEU B 34 2.814 3.725 4.927 1.00 0.00 H new ATOM 0 HB2 LEU B 34 4.580 3.335 6.688 1.00 0.00 H new ATOM 0 HB3 LEU B 34 3.391 2.445 7.617 1.00 0.00 H new ATOM 0 HG LEU B 34 3.737 1.560 4.807 1.00 0.00 H new ATOM 0 HD11 LEU B 34 5.790 0.299 5.338 1.00 0.00 H new ATOM 0 HD12 LEU B 34 6.058 2.056 5.421 1.00 0.00 H new ATOM 0 HD13 LEU B 34 5.875 1.112 6.918 1.00 0.00 H new ATOM 0 HD21 LEU B 34 3.585 -0.654 5.882 1.00 0.00 H new ATOM 0 HD22 LEU B 34 3.599 0.127 7.481 1.00 0.00 H new ATOM 0 HD23 LEU B 34 2.240 0.407 6.366 1.00 0.00 H new ATOM 1861 N MET B 35 0.516 2.948 7.130 1.00 0.00 N ATOM 1862 CA MET B 35 -0.803 2.342 7.258 1.00 0.00 C ATOM 1863 C MET B 35 -1.787 3.009 6.298 1.00 0.00 C ATOM 1864 O MET B 35 -2.702 2.368 5.782 1.00 0.00 O ATOM 1865 CB MET B 35 -1.299 2.437 8.706 1.00 0.00 C ATOM 1866 CG MET B 35 -2.636 1.753 8.951 1.00 0.00 C ATOM 1867 SD MET B 35 -3.013 1.567 10.706 1.00 0.00 S ATOM 1868 CE MET B 35 -2.973 3.272 11.256 1.00 0.00 C ATOM 0 H MET B 35 0.827 3.464 7.953 1.00 0.00 H new ATOM 0 HA MET B 35 -0.731 1.287 6.995 1.00 0.00 H new ATOM 0 HB2 MET B 35 -0.551 1.995 9.365 1.00 0.00 H new ATOM 0 HB3 MET B 35 -1.385 3.488 8.981 1.00 0.00 H new ATOM 0 HG2 MET B 35 -3.428 2.330 8.473 1.00 0.00 H new ATOM 0 HG3 MET B 35 -2.628 0.770 8.479 1.00 0.00 H new ATOM 0 HE1 MET B 35 -3.359 3.335 12.273 1.00 0.00 H new ATOM 0 HE2 MET B 35 -1.946 3.637 11.234 1.00 0.00 H new ATOM 0 HE3 MET B 35 -3.589 3.882 10.596 1.00 0.00 H new ATOM 1878 N ILE B 36 -1.583 4.300 6.059 1.00 0.00 N ATOM 1879 CA ILE B 36 -2.360 5.030 5.066 1.00 0.00 C ATOM 1880 C ILE B 36 -2.120 4.463 3.669 1.00 0.00 C ATOM 1881 O ILE B 36 -3.066 4.245 2.911 1.00 0.00 O ATOM 1882 CB ILE B 36 -2.035 6.543 5.106 1.00 0.00 C ATOM 1883 CG1 ILE B 36 -2.811 7.201 6.251 1.00 0.00 C ATOM 1884 CG2 ILE B 36 -2.341 7.225 3.774 1.00 0.00 C ATOM 1885 CD1 ILE B 36 -2.587 8.691 6.368 1.00 0.00 C ATOM 0 H ILE B 36 -0.883 4.863 6.542 1.00 0.00 H new ATOM 0 HA ILE B 36 -3.415 4.907 5.309 1.00 0.00 H new ATOM 0 HB ILE B 36 -0.966 6.661 5.281 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -3.875 7.014 6.110 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -2.526 6.726 7.190 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -2.099 8.285 3.844 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -1.743 6.768 2.985 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -3.399 7.109 3.541 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -3.171 9.082 7.201 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -1.529 8.887 6.542 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -2.900 9.180 5.445 1.00 0.00 H new ATOM 1897 N ALA B 37 -0.858 4.197 3.349 1.00 0.00 N ATOM 1898 CA ALA B 37 -0.503 3.585 2.072 1.00 0.00 C ATOM 1899 C ALA B 37 -1.206 2.243 1.909 1.00 0.00 C ATOM 1900 O ALA B 37 -1.685 1.904 0.826 1.00 0.00 O ATOM 1901 CB ALA B 37 1.002 3.414 1.971 1.00 0.00 C ATOM 0 H ALA B 37 -0.063 4.395 3.956 1.00 0.00 H new ATOM 0 HA ALA B 37 -0.832 4.243 1.268 1.00 0.00 H new ATOM 0 HB1 ALA B 37 1.253 2.957 1.014 1.00 0.00 H new ATOM 0 HB2 ALA B 37 1.485 4.388 2.045 1.00 0.00 H new ATOM 0 HB3 ALA B 37 1.351 2.774 2.781 1.00 0.00 H new ATOM 1907 N GLY B 38 -1.277 1.492 3.004 1.00 0.00 N ATOM 1908 CA GLY B 38 -1.989 0.230 2.998 1.00 0.00 C ATOM 1909 C GLY B 38 -3.459 0.413 2.690 1.00 0.00 C ATOM 1910 O GLY B 38 -4.024 -0.316 1.878 1.00 0.00 O ATOM 0 H GLY B 38 -0.852 1.738 3.898 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -1.543 -0.435 2.258 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -1.879 -0.254 3.969 1.00 0.00 H new ATOM 1914 N ASN B 39 -4.071 1.402 3.330 1.00 0.00 N ATOM 1915 CA ASN B 39 -5.478 1.714 3.098 1.00 0.00 C ATOM 1916 C ASN B 39 -5.718 2.102 1.643 1.00 0.00 C ATOM 1917 O ASN B 39 -6.733 1.725 1.058 1.00 0.00 O ATOM 1918 CB ASN B 39 -5.949 2.841 4.023 1.00 0.00 C ATOM 1919 CG ASN B 39 -6.343 2.355 5.411 1.00 0.00 C ATOM 1920 OD1 ASN B 39 -7.490 1.980 5.645 1.00 0.00 O ATOM 1921 ND2 ASN B 39 -5.403 2.373 6.342 1.00 0.00 N ATOM 0 H ASN B 39 -3.615 2.004 4.016 1.00 0.00 H new ATOM 0 HA ASN B 39 -6.055 0.816 3.320 1.00 0.00 H new ATOM 0 HB2 ASN B 39 -5.154 3.581 4.117 1.00 0.00 H new ATOM 0 HB3 ASN B 39 -6.801 3.344 3.566 1.00 0.00 H new ATOM 0 HD21 ASN B 39 -5.619 2.069 7.291 1.00 0.00 H new ATOM 0 HD22 ASN B 39 -4.462 2.691 6.110 1.00 0.00 H new ATOM 1928 N ILE B 40 -4.782 2.853 1.064 1.00 0.00 N ATOM 1929 CA ILE B 40 -4.866 3.227 -0.346 1.00 0.00 C ATOM 1930 C ILE B 40 -4.927 1.978 -1.217 1.00 0.00 C ATOM 1931 O ILE B 40 -5.879 1.783 -1.973 1.00 0.00 O ATOM 1932 CB ILE B 40 -3.663 4.089 -0.798 1.00 0.00 C ATOM 1933 CG1 ILE B 40 -3.616 5.412 -0.029 1.00 0.00 C ATOM 1934 CG2 ILE B 40 -3.736 4.358 -2.297 1.00 0.00 C ATOM 1935 CD1 ILE B 40 -2.427 6.274 -0.392 1.00 0.00 C ATOM 0 H ILE B 40 -3.960 3.213 1.548 1.00 0.00 H new ATOM 0 HA ILE B 40 -5.774 3.819 -0.462 1.00 0.00 H new ATOM 0 HB ILE B 40 -2.750 3.534 -0.581 1.00 0.00 H new ATOM 0 HG12 ILE B 40 -4.532 5.969 -0.223 1.00 0.00 H new ATOM 0 HG13 ILE B 40 -3.591 5.202 1.040 1.00 0.00 H new ATOM 0 HG21 ILE B 40 -2.883 4.965 -2.600 1.00 0.00 H new ATOM 0 HG22 ILE B 40 -3.718 3.412 -2.838 1.00 0.00 H new ATOM 0 HG23 ILE B 40 -4.660 4.889 -2.527 1.00 0.00 H new ATOM 0 HD11 ILE B 40 -2.455 7.196 0.189 1.00 0.00 H new ATOM 0 HD12 ILE B 40 -1.506 5.734 -0.172 1.00 0.00 H new ATOM 0 HD13 ILE B 40 -2.462 6.514 -1.455 1.00 0.00 H new ATOM 1947 N ALA B 41 -3.909 1.129 -1.089 1.00 0.00 N ATOM 1948 CA ALA B 41 -3.839 -0.110 -1.847 1.00 0.00 C ATOM 1949 C ALA B 41 -5.087 -0.964 -1.633 1.00 0.00 C ATOM 1950 O ALA B 41 -5.672 -1.464 -2.589 1.00 0.00 O ATOM 1951 CB ALA B 41 -2.592 -0.891 -1.464 1.00 0.00 C ATOM 0 H ALA B 41 -3.119 1.282 -0.462 1.00 0.00 H new ATOM 0 HA ALA B 41 -3.787 0.146 -2.905 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -2.551 -1.816 -2.039 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -1.707 -0.292 -1.678 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -2.622 -1.126 -0.400 1.00 0.00 H new ATOM 1957 N THR B 42 -5.501 -1.103 -0.377 1.00 0.00 N ATOM 1958 CA THR B 42 -6.668 -1.910 -0.034 1.00 0.00 C ATOM 1959 C THR B 42 -7.934 -1.370 -0.705 1.00 0.00 C ATOM 1960 O THR B 42 -8.735 -2.136 -1.242 1.00 0.00 O ATOM 1961 CB THR B 42 -6.870 -1.963 1.494 1.00 0.00 C ATOM 1962 OG1 THR B 42 -5.663 -2.412 2.127 1.00 0.00 O ATOM 1963 CG2 THR B 42 -8.009 -2.900 1.864 1.00 0.00 C ATOM 0 H THR B 42 -5.044 -0.666 0.423 1.00 0.00 H new ATOM 0 HA THR B 42 -6.485 -2.919 -0.402 1.00 0.00 H new ATOM 0 HB THR B 42 -7.120 -0.959 1.838 1.00 0.00 H new ATOM 0 HG1 THR B 42 -5.053 -1.654 2.243 1.00 0.00 H new ATOM 0 HG21 THR B 42 -8.128 -2.917 2.947 1.00 0.00 H new ATOM 0 HG22 THR B 42 -8.932 -2.550 1.403 1.00 0.00 H new ATOM 0 HG23 THR B 42 -7.784 -3.905 1.508 1.00 0.00 H new ATOM 1971 N ASN B 43 -8.101 -0.049 -0.689 1.00 0.00 N ATOM 1972 CA ASN B 43 -9.247 0.586 -1.341 1.00 0.00 C ATOM 1973 C ASN B 43 -9.223 0.274 -2.834 1.00 0.00 C ATOM 1974 O ASN B 43 -10.246 -0.079 -3.425 1.00 0.00 O ATOM 1975 CB ASN B 43 -9.231 2.104 -1.088 1.00 0.00 C ATOM 1976 CG ASN B 43 -10.468 2.832 -1.611 1.00 0.00 C ATOM 1977 OD1 ASN B 43 -10.980 2.539 -2.689 1.00 0.00 O ATOM 1978 ND2 ASN B 43 -10.969 3.779 -0.829 1.00 0.00 N ATOM 0 H ASN B 43 -7.461 0.601 -0.234 1.00 0.00 H new ATOM 0 HA ASN B 43 -10.171 0.189 -0.920 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -9.142 2.283 -0.016 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -8.345 2.531 -1.557 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -11.804 4.289 -1.117 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -10.519 3.997 0.060 1.00 0.00 H new ATOM 1985 N VAL B 44 -8.040 0.362 -3.431 1.00 0.00 N ATOM 1986 CA VAL B 44 -7.867 0.029 -4.838 1.00 0.00 C ATOM 1987 C VAL B 44 -8.196 -1.442 -5.087 1.00 0.00 C ATOM 1988 O VAL B 44 -8.926 -1.772 -6.019 1.00 0.00 O ATOM 1989 CB VAL B 44 -6.427 0.318 -5.319 1.00 0.00 C ATOM 1990 CG1 VAL B 44 -6.265 -0.017 -6.795 1.00 0.00 C ATOM 1991 CG2 VAL B 44 -6.055 1.769 -5.056 1.00 0.00 C ATOM 0 H VAL B 44 -7.186 0.662 -2.961 1.00 0.00 H new ATOM 0 HA VAL B 44 -8.554 0.658 -5.404 1.00 0.00 H new ATOM 0 HB VAL B 44 -5.749 -0.320 -4.752 1.00 0.00 H new ATOM 0 HG11 VAL B 44 -5.242 0.196 -7.106 1.00 0.00 H new ATOM 0 HG12 VAL B 44 -6.480 -1.074 -6.954 1.00 0.00 H new ATOM 0 HG13 VAL B 44 -6.956 0.586 -7.383 1.00 0.00 H new ATOM 0 HG21 VAL B 44 -5.038 1.952 -5.402 1.00 0.00 H new ATOM 0 HG22 VAL B 44 -6.743 2.424 -5.591 1.00 0.00 H new ATOM 0 HG23 VAL B 44 -6.117 1.973 -3.987 1.00 0.00 H new ATOM 2001 N LEU B 45 -7.683 -2.315 -4.227 1.00 0.00 N ATOM 2002 CA LEU B 45 -7.870 -3.757 -4.376 1.00 0.00 C ATOM 2003 C LEU B 45 -9.332 -4.164 -4.196 1.00 0.00 C ATOM 2004 O LEU B 45 -9.749 -5.222 -4.665 1.00 0.00 O ATOM 2005 CB LEU B 45 -7.015 -4.521 -3.361 1.00 0.00 C ATOM 2006 CG LEU B 45 -5.505 -4.311 -3.471 1.00 0.00 C ATOM 2007 CD1 LEU B 45 -4.783 -5.075 -2.372 1.00 0.00 C ATOM 2008 CD2 LEU B 45 -5.005 -4.747 -4.837 1.00 0.00 C ATOM 0 H LEU B 45 -7.130 -2.048 -3.413 1.00 0.00 H new ATOM 0 HA LEU B 45 -7.560 -4.011 -5.389 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -7.331 -4.233 -2.358 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -7.223 -5.586 -3.467 1.00 0.00 H new ATOM 0 HG LEU B 45 -5.294 -3.248 -3.351 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -3.709 -4.916 -2.464 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -5.121 -4.719 -1.399 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -5.001 -6.139 -2.465 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -3.928 -4.590 -4.897 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -5.227 -5.804 -4.985 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -5.501 -4.160 -5.610 1.00 0.00 H new ATOM 2020 N ASN B 46 -10.103 -3.338 -3.508 1.00 0.00 N ATOM 2021 CA ASN B 46 -11.496 -3.679 -3.240 1.00 0.00 C ATOM 2022 C ASN B 46 -12.452 -2.979 -4.207 1.00 0.00 C ATOM 2023 O ASN B 46 -13.413 -3.591 -4.675 1.00 0.00 O ATOM 2024 CB ASN B 46 -11.870 -3.355 -1.792 1.00 0.00 C ATOM 2025 CG ASN B 46 -11.213 -4.302 -0.799 1.00 0.00 C ATOM 2026 OD1 ASN B 46 -10.919 -5.453 -1.118 1.00 0.00 O ATOM 2027 ND2 ASN B 46 -10.994 -3.825 0.417 1.00 0.00 N ATOM 0 H ASN B 46 -9.798 -2.441 -3.129 1.00 0.00 H new ATOM 0 HA ASN B 46 -11.597 -4.753 -3.395 1.00 0.00 H new ATOM 0 HB2 ASN B 46 -11.575 -2.331 -1.564 1.00 0.00 H new ATOM 0 HB3 ASN B 46 -12.953 -3.407 -1.679 1.00 0.00 H new ATOM 0 HD21 ASN B 46 -10.567 -4.418 1.128 1.00 0.00 H new ATOM 0 HD22 ASN B 46 -11.252 -2.864 0.642 1.00 0.00 H new ATOM 2034 N GLN B 47 -12.192 -1.716 -4.517 1.00 0.00 N ATOM 2035 CA GLN B 47 -13.111 -0.943 -5.349 1.00 0.00 C ATOM 2036 C GLN B 47 -12.597 -0.741 -6.776 1.00 0.00 C ATOM 2037 O GLN B 47 -13.369 -0.805 -7.730 1.00 0.00 O ATOM 2038 CB GLN B 47 -13.378 0.430 -4.725 1.00 0.00 C ATOM 2039 CG GLN B 47 -14.084 0.382 -3.379 1.00 0.00 C ATOM 2040 CD GLN B 47 -14.437 1.767 -2.866 1.00 0.00 C ATOM 2041 OE1 GLN B 47 -14.691 2.686 -3.646 1.00 0.00 O ATOM 2042 NE2 GLN B 47 -14.460 1.926 -1.550 1.00 0.00 N ATOM 0 H GLN B 47 -11.363 -1.207 -4.210 1.00 0.00 H new ATOM 0 HA GLN B 47 -14.032 -1.524 -5.401 1.00 0.00 H new ATOM 0 HB2 GLN B 47 -12.429 0.952 -4.605 1.00 0.00 H new ATOM 0 HB3 GLN B 47 -13.980 1.019 -5.417 1.00 0.00 H new ATOM 0 HG2 GLN B 47 -14.993 -0.213 -3.469 1.00 0.00 H new ATOM 0 HG3 GLN B 47 -13.445 -0.120 -2.653 1.00 0.00 H new ATOM 0 HE21 GLN B 47 -14.243 1.140 -0.937 1.00 0.00 H new ATOM 0 HE22 GLN B 47 -14.694 2.835 -1.150 1.00 0.00 H new ATOM 2051 N ARG B 48 -11.302 -0.505 -6.930 1.00 0.00 N ATOM 2052 CA ARG B 48 -10.780 0.003 -8.195 1.00 0.00 C ATOM 2053 C ARG B 48 -10.030 -1.063 -8.994 1.00 0.00 C ATOM 2054 O ARG B 48 -9.208 -0.734 -9.852 1.00 0.00 O ATOM 2055 CB ARG B 48 -9.861 1.199 -7.932 1.00 0.00 C ATOM 2056 CG ARG B 48 -10.513 2.288 -7.091 1.00 0.00 C ATOM 2057 CD ARG B 48 -9.631 3.521 -6.972 1.00 0.00 C ATOM 2058 NE ARG B 48 -10.190 4.496 -6.039 1.00 0.00 N ATOM 2059 CZ ARG B 48 -10.597 5.720 -6.384 1.00 0.00 C ATOM 2060 NH1 ARG B 48 -10.517 6.127 -7.648 1.00 0.00 N ATOM 2061 NH2 ARG B 48 -11.089 6.535 -5.460 1.00 0.00 N ATOM 0 H ARG B 48 -10.599 -0.654 -6.206 1.00 0.00 H new ATOM 0 HA ARG B 48 -11.635 0.311 -8.797 1.00 0.00 H new ATOM 0 HB2 ARG B 48 -8.960 0.851 -7.428 1.00 0.00 H new ATOM 0 HB3 ARG B 48 -9.549 1.625 -8.886 1.00 0.00 H new ATOM 0 HG2 ARG B 48 -11.468 2.567 -7.536 1.00 0.00 H new ATOM 0 HG3 ARG B 48 -10.727 1.898 -6.096 1.00 0.00 H new ATOM 0 HD2 ARG B 48 -8.636 3.226 -6.638 1.00 0.00 H new ATOM 0 HD3 ARG B 48 -9.514 3.981 -7.953 1.00 0.00 H new ATOM 0 HE ARG B 48 -10.275 4.224 -5.060 1.00 0.00 H new ATOM 0 HH11 ARG B 48 -10.143 5.502 -8.362 1.00 0.00 H new ATOM 0 HH12 ARG B 48 -10.830 7.064 -7.903 1.00 0.00 H new ATOM 0 HH21 ARG B 48 -11.155 6.226 -4.490 1.00 0.00 H new ATOM 0 HH22 ARG B 48 -11.401 7.471 -5.719 1.00 0.00 H new ATOM 2075 N VAL B 49 -10.321 -2.328 -8.737 1.00 0.00 N ATOM 2076 CA VAL B 49 -9.679 -3.413 -9.469 1.00 0.00 C ATOM 2077 C VAL B 49 -10.655 -4.575 -9.672 1.00 0.00 C ATOM 2078 O VAL B 49 -11.696 -4.645 -9.010 1.00 0.00 O ATOM 2079 CB VAL B 49 -8.405 -3.903 -8.735 1.00 0.00 C ATOM 2080 CG1 VAL B 49 -8.751 -4.820 -7.573 1.00 0.00 C ATOM 2081 CG2 VAL B 49 -7.440 -4.580 -9.694 1.00 0.00 C ATOM 0 H VAL B 49 -10.993 -2.630 -8.032 1.00 0.00 H new ATOM 0 HA VAL B 49 -9.383 -3.030 -10.445 1.00 0.00 H new ATOM 0 HB VAL B 49 -7.907 -3.024 -8.326 1.00 0.00 H new ATOM 0 HG11 VAL B 49 -7.834 -5.145 -7.081 1.00 0.00 H new ATOM 0 HG12 VAL B 49 -9.376 -4.283 -6.859 1.00 0.00 H new ATOM 0 HG13 VAL B 49 -9.291 -5.691 -7.945 1.00 0.00 H new ATOM 0 HG21 VAL B 49 -6.557 -4.912 -9.148 1.00 0.00 H new ATOM 0 HG22 VAL B 49 -7.927 -5.440 -10.154 1.00 0.00 H new ATOM 0 HG23 VAL B 49 -7.143 -3.874 -10.470 1.00 0.00 H new ATOM 2091 N ALA B 50 -10.326 -5.469 -10.598 1.00 0.00 N ATOM 2092 CA ALA B 50 -11.155 -6.633 -10.870 1.00 0.00 C ATOM 2093 C ALA B 50 -11.026 -7.669 -9.757 1.00 0.00 C ATOM 2094 O ALA B 50 -9.963 -7.807 -9.148 1.00 0.00 O ATOM 2095 CB ALA B 50 -10.780 -7.240 -12.212 1.00 0.00 C ATOM 0 H ALA B 50 -9.487 -5.407 -11.174 1.00 0.00 H new ATOM 0 HA ALA B 50 -12.196 -6.312 -10.909 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -11.407 -8.111 -12.405 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -10.931 -6.502 -13.000 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -9.733 -7.543 -12.194 1.00 0.00 H new ATOM 2101 N ALA B 51 -12.109 -8.397 -9.507 1.00 0.00 N ATOM 2102 CA ALA B 51 -12.163 -9.378 -8.429 1.00 0.00 C ATOM 2103 C ALA B 51 -11.107 -10.468 -8.594 1.00 0.00 C ATOM 2104 O ALA B 51 -10.495 -10.902 -7.618 1.00 0.00 O ATOM 2105 CB ALA B 51 -13.548 -10.001 -8.353 1.00 0.00 C ATOM 0 H ALA B 51 -12.973 -8.324 -10.045 1.00 0.00 H new ATOM 0 HA ALA B 51 -11.950 -8.851 -7.499 1.00 0.00 H new ATOM 0 HB1 ALA B 51 -13.575 -10.731 -7.544 1.00 0.00 H new ATOM 0 HB2 ALA B 51 -14.287 -9.223 -8.163 1.00 0.00 H new ATOM 0 HB3 ALA B 51 -13.776 -10.496 -9.297 1.00 0.00 H new ATOM 2111 N SER B 52 -10.895 -10.900 -9.825 1.00 0.00 N ATOM 2112 CA SER B 52 -9.925 -11.949 -10.109 1.00 0.00 C ATOM 2113 C SER B 52 -8.503 -11.379 -10.134 1.00 0.00 C ATOM 2114 O SER B 52 -7.522 -12.110 -9.996 1.00 0.00 O ATOM 2115 CB SER B 52 -10.271 -12.619 -11.443 1.00 0.00 C ATOM 2116 OG SER B 52 -9.423 -13.718 -11.719 1.00 0.00 O ATOM 0 H SER B 52 -11.381 -10.541 -10.647 1.00 0.00 H new ATOM 0 HA SER B 52 -9.967 -12.698 -9.318 1.00 0.00 H new ATOM 0 HB2 SER B 52 -11.307 -12.957 -11.421 1.00 0.00 H new ATOM 0 HB3 SER B 52 -10.191 -11.888 -12.248 1.00 0.00 H new ATOM 0 HG SER B 52 -9.676 -14.119 -12.577 1.00 0.00 H new ATOM 2122 N GLN B 53 -8.398 -10.062 -10.277 1.00 0.00 N ATOM 2123 CA GLN B 53 -7.098 -9.407 -10.345 1.00 0.00 C ATOM 2124 C GLN B 53 -6.578 -9.104 -8.944 1.00 0.00 C ATOM 2125 O GLN B 53 -5.373 -8.968 -8.749 1.00 0.00 O ATOM 2126 CB GLN B 53 -7.189 -8.101 -11.149 1.00 0.00 C ATOM 2127 CG GLN B 53 -5.835 -7.511 -11.523 1.00 0.00 C ATOM 2128 CD GLN B 53 -5.039 -8.399 -12.465 1.00 0.00 C ATOM 2129 OE1 GLN B 53 -3.807 -8.399 -12.446 1.00 0.00 O ATOM 2130 NE2 GLN B 53 -5.731 -9.150 -13.308 1.00 0.00 N ATOM 0 H GLN B 53 -9.195 -9.429 -10.348 1.00 0.00 H new ATOM 0 HA GLN B 53 -6.407 -10.085 -10.846 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -7.758 -8.286 -12.060 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -7.747 -7.366 -10.568 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -5.986 -6.538 -11.991 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -5.255 -7.342 -10.615 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -6.751 -9.124 -13.295 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -5.244 -9.754 -13.970 1.00 0.00 H new ATOM 2139 N ARG B 54 -7.497 -9.035 -7.975 1.00 0.00 N ATOM 2140 CA ARG B 54 -7.184 -8.577 -6.614 1.00 0.00 C ATOM 2141 C ARG B 54 -5.913 -9.218 -6.063 1.00 0.00 C ATOM 2142 O ARG B 54 -4.965 -8.520 -5.713 1.00 0.00 O ATOM 2143 CB ARG B 54 -8.336 -8.870 -5.647 1.00 0.00 C ATOM 2144 CG ARG B 54 -9.682 -8.307 -6.072 1.00 0.00 C ATOM 2145 CD ARG B 54 -10.683 -8.366 -4.927 1.00 0.00 C ATOM 2146 NE ARG B 54 -12.077 -8.332 -5.386 1.00 0.00 N ATOM 2147 CZ ARG B 54 -12.793 -7.217 -5.528 1.00 0.00 C ATOM 2148 NH1 ARG B 54 -12.226 -6.032 -5.365 1.00 0.00 N ATOM 2149 NH2 ARG B 54 -14.080 -7.293 -5.856 1.00 0.00 N ATOM 0 H ARG B 54 -8.475 -9.293 -8.109 1.00 0.00 H new ATOM 0 HA ARG B 54 -7.030 -7.501 -6.691 1.00 0.00 H new ATOM 0 HB2 ARG B 54 -8.429 -9.950 -5.532 1.00 0.00 H new ATOM 0 HB3 ARG B 54 -8.081 -8.466 -4.667 1.00 0.00 H new ATOM 0 HG2 ARG B 54 -9.561 -7.275 -6.401 1.00 0.00 H new ATOM 0 HG3 ARG B 54 -10.064 -8.871 -6.923 1.00 0.00 H new ATOM 0 HD2 ARG B 54 -10.517 -9.277 -4.352 1.00 0.00 H new ATOM 0 HD3 ARG B 54 -10.507 -7.528 -4.253 1.00 0.00 H new ATOM 0 HE ARG B 54 -12.527 -9.219 -5.611 1.00 0.00 H new ATOM 0 HH11 ARG B 54 -11.236 -5.969 -5.129 1.00 0.00 H new ATOM 0 HH12 ARG B 54 -12.779 -5.182 -5.475 1.00 0.00 H new ATOM 0 HH21 ARG B 54 -14.517 -8.204 -5.998 1.00 0.00 H new ATOM 0 HH22 ARG B 54 -14.630 -6.441 -5.965 1.00 0.00 H new ATOM 2163 N LYS B 55 -5.889 -10.542 -5.995 1.00 0.00 N ATOM 2164 CA LYS B 55 -4.760 -11.239 -5.391 1.00 0.00 C ATOM 2165 C LYS B 55 -3.518 -11.155 -6.274 1.00 0.00 C ATOM 2166 O LYS B 55 -2.405 -10.966 -5.773 1.00 0.00 O ATOM 2167 CB LYS B 55 -5.106 -12.699 -5.102 1.00 0.00 C ATOM 2168 CG LYS B 55 -3.978 -13.431 -4.402 1.00 0.00 C ATOM 2169 CD LYS B 55 -4.378 -14.822 -3.955 1.00 0.00 C ATOM 2170 CE LYS B 55 -3.259 -15.469 -3.157 1.00 0.00 C ATOM 2171 NZ LYS B 55 -2.066 -15.769 -4.000 1.00 0.00 N ATOM 0 H LYS B 55 -6.629 -11.150 -6.346 1.00 0.00 H new ATOM 0 HA LYS B 55 -4.540 -10.742 -4.446 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -6.003 -12.742 -4.484 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -5.340 -13.207 -6.038 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -3.123 -13.501 -5.074 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -3.657 -12.853 -3.536 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -5.282 -14.769 -3.348 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -4.614 -15.436 -4.824 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -2.968 -14.808 -2.341 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -3.624 -16.391 -2.705 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -1.342 -16.240 -3.421 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -2.343 -16.394 -4.784 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -1.680 -14.883 -4.384 1.00 0.00 H new ATOM 2185 N LEU B 56 -3.715 -11.280 -7.581 1.00 0.00 N ATOM 2186 CA LEU B 56 -2.611 -11.234 -8.533 1.00 0.00 C ATOM 2187 C LEU B 56 -1.883 -9.901 -8.413 1.00 0.00 C ATOM 2188 O LEU B 56 -0.666 -9.857 -8.239 1.00 0.00 O ATOM 2189 CB LEU B 56 -3.149 -11.430 -9.963 1.00 0.00 C ATOM 2190 CG LEU B 56 -2.111 -11.756 -11.050 1.00 0.00 C ATOM 2191 CD1 LEU B 56 -2.812 -12.235 -12.308 1.00 0.00 C ATOM 2192 CD2 LEU B 56 -1.246 -10.547 -11.381 1.00 0.00 C ATOM 0 H LEU B 56 -4.632 -11.414 -8.007 1.00 0.00 H new ATOM 0 HA LEU B 56 -1.907 -12.036 -8.312 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -3.885 -12.233 -9.943 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -3.676 -10.522 -10.256 1.00 0.00 H new ATOM 0 HG LEU B 56 -1.463 -12.542 -10.663 1.00 0.00 H new ATOM 0 HD11 LEU B 56 -2.070 -12.464 -13.073 1.00 0.00 H new ATOM 0 HD12 LEU B 56 -3.390 -13.131 -12.083 1.00 0.00 H new ATOM 0 HD13 LEU B 56 -3.480 -11.454 -12.672 1.00 0.00 H new ATOM 0 HD21 LEU B 56 -0.525 -10.816 -12.153 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -1.878 -9.735 -11.742 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -0.715 -10.223 -10.486 1.00 0.00 H new ATOM 2204 N ILE B 57 -2.648 -8.823 -8.474 1.00 0.00 N ATOM 2205 CA ILE B 57 -2.090 -7.483 -8.454 1.00 0.00 C ATOM 2206 C ILE B 57 -1.564 -7.135 -7.057 1.00 0.00 C ATOM 2207 O ILE B 57 -0.702 -6.271 -6.907 1.00 0.00 O ATOM 2208 CB ILE B 57 -3.148 -6.452 -8.925 1.00 0.00 C ATOM 2209 CG1 ILE B 57 -2.495 -5.130 -9.321 1.00 0.00 C ATOM 2210 CG2 ILE B 57 -4.201 -6.218 -7.852 1.00 0.00 C ATOM 2211 CD1 ILE B 57 -3.474 -4.143 -9.923 1.00 0.00 C ATOM 0 H ILE B 57 -3.666 -8.852 -8.538 1.00 0.00 H new ATOM 0 HA ILE B 57 -1.248 -7.447 -9.145 1.00 0.00 H new ATOM 0 HB ILE B 57 -3.639 -6.868 -9.805 1.00 0.00 H new ATOM 0 HG12 ILE B 57 -2.031 -4.683 -8.442 1.00 0.00 H new ATOM 0 HG13 ILE B 57 -1.698 -5.325 -10.038 1.00 0.00 H new ATOM 0 HG21 ILE B 57 -4.930 -5.491 -8.210 1.00 0.00 H new ATOM 0 HG22 ILE B 57 -4.706 -7.157 -7.627 1.00 0.00 H new ATOM 0 HG23 ILE B 57 -3.722 -5.838 -6.949 1.00 0.00 H new ATOM 0 HD11 ILE B 57 -2.950 -3.224 -10.184 1.00 0.00 H new ATOM 0 HD12 ILE B 57 -3.920 -4.573 -10.820 1.00 0.00 H new ATOM 0 HD13 ILE B 57 -4.258 -3.921 -9.199 1.00 0.00 H new ATOM 2223 N ALA B 58 -2.059 -7.850 -6.046 1.00 0.00 N ATOM 2224 CA ALA B 58 -1.634 -7.632 -4.667 1.00 0.00 C ATOM 2225 C ALA B 58 -0.217 -8.142 -4.453 1.00 0.00 C ATOM 2226 O ALA B 58 0.634 -7.439 -3.909 1.00 0.00 O ATOM 2227 CB ALA B 58 -2.586 -8.313 -3.691 1.00 0.00 C ATOM 0 H ALA B 58 -2.756 -8.586 -6.159 1.00 0.00 H new ATOM 0 HA ALA B 58 -1.652 -6.559 -4.478 1.00 0.00 H new ATOM 0 HB1 ALA B 58 -2.248 -8.136 -2.670 1.00 0.00 H new ATOM 0 HB2 ALA B 58 -3.589 -7.906 -3.817 1.00 0.00 H new ATOM 0 HB3 ALA B 58 -2.603 -9.385 -3.887 1.00 0.00 H new ATOM 2233 N GLU B 59 0.046 -9.366 -4.898 1.00 0.00 N ATOM 2234 CA GLU B 59 1.366 -9.955 -4.733 1.00 0.00 C ATOM 2235 C GLU B 59 2.326 -9.430 -5.793 1.00 0.00 C ATOM 2236 O GLU B 59 3.540 -9.410 -5.588 1.00 0.00 O ATOM 2237 CB GLU B 59 1.289 -11.480 -4.753 1.00 0.00 C ATOM 2238 CG GLU B 59 0.665 -12.066 -6.004 1.00 0.00 C ATOM 2239 CD GLU B 59 0.452 -13.557 -5.873 1.00 0.00 C ATOM 2240 OE1 GLU B 59 1.412 -14.321 -6.111 1.00 0.00 O ATOM 2241 OE2 GLU B 59 -0.668 -13.969 -5.501 1.00 0.00 O ATOM 0 H GLU B 59 -0.632 -9.963 -5.371 1.00 0.00 H new ATOM 0 HA GLU B 59 1.754 -9.660 -3.758 1.00 0.00 H new ATOM 0 HB2 GLU B 59 2.296 -11.883 -4.643 1.00 0.00 H new ATOM 0 HB3 GLU B 59 0.716 -11.813 -3.887 1.00 0.00 H new ATOM 0 HG2 GLU B 59 -0.290 -11.577 -6.199 1.00 0.00 H new ATOM 0 HG3 GLU B 59 1.307 -11.863 -6.861 1.00 0.00 H new ATOM 2248 N LYS B 60 1.771 -9.006 -6.922 1.00 0.00 N ATOM 2249 CA LYS B 60 2.527 -8.261 -7.922 1.00 0.00 C ATOM 2250 C LYS B 60 3.093 -6.999 -7.281 1.00 0.00 C ATOM 2251 O LYS B 60 4.276 -6.679 -7.422 1.00 0.00 O ATOM 2252 CB LYS B 60 1.608 -7.908 -9.102 1.00 0.00 C ATOM 2253 CG LYS B 60 2.127 -6.802 -10.004 1.00 0.00 C ATOM 2254 CD LYS B 60 1.078 -6.400 -11.032 1.00 0.00 C ATOM 2255 CE LYS B 60 1.403 -5.062 -11.680 1.00 0.00 C ATOM 2256 NZ LYS B 60 0.343 -4.634 -12.633 1.00 0.00 N ATOM 0 H LYS B 60 0.794 -9.166 -7.169 1.00 0.00 H new ATOM 0 HA LYS B 60 3.352 -8.866 -8.297 1.00 0.00 H new ATOM 0 HB2 LYS B 60 1.451 -8.804 -9.703 1.00 0.00 H new ATOM 0 HB3 LYS B 60 0.635 -7.612 -8.711 1.00 0.00 H new ATOM 0 HG2 LYS B 60 2.402 -5.936 -9.402 1.00 0.00 H new ATOM 0 HG3 LYS B 60 3.031 -7.137 -10.513 1.00 0.00 H new ATOM 0 HD2 LYS B 60 1.010 -7.169 -11.801 1.00 0.00 H new ATOM 0 HD3 LYS B 60 0.101 -6.343 -10.551 1.00 0.00 H new ATOM 0 HE2 LYS B 60 1.523 -4.304 -10.906 1.00 0.00 H new ATOM 0 HE3 LYS B 60 2.355 -5.135 -12.205 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 0.586 -3.703 -13.027 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 0.269 -5.328 -13.404 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -0.568 -4.572 -12.134 1.00 0.00 H new ATOM 2270 N PHE B 61 2.229 -6.308 -6.555 1.00 0.00 N ATOM 2271 CA PHE B 61 2.610 -5.135 -5.790 1.00 0.00 C ATOM 2272 C PHE B 61 3.638 -5.491 -4.717 1.00 0.00 C ATOM 2273 O PHE B 61 4.691 -4.859 -4.619 1.00 0.00 O ATOM 2274 CB PHE B 61 1.356 -4.529 -5.152 1.00 0.00 C ATOM 2275 CG PHE B 61 1.634 -3.536 -4.066 1.00 0.00 C ATOM 2276 CD1 PHE B 61 2.197 -2.309 -4.361 1.00 0.00 C ATOM 2277 CD2 PHE B 61 1.313 -3.827 -2.752 1.00 0.00 C ATOM 2278 CE1 PHE B 61 2.444 -1.392 -3.363 1.00 0.00 C ATOM 2279 CE2 PHE B 61 1.559 -2.914 -1.750 1.00 0.00 C ATOM 2280 CZ PHE B 61 2.122 -1.692 -2.056 1.00 0.00 C ATOM 0 H PHE B 61 1.240 -6.547 -6.480 1.00 0.00 H new ATOM 0 HA PHE B 61 3.071 -4.407 -6.457 1.00 0.00 H new ATOM 0 HB2 PHE B 61 0.766 -4.044 -5.929 1.00 0.00 H new ATOM 0 HB3 PHE B 61 0.745 -5.334 -4.744 1.00 0.00 H new ATOM 0 HD1 PHE B 61 2.446 -2.067 -5.384 1.00 0.00 H new ATOM 0 HD2 PHE B 61 0.865 -4.779 -2.509 1.00 0.00 H new ATOM 0 HE1 PHE B 61 2.890 -0.438 -3.604 1.00 0.00 H new ATOM 0 HE2 PHE B 61 1.312 -3.154 -0.727 1.00 0.00 H new ATOM 0 HZ PHE B 61 2.310 -0.972 -1.273 1.00 0.00 H new ATOM 2290 N ALA B 62 3.326 -6.514 -3.925 1.00 0.00 N ATOM 2291 CA ALA B 62 4.194 -6.940 -2.835 1.00 0.00 C ATOM 2292 C ALA B 62 5.589 -7.304 -3.335 1.00 0.00 C ATOM 2293 O ALA B 62 6.588 -6.964 -2.703 1.00 0.00 O ATOM 2294 CB ALA B 62 3.572 -8.120 -2.101 1.00 0.00 C ATOM 0 H ALA B 62 2.473 -7.065 -4.020 1.00 0.00 H new ATOM 0 HA ALA B 62 4.299 -6.102 -2.145 1.00 0.00 H new ATOM 0 HB1 ALA B 62 4.229 -8.430 -1.288 1.00 0.00 H new ATOM 0 HB2 ALA B 62 2.605 -7.826 -1.694 1.00 0.00 H new ATOM 0 HB3 ALA B 62 3.436 -8.950 -2.795 1.00 0.00 H new ATOM 2300 N GLN B 63 5.655 -7.986 -4.473 1.00 0.00 N ATOM 2301 CA GLN B 63 6.934 -8.391 -5.041 1.00 0.00 C ATOM 2302 C GLN B 63 7.762 -7.167 -5.422 1.00 0.00 C ATOM 2303 O GLN B 63 8.955 -7.095 -5.124 1.00 0.00 O ATOM 2304 CB GLN B 63 6.722 -9.284 -6.266 1.00 0.00 C ATOM 2305 CG GLN B 63 8.014 -9.846 -6.839 1.00 0.00 C ATOM 2306 CD GLN B 63 7.787 -10.697 -8.073 1.00 0.00 C ATOM 2307 OE1 GLN B 63 6.739 -11.325 -8.225 1.00 0.00 O ATOM 2308 NE2 GLN B 63 8.773 -10.739 -8.955 1.00 0.00 N ATOM 0 H GLN B 63 4.841 -8.269 -5.018 1.00 0.00 H new ATOM 0 HA GLN B 63 7.476 -8.959 -4.285 1.00 0.00 H new ATOM 0 HB2 GLN B 63 6.065 -10.110 -5.994 1.00 0.00 H new ATOM 0 HB3 GLN B 63 6.210 -8.711 -7.039 1.00 0.00 H new ATOM 0 HG2 GLN B 63 8.684 -9.023 -7.089 1.00 0.00 H new ATOM 0 HG3 GLN B 63 8.514 -10.444 -6.077 1.00 0.00 H new ATOM 0 HE21 GLN B 63 9.626 -10.204 -8.792 1.00 0.00 H new ATOM 0 HE22 GLN B 63 8.680 -11.307 -9.797 1.00 0.00 H new ATOM 2317 N ALA B 64 7.114 -6.200 -6.065 1.00 0.00 N ATOM 2318 CA ALA B 64 7.783 -4.971 -6.475 1.00 0.00 C ATOM 2319 C ALA B 64 8.264 -4.185 -5.258 1.00 0.00 C ATOM 2320 O ALA B 64 9.364 -3.629 -5.260 1.00 0.00 O ATOM 2321 CB ALA B 64 6.851 -4.118 -7.326 1.00 0.00 C ATOM 0 H ALA B 64 6.126 -6.244 -6.313 1.00 0.00 H new ATOM 0 HA ALA B 64 8.654 -5.238 -7.074 1.00 0.00 H new ATOM 0 HB1 ALA B 64 7.365 -3.204 -7.624 1.00 0.00 H new ATOM 0 HB2 ALA B 64 6.558 -4.676 -8.215 1.00 0.00 H new ATOM 0 HB3 ALA B 64 5.963 -3.863 -6.748 1.00 0.00 H new ATOM 2327 N LEU B 65 7.435 -4.157 -4.220 1.00 0.00 N ATOM 2328 CA LEU B 65 7.772 -3.475 -2.976 1.00 0.00 C ATOM 2329 C LEU B 65 9.030 -4.081 -2.359 1.00 0.00 C ATOM 2330 O LEU B 65 9.936 -3.362 -1.944 1.00 0.00 O ATOM 2331 CB LEU B 65 6.603 -3.569 -1.993 1.00 0.00 C ATOM 2332 CG LEU B 65 6.776 -2.796 -0.681 1.00 0.00 C ATOM 2333 CD1 LEU B 65 7.076 -1.332 -0.958 1.00 0.00 C ATOM 2334 CD2 LEU B 65 5.529 -2.923 0.181 1.00 0.00 C ATOM 0 H LEU B 65 6.518 -4.603 -4.217 1.00 0.00 H new ATOM 0 HA LEU B 65 7.966 -2.425 -3.195 1.00 0.00 H new ATOM 0 HB2 LEU B 65 5.703 -3.207 -2.491 1.00 0.00 H new ATOM 0 HB3 LEU B 65 6.435 -4.619 -1.755 1.00 0.00 H new ATOM 0 HG LEU B 65 7.619 -3.226 -0.140 1.00 0.00 H new ATOM 0 HD11 LEU B 65 7.195 -0.800 -0.014 1.00 0.00 H new ATOM 0 HD12 LEU B 65 7.995 -1.252 -1.538 1.00 0.00 H new ATOM 0 HD13 LEU B 65 6.253 -0.892 -1.521 1.00 0.00 H new ATOM 0 HD21 LEU B 65 5.670 -2.368 1.108 1.00 0.00 H new ATOM 0 HD22 LEU B 65 4.672 -2.519 -0.357 1.00 0.00 H new ATOM 0 HD23 LEU B 65 5.351 -3.974 0.410 1.00 0.00 H new ATOM 2346 N MET B 66 9.086 -5.408 -2.323 1.00 0.00 N ATOM 2347 CA MET B 66 10.244 -6.110 -1.770 1.00 0.00 C ATOM 2348 C MET B 66 11.466 -5.910 -2.658 1.00 0.00 C ATOM 2349 O MET B 66 12.598 -5.867 -2.179 1.00 0.00 O ATOM 2350 CB MET B 66 9.956 -7.609 -1.627 1.00 0.00 C ATOM 2351 CG MET B 66 8.758 -7.923 -0.748 1.00 0.00 C ATOM 2352 SD MET B 66 8.942 -7.305 0.934 1.00 0.00 S ATOM 2353 CE MET B 66 7.325 -7.693 1.597 1.00 0.00 C ATOM 0 H MET B 66 8.347 -6.020 -2.669 1.00 0.00 H new ATOM 0 HA MET B 66 10.446 -5.693 -0.783 1.00 0.00 H new ATOM 0 HB2 MET B 66 9.789 -8.033 -2.617 1.00 0.00 H new ATOM 0 HB3 MET B 66 10.837 -8.101 -1.214 1.00 0.00 H new ATOM 0 HG2 MET B 66 7.863 -7.489 -1.193 1.00 0.00 H new ATOM 0 HG3 MET B 66 8.608 -9.002 -0.719 1.00 0.00 H new ATOM 0 HE1 MET B 66 7.392 -7.799 2.680 1.00 0.00 H new ATOM 0 HE2 MET B 66 6.630 -6.890 1.353 1.00 0.00 H new ATOM 0 HE3 MET B 66 6.968 -8.626 1.162 1.00 0.00 H new ATOM 2363 N SER B 67 11.228 -5.779 -3.954 1.00 0.00 N ATOM 2364 CA SER B 67 12.302 -5.607 -4.916 1.00 0.00 C ATOM 2365 C SER B 67 12.981 -4.252 -4.733 1.00 0.00 C ATOM 2366 O SER B 67 14.186 -4.120 -4.959 1.00 0.00 O ATOM 2367 CB SER B 67 11.757 -5.742 -6.340 1.00 0.00 C ATOM 2368 OG SER B 67 12.802 -5.711 -7.299 1.00 0.00 O ATOM 0 H SER B 67 10.294 -5.789 -4.364 1.00 0.00 H new ATOM 0 HA SER B 67 13.046 -6.385 -4.747 1.00 0.00 H new ATOM 0 HB2 SER B 67 11.204 -6.677 -6.432 1.00 0.00 H new ATOM 0 HB3 SER B 67 11.053 -4.934 -6.540 1.00 0.00 H new ATOM 0 HG SER B 67 12.423 -5.801 -8.198 1.00 0.00 H new ATOM 2374 N SER B 68 12.215 -3.253 -4.310 1.00 0.00 N ATOM 2375 CA SER B 68 12.753 -1.909 -4.141 1.00 0.00 C ATOM 2376 C SER B 68 12.967 -1.602 -2.658 1.00 0.00 C ATOM 2377 O SER B 68 13.200 -0.454 -2.273 1.00 0.00 O ATOM 2378 CB SER B 68 11.809 -0.880 -4.779 1.00 0.00 C ATOM 2379 OG SER B 68 12.437 0.386 -4.911 1.00 0.00 O ATOM 0 H SER B 68 11.226 -3.347 -4.079 1.00 0.00 H new ATOM 0 HA SER B 68 13.719 -1.850 -4.642 1.00 0.00 H new ATOM 0 HB2 SER B 68 11.491 -1.234 -5.760 1.00 0.00 H new ATOM 0 HB3 SER B 68 10.911 -0.781 -4.169 1.00 0.00 H new ATOM 0 HG SER B 68 12.968 0.573 -4.109 1.00 0.00 H new ATOM 2385 N LEU B 69 12.904 -2.641 -1.836 1.00 0.00 N ATOM 2386 CA LEU B 69 13.072 -2.494 -0.398 1.00 0.00 C ATOM 2387 C LEU B 69 14.548 -2.402 -0.031 1.00 0.00 C ATOM 2388 O LEU B 69 15.369 -3.171 -0.535 1.00 0.00 O ATOM 2389 CB LEU B 69 12.435 -3.680 0.327 1.00 0.00 C ATOM 2390 CG LEU B 69 12.581 -3.668 1.849 1.00 0.00 C ATOM 2391 CD1 LEU B 69 11.801 -2.516 2.450 1.00 0.00 C ATOM 2392 CD2 LEU B 69 12.132 -4.994 2.440 1.00 0.00 C ATOM 0 H LEU B 69 12.737 -3.599 -2.143 1.00 0.00 H new ATOM 0 HA LEU B 69 12.579 -1.572 -0.090 1.00 0.00 H new ATOM 0 HB2 LEU B 69 11.374 -3.709 0.080 1.00 0.00 H new ATOM 0 HB3 LEU B 69 12.876 -4.600 -0.057 1.00 0.00 H new ATOM 0 HG LEU B 69 13.634 -3.528 2.093 1.00 0.00 H new ATOM 0 HD11 LEU B 69 11.917 -2.524 3.534 1.00 0.00 H new ATOM 0 HD12 LEU B 69 12.178 -1.574 2.052 1.00 0.00 H new ATOM 0 HD13 LEU B 69 10.746 -2.620 2.197 1.00 0.00 H new ATOM 0 HD21 LEU B 69 12.244 -4.966 3.524 1.00 0.00 H new ATOM 0 HD22 LEU B 69 11.086 -5.170 2.187 1.00 0.00 H new ATOM 0 HD23 LEU B 69 12.744 -5.799 2.033 1.00 0.00 H new