USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 666 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 50 TYR OH : rot -129:sc= 0.162 USER MOD Set 1.2: B 31 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 31 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: B 50 TYR OH : rot 150:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -173:sc= -1.15 (180deg=-1.24) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -160:sc= -0.97 (180deg=-1.5!) USER MOD Single : A 26 THR OG1 : rot 82:sc= 0.243 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot 20:sc= -4.02! USER MOD Single : A 34 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0527) USER MOD Single : A 35 ASN : amide:sc= 0.845 K(o=0.85,f=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc=-0.000807 K(o=-0.00081,f=-2.5!) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.0207 USER MOD Single : A 41 GLN :FLIP amide:sc= -1.35 F(o=-2.7!,f=-1.4) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.0436 F(o=-1.8!,f=-0.044) USER MOD Single : B 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 20 MET CE :methyl -155:sc= -1.18 (180deg=-1.25) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 LYS NZ :NH3+ -164:sc= -1.02 (180deg=-1.75!) USER MOD Single : B 26 THR OG1 : rot 81:sc= 0.22 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 CYS SG : rot 31:sc= -3.91! USER MOD Single : B 34 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0483) USER MOD Single : B 35 ASN : amide:sc= 0.872 K(o=0.87,f=0) USER MOD Single : B 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 38 GLN : amide:sc= 0 K(o=0,f=-2.6!) USER MOD Single : B 40 THR OG1 : rot 180:sc=-0.00221 USER MOD Single : B 41 GLN :FLIP amide:sc= -1.33 F(o=-2.6!,f=-1.3) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 52 GLN :FLIP amide:sc= -0.0451 F(o=-1.9!,f=-0.045) USER MOD ----------------------------------------------------------------- ATOM 62 N ALA A 14 -8.312 6.623 8.820 1.00 0.00 N ATOM 63 CA ALA A 14 -8.335 5.396 9.585 1.00 0.00 C ATOM 64 C ALA A 14 -6.910 4.978 9.877 1.00 0.00 C ATOM 65 O ALA A 14 -5.972 5.495 9.273 1.00 0.00 O ATOM 66 CB ALA A 14 -9.046 4.301 8.817 1.00 0.00 C ATOM 0 HA ALA A 14 -8.875 5.563 10.517 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.052 3.386 9.410 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.072 4.608 8.612 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.526 4.120 7.876 1.00 0.00 H new ATOM 72 N VAL A 15 -6.741 4.047 10.788 1.00 0.00 N ATOM 73 CA VAL A 15 -5.411 3.584 11.138 1.00 0.00 C ATOM 74 C VAL A 15 -5.176 2.223 10.524 1.00 0.00 C ATOM 75 O VAL A 15 -6.124 1.525 10.155 1.00 0.00 O ATOM 76 CB VAL A 15 -5.207 3.479 12.658 1.00 0.00 C ATOM 77 CG1 VAL A 15 -3.728 3.513 13.017 1.00 0.00 C ATOM 78 CG2 VAL A 15 -5.969 4.570 13.386 1.00 0.00 C ATOM 0 H VAL A 15 -7.500 3.596 11.299 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.702 4.317 10.753 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.606 2.518 12.982 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.614 3.437 14.098 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.218 2.677 12.539 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.291 4.450 12.671 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.807 4.472 14.460 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.615 5.546 13.053 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.033 4.477 13.169 1.00 0.00 H new ATOM 88 N PHE A 16 -3.920 1.844 10.423 1.00 0.00 N ATOM 89 CA PHE A 16 -3.563 0.570 9.848 1.00 0.00 C ATOM 90 C PHE A 16 -2.265 0.078 10.464 1.00 0.00 C ATOM 91 O PHE A 16 -1.249 0.769 10.414 1.00 0.00 O ATOM 92 CB PHE A 16 -3.424 0.702 8.333 1.00 0.00 C ATOM 93 CG PHE A 16 -3.662 -0.583 7.605 1.00 0.00 C ATOM 94 CD1 PHE A 16 -4.800 -1.331 7.863 1.00 0.00 C ATOM 95 CD2 PHE A 16 -2.763 -1.040 6.657 1.00 0.00 C ATOM 96 CE1 PHE A 16 -5.035 -2.511 7.190 1.00 0.00 C ATOM 97 CE2 PHE A 16 -2.996 -2.221 5.982 1.00 0.00 C ATOM 98 CZ PHE A 16 -4.131 -2.957 6.248 1.00 0.00 C ATOM 0 H PHE A 16 -3.127 2.405 10.734 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.348 -0.156 10.059 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.129 1.451 7.974 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.424 1.066 8.097 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.510 -0.986 8.599 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.872 -0.468 6.444 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.925 -3.085 7.400 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.288 -2.569 5.244 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.312 -3.881 5.720 1.00 0.00 H new ATOM 108 N GLY A 17 -2.317 -1.099 11.063 1.00 0.00 N ATOM 109 CA GLY A 17 -1.153 -1.655 11.722 1.00 0.00 C ATOM 110 C GLY A 17 -0.899 -3.082 11.294 1.00 0.00 C ATOM 111 O GLY A 17 -1.472 -4.018 11.853 1.00 0.00 O ATOM 0 H GLY A 17 -3.151 -1.685 11.106 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.279 -1.045 11.493 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.294 -1.618 12.802 1.00 0.00 H new ATOM 115 N ILE A 18 -0.041 -3.256 10.301 1.00 0.00 N ATOM 116 CA ILE A 18 0.186 -4.566 9.714 1.00 0.00 C ATOM 117 C ILE A 18 1.656 -4.952 9.757 1.00 0.00 C ATOM 118 O ILE A 18 2.514 -4.142 10.113 1.00 0.00 O ATOM 119 CB ILE A 18 -0.291 -4.608 8.256 1.00 0.00 C ATOM 120 CG1 ILE A 18 0.416 -3.533 7.424 1.00 0.00 C ATOM 121 CG2 ILE A 18 -1.795 -4.420 8.210 1.00 0.00 C ATOM 122 CD1 ILE A 18 0.180 -3.662 5.939 1.00 0.00 C ATOM 0 H ILE A 18 0.510 -2.505 9.885 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.387 -5.277 10.308 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.041 -5.579 7.827 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.077 -2.551 7.753 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.487 -3.582 7.618 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.134 -4.450 7.174 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.279 -5.218 8.773 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.055 -3.457 8.649 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.711 -2.867 5.416 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.545 -4.630 5.595 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.887 -3.582 5.732 1.00 0.00 H new ATOM 134 N TYR A 19 1.937 -6.194 9.385 1.00 0.00 N ATOM 135 CA TYR A 19 3.301 -6.689 9.337 1.00 0.00 C ATOM 136 C TYR A 19 3.679 -7.036 7.901 1.00 0.00 C ATOM 137 O TYR A 19 3.344 -8.110 7.397 1.00 0.00 O ATOM 138 CB TYR A 19 3.463 -7.914 10.242 1.00 0.00 C ATOM 139 CG TYR A 19 3.101 -7.653 11.688 1.00 0.00 C ATOM 140 CD1 TYR A 19 3.888 -6.827 12.482 1.00 0.00 C ATOM 141 CD2 TYR A 19 1.976 -8.235 12.263 1.00 0.00 C ATOM 142 CE1 TYR A 19 3.563 -6.586 13.802 1.00 0.00 C ATOM 143 CE2 TYR A 19 1.646 -7.997 13.585 1.00 0.00 C ATOM 144 CZ TYR A 19 2.445 -7.171 14.348 1.00 0.00 C ATOM 145 OH TYR A 19 2.120 -6.922 15.663 1.00 0.00 O ATOM 0 H TYR A 19 1.232 -6.878 9.111 1.00 0.00 H new ATOM 0 HA TYR A 19 3.968 -5.907 9.699 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.839 -8.722 9.860 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.496 -8.258 10.192 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.768 -6.366 12.059 1.00 0.00 H new ATOM 0 HD2 TYR A 19 1.350 -8.883 11.668 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.185 -5.940 14.404 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.768 -8.455 14.017 1.00 0.00 H new ATOM 0 HH TYR A 19 1.302 -7.409 15.896 1.00 0.00 H new ATOM 155 N MET A 20 4.375 -6.116 7.256 1.00 0.00 N ATOM 156 CA MET A 20 4.741 -6.256 5.847 1.00 0.00 C ATOM 157 C MET A 20 6.243 -6.482 5.709 1.00 0.00 C ATOM 158 O MET A 20 6.991 -6.240 6.655 1.00 0.00 O ATOM 159 CB MET A 20 4.307 -5.006 5.062 1.00 0.00 C ATOM 160 CG MET A 20 4.959 -3.713 5.536 1.00 0.00 C ATOM 161 SD MET A 20 4.150 -2.237 4.878 1.00 0.00 S ATOM 162 CE MET A 20 4.427 -2.430 3.118 1.00 0.00 C ATOM 0 H MET A 20 4.704 -5.252 7.687 1.00 0.00 H new ATOM 0 HA MET A 20 4.225 -7.123 5.433 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.542 -5.153 4.008 1.00 0.00 H new ATOM 0 HB3 MET A 20 3.224 -4.902 5.136 1.00 0.00 H new ATOM 0 HG2 MET A 20 4.937 -3.679 6.625 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.008 -3.710 5.238 1.00 0.00 H new ATOM 0 HE1 MET A 20 4.093 -1.533 2.597 1.00 0.00 H new ATOM 0 HE2 MET A 20 5.490 -2.583 2.932 1.00 0.00 H new ATOM 0 HE3 MET A 20 3.867 -3.291 2.754 1.00 0.00 H new ATOM 172 N ASP A 21 6.684 -6.951 4.542 1.00 0.00 N ATOM 173 CA ASP A 21 8.099 -7.241 4.325 1.00 0.00 C ATOM 174 C ASP A 21 8.951 -5.989 4.437 1.00 0.00 C ATOM 175 O ASP A 21 8.474 -4.871 4.215 1.00 0.00 O ATOM 176 CB ASP A 21 8.354 -7.891 2.964 1.00 0.00 C ATOM 177 CG ASP A 21 8.133 -9.395 2.953 1.00 0.00 C ATOM 178 OD1 ASP A 21 9.074 -10.145 3.288 1.00 0.00 O ATOM 179 OD2 ASP A 21 7.025 -9.832 2.586 1.00 0.00 O ATOM 0 H ASP A 21 6.085 -7.137 3.737 1.00 0.00 H new ATOM 0 HA ASP A 21 8.382 -7.943 5.109 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.699 -7.431 2.224 1.00 0.00 H new ATOM 0 HB3 ASP A 21 9.379 -7.681 2.658 1.00 0.00 H new ATOM 184 N LYS A 22 10.218 -6.183 4.758 1.00 0.00 N ATOM 185 CA LYS A 22 11.129 -5.075 4.935 1.00 0.00 C ATOM 186 C LYS A 22 11.523 -4.493 3.595 1.00 0.00 C ATOM 187 O LYS A 22 11.143 -3.379 3.284 1.00 0.00 O ATOM 188 CB LYS A 22 12.381 -5.515 5.695 1.00 0.00 C ATOM 189 CG LYS A 22 13.435 -4.426 5.789 1.00 0.00 C ATOM 190 CD LYS A 22 14.723 -4.933 6.411 1.00 0.00 C ATOM 191 CE LYS A 22 15.818 -3.882 6.340 1.00 0.00 C ATOM 192 NZ LYS A 22 17.086 -4.358 6.946 1.00 0.00 N ATOM 0 H LYS A 22 10.637 -7.102 4.901 1.00 0.00 H new ATOM 0 HA LYS A 22 10.617 -4.310 5.519 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.098 -5.826 6.701 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.811 -6.387 5.201 1.00 0.00 H new ATOM 0 HG2 LYS A 22 13.643 -4.036 4.793 1.00 0.00 H new ATOM 0 HG3 LYS A 22 13.048 -3.597 6.382 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.545 -5.207 7.451 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.048 -5.836 5.895 1.00 0.00 H new ATOM 0 HE2 LYS A 22 15.993 -3.611 5.299 1.00 0.00 H new ATOM 0 HE3 LYS A 22 15.488 -2.979 6.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 17.806 -3.611 6.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 16.926 -4.593 7.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 17.416 -5.205 6.440 1.00 0.00 H new ATOM 206 N ASP A 23 12.246 -5.275 2.797 1.00 0.00 N ATOM 207 CA ASP A 23 12.789 -4.809 1.514 1.00 0.00 C ATOM 208 C ASP A 23 11.737 -4.098 0.669 1.00 0.00 C ATOM 209 O ASP A 23 12.044 -3.170 -0.067 1.00 0.00 O ATOM 210 CB ASP A 23 13.374 -5.983 0.726 1.00 0.00 C ATOM 211 CG ASP A 23 13.874 -5.570 -0.644 1.00 0.00 C ATOM 212 OD1 ASP A 23 14.954 -4.949 -0.722 1.00 0.00 O ATOM 213 OD2 ASP A 23 13.183 -5.856 -1.645 1.00 0.00 O ATOM 0 H ASP A 23 12.474 -6.245 3.016 1.00 0.00 H new ATOM 0 HA ASP A 23 13.576 -4.090 1.741 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.195 -6.423 1.292 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.614 -6.756 0.614 1.00 0.00 H new ATOM 218 N LEU A 24 10.497 -4.525 0.807 1.00 0.00 N ATOM 219 CA LEU A 24 9.391 -3.957 0.070 1.00 0.00 C ATOM 220 C LEU A 24 8.946 -2.628 0.695 1.00 0.00 C ATOM 221 O LEU A 24 8.917 -1.600 0.016 1.00 0.00 O ATOM 222 CB LEU A 24 8.278 -5.011 0.036 1.00 0.00 C ATOM 223 CG LEU A 24 6.903 -4.599 -0.486 1.00 0.00 C ATOM 224 CD1 LEU A 24 6.063 -4.143 0.684 1.00 0.00 C ATOM 225 CD2 LEU A 24 7.002 -3.519 -1.560 1.00 0.00 C ATOM 0 H LEU A 24 10.230 -5.280 1.438 1.00 0.00 H new ATOM 0 HA LEU A 24 9.677 -3.712 -0.953 1.00 0.00 H new ATOM 0 HB2 LEU A 24 8.628 -5.844 -0.573 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.148 -5.390 1.050 1.00 0.00 H new ATOM 0 HG LEU A 24 6.429 -5.456 -0.964 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.076 -3.845 0.329 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.960 -4.960 1.398 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.546 -3.295 1.170 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.002 -3.255 -1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.488 -2.636 -1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.587 -3.894 -2.400 1.00 0.00 H new ATOM 237 N LYS A 25 8.619 -2.639 1.984 1.00 0.00 N ATOM 238 CA LYS A 25 8.224 -1.419 2.679 1.00 0.00 C ATOM 239 C LYS A 25 9.379 -0.421 2.669 1.00 0.00 C ATOM 240 O LYS A 25 9.187 0.792 2.606 1.00 0.00 O ATOM 241 CB LYS A 25 7.865 -1.745 4.125 1.00 0.00 C ATOM 242 CG LYS A 25 7.195 -0.601 4.857 1.00 0.00 C ATOM 243 CD LYS A 25 7.081 -0.877 6.348 1.00 0.00 C ATOM 244 CE LYS A 25 8.311 -0.402 7.115 1.00 0.00 C ATOM 245 NZ LYS A 25 9.542 -1.158 6.754 1.00 0.00 N ATOM 0 H LYS A 25 8.620 -3.476 2.566 1.00 0.00 H new ATOM 0 HA LYS A 25 7.361 -0.987 2.172 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.204 -2.611 4.140 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.771 -2.027 4.661 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.764 0.315 4.699 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.201 -0.435 4.441 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.194 -0.380 6.742 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.945 -1.946 6.509 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.470 0.658 6.918 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.128 -0.503 8.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.250 -1.049 7.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.310 -2.165 6.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.927 -0.788 5.862 1.00 0.00 H new ATOM 259 N THR A 26 10.579 -0.968 2.724 1.00 0.00 N ATOM 260 CA THR A 26 11.802 -0.186 2.790 1.00 0.00 C ATOM 261 C THR A 26 12.149 0.372 1.416 1.00 0.00 C ATOM 262 O THR A 26 12.676 1.478 1.296 1.00 0.00 O ATOM 263 CB THR A 26 12.965 -1.032 3.356 1.00 0.00 C ATOM 264 OG1 THR A 26 12.681 -1.375 4.722 1.00 0.00 O ATOM 265 CG2 THR A 26 14.293 -0.289 3.282 1.00 0.00 C ATOM 0 H THR A 26 10.735 -1.976 2.724 1.00 0.00 H new ATOM 0 HA THR A 26 11.640 0.652 3.468 1.00 0.00 H new ATOM 0 HB THR A 26 13.054 -1.933 2.749 1.00 0.00 H new ATOM 0 HG1 THR A 26 12.078 -2.147 4.747 1.00 0.00 H new ATOM 0 HG21 THR A 26 15.085 -0.918 3.690 1.00 0.00 H new ATOM 0 HG22 THR A 26 14.518 -0.049 2.243 1.00 0.00 H new ATOM 0 HG23 THR A 26 14.227 0.632 3.861 1.00 0.00 H new ATOM 273 N ARG A 27 11.823 -0.393 0.390 1.00 0.00 N ATOM 274 CA ARG A 27 11.915 0.075 -0.986 1.00 0.00 C ATOM 275 C ARG A 27 11.131 1.372 -1.132 1.00 0.00 C ATOM 276 O ARG A 27 11.643 2.390 -1.599 1.00 0.00 O ATOM 277 CB ARG A 27 11.352 -1.001 -1.923 1.00 0.00 C ATOM 278 CG ARG A 27 11.008 -0.513 -3.315 1.00 0.00 C ATOM 279 CD ARG A 27 12.242 -0.105 -4.112 1.00 0.00 C ATOM 280 NE ARG A 27 13.144 -1.235 -4.345 1.00 0.00 N ATOM 281 CZ ARG A 27 14.304 -1.155 -4.992 1.00 0.00 C ATOM 282 NH1 ARG A 27 14.685 -0.018 -5.561 1.00 0.00 N ATOM 283 NH2 ARG A 27 15.078 -2.226 -5.090 1.00 0.00 N ATOM 0 H ARG A 27 11.488 -1.352 0.483 1.00 0.00 H new ATOM 0 HA ARG A 27 12.956 0.263 -1.248 1.00 0.00 H new ATOM 0 HB2 ARG A 27 12.080 -1.808 -2.006 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.456 -1.425 -1.470 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.477 -1.299 -3.851 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.330 0.337 -3.241 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.933 0.315 -5.069 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.776 0.680 -3.577 1.00 0.00 H new ATOM 0 HE ARG A 27 12.863 -2.148 -3.986 1.00 0.00 H new ATOM 0 HH11 ARG A 27 14.086 0.806 -5.505 1.00 0.00 H new ATOM 0 HH12 ARG A 27 15.576 0.032 -6.054 1.00 0.00 H new ATOM 0 HH21 ARG A 27 14.784 -3.108 -4.670 1.00 0.00 H new ATOM 0 HH22 ARG A 27 15.968 -2.169 -5.585 1.00 0.00 H new ATOM 297 N LEU A 28 9.882 1.310 -0.714 1.00 0.00 N ATOM 298 CA LEU A 28 9.002 2.466 -0.689 1.00 0.00 C ATOM 299 C LEU A 28 9.540 3.560 0.243 1.00 0.00 C ATOM 300 O LEU A 28 9.403 4.748 -0.049 1.00 0.00 O ATOM 301 CB LEU A 28 7.611 2.002 -0.258 1.00 0.00 C ATOM 302 CG LEU A 28 6.473 3.004 -0.399 1.00 0.00 C ATOM 303 CD1 LEU A 28 6.483 3.972 0.758 1.00 0.00 C ATOM 304 CD2 LEU A 28 6.563 3.735 -1.727 1.00 0.00 C ATOM 0 H LEU A 28 9.445 0.451 -0.380 1.00 0.00 H new ATOM 0 HA LEU A 28 8.949 2.907 -1.684 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.355 1.115 -0.838 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.665 1.695 0.787 1.00 0.00 H new ATOM 0 HG LEU A 28 5.527 2.463 -0.382 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.664 4.683 0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.361 3.424 1.692 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.431 4.510 0.774 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.741 4.446 -1.807 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.511 4.269 -1.785 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.502 3.015 -2.543 1.00 0.00 H new ATOM 316 N LYS A 29 10.139 3.168 1.365 1.00 0.00 N ATOM 317 CA LYS A 29 10.759 4.130 2.280 1.00 0.00 C ATOM 318 C LYS A 29 11.786 4.975 1.540 1.00 0.00 C ATOM 319 O LYS A 29 11.847 6.193 1.708 1.00 0.00 O ATOM 320 CB LYS A 29 11.404 3.400 3.474 1.00 0.00 C ATOM 321 CG LYS A 29 12.258 4.277 4.387 1.00 0.00 C ATOM 322 CD LYS A 29 13.693 4.387 3.884 1.00 0.00 C ATOM 323 CE LYS A 29 14.502 5.371 4.711 1.00 0.00 C ATOM 324 NZ LYS A 29 15.898 5.490 4.220 1.00 0.00 N ATOM 0 H LYS A 29 10.209 2.195 1.664 1.00 0.00 H new ATOM 0 HA LYS A 29 9.986 4.793 2.667 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.614 2.944 4.070 1.00 0.00 H new ATOM 0 HB3 LYS A 29 12.024 2.589 3.092 1.00 0.00 H new ATOM 0 HG2 LYS A 29 11.818 5.272 4.451 1.00 0.00 H new ATOM 0 HG3 LYS A 29 12.257 3.862 5.395 1.00 0.00 H new ATOM 0 HD2 LYS A 29 14.167 3.406 3.918 1.00 0.00 H new ATOM 0 HD3 LYS A 29 13.690 4.704 2.841 1.00 0.00 H new ATOM 0 HE2 LYS A 29 14.022 6.349 4.683 1.00 0.00 H new ATOM 0 HE3 LYS A 29 14.510 5.050 5.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 16.417 6.171 4.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 16.364 4.562 4.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 15.892 5.821 3.234 1.00 0.00 H new ATOM 338 N VAL A 30 12.577 4.317 0.712 1.00 0.00 N ATOM 339 CA VAL A 30 13.592 4.987 -0.082 1.00 0.00 C ATOM 340 C VAL A 30 12.950 5.890 -1.116 1.00 0.00 C ATOM 341 O VAL A 30 13.459 6.964 -1.437 1.00 0.00 O ATOM 342 CB VAL A 30 14.501 3.954 -0.757 1.00 0.00 C ATOM 343 CG1 VAL A 30 15.545 4.624 -1.637 1.00 0.00 C ATOM 344 CG2 VAL A 30 15.150 3.093 0.308 1.00 0.00 C ATOM 0 H VAL A 30 12.535 3.308 0.571 1.00 0.00 H new ATOM 0 HA VAL A 30 14.199 5.606 0.579 1.00 0.00 H new ATOM 0 HB VAL A 30 13.898 3.322 -1.410 1.00 0.00 H new ATOM 0 HG11 VAL A 30 16.173 3.863 -2.100 1.00 0.00 H new ATOM 0 HG12 VAL A 30 15.048 5.206 -2.413 1.00 0.00 H new ATOM 0 HG13 VAL A 30 16.164 5.284 -1.029 1.00 0.00 H new ATOM 0 HG21 VAL A 30 15.798 2.356 -0.165 1.00 0.00 H new ATOM 0 HG22 VAL A 30 15.741 3.722 0.974 1.00 0.00 H new ATOM 0 HG23 VAL A 30 14.378 2.581 0.883 1.00 0.00 H new ATOM 354 N TYR A 31 11.806 5.461 -1.598 1.00 0.00 N ATOM 355 CA TYR A 31 11.018 6.245 -2.517 1.00 0.00 C ATOM 356 C TYR A 31 10.537 7.518 -1.828 1.00 0.00 C ATOM 357 O TYR A 31 10.522 8.601 -2.419 1.00 0.00 O ATOM 358 CB TYR A 31 9.834 5.409 -3.001 1.00 0.00 C ATOM 359 CG TYR A 31 8.901 6.149 -3.916 1.00 0.00 C ATOM 360 CD1 TYR A 31 9.244 6.392 -5.232 1.00 0.00 C ATOM 361 CD2 TYR A 31 7.680 6.609 -3.456 1.00 0.00 C ATOM 362 CE1 TYR A 31 8.397 7.077 -6.069 1.00 0.00 C ATOM 363 CE2 TYR A 31 6.824 7.291 -4.287 1.00 0.00 C ATOM 364 CZ TYR A 31 7.186 7.527 -5.594 1.00 0.00 C ATOM 365 OH TYR A 31 6.339 8.220 -6.424 1.00 0.00 O ATOM 0 H TYR A 31 11.396 4.557 -1.363 1.00 0.00 H new ATOM 0 HA TYR A 31 11.624 6.530 -3.377 1.00 0.00 H new ATOM 0 HB2 TYR A 31 10.212 4.527 -3.519 1.00 0.00 H new ATOM 0 HB3 TYR A 31 9.274 5.055 -2.136 1.00 0.00 H new ATOM 0 HD1 TYR A 31 10.192 6.038 -5.608 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.396 6.430 -2.430 1.00 0.00 H new ATOM 0 HE1 TYR A 31 8.680 7.262 -7.095 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.872 7.640 -3.916 1.00 0.00 H new ATOM 0 HH TYR A 31 5.527 8.464 -5.933 1.00 0.00 H new ATOM 375 N CYS A 32 10.174 7.381 -0.559 1.00 0.00 N ATOM 376 CA CYS A 32 9.711 8.513 0.237 1.00 0.00 C ATOM 377 C CYS A 32 10.870 9.411 0.647 1.00 0.00 C ATOM 378 O CYS A 32 10.694 10.599 0.882 1.00 0.00 O ATOM 379 CB CYS A 32 8.969 8.022 1.476 1.00 0.00 C ATOM 380 SG CYS A 32 7.505 7.042 1.102 1.00 0.00 S ATOM 0 H CYS A 32 10.191 6.494 -0.056 1.00 0.00 H new ATOM 0 HA CYS A 32 9.029 9.098 -0.380 1.00 0.00 H new ATOM 0 HB2 CYS A 32 9.649 7.425 2.083 1.00 0.00 H new ATOM 0 HB3 CYS A 32 8.676 8.882 2.078 1.00 0.00 H new ATOM 0 HG CYS A 32 7.585 6.589 -0.114 1.00 0.00 H new ATOM 386 N ALA A 33 12.053 8.837 0.733 1.00 0.00 N ATOM 387 CA ALA A 33 13.239 9.592 1.091 1.00 0.00 C ATOM 388 C ALA A 33 13.751 10.372 -0.112 1.00 0.00 C ATOM 389 O ALA A 33 14.206 11.507 0.010 1.00 0.00 O ATOM 390 CB ALA A 33 14.312 8.654 1.614 1.00 0.00 C ATOM 0 H ALA A 33 12.220 7.846 0.559 1.00 0.00 H new ATOM 0 HA ALA A 33 12.983 10.302 1.877 1.00 0.00 H new ATOM 0 HB1 ALA A 33 15.199 9.229 1.881 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.940 8.131 2.495 1.00 0.00 H new ATOM 0 HB3 ALA A 33 14.568 7.928 0.842 1.00 0.00 H new ATOM 396 N LYS A 34 13.647 9.753 -1.278 1.00 0.00 N ATOM 397 CA LYS A 34 14.152 10.335 -2.506 1.00 0.00 C ATOM 398 C LYS A 34 13.211 11.403 -3.050 1.00 0.00 C ATOM 399 O LYS A 34 13.658 12.434 -3.551 1.00 0.00 O ATOM 400 CB LYS A 34 14.371 9.225 -3.540 1.00 0.00 C ATOM 401 CG LYS A 34 15.054 9.682 -4.815 1.00 0.00 C ATOM 402 CD LYS A 34 15.376 8.498 -5.712 1.00 0.00 C ATOM 403 CE LYS A 34 16.070 8.929 -6.993 1.00 0.00 C ATOM 404 NZ LYS A 34 15.177 9.725 -7.875 1.00 0.00 N ATOM 0 H LYS A 34 13.212 8.838 -1.397 1.00 0.00 H new ATOM 0 HA LYS A 34 15.102 10.825 -2.293 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.968 8.435 -3.086 1.00 0.00 H new ATOM 0 HB3 LYS A 34 13.406 8.788 -3.796 1.00 0.00 H new ATOM 0 HG2 LYS A 34 14.409 10.382 -5.347 1.00 0.00 H new ATOM 0 HG3 LYS A 34 15.971 10.217 -4.569 1.00 0.00 H new ATOM 0 HD2 LYS A 34 16.013 7.797 -5.173 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.456 7.968 -5.958 1.00 0.00 H new ATOM 0 HE2 LYS A 34 16.953 9.519 -6.745 1.00 0.00 H new ATOM 0 HE3 LYS A 34 16.417 8.047 -7.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.644 9.882 -8.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.286 9.209 -8.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.975 10.642 -7.428 1.00 0.00 H new ATOM 418 N ASN A 35 11.912 11.170 -2.940 1.00 0.00 N ATOM 419 CA ASN A 35 10.928 12.141 -3.407 1.00 0.00 C ATOM 420 C ASN A 35 10.484 13.036 -2.268 1.00 0.00 C ATOM 421 O ASN A 35 9.649 13.923 -2.450 1.00 0.00 O ATOM 422 CB ASN A 35 9.706 11.436 -3.996 1.00 0.00 C ATOM 423 CG ASN A 35 10.022 10.693 -5.276 1.00 0.00 C ATOM 424 OD1 ASN A 35 9.927 11.250 -6.369 1.00 0.00 O ATOM 425 ND2 ASN A 35 10.395 9.430 -5.155 1.00 0.00 N ATOM 0 H ASN A 35 11.514 10.323 -2.534 1.00 0.00 H new ATOM 0 HA ASN A 35 11.400 12.746 -4.182 1.00 0.00 H new ATOM 0 HB2 ASN A 35 9.307 10.735 -3.263 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.926 12.172 -4.191 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.616 8.882 -5.986 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.462 9.004 -4.231 1.00 0.00 H new ATOM 432 N ASN A 36 11.056 12.792 -1.089 1.00 0.00 N ATOM 433 CA ASN A 36 10.656 13.495 0.132 1.00 0.00 C ATOM 434 C ASN A 36 9.166 13.285 0.416 1.00 0.00 C ATOM 435 O ASN A 36 8.534 14.082 1.105 1.00 0.00 O ATOM 436 CB ASN A 36 10.975 14.989 0.023 1.00 0.00 C ATOM 437 CG ASN A 36 12.470 15.289 0.077 1.00 0.00 C ATOM 438 OD1 ASN A 36 13.146 15.300 -0.952 1.00 0.00 O ATOM 439 ND2 ASN A 36 13.000 15.550 1.267 1.00 0.00 N ATOM 0 H ASN A 36 11.802 12.109 -0.953 1.00 0.00 H new ATOM 0 HA ASN A 36 11.225 13.080 0.964 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.567 15.374 -0.912 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.475 15.521 0.832 1.00 0.00 H new ATOM 0 HD21 ASN A 36 13.993 15.767 1.346 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.413 15.533 2.101 1.00 0.00 H new ATOM 446 N LEU A 37 8.617 12.200 -0.123 1.00 0.00 N ATOM 447 CA LEU A 37 7.215 11.859 0.073 1.00 0.00 C ATOM 448 C LEU A 37 6.965 11.352 1.483 1.00 0.00 C ATOM 449 O LEU A 37 7.897 11.024 2.217 1.00 0.00 O ATOM 450 CB LEU A 37 6.791 10.787 -0.931 1.00 0.00 C ATOM 451 CG LEU A 37 5.813 11.253 -2.010 1.00 0.00 C ATOM 452 CD1 LEU A 37 6.414 12.385 -2.827 1.00 0.00 C ATOM 453 CD2 LEU A 37 5.423 10.091 -2.910 1.00 0.00 C ATOM 0 H LEU A 37 9.130 11.537 -0.704 1.00 0.00 H new ATOM 0 HA LEU A 37 6.627 12.763 -0.082 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.684 10.395 -1.418 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.337 9.960 -0.385 1.00 0.00 H new ATOM 0 HG LEU A 37 4.914 11.627 -1.521 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.702 12.702 -3.589 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.642 13.226 -2.172 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.330 12.041 -3.307 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.726 10.439 -3.673 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.315 9.687 -3.390 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.948 9.312 -2.313 1.00 0.00 H new ATOM 465 N GLN A 38 5.700 11.296 1.853 1.00 0.00 N ATOM 466 CA GLN A 38 5.306 10.750 3.137 1.00 0.00 C ATOM 467 C GLN A 38 5.076 9.257 2.998 1.00 0.00 C ATOM 468 O GLN A 38 4.416 8.827 2.050 1.00 0.00 O ATOM 469 CB GLN A 38 4.030 11.417 3.636 1.00 0.00 C ATOM 470 CG GLN A 38 4.150 12.915 3.781 1.00 0.00 C ATOM 471 CD GLN A 38 2.827 13.569 4.146 1.00 0.00 C ATOM 472 OE1 GLN A 38 1.757 13.054 3.819 1.00 0.00 O ATOM 473 NE2 GLN A 38 2.883 14.719 4.803 1.00 0.00 N ATOM 0 H GLN A 38 4.924 11.624 1.279 1.00 0.00 H new ATOM 0 HA GLN A 38 6.102 10.938 3.858 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.217 11.191 2.946 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.758 10.987 4.600 1.00 0.00 H new ATOM 0 HG2 GLN A 38 4.890 13.145 4.548 1.00 0.00 H new ATOM 0 HG3 GLN A 38 4.517 13.340 2.847 1.00 0.00 H new ATOM 0 HE21 GLN A 38 3.787 15.117 5.058 1.00 0.00 H new ATOM 0 HE22 GLN A 38 2.022 15.206 5.053 1.00 0.00 H new ATOM 482 N LEU A 39 5.626 8.480 3.921 1.00 0.00 N ATOM 483 CA LEU A 39 5.437 7.026 3.926 1.00 0.00 C ATOM 484 C LEU A 39 3.962 6.670 3.746 1.00 0.00 C ATOM 485 O LEU A 39 3.601 5.889 2.865 1.00 0.00 O ATOM 486 CB LEU A 39 5.957 6.418 5.234 1.00 0.00 C ATOM 487 CG LEU A 39 6.996 5.297 5.086 1.00 0.00 C ATOM 488 CD1 LEU A 39 6.560 4.280 4.048 1.00 0.00 C ATOM 489 CD2 LEU A 39 8.360 5.866 4.734 1.00 0.00 C ATOM 0 H LEU A 39 6.210 8.829 4.681 1.00 0.00 H new ATOM 0 HA LEU A 39 6.004 6.613 3.092 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.395 7.216 5.834 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.107 6.028 5.794 1.00 0.00 H new ATOM 0 HG LEU A 39 7.074 4.788 6.047 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.315 3.498 3.965 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.611 3.837 4.349 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.440 4.773 3.083 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.079 5.053 4.635 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.295 6.410 3.792 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.686 6.544 5.523 1.00 0.00 H new ATOM 501 N THR A 40 3.115 7.275 4.568 1.00 0.00 N ATOM 502 CA THR A 40 1.686 7.019 4.522 1.00 0.00 C ATOM 503 C THR A 40 1.097 7.412 3.174 1.00 0.00 C ATOM 504 O THR A 40 0.373 6.631 2.557 1.00 0.00 O ATOM 505 CB THR A 40 0.962 7.788 5.640 1.00 0.00 C ATOM 506 OG1 THR A 40 1.645 7.586 6.885 1.00 0.00 O ATOM 507 CG2 THR A 40 -0.481 7.333 5.776 1.00 0.00 C ATOM 0 H THR A 40 3.398 7.950 5.278 1.00 0.00 H new ATOM 0 HA THR A 40 1.541 5.948 4.667 1.00 0.00 H new ATOM 0 HB THR A 40 0.965 8.847 5.380 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.183 8.078 7.595 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.966 7.895 6.574 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.008 7.508 4.838 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.506 6.270 6.014 1.00 0.00 H new ATOM 515 N GLN A 41 1.426 8.617 2.718 1.00 0.00 N ATOM 516 CA GLN A 41 0.964 9.104 1.428 1.00 0.00 C ATOM 517 C GLN A 41 1.326 8.120 0.321 1.00 0.00 C ATOM 518 O GLN A 41 0.527 7.850 -0.569 1.00 0.00 O ATOM 519 CB GLN A 41 1.598 10.462 1.144 1.00 0.00 C ATOM 520 CG GLN A 41 1.072 11.141 -0.112 1.00 0.00 C ATOM 521 CD GLN A 41 1.812 12.425 -0.426 1.00 0.00 C ATOM 522 OE1 GLN A 41 2.875 12.317 -1.206 1.00 0.00 O flip ATOM 523 NE2 GLN A 41 1.433 13.501 0.030 1.00 0.00 N flip ATOM 0 H GLN A 41 2.014 9.275 3.228 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.121 9.205 1.456 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.426 11.117 1.998 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.677 10.336 1.051 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.161 10.457 -0.956 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.011 11.357 0.012 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.607 13.539 0.628 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.944 14.356 -0.189 1.00 0.00 H new ATOM 532 N ALA A 42 2.530 7.574 0.404 1.00 0.00 N ATOM 533 CA ALA A 42 3.022 6.632 -0.585 1.00 0.00 C ATOM 534 C ALA A 42 2.225 5.340 -0.548 1.00 0.00 C ATOM 535 O ALA A 42 1.853 4.818 -1.590 1.00 0.00 O ATOM 536 CB ALA A 42 4.484 6.352 -0.346 1.00 0.00 C ATOM 0 H ALA A 42 3.190 7.772 1.156 1.00 0.00 H new ATOM 0 HA ALA A 42 2.901 7.075 -1.573 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.846 5.644 -1.092 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.050 7.281 -0.422 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.615 5.928 0.650 1.00 0.00 H new ATOM 542 N ILE A 43 1.966 4.829 0.652 1.00 0.00 N ATOM 543 CA ILE A 43 1.131 3.641 0.807 1.00 0.00 C ATOM 544 C ILE A 43 -0.252 3.878 0.218 1.00 0.00 C ATOM 545 O ILE A 43 -0.776 3.045 -0.515 1.00 0.00 O ATOM 546 CB ILE A 43 0.990 3.223 2.292 1.00 0.00 C ATOM 547 CG1 ILE A 43 2.063 2.198 2.672 1.00 0.00 C ATOM 548 CG2 ILE A 43 -0.403 2.677 2.577 1.00 0.00 C ATOM 549 CD1 ILE A 43 3.471 2.746 2.644 1.00 0.00 C ATOM 0 H ILE A 43 2.320 5.216 1.527 1.00 0.00 H new ATOM 0 HA ILE A 43 1.626 2.832 0.269 1.00 0.00 H new ATOM 0 HB ILE A 43 1.134 4.112 2.906 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.851 1.819 3.672 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.000 1.351 1.989 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.474 2.391 3.626 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.146 3.444 2.359 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.587 1.804 1.950 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.173 1.961 2.925 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.704 3.099 1.639 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.553 3.574 3.348 1.00 0.00 H new ATOM 561 N GLU A 44 -0.831 5.019 0.547 1.00 0.00 N ATOM 562 CA GLU A 44 -2.162 5.370 0.073 1.00 0.00 C ATOM 563 C GLU A 44 -2.184 5.475 -1.445 1.00 0.00 C ATOM 564 O GLU A 44 -3.098 4.970 -2.088 1.00 0.00 O ATOM 565 CB GLU A 44 -2.628 6.686 0.695 1.00 0.00 C ATOM 566 CG GLU A 44 -2.744 6.651 2.211 1.00 0.00 C ATOM 567 CD GLU A 44 -3.240 7.962 2.789 1.00 0.00 C ATOM 568 OE1 GLU A 44 -2.409 8.850 3.081 1.00 0.00 O ATOM 569 OE2 GLU A 44 -4.467 8.112 2.947 1.00 0.00 O ATOM 0 H GLU A 44 -0.399 5.724 1.144 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.846 4.578 0.378 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.931 7.475 0.413 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.598 6.951 0.273 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.424 5.850 2.501 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.771 6.414 2.641 1.00 0.00 H new ATOM 576 N GLU A 45 -1.175 6.122 -2.012 1.00 0.00 N ATOM 577 CA GLU A 45 -1.038 6.191 -3.460 1.00 0.00 C ATOM 578 C GLU A 45 -0.802 4.796 -4.023 1.00 0.00 C ATOM 579 O GLU A 45 -1.335 4.435 -5.072 1.00 0.00 O ATOM 580 CB GLU A 45 0.119 7.117 -3.850 1.00 0.00 C ATOM 581 CG GLU A 45 -0.107 8.576 -3.483 1.00 0.00 C ATOM 582 CD GLU A 45 -1.215 9.222 -4.289 1.00 0.00 C ATOM 583 OE1 GLU A 45 -2.395 9.101 -3.904 1.00 0.00 O ATOM 584 OE2 GLU A 45 -0.908 9.871 -5.310 1.00 0.00 O ATOM 0 H GLU A 45 -0.442 6.605 -1.493 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.959 6.597 -3.878 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.030 6.768 -3.365 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.283 7.044 -4.925 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.348 8.645 -2.422 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.818 9.131 -3.636 1.00 0.00 H new ATOM 591 N ALA A 46 -0.020 4.006 -3.294 1.00 0.00 N ATOM 592 CA ALA A 46 0.302 2.653 -3.704 1.00 0.00 C ATOM 593 C ALA A 46 -0.949 1.806 -3.792 1.00 0.00 C ATOM 594 O ALA A 46 -1.243 1.204 -4.823 1.00 0.00 O ATOM 595 CB ALA A 46 1.279 2.018 -2.726 1.00 0.00 C ATOM 0 H ALA A 46 0.403 4.287 -2.410 1.00 0.00 H new ATOM 0 HA ALA A 46 0.764 2.703 -4.690 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.509 1.003 -3.049 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.196 2.606 -2.695 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.832 1.990 -1.732 1.00 0.00 H new ATOM 601 N ILE A 47 -1.687 1.783 -2.697 1.00 0.00 N ATOM 602 CA ILE A 47 -2.868 0.975 -2.589 1.00 0.00 C ATOM 603 C ILE A 47 -3.989 1.538 -3.469 1.00 0.00 C ATOM 604 O ILE A 47 -4.878 0.808 -3.907 1.00 0.00 O ATOM 605 CB ILE A 47 -3.304 0.872 -1.110 1.00 0.00 C ATOM 606 CG1 ILE A 47 -4.347 -0.228 -0.923 1.00 0.00 C ATOM 607 CG2 ILE A 47 -3.810 2.209 -0.596 1.00 0.00 C ATOM 608 CD1 ILE A 47 -4.856 -0.322 0.497 1.00 0.00 C ATOM 0 H ILE A 47 -1.476 2.328 -1.861 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.646 -0.030 -2.947 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.429 0.602 -0.518 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.187 -0.043 -1.593 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.914 -1.185 -1.212 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.110 2.108 0.447 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.017 2.953 -0.675 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.666 2.527 -1.191 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.594 -1.121 0.567 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.024 -0.536 1.168 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.317 0.624 0.782 1.00 0.00 H new ATOM 620 N LYS A 48 -3.920 2.836 -3.751 1.00 0.00 N ATOM 621 CA LYS A 48 -4.878 3.483 -4.634 1.00 0.00 C ATOM 622 C LYS A 48 -4.702 2.994 -6.064 1.00 0.00 C ATOM 623 O LYS A 48 -5.625 2.425 -6.654 1.00 0.00 O ATOM 624 CB LYS A 48 -4.700 5.001 -4.586 1.00 0.00 C ATOM 625 CG LYS A 48 -5.555 5.764 -5.591 1.00 0.00 C ATOM 626 CD LYS A 48 -6.687 6.528 -4.924 1.00 0.00 C ATOM 627 CE LYS A 48 -7.733 5.597 -4.336 1.00 0.00 C ATOM 628 NZ LYS A 48 -8.823 6.350 -3.664 1.00 0.00 N ATOM 0 H LYS A 48 -3.206 3.461 -3.377 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.882 3.228 -4.294 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.940 5.352 -3.582 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.651 5.238 -4.765 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.926 6.461 -6.144 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.970 5.064 -6.317 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.281 7.162 -4.135 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.158 7.188 -5.653 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.154 4.976 -5.127 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.260 4.924 -3.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.518 5.681 -3.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.425 6.923 -2.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.290 6.973 -4.353 1.00 0.00 H new ATOM 642 N GLU A 49 -3.511 3.208 -6.617 1.00 0.00 N ATOM 643 CA GLU A 49 -3.221 2.784 -7.976 1.00 0.00 C ATOM 644 C GLU A 49 -3.290 1.273 -8.102 1.00 0.00 C ATOM 645 O GLU A 49 -3.410 0.739 -9.201 1.00 0.00 O ATOM 646 CB GLU A 49 -1.842 3.278 -8.446 1.00 0.00 C ATOM 647 CG GLU A 49 -1.826 4.703 -8.999 1.00 0.00 C ATOM 648 CD GLU A 49 -1.818 5.775 -7.934 1.00 0.00 C ATOM 649 OE1 GLU A 49 -2.905 6.189 -7.484 1.00 0.00 O ATOM 650 OE2 GLU A 49 -0.715 6.241 -7.581 1.00 0.00 O ATOM 0 H GLU A 49 -2.736 3.672 -6.143 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.982 3.231 -8.615 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.146 3.220 -7.609 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.472 2.600 -9.215 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.947 4.827 -9.631 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.699 4.844 -9.636 1.00 0.00 H new ATOM 657 N TYR A 50 -3.240 0.591 -6.976 1.00 0.00 N ATOM 658 CA TYR A 50 -3.295 -0.846 -6.957 1.00 0.00 C ATOM 659 C TYR A 50 -4.706 -1.323 -7.244 1.00 0.00 C ATOM 660 O TYR A 50 -4.911 -2.208 -8.071 1.00 0.00 O ATOM 661 CB TYR A 50 -2.811 -1.344 -5.610 1.00 0.00 C ATOM 662 CG TYR A 50 -3.039 -2.808 -5.349 1.00 0.00 C ATOM 663 CD1 TYR A 50 -2.319 -3.782 -6.021 1.00 0.00 C ATOM 664 CD2 TYR A 50 -3.948 -3.204 -4.386 1.00 0.00 C ATOM 665 CE1 TYR A 50 -2.510 -5.120 -5.745 1.00 0.00 C ATOM 666 CE2 TYR A 50 -4.143 -4.535 -4.093 1.00 0.00 C ATOM 667 CZ TYR A 50 -3.423 -5.494 -4.777 1.00 0.00 C ATOM 668 OH TYR A 50 -3.607 -6.827 -4.488 1.00 0.00 O ATOM 0 H TYR A 50 -3.160 1.021 -6.054 1.00 0.00 H new ATOM 0 HA TYR A 50 -2.646 -1.249 -7.735 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.744 -1.138 -5.526 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.308 -0.770 -4.828 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.599 -3.490 -6.771 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.516 -2.455 -3.853 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -1.949 -5.871 -6.282 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.854 -4.827 -3.334 1.00 0.00 H new ATOM 0 HH TYR A 50 -4.563 -7.040 -4.522 1.00 0.00 H new ATOM 678 N LEU A 51 -5.678 -0.718 -6.573 1.00 0.00 N ATOM 679 CA LEU A 51 -7.075 -1.036 -6.824 1.00 0.00 C ATOM 680 C LEU A 51 -7.459 -0.681 -8.250 1.00 0.00 C ATOM 681 O LEU A 51 -8.183 -1.421 -8.902 1.00 0.00 O ATOM 682 CB LEU A 51 -8.011 -0.312 -5.852 1.00 0.00 C ATOM 683 CG LEU A 51 -8.372 -1.071 -4.572 1.00 0.00 C ATOM 684 CD1 LEU A 51 -8.131 -2.565 -4.726 1.00 0.00 C ATOM 685 CD2 LEU A 51 -7.613 -0.507 -3.386 1.00 0.00 C ATOM 0 H LEU A 51 -5.525 -0.009 -5.856 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.187 -2.109 -6.671 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.548 0.634 -5.571 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -8.934 -0.071 -6.380 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.437 -0.934 -4.387 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.397 -3.074 -3.800 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.744 -2.950 -5.541 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.079 -2.743 -4.948 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.883 -1.059 -2.486 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.541 -0.601 -3.562 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.869 0.545 -3.257 1.00 0.00 H new ATOM 697 N GLN A 52 -6.950 0.437 -8.740 1.00 0.00 N ATOM 698 CA GLN A 52 -7.293 0.894 -10.081 1.00 0.00 C ATOM 699 C GLN A 52 -6.579 0.075 -11.148 1.00 0.00 C ATOM 700 O GLN A 52 -7.086 -0.092 -12.258 1.00 0.00 O ATOM 701 CB GLN A 52 -6.980 2.382 -10.252 1.00 0.00 C ATOM 702 CG GLN A 52 -8.132 3.301 -9.869 1.00 0.00 C ATOM 703 CD GLN A 52 -8.508 3.215 -8.404 1.00 0.00 C ATOM 704 OE1 GLN A 52 -7.909 4.067 -7.591 1.00 0.00 O flip ATOM 705 NE2 GLN A 52 -9.342 2.401 -8.009 1.00 0.00 N flip ATOM 0 H GLN A 52 -6.302 1.043 -8.236 1.00 0.00 H new ATOM 0 HA GLN A 52 -8.366 0.751 -10.208 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.110 2.633 -9.645 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.708 2.569 -11.291 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -7.861 4.330 -10.107 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -9.003 3.052 -10.475 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.782 1.760 -8.669 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.594 2.367 -7.021 1.00 0.00 H new ATOM 844 N ALA B 14 8.378 -6.427 8.918 1.00 0.00 N ATOM 845 CA ALA B 14 8.404 -5.181 9.650 1.00 0.00 C ATOM 846 C ALA B 14 6.979 -4.754 9.938 1.00 0.00 C ATOM 847 O ALA B 14 6.039 -5.276 9.347 1.00 0.00 O ATOM 848 CB ALA B 14 9.117 -4.106 8.855 1.00 0.00 C ATOM 0 HA ALA B 14 8.946 -5.325 10.585 1.00 0.00 H new ATOM 0 HB1 ALA B 14 9.125 -3.177 9.425 1.00 0.00 H new ATOM 0 HB2 ALA B 14 10.142 -4.419 8.658 1.00 0.00 H new ATOM 0 HB3 ALA B 14 8.598 -3.948 7.910 1.00 0.00 H new ATOM 854 N VAL B 15 6.815 -3.808 10.834 1.00 0.00 N ATOM 855 CA VAL B 15 5.487 -3.336 11.180 1.00 0.00 C ATOM 856 C VAL B 15 5.247 -1.990 10.530 1.00 0.00 C ATOM 857 O VAL B 15 6.194 -1.306 10.129 1.00 0.00 O ATOM 858 CB VAL B 15 5.291 -3.192 12.700 1.00 0.00 C ATOM 859 CG1 VAL B 15 3.815 -3.218 13.071 1.00 0.00 C ATOM 860 CG2 VAL B 15 6.059 -4.264 13.451 1.00 0.00 C ATOM 0 H VAL B 15 7.576 -3.351 11.335 1.00 0.00 H new ATOM 0 HA VAL B 15 4.776 -4.079 10.819 1.00 0.00 H new ATOM 0 HB VAL B 15 5.690 -2.222 12.995 1.00 0.00 H new ATOM 0 HG11 VAL B 15 3.709 -3.114 14.151 1.00 0.00 H new ATOM 0 HG12 VAL B 15 3.301 -2.395 12.575 1.00 0.00 H new ATOM 0 HG13 VAL B 15 3.376 -4.164 12.753 1.00 0.00 H new ATOM 0 HG21 VAL B 15 5.904 -4.140 14.523 1.00 0.00 H new ATOM 0 HG22 VAL B 15 5.704 -5.248 13.145 1.00 0.00 H new ATOM 0 HG23 VAL B 15 7.122 -4.175 13.226 1.00 0.00 H new ATOM 870 N PHE B 16 3.995 -1.611 10.433 1.00 0.00 N ATOM 871 CA PHE B 16 3.635 -0.350 9.832 1.00 0.00 C ATOM 872 C PHE B 16 2.343 0.152 10.446 1.00 0.00 C ATOM 873 O PHE B 16 1.332 -0.545 10.423 1.00 0.00 O ATOM 874 CB PHE B 16 3.485 -0.517 8.323 1.00 0.00 C ATOM 875 CG PHE B 16 3.718 0.751 7.564 1.00 0.00 C ATOM 876 CD1 PHE B 16 4.857 1.503 7.796 1.00 0.00 C ATOM 877 CD2 PHE B 16 2.813 1.183 6.613 1.00 0.00 C ATOM 878 CE1 PHE B 16 5.088 2.667 7.095 1.00 0.00 C ATOM 879 CE2 PHE B 16 3.039 2.348 5.909 1.00 0.00 C ATOM 880 CZ PHE B 16 4.176 3.089 6.150 1.00 0.00 C ATOM 0 H PHE B 16 3.204 -2.163 10.765 1.00 0.00 H new ATOM 0 HA PHE B 16 4.421 0.382 10.020 1.00 0.00 H new ATOM 0 HB2 PHE B 16 4.187 -1.275 7.976 1.00 0.00 H new ATOM 0 HB3 PHE B 16 2.483 -0.886 8.103 1.00 0.00 H new ATOM 0 HD1 PHE B 16 5.573 1.174 8.535 1.00 0.00 H new ATOM 0 HD2 PHE B 16 1.922 0.604 6.419 1.00 0.00 H new ATOM 0 HE1 PHE B 16 5.979 3.246 7.285 1.00 0.00 H new ATOM 0 HE2 PHE B 16 2.325 2.679 5.169 1.00 0.00 H new ATOM 0 HZ PHE B 16 4.353 4.001 5.599 1.00 0.00 H new ATOM 890 N GLY B 17 2.395 1.345 11.016 1.00 0.00 N ATOM 891 CA GLY B 17 1.230 1.917 11.664 1.00 0.00 C ATOM 892 C GLY B 17 0.980 3.332 11.205 1.00 0.00 C ATOM 893 O GLY B 17 1.565 4.276 11.739 1.00 0.00 O ATOM 0 H GLY B 17 3.228 1.933 11.042 1.00 0.00 H new ATOM 0 HA2 GLY B 17 0.355 1.304 11.449 1.00 0.00 H new ATOM 0 HA3 GLY B 17 1.370 1.904 12.745 1.00 0.00 H new ATOM 897 N ILE B 18 0.115 3.485 10.215 1.00 0.00 N ATOM 898 CA ILE B 18 -0.114 4.783 9.600 1.00 0.00 C ATOM 899 C ILE B 18 -1.582 5.173 9.643 1.00 0.00 C ATOM 900 O ILE B 18 -2.435 4.376 10.034 1.00 0.00 O ATOM 901 CB ILE B 18 0.356 4.794 8.138 1.00 0.00 C ATOM 902 CG1 ILE B 18 -0.358 3.702 7.334 1.00 0.00 C ATOM 903 CG2 ILE B 18 1.859 4.602 8.090 1.00 0.00 C ATOM 904 CD1 ILE B 18 -0.131 3.796 5.846 1.00 0.00 C ATOM 0 H ILE B 18 -0.440 2.726 9.820 1.00 0.00 H new ATOM 0 HA ILE B 18 0.464 5.506 10.176 1.00 0.00 H new ATOM 0 HB ILE B 18 0.107 5.755 7.689 1.00 0.00 H new ATOM 0 HG12 ILE B 18 -0.019 2.727 7.683 1.00 0.00 H new ATOM 0 HG13 ILE B 18 -1.428 3.758 7.533 1.00 0.00 H new ATOM 0 HG21 ILE B 18 2.194 4.610 7.053 1.00 0.00 H new ATOM 0 HG22 ILE B 18 2.347 5.410 8.635 1.00 0.00 H new ATOM 0 HG23 ILE B 18 2.119 3.648 8.548 1.00 0.00 H new ATOM 0 HD11 ILE B 18 -0.667 2.990 5.345 1.00 0.00 H new ATOM 0 HD12 ILE B 18 -0.496 4.757 5.482 1.00 0.00 H new ATOM 0 HD13 ILE B 18 0.935 3.709 5.634 1.00 0.00 H new ATOM 916 N TYR B 19 -1.865 6.404 9.238 1.00 0.00 N ATOM 917 CA TYR B 19 -3.230 6.899 9.191 1.00 0.00 C ATOM 918 C TYR B 19 -3.623 7.215 7.752 1.00 0.00 C ATOM 919 O TYR B 19 -3.304 8.282 7.227 1.00 0.00 O ATOM 920 CB TYR B 19 -3.383 8.146 10.066 1.00 0.00 C ATOM 921 CG TYR B 19 -3.014 7.920 11.518 1.00 0.00 C ATOM 922 CD1 TYR B 19 -3.794 7.113 12.337 1.00 0.00 C ATOM 923 CD2 TYR B 19 -1.886 8.520 12.071 1.00 0.00 C ATOM 924 CE1 TYR B 19 -3.462 6.907 13.659 1.00 0.00 C ATOM 925 CE2 TYR B 19 -1.550 8.316 13.398 1.00 0.00 C ATOM 926 CZ TYR B 19 -2.342 7.509 14.186 1.00 0.00 C ATOM 927 OH TYR B 19 -2.012 7.299 15.506 1.00 0.00 O ATOM 0 H TYR B 19 -1.162 7.079 8.936 1.00 0.00 H new ATOM 0 HA TYR B 19 -3.892 6.124 9.578 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -2.758 8.942 9.661 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -4.415 8.492 10.012 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -4.675 6.639 11.931 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -1.264 9.154 11.456 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -4.079 6.275 14.280 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -0.672 8.787 13.814 1.00 0.00 H new ATOM 0 HH TYR B 19 -1.194 7.794 15.721 1.00 0.00 H new ATOM 937 N MET B 20 -4.317 6.277 7.131 1.00 0.00 N ATOM 938 CA MET B 20 -4.693 6.388 5.721 1.00 0.00 C ATOM 939 C MET B 20 -6.198 6.616 5.588 1.00 0.00 C ATOM 940 O MET B 20 -6.940 6.396 6.542 1.00 0.00 O ATOM 941 CB MET B 20 -4.265 5.120 4.962 1.00 0.00 C ATOM 942 CG MET B 20 -4.915 3.841 5.471 1.00 0.00 C ATOM 943 SD MET B 20 -4.109 2.348 4.844 1.00 0.00 S ATOM 944 CE MET B 20 -4.398 2.498 3.084 1.00 0.00 C ATOM 0 H MET B 20 -4.637 5.420 7.581 1.00 0.00 H new ATOM 0 HA MET B 20 -4.180 7.245 5.284 1.00 0.00 H new ATOM 0 HB2 MET B 20 -4.507 5.242 3.906 1.00 0.00 H new ATOM 0 HB3 MET B 20 -3.182 5.017 5.031 1.00 0.00 H new ATOM 0 HG2 MET B 20 -4.887 3.833 6.561 1.00 0.00 H new ATOM 0 HG3 MET B 20 -5.965 3.831 5.179 1.00 0.00 H new ATOM 0 HE1 MET B 20 -4.375 1.509 2.626 1.00 0.00 H new ATOM 0 HE2 MET B 20 -5.373 2.955 2.913 1.00 0.00 H new ATOM 0 HE3 MET B 20 -3.622 3.122 2.640 1.00 0.00 H new ATOM 954 N ASP B 21 -6.646 7.057 4.414 1.00 0.00 N ATOM 955 CA ASP B 21 -8.062 7.340 4.198 1.00 0.00 C ATOM 956 C ASP B 21 -8.913 6.092 4.345 1.00 0.00 C ATOM 957 O ASP B 21 -8.438 4.970 4.141 1.00 0.00 O ATOM 958 CB ASP B 21 -8.326 7.955 2.822 1.00 0.00 C ATOM 959 CG ASP B 21 -8.094 9.453 2.768 1.00 0.00 C ATOM 960 OD1 ASP B 21 -9.028 10.221 3.081 1.00 0.00 O ATOM 961 OD2 ASP B 21 -6.987 9.870 2.376 1.00 0.00 O ATOM 0 H ASP B 21 -6.052 7.225 3.602 1.00 0.00 H new ATOM 0 HA ASP B 21 -8.340 8.061 4.967 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -7.683 7.470 2.088 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -9.355 7.745 2.532 1.00 0.00 H new ATOM 966 N LYS B 22 -10.179 6.291 4.667 1.00 0.00 N ATOM 967 CA LYS B 22 -11.090 5.189 4.877 1.00 0.00 C ATOM 968 C LYS B 22 -11.493 4.577 3.552 1.00 0.00 C ATOM 969 O LYS B 22 -11.115 3.457 3.264 1.00 0.00 O ATOM 970 CB LYS B 22 -12.337 5.649 5.630 1.00 0.00 C ATOM 971 CG LYS B 22 -13.388 4.561 5.754 1.00 0.00 C ATOM 972 CD LYS B 22 -14.673 5.084 6.371 1.00 0.00 C ATOM 973 CE LYS B 22 -15.766 4.030 6.336 1.00 0.00 C ATOM 974 NZ LYS B 22 -17.031 4.523 6.934 1.00 0.00 N ATOM 0 H LYS B 22 -10.598 7.213 4.788 1.00 0.00 H new ATOM 0 HA LYS B 22 -10.576 4.439 5.477 1.00 0.00 H new ATOM 0 HB2 LYS B 22 -12.050 5.985 6.626 1.00 0.00 H new ATOM 0 HB3 LYS B 22 -12.769 6.508 5.116 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -13.601 4.147 4.768 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -12.997 3.747 6.364 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -14.488 5.386 7.402 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -15.003 5.972 5.833 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -15.946 3.728 5.304 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -15.432 3.143 6.874 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -17.751 3.774 6.890 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -16.866 4.787 7.926 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -17.364 5.354 6.405 1.00 0.00 H new ATOM 988 N ASP B 23 -12.225 5.339 2.743 1.00 0.00 N ATOM 989 CA ASP B 23 -12.775 4.846 1.471 1.00 0.00 C ATOM 990 C ASP B 23 -11.727 4.120 0.631 1.00 0.00 C ATOM 991 O ASP B 23 -12.043 3.190 -0.103 1.00 0.00 O ATOM 992 CB ASP B 23 -13.360 6.004 0.663 1.00 0.00 C ATOM 993 CG ASP B 23 -13.861 5.570 -0.703 1.00 0.00 C ATOM 994 OD1 ASP B 23 -14.939 4.948 -0.778 1.00 0.00 O ATOM 995 OD2 ASP B 23 -13.183 5.864 -1.710 1.00 0.00 O ATOM 0 H ASP B 23 -12.456 6.312 2.944 1.00 0.00 H new ATOM 0 HA ASP B 23 -13.560 4.131 1.719 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -14.182 6.453 1.221 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -12.600 6.776 0.539 1.00 0.00 H new ATOM 1000 N LEU B 24 -10.484 4.544 0.759 1.00 0.00 N ATOM 1001 CA LEU B 24 -9.382 3.957 0.029 1.00 0.00 C ATOM 1002 C LEU B 24 -8.933 2.643 0.686 1.00 0.00 C ATOM 1003 O LEU B 24 -8.909 1.598 0.033 1.00 0.00 O ATOM 1004 CB LEU B 24 -8.268 5.009 -0.036 1.00 0.00 C ATOM 1005 CG LEU B 24 -6.898 4.586 -0.553 1.00 0.00 C ATOM 1006 CD1 LEU B 24 -6.049 4.157 0.619 1.00 0.00 C ATOM 1007 CD2 LEU B 24 -6.998 3.480 -1.602 1.00 0.00 C ATOM 0 H LEU B 24 -10.211 5.309 1.376 1.00 0.00 H new ATOM 0 HA LEU B 24 -9.675 3.687 -0.986 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -8.621 5.827 -0.664 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -8.134 5.412 0.968 1.00 0.00 H new ATOM 0 HG LEU B 24 -6.431 5.435 -1.052 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -5.065 3.851 0.263 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -5.941 4.990 1.314 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -6.527 3.320 1.127 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -5.998 3.210 -1.942 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -7.481 2.606 -1.165 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -7.586 3.834 -2.449 1.00 0.00 H new ATOM 1019 N LYS B 25 -8.595 2.687 1.970 1.00 0.00 N ATOM 1020 CA LYS B 25 -8.197 1.482 2.690 1.00 0.00 C ATOM 1021 C LYS B 25 -9.353 0.486 2.704 1.00 0.00 C ATOM 1022 O LYS B 25 -9.162 -0.727 2.652 1.00 0.00 O ATOM 1023 CB LYS B 25 -7.830 1.840 4.127 1.00 0.00 C ATOM 1024 CG LYS B 25 -7.157 0.712 4.880 1.00 0.00 C ATOM 1025 CD LYS B 25 -7.035 1.023 6.362 1.00 0.00 C ATOM 1026 CE LYS B 25 -8.259 0.568 7.148 1.00 0.00 C ATOM 1027 NZ LYS B 25 -9.494 1.313 6.774 1.00 0.00 N ATOM 0 H LYS B 25 -8.588 3.539 2.531 1.00 0.00 H new ATOM 0 HA LYS B 25 -7.336 1.037 2.191 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -7.168 2.706 4.119 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -8.733 2.134 4.661 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -7.728 -0.207 4.746 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -6.166 0.535 4.462 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -6.146 0.535 6.762 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -6.897 2.096 6.496 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -8.418 -0.497 6.980 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -8.070 0.698 8.214 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -10.221 1.168 7.503 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -9.278 2.327 6.697 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -9.846 0.964 5.860 1.00 0.00 H new ATOM 1041 N THR B 26 -10.551 1.035 2.760 1.00 0.00 N ATOM 1042 CA THR B 26 -11.774 0.253 2.851 1.00 0.00 C ATOM 1043 C THR B 26 -12.128 -0.340 1.493 1.00 0.00 C ATOM 1044 O THR B 26 -12.656 -1.446 1.400 1.00 0.00 O ATOM 1045 CB THR B 26 -12.937 1.113 3.400 1.00 0.00 C ATOM 1046 OG1 THR B 26 -12.655 1.484 4.756 1.00 0.00 O ATOM 1047 CG2 THR B 26 -14.265 0.369 3.342 1.00 0.00 C ATOM 0 H THR B 26 -10.707 2.043 2.744 1.00 0.00 H new ATOM 0 HA THR B 26 -11.607 -0.567 3.549 1.00 0.00 H new ATOM 0 HB THR B 26 -13.024 2.002 2.775 1.00 0.00 H new ATOM 0 HG1 THR B 26 -12.040 2.247 4.765 1.00 0.00 H new ATOM 0 HG21 THR B 26 -15.057 1.006 3.736 1.00 0.00 H new ATOM 0 HG22 THR B 26 -14.491 0.108 2.308 1.00 0.00 H new ATOM 0 HG23 THR B 26 -14.199 -0.540 3.940 1.00 0.00 H new ATOM 1055 N ARG B 27 -11.806 0.399 0.447 1.00 0.00 N ATOM 1056 CA ARG B 27 -11.911 -0.099 -0.917 1.00 0.00 C ATOM 1057 C ARG B 27 -11.129 -1.401 -1.037 1.00 0.00 C ATOM 1058 O ARG B 27 -11.645 -2.428 -1.479 1.00 0.00 O ATOM 1059 CB ARG B 27 -11.351 0.953 -1.882 1.00 0.00 C ATOM 1060 CG ARG B 27 -11.016 0.433 -3.266 1.00 0.00 C ATOM 1061 CD ARG B 27 -12.256 0.010 -4.045 1.00 0.00 C ATOM 1062 NE ARG B 27 -13.161 1.137 -4.296 1.00 0.00 N ATOM 1063 CZ ARG B 27 -14.314 1.044 -4.952 1.00 0.00 C ATOM 1064 NH1 ARG B 27 -14.690 -0.104 -5.500 1.00 0.00 N ATOM 1065 NH2 ARG B 27 -15.092 2.114 -5.069 1.00 0.00 N ATOM 0 H ARG B 27 -11.465 1.358 0.516 1.00 0.00 H new ATOM 0 HA ARG B 27 -12.954 -0.289 -1.168 1.00 0.00 H new ATOM 0 HB2 ARG B 27 -12.077 1.760 -1.979 1.00 0.00 H new ATOM 0 HB3 ARG B 27 -10.451 1.385 -1.444 1.00 0.00 H new ATOM 0 HG2 ARG B 27 -10.487 1.206 -3.823 1.00 0.00 H new ATOM 0 HG3 ARG B 27 -10.339 -0.416 -3.178 1.00 0.00 H new ATOM 0 HD2 ARG B 27 -11.954 -0.430 -4.995 1.00 0.00 H new ATOM 0 HD3 ARG B 27 -12.786 -0.763 -3.489 1.00 0.00 H new ATOM 0 HE ARG B 27 -12.887 2.054 -3.943 1.00 0.00 H new ATOM 0 HH11 ARG B 27 -14.093 -0.927 -5.420 1.00 0.00 H new ATOM 0 HH12 ARG B 27 -15.577 -0.164 -6.001 1.00 0.00 H new ATOM 0 HH21 ARG B 27 -14.804 3.001 -4.657 1.00 0.00 H new ATOM 0 HH22 ARG B 27 -15.977 2.048 -5.571 1.00 0.00 H new ATOM 1079 N LEU B 28 -9.877 -1.330 -0.628 1.00 0.00 N ATOM 1080 CA LEU B 28 -8.998 -2.483 -0.581 1.00 0.00 C ATOM 1081 C LEU B 28 -9.531 -3.555 0.381 1.00 0.00 C ATOM 1082 O LEU B 28 -9.398 -4.748 0.115 1.00 0.00 O ATOM 1083 CB LEU B 28 -7.604 -2.009 -0.171 1.00 0.00 C ATOM 1084 CG LEU B 28 -6.466 -3.013 -0.296 1.00 0.00 C ATOM 1085 CD1 LEU B 28 -6.468 -3.954 0.884 1.00 0.00 C ATOM 1086 CD2 LEU B 28 -6.564 -3.770 -1.606 1.00 0.00 C ATOM 0 H LEU B 28 -9.438 -0.464 -0.316 1.00 0.00 H new ATOM 0 HA LEU B 28 -8.951 -2.948 -1.566 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -7.353 -1.136 -0.773 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -7.651 -1.678 0.866 1.00 0.00 H new ATOM 0 HG LEU B 28 -5.519 -2.473 -0.296 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -5.650 -4.667 0.782 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -6.341 -3.384 1.804 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -7.415 -4.492 0.919 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -5.742 -4.483 -1.677 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -7.513 -4.305 -1.647 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -6.508 -3.067 -2.437 1.00 0.00 H new ATOM 1098 N LYS B 29 -10.123 -3.133 1.496 1.00 0.00 N ATOM 1099 CA LYS B 29 -10.740 -4.071 2.437 1.00 0.00 C ATOM 1100 C LYS B 29 -11.774 -4.932 1.723 1.00 0.00 C ATOM 1101 O LYS B 29 -11.840 -6.145 1.923 1.00 0.00 O ATOM 1102 CB LYS B 29 -11.375 -3.312 3.616 1.00 0.00 C ATOM 1103 CG LYS B 29 -12.225 -4.169 4.552 1.00 0.00 C ATOM 1104 CD LYS B 29 -13.663 -4.292 4.062 1.00 0.00 C ATOM 1105 CE LYS B 29 -14.465 -5.257 4.915 1.00 0.00 C ATOM 1106 NZ LYS B 29 -15.866 -5.393 4.439 1.00 0.00 N ATOM 0 H LYS B 29 -10.190 -2.153 1.771 1.00 0.00 H new ATOM 0 HA LYS B 29 -9.966 -4.727 2.836 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -10.581 -2.844 4.197 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -11.996 -2.509 3.219 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -11.784 -5.162 4.635 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -12.218 -3.732 5.551 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -14.138 -3.311 4.077 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -13.667 -4.632 3.026 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -13.983 -6.235 4.906 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -14.466 -4.912 5.949 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -16.377 -6.061 5.050 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -16.335 -4.465 4.472 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -15.868 -5.747 3.461 1.00 0.00 H new ATOM 1120 N VAL B 30 -12.567 -4.294 0.883 1.00 0.00 N ATOM 1121 CA VAL B 30 -13.586 -4.982 0.108 1.00 0.00 C ATOM 1122 C VAL B 30 -12.952 -5.912 -0.907 1.00 0.00 C ATOM 1123 O VAL B 30 -13.469 -6.992 -1.199 1.00 0.00 O ATOM 1124 CB VAL B 30 -14.497 -3.963 -0.587 1.00 0.00 C ATOM 1125 CG1 VAL B 30 -15.544 -4.646 -1.450 1.00 0.00 C ATOM 1126 CG2 VAL B 30 -15.139 -3.077 0.463 1.00 0.00 C ATOM 0 H VAL B 30 -12.525 -3.288 0.718 1.00 0.00 H new ATOM 0 HA VAL B 30 -14.190 -5.585 0.786 1.00 0.00 H new ATOM 0 HB VAL B 30 -13.896 -3.348 -1.257 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -16.171 -3.892 -1.926 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -15.050 -5.244 -2.216 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -16.163 -5.292 -0.828 1.00 0.00 H new ATOM 0 HG21 VAL B 30 -15.789 -2.349 -0.023 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -15.727 -3.690 1.146 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -14.363 -2.554 1.022 1.00 0.00 H new ATOM 1136 N TYR B 31 -11.809 -5.496 -1.402 1.00 0.00 N ATOM 1137 CA TYR B 31 -11.023 -6.300 -2.308 1.00 0.00 C ATOM 1138 C TYR B 31 -10.541 -7.557 -1.591 1.00 0.00 C ATOM 1139 O TYR B 31 -10.535 -8.655 -2.156 1.00 0.00 O ATOM 1140 CB TYR B 31 -9.842 -5.476 -2.816 1.00 0.00 C ATOM 1141 CG TYR B 31 -8.914 -6.237 -3.718 1.00 0.00 C ATOM 1142 CD1 TYR B 31 -9.265 -6.511 -5.028 1.00 0.00 C ATOM 1143 CD2 TYR B 31 -7.688 -6.686 -3.258 1.00 0.00 C ATOM 1144 CE1 TYR B 31 -8.422 -7.214 -5.856 1.00 0.00 C ATOM 1145 CE2 TYR B 31 -6.837 -7.388 -4.081 1.00 0.00 C ATOM 1146 CZ TYR B 31 -7.207 -7.653 -5.379 1.00 0.00 C ATOM 1147 OH TYR B 31 -6.364 -8.358 -6.203 1.00 0.00 O ATOM 0 H TYR B 31 -11.397 -4.588 -1.187 1.00 0.00 H new ATOM 0 HA TYR B 31 -11.631 -6.604 -3.161 1.00 0.00 H new ATOM 0 HB2 TYR B 31 -10.222 -4.606 -3.352 1.00 0.00 H new ATOM 0 HB3 TYR B 31 -9.278 -5.102 -1.962 1.00 0.00 H new ATOM 0 HD1 TYR B 31 -10.216 -6.167 -5.406 1.00 0.00 H new ATOM 0 HD2 TYR B 31 -7.395 -6.483 -2.239 1.00 0.00 H new ATOM 0 HE1 TYR B 31 -8.711 -7.421 -6.876 1.00 0.00 H new ATOM 0 HE2 TYR B 31 -5.882 -7.729 -3.709 1.00 0.00 H new ATOM 0 HH TYR B 31 -5.548 -8.593 -5.713 1.00 0.00 H new ATOM 1157 N CYS B 32 -10.171 -7.388 -0.329 1.00 0.00 N ATOM 1158 CA CYS B 32 -9.704 -8.501 0.489 1.00 0.00 C ATOM 1159 C CYS B 32 -10.859 -9.387 0.928 1.00 0.00 C ATOM 1160 O CYS B 32 -10.681 -10.570 1.191 1.00 0.00 O ATOM 1161 CB CYS B 32 -8.952 -7.986 1.711 1.00 0.00 C ATOM 1162 SG CYS B 32 -7.492 -7.019 1.302 1.00 0.00 S ATOM 0 H CYS B 32 -10.185 -6.489 0.152 1.00 0.00 H new ATOM 0 HA CYS B 32 -9.027 -9.099 -0.122 1.00 0.00 H new ATOM 0 HB2 CYS B 32 -9.626 -7.375 2.311 1.00 0.00 H new ATOM 0 HB3 CYS B 32 -8.655 -8.834 2.329 1.00 0.00 H new ATOM 0 HG CYS B 32 -7.682 -6.403 0.173 1.00 0.00 H new ATOM 1168 N ALA B 33 -12.042 -8.814 1.005 1.00 0.00 N ATOM 1169 CA ALA B 33 -13.222 -9.564 1.389 1.00 0.00 C ATOM 1170 C ALA B 33 -13.738 -10.372 0.208 1.00 0.00 C ATOM 1171 O ALA B 33 -14.187 -11.507 0.356 1.00 0.00 O ATOM 1172 CB ALA B 33 -14.294 -8.617 1.901 1.00 0.00 C ATOM 0 H ALA B 33 -12.213 -7.828 0.806 1.00 0.00 H new ATOM 0 HA ALA B 33 -12.960 -10.256 2.189 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -15.177 -9.188 2.187 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -13.916 -8.074 2.767 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -14.559 -7.909 1.116 1.00 0.00 H new ATOM 1178 N LYS B 34 -13.648 -9.778 -0.970 1.00 0.00 N ATOM 1179 CA LYS B 34 -14.161 -10.387 -2.183 1.00 0.00 C ATOM 1180 C LYS B 34 -13.223 -11.469 -2.708 1.00 0.00 C ATOM 1181 O LYS B 34 -13.672 -12.509 -3.187 1.00 0.00 O ATOM 1182 CB LYS B 34 -14.385 -9.302 -3.239 1.00 0.00 C ATOM 1183 CG LYS B 34 -15.077 -9.787 -4.497 1.00 0.00 C ATOM 1184 CD LYS B 34 -15.404 -8.624 -5.422 1.00 0.00 C ATOM 1185 CE LYS B 34 -16.103 -9.083 -6.689 1.00 0.00 C ATOM 1186 NZ LYS B 34 -15.211 -9.890 -7.560 1.00 0.00 N ATOM 0 H LYS B 34 -13.219 -8.864 -1.111 1.00 0.00 H new ATOM 0 HA LYS B 34 -15.110 -10.871 -1.954 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -14.978 -8.500 -2.799 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -13.421 -8.873 -3.512 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -14.437 -10.501 -5.016 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -15.993 -10.314 -4.232 1.00 0.00 H new ATOM 0 HD2 LYS B 34 -16.038 -7.910 -4.896 1.00 0.00 H new ATOM 0 HD3 LYS B 34 -14.485 -8.100 -5.685 1.00 0.00 H new ATOM 0 HE2 LYS B 34 -16.981 -9.673 -6.425 1.00 0.00 H new ATOM 0 HE3 LYS B 34 -16.458 -8.213 -7.242 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 -15.689 -10.081 -8.464 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 -14.331 -9.365 -7.738 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 -14.988 -10.790 -7.089 1.00 0.00 H new ATOM 1200 N ASN B 35 -11.924 -11.232 -2.610 1.00 0.00 N ATOM 1201 CA ASN B 35 -10.946 -12.215 -3.063 1.00 0.00 C ATOM 1202 C ASN B 35 -10.497 -13.086 -1.907 1.00 0.00 C ATOM 1203 O ASN B 35 -9.664 -13.977 -2.078 1.00 0.00 O ATOM 1204 CB ASN B 35 -9.728 -11.529 -3.679 1.00 0.00 C ATOM 1205 CG ASN B 35 -10.054 -10.815 -4.974 1.00 0.00 C ATOM 1206 OD1 ASN B 35 -9.973 -11.398 -6.056 1.00 0.00 O ATOM 1207 ND2 ASN B 35 -10.422 -9.548 -4.874 1.00 0.00 N ATOM 0 H ASN B 35 -11.523 -10.377 -2.225 1.00 0.00 H new ATOM 0 HA ASN B 35 -11.425 -12.835 -3.821 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -9.320 -10.812 -2.966 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -8.952 -12.272 -3.864 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -10.652 -9.016 -5.713 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -10.476 -9.103 -3.958 1.00 0.00 H new ATOM 1214 N ASN B 36 -11.060 -12.816 -0.729 1.00 0.00 N ATOM 1215 CA ASN B 36 -10.652 -13.490 0.505 1.00 0.00 C ATOM 1216 C ASN B 36 -9.163 -13.275 0.777 1.00 0.00 C ATOM 1217 O ASN B 36 -8.529 -14.055 1.492 1.00 0.00 O ATOM 1218 CB ASN B 36 -10.972 -14.985 0.432 1.00 0.00 C ATOM 1219 CG ASN B 36 -12.466 -15.282 0.494 1.00 0.00 C ATOM 1220 OD1 ASN B 36 -13.140 -15.322 -0.535 1.00 0.00 O ATOM 1221 ND2 ASN B 36 -13.000 -15.504 1.691 1.00 0.00 N ATOM 0 H ASN B 36 -11.805 -12.131 -0.603 1.00 0.00 H new ATOM 0 HA ASN B 36 -11.215 -13.055 1.331 1.00 0.00 H new ATOM 0 HB2 ASN B 36 -10.565 -15.393 -0.493 1.00 0.00 H new ATOM 0 HB3 ASN B 36 -10.472 -15.498 1.253 1.00 0.00 H new ATOM 0 HD21 ASN B 36 -13.995 -15.715 1.775 1.00 0.00 H new ATOM 0 HD22 ASN B 36 -12.415 -15.464 2.526 1.00 0.00 H new ATOM 1228 N LEU B 37 -8.616 -12.204 0.208 1.00 0.00 N ATOM 1229 CA LEU B 37 -7.213 -11.856 0.388 1.00 0.00 C ATOM 1230 C LEU B 37 -6.954 -11.314 1.786 1.00 0.00 C ATOM 1231 O LEU B 37 -7.883 -10.963 2.518 1.00 0.00 O ATOM 1232 CB LEU B 37 -6.791 -10.808 -0.643 1.00 0.00 C ATOM 1233 CG LEU B 37 -5.822 -11.299 -1.721 1.00 0.00 C ATOM 1234 CD1 LEU B 37 -6.428 -12.447 -2.508 1.00 0.00 C ATOM 1235 CD2 LEU B 37 -5.438 -10.155 -2.646 1.00 0.00 C ATOM 0 H LEU B 37 -9.132 -11.557 -0.388 1.00 0.00 H new ATOM 0 HA LEU B 37 -6.627 -12.765 0.251 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -7.686 -10.423 -1.131 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -6.330 -9.972 -0.118 1.00 0.00 H new ATOM 0 HG LEU B 37 -4.919 -11.666 -1.232 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -5.722 -12.780 -3.269 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -6.650 -13.273 -1.833 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -7.348 -12.113 -2.988 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -4.748 -10.519 -3.408 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -6.333 -9.759 -3.126 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -4.957 -9.366 -2.068 1.00 0.00 H new ATOM 1247 N GLN B 38 -5.683 -11.249 2.146 1.00 0.00 N ATOM 1248 CA GLN B 38 -5.280 -10.678 3.414 1.00 0.00 C ATOM 1249 C GLN B 38 -5.048 -9.187 3.243 1.00 0.00 C ATOM 1250 O GLN B 38 -4.391 -8.780 2.285 1.00 0.00 O ATOM 1251 CB GLN B 38 -3.999 -11.335 3.922 1.00 0.00 C ATOM 1252 CG GLN B 38 -4.117 -12.829 4.104 1.00 0.00 C ATOM 1253 CD GLN B 38 -2.787 -13.475 4.467 1.00 0.00 C ATOM 1254 OE1 GLN B 38 -1.719 -12.962 4.119 1.00 0.00 O ATOM 1255 NE2 GLN B 38 -2.839 -14.604 5.153 1.00 0.00 N ATOM 0 H GLN B 38 -4.911 -11.588 1.572 1.00 0.00 H new ATOM 0 HA GLN B 38 -6.072 -10.852 4.142 1.00 0.00 H new ATOM 0 HB2 GLN B 38 -3.191 -11.126 3.221 1.00 0.00 H new ATOM 0 HB3 GLN B 38 -3.721 -10.882 4.874 1.00 0.00 H new ATOM 0 HG2 GLN B 38 -4.846 -13.041 4.886 1.00 0.00 H new ATOM 0 HG3 GLN B 38 -4.496 -13.276 3.185 1.00 0.00 H new ATOM 0 HE21 GLN B 38 -3.741 -14.996 5.422 1.00 0.00 H new ATOM 0 HE22 GLN B 38 -1.977 -15.083 5.413 1.00 0.00 H new ATOM 1264 N LEU B 39 -5.597 -8.389 4.148 1.00 0.00 N ATOM 1265 CA LEU B 39 -5.408 -6.936 4.118 1.00 0.00 C ATOM 1266 C LEU B 39 -3.934 -6.586 3.920 1.00 0.00 C ATOM 1267 O LEU B 39 -3.580 -5.826 3.017 1.00 0.00 O ATOM 1268 CB LEU B 39 -5.919 -6.299 5.415 1.00 0.00 C ATOM 1269 CG LEU B 39 -6.957 -5.180 5.243 1.00 0.00 C ATOM 1270 CD1 LEU B 39 -6.524 -4.187 4.178 1.00 0.00 C ATOM 1271 CD2 LEU B 39 -8.322 -5.755 4.907 1.00 0.00 C ATOM 0 H LEU B 39 -6.180 -8.720 4.917 1.00 0.00 H new ATOM 0 HA LEU B 39 -5.980 -6.541 3.278 1.00 0.00 H new ATOM 0 HB2 LEU B 39 -6.355 -7.082 6.035 1.00 0.00 H new ATOM 0 HB3 LEU B 39 -5.066 -5.897 5.962 1.00 0.00 H new ATOM 0 HG LEU B 39 -7.030 -4.649 6.192 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -7.279 -3.407 4.079 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -5.573 -3.738 4.465 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -6.409 -4.703 3.225 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -9.040 -4.943 4.790 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -8.260 -6.321 3.978 1.00 0.00 H new ATOM 0 HD23 LEU B 39 -8.647 -6.414 5.712 1.00 0.00 H new ATOM 1283 N THR B 40 -3.082 -7.171 4.748 1.00 0.00 N ATOM 1284 CA THR B 40 -1.654 -6.917 4.689 1.00 0.00 C ATOM 1285 C THR B 40 -1.072 -7.339 3.345 1.00 0.00 C ATOM 1286 O THR B 40 -0.354 -6.570 2.708 1.00 0.00 O ATOM 1287 CB THR B 40 -0.923 -7.662 5.818 1.00 0.00 C ATOM 1288 OG1 THR B 40 -1.604 -7.450 7.060 1.00 0.00 O ATOM 1289 CG2 THR B 40 0.519 -7.198 5.939 1.00 0.00 C ATOM 0 H THR B 40 -3.360 -7.831 5.475 1.00 0.00 H new ATOM 0 HA THR B 40 -1.509 -5.844 4.811 1.00 0.00 H new ATOM 0 HB THR B 40 -0.921 -8.725 5.577 1.00 0.00 H new ATOM 0 HG1 THR B 40 -1.135 -7.928 7.776 1.00 0.00 H new ATOM 0 HG21 THR B 40 1.010 -7.743 6.746 1.00 0.00 H new ATOM 0 HG22 THR B 40 1.042 -7.388 5.002 1.00 0.00 H new ATOM 0 HG23 THR B 40 0.541 -6.130 6.157 1.00 0.00 H new ATOM 1297 N GLN B 41 -1.401 -8.556 2.918 1.00 0.00 N ATOM 1298 CA GLN B 41 -0.946 -9.076 1.637 1.00 0.00 C ATOM 1299 C GLN B 41 -1.317 -8.117 0.510 1.00 0.00 C ATOM 1300 O GLN B 41 -0.525 -7.868 -0.394 1.00 0.00 O ATOM 1301 CB GLN B 41 -1.580 -10.440 1.388 1.00 0.00 C ATOM 1302 CG GLN B 41 -1.064 -11.148 0.146 1.00 0.00 C ATOM 1303 CD GLN B 41 -1.809 -12.438 -0.132 1.00 0.00 C ATOM 1304 OE1 GLN B 41 -2.879 -12.347 -0.906 1.00 0.00 O flip ATOM 1305 NE2 GLN B 41 -1.427 -13.505 0.343 1.00 0.00 N flip ATOM 0 H GLN B 41 -1.986 -9.203 3.447 1.00 0.00 H new ATOM 0 HA GLN B 41 0.139 -9.178 1.661 1.00 0.00 H new ATOM 0 HB2 GLN B 41 -1.401 -11.075 2.256 1.00 0.00 H new ATOM 0 HB3 GLN B 41 -2.659 -10.316 1.300 1.00 0.00 H new ATOM 0 HG2 GLN B 41 -1.158 -10.484 -0.713 1.00 0.00 H new ATOM 0 HG3 GLN B 41 -0.002 -11.363 0.268 1.00 0.00 H new ATOM 0 HE21 GLN B 41 -0.597 -13.532 0.935 1.00 0.00 H new ATOM 0 HE22 GLN B 41 -1.940 -14.364 0.145 1.00 0.00 H new ATOM 1314 N ALA B 42 -2.519 -7.568 0.592 1.00 0.00 N ATOM 1315 CA ALA B 42 -3.016 -6.647 -0.415 1.00 0.00 C ATOM 1316 C ALA B 42 -2.218 -5.356 -0.412 1.00 0.00 C ATOM 1317 O ALA B 42 -1.853 -4.858 -1.468 1.00 0.00 O ATOM 1318 CB ALA B 42 -4.477 -6.362 -0.177 1.00 0.00 C ATOM 0 H ALA B 42 -3.173 -7.748 1.354 1.00 0.00 H new ATOM 0 HA ALA B 42 -2.900 -7.112 -1.394 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -4.841 -5.671 -0.937 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -5.043 -7.292 -0.232 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -4.605 -5.917 0.810 1.00 0.00 H new ATOM 1324 N ILE B 43 -1.950 -4.816 0.773 1.00 0.00 N ATOM 1325 CA ILE B 43 -1.116 -3.625 0.892 1.00 0.00 C ATOM 1326 C ILE B 43 0.262 -3.879 0.298 1.00 0.00 C ATOM 1327 O ILE B 43 0.779 -3.066 -0.460 1.00 0.00 O ATOM 1328 CB ILE B 43 -0.964 -3.173 2.365 1.00 0.00 C ATOM 1329 CG1 ILE B 43 -2.034 -2.139 2.727 1.00 0.00 C ATOM 1330 CG2 ILE B 43 0.429 -2.621 2.628 1.00 0.00 C ATOM 1331 CD1 ILE B 43 -3.443 -2.686 2.721 1.00 0.00 C ATOM 0 H ILE B 43 -2.296 -5.182 1.660 1.00 0.00 H new ATOM 0 HA ILE B 43 -1.614 -2.828 0.339 1.00 0.00 H new ATOM 0 HB ILE B 43 -1.103 -4.048 3.000 1.00 0.00 H new ATOM 0 HG12 ILE B 43 -1.816 -1.736 3.716 1.00 0.00 H new ATOM 0 HG13 ILE B 43 -1.975 -1.308 2.024 1.00 0.00 H new ATOM 0 HG21 ILE B 43 0.507 -2.311 3.670 1.00 0.00 H new ATOM 0 HG22 ILE B 43 1.171 -3.393 2.422 1.00 0.00 H new ATOM 0 HG23 ILE B 43 0.609 -1.763 1.980 1.00 0.00 H new ATOM 0 HD11 ILE B 43 -4.142 -1.893 2.987 1.00 0.00 H new ATOM 0 HD12 ILE B 43 -3.683 -3.063 1.727 1.00 0.00 H new ATOM 0 HD13 ILE B 43 -3.521 -3.497 3.445 1.00 0.00 H new ATOM 1343 N GLU B 44 0.843 -5.011 0.652 1.00 0.00 N ATOM 1344 CA GLU B 44 2.171 -5.374 0.176 1.00 0.00 C ATOM 1345 C GLU B 44 2.184 -5.518 -1.338 1.00 0.00 C ATOM 1346 O GLU B 44 3.104 -5.047 -1.998 1.00 0.00 O ATOM 1347 CB GLU B 44 2.641 -6.673 0.831 1.00 0.00 C ATOM 1348 CG GLU B 44 2.766 -6.595 2.343 1.00 0.00 C ATOM 1349 CD GLU B 44 3.259 -7.891 2.953 1.00 0.00 C ATOM 1350 OE1 GLU B 44 2.423 -8.753 3.297 1.00 0.00 O ATOM 1351 OE2 GLU B 44 4.487 -8.054 3.091 1.00 0.00 O ATOM 0 H GLU B 44 0.415 -5.700 1.271 1.00 0.00 H new ATOM 0 HA GLU B 44 2.857 -4.573 0.453 1.00 0.00 H new ATOM 0 HB2 GLU B 44 1.942 -7.470 0.575 1.00 0.00 H new ATOM 0 HB3 GLU B 44 3.608 -6.950 0.411 1.00 0.00 H new ATOM 0 HG2 GLU B 44 3.452 -5.790 2.606 1.00 0.00 H new ATOM 0 HG3 GLU B 44 1.796 -6.341 2.772 1.00 0.00 H new ATOM 1358 N GLU B 45 1.168 -6.171 -1.883 1.00 0.00 N ATOM 1359 CA GLU B 45 1.022 -6.273 -3.328 1.00 0.00 C ATOM 1360 C GLU B 45 0.784 -4.891 -3.921 1.00 0.00 C ATOM 1361 O GLU B 45 1.312 -4.553 -4.979 1.00 0.00 O ATOM 1362 CB GLU B 45 -0.140 -7.204 -3.685 1.00 0.00 C ATOM 1363 CG GLU B 45 0.085 -8.653 -3.282 1.00 0.00 C ATOM 1364 CD GLU B 45 1.195 -9.314 -4.070 1.00 0.00 C ATOM 1365 OE1 GLU B 45 2.375 -9.163 -3.694 1.00 0.00 O ATOM 1366 OE2 GLU B 45 0.886 -9.999 -5.066 1.00 0.00 O ATOM 0 H GLU B 45 0.435 -6.637 -1.349 1.00 0.00 H new ATOM 0 HA GLU B 45 1.939 -6.689 -3.744 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -1.046 -6.839 -3.202 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -0.312 -7.159 -4.760 1.00 0.00 H new ATOM 0 HG2 GLU B 45 0.324 -8.697 -2.219 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -0.839 -9.213 -3.425 1.00 0.00 H new ATOM 1373 N ALA B 46 0.006 -4.085 -3.205 1.00 0.00 N ATOM 1374 CA ALA B 46 -0.317 -2.742 -3.645 1.00 0.00 C ATOM 1375 C ALA B 46 0.933 -1.898 -3.761 1.00 0.00 C ATOM 1376 O ALA B 46 1.221 -1.323 -4.808 1.00 0.00 O ATOM 1377 CB ALA B 46 -1.286 -2.082 -2.675 1.00 0.00 C ATOM 0 H ALA B 46 -0.412 -4.346 -2.312 1.00 0.00 H new ATOM 0 HA ALA B 46 -0.785 -2.816 -4.627 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -1.517 -1.075 -3.021 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -2.204 -2.668 -2.623 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -0.832 -2.030 -1.686 1.00 0.00 H new ATOM 1383 N ILE B 47 1.679 -1.848 -2.672 1.00 0.00 N ATOM 1384 CA ILE B 47 2.861 -1.039 -2.590 1.00 0.00 C ATOM 1385 C ILE B 47 3.978 -1.624 -3.464 1.00 0.00 C ATOM 1386 O ILE B 47 4.867 -0.907 -3.921 1.00 0.00 O ATOM 1387 CB ILE B 47 3.307 -0.905 -1.116 1.00 0.00 C ATOM 1388 CG1 ILE B 47 4.349 0.200 -0.961 1.00 0.00 C ATOM 1389 CG2 ILE B 47 3.815 -2.233 -0.575 1.00 0.00 C ATOM 1390 CD1 ILE B 47 4.867 0.324 0.452 1.00 0.00 C ATOM 0 H ILE B 47 1.473 -2.373 -1.822 1.00 0.00 H new ATOM 0 HA ILE B 47 2.637 -0.042 -2.969 1.00 0.00 H new ATOM 0 HB ILE B 47 2.437 -0.623 -0.523 1.00 0.00 H new ATOM 0 HG12 ILE B 47 5.184 0.002 -1.633 1.00 0.00 H new ATOM 0 HG13 ILE B 47 3.912 1.150 -1.267 1.00 0.00 H new ATOM 0 HG21 ILE B 47 4.122 -2.109 0.464 1.00 0.00 H new ATOM 0 HG22 ILE B 47 3.021 -2.977 -0.632 1.00 0.00 H new ATOM 0 HG23 ILE B 47 4.667 -2.565 -1.168 1.00 0.00 H new ATOM 0 HD11 ILE B 47 5.604 1.125 0.500 1.00 0.00 H new ATOM 0 HD12 ILE B 47 4.040 0.551 1.124 1.00 0.00 H new ATOM 0 HD13 ILE B 47 5.332 -0.615 0.753 1.00 0.00 H new ATOM 1402 N LYS B 48 3.905 -2.928 -3.720 1.00 0.00 N ATOM 1403 CA LYS B 48 4.859 -3.596 -4.592 1.00 0.00 C ATOM 1404 C LYS B 48 4.676 -3.140 -6.031 1.00 0.00 C ATOM 1405 O LYS B 48 5.594 -2.581 -6.636 1.00 0.00 O ATOM 1406 CB LYS B 48 4.683 -5.112 -4.511 1.00 0.00 C ATOM 1407 CG LYS B 48 5.533 -5.898 -5.504 1.00 0.00 C ATOM 1408 CD LYS B 48 6.672 -6.644 -4.825 1.00 0.00 C ATOM 1409 CE LYS B 48 7.723 -5.701 -4.268 1.00 0.00 C ATOM 1410 NZ LYS B 48 8.814 -6.437 -3.578 1.00 0.00 N ATOM 0 H LYS B 48 3.190 -3.543 -3.332 1.00 0.00 H new ATOM 0 HA LYS B 48 5.864 -3.333 -4.261 1.00 0.00 H new ATOM 0 HB2 LYS B 48 4.928 -5.441 -3.501 1.00 0.00 H new ATOM 0 HB3 LYS B 48 3.633 -5.353 -4.679 1.00 0.00 H new ATOM 0 HG2 LYS B 48 4.902 -6.610 -6.036 1.00 0.00 H new ATOM 0 HG3 LYS B 48 5.942 -5.215 -6.249 1.00 0.00 H new ATOM 0 HD2 LYS B 48 6.272 -7.257 -4.018 1.00 0.00 H new ATOM 0 HD3 LYS B 48 7.137 -7.322 -5.540 1.00 0.00 H new ATOM 0 HE2 LYS B 48 8.143 -5.105 -5.078 1.00 0.00 H new ATOM 0 HE3 LYS B 48 7.255 -5.006 -3.570 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 9.512 -5.759 -3.211 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 8.417 -6.986 -2.789 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 9.277 -7.081 -4.250 1.00 0.00 H new ATOM 1424 N GLU B 49 3.481 -3.365 -6.568 1.00 0.00 N ATOM 1425 CA GLU B 49 3.181 -2.973 -7.935 1.00 0.00 C ATOM 1426 C GLU B 49 3.247 -1.465 -8.094 1.00 0.00 C ATOM 1427 O GLU B 49 3.352 -0.955 -9.204 1.00 0.00 O ATOM 1428 CB GLU B 49 1.801 -3.480 -8.385 1.00 0.00 C ATOM 1429 CG GLU B 49 1.783 -4.918 -8.904 1.00 0.00 C ATOM 1430 CD GLU B 49 1.785 -5.960 -7.810 1.00 0.00 C ATOM 1431 OE1 GLU B 49 2.875 -6.344 -7.341 1.00 0.00 O ATOM 1432 OE2 GLU B 49 0.686 -6.424 -7.444 1.00 0.00 O ATOM 0 H GLU B 49 2.709 -3.815 -6.077 1.00 0.00 H new ATOM 0 HA GLU B 49 3.938 -3.434 -8.570 1.00 0.00 H new ATOM 0 HB2 GLU B 49 1.110 -3.403 -7.545 1.00 0.00 H new ATOM 0 HB3 GLU B 49 1.425 -2.821 -9.168 1.00 0.00 H new ATOM 0 HG2 GLU B 49 0.899 -5.059 -9.526 1.00 0.00 H new ATOM 0 HG3 GLU B 49 2.651 -5.075 -9.544 1.00 0.00 H new ATOM 1439 N TYR B 50 3.208 -0.758 -6.982 1.00 0.00 N ATOM 1440 CA TYR B 50 3.264 0.679 -6.999 1.00 0.00 C ATOM 1441 C TYR B 50 4.673 1.147 -7.306 1.00 0.00 C ATOM 1442 O TYR B 50 4.874 2.011 -8.156 1.00 0.00 O ATOM 1443 CB TYR B 50 2.789 1.210 -5.660 1.00 0.00 C ATOM 1444 CG TYR B 50 3.018 2.677 -5.434 1.00 0.00 C ATOM 1445 CD1 TYR B 50 2.294 3.635 -6.126 1.00 0.00 C ATOM 1446 CD2 TYR B 50 3.935 3.097 -4.487 1.00 0.00 C ATOM 1447 CE1 TYR B 50 2.487 4.978 -5.883 1.00 0.00 C ATOM 1448 CE2 TYR B 50 4.130 4.435 -4.229 1.00 0.00 C ATOM 1449 CZ TYR B 50 3.404 5.376 -4.931 1.00 0.00 C ATOM 1450 OH TYR B 50 3.588 6.716 -4.678 1.00 0.00 O ATOM 0 H TYR B 50 3.137 -1.166 -6.050 1.00 0.00 H new ATOM 0 HA TYR B 50 2.611 1.064 -7.782 1.00 0.00 H new ATOM 0 HB2 TYR B 50 1.722 1.007 -5.565 1.00 0.00 H new ATOM 0 HB3 TYR B 50 3.292 0.654 -4.868 1.00 0.00 H new ATOM 0 HD1 TYR B 50 1.570 3.325 -6.865 1.00 0.00 H new ATOM 0 HD2 TYR B 50 4.508 2.362 -3.941 1.00 0.00 H new ATOM 0 HE1 TYR B 50 1.923 5.716 -6.435 1.00 0.00 H new ATOM 0 HE2 TYR B 50 4.846 4.746 -3.483 1.00 0.00 H new ATOM 0 HH TYR B 50 3.853 6.839 -3.742 1.00 0.00 H new ATOM 1460 N LEU B 51 5.648 0.557 -6.628 1.00 0.00 N ATOM 1461 CA LEU B 51 7.043 0.868 -6.894 1.00 0.00 C ATOM 1462 C LEU B 51 7.418 0.482 -8.315 1.00 0.00 C ATOM 1463 O LEU B 51 8.139 1.208 -8.990 1.00 0.00 O ATOM 1464 CB LEU B 51 7.983 0.166 -5.913 1.00 0.00 C ATOM 1465 CG LEU B 51 8.351 0.955 -4.651 1.00 0.00 C ATOM 1466 CD1 LEU B 51 8.113 2.449 -4.836 1.00 0.00 C ATOM 1467 CD2 LEU B 51 7.600 0.419 -3.446 1.00 0.00 C ATOM 0 H LEU B 51 5.499 -0.136 -5.894 1.00 0.00 H new ATOM 0 HA LEU B 51 7.157 1.944 -6.765 1.00 0.00 H new ATOM 0 HB2 LEU B 51 7.522 -0.773 -5.608 1.00 0.00 H new ATOM 0 HB3 LEU B 51 8.903 -0.087 -6.440 1.00 0.00 H new ATOM 0 HG LEU B 51 9.418 0.820 -4.471 1.00 0.00 H new ATOM 0 HD11 LEU B 51 8.385 2.977 -3.922 1.00 0.00 H new ATOM 0 HD12 LEU B 51 8.724 2.815 -5.661 1.00 0.00 H new ATOM 0 HD13 LEU B 51 7.060 2.625 -5.057 1.00 0.00 H new ATOM 0 HD21 LEU B 51 7.875 0.993 -2.561 1.00 0.00 H new ATOM 0 HD22 LEU B 51 6.527 0.508 -3.617 1.00 0.00 H new ATOM 0 HD23 LEU B 51 7.857 -0.629 -3.294 1.00 0.00 H new ATOM 1479 N GLN B 52 6.904 -0.648 -8.774 1.00 0.00 N ATOM 1480 CA GLN B 52 7.239 -1.138 -10.107 1.00 0.00 C ATOM 1481 C GLN B 52 6.515 -0.352 -11.192 1.00 0.00 C ATOM 1482 O GLN B 52 7.009 -0.228 -12.312 1.00 0.00 O ATOM 1483 CB GLN B 52 6.926 -2.630 -10.241 1.00 0.00 C ATOM 1484 CG GLN B 52 8.081 -3.540 -9.845 1.00 0.00 C ATOM 1485 CD GLN B 52 8.467 -3.423 -8.383 1.00 0.00 C ATOM 1486 OE1 GLN B 52 7.873 -4.258 -7.550 1.00 0.00 O flip ATOM 1487 NE2 GLN B 52 9.299 -2.598 -8.008 1.00 0.00 N flip ATOM 0 H GLN B 52 6.259 -1.240 -8.251 1.00 0.00 H new ATOM 0 HA GLN B 52 8.311 -0.993 -10.241 1.00 0.00 H new ATOM 0 HB2 GLN B 52 6.061 -2.867 -9.622 1.00 0.00 H new ATOM 0 HB3 GLN B 52 6.647 -2.842 -11.273 1.00 0.00 H new ATOM 0 HG2 GLN B 52 7.809 -4.574 -10.060 1.00 0.00 H new ATOM 0 HG3 GLN B 52 8.948 -3.304 -10.462 1.00 0.00 H new ATOM 0 HE21 GLN B 52 9.735 -1.970 -8.683 1.00 0.00 H new ATOM 0 HE22 GLN B 52 9.553 -2.542 -7.022 1.00 0.00 H new