USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 736 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 Single : A 19 TYR OH : rot 30:sc= -0.814 USER MOD Single : A 21 GLN : amide:sc= -0.319 X(o=-0.32,f=-0.087) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN : amide:sc= -0.694 K(o=-0.69,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -170:sc= -2.16! USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot -130:sc= -2.94 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 TYR OH : rot 30:sc= -0.899 USER MOD Single : B 21 GLN : amide:sc= -0.32 X(o=-0.32,f=-0.086) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 24 ASN : amide:sc= -1.16 K(o=-1.2,f=-0.067) USER MOD Single : B 26 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot -170:sc= -2.16! USER MOD Single : B 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 38 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 51 TYR OH : rot -130:sc= -3.01 USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 72 N CYS A 16 -12.671 12.832 7.583 1.00 0.00 N ATOM 73 CA CYS A 16 -12.381 11.373 7.689 1.00 0.00 C ATOM 74 C CYS A 16 -10.870 11.126 7.633 1.00 0.00 C ATOM 75 O CYS A 16 -10.369 10.159 8.171 1.00 0.00 O ATOM 76 CB CYS A 16 -13.070 10.744 6.479 1.00 0.00 C ATOM 77 SG CYS A 16 -14.626 9.979 6.993 1.00 0.00 S ATOM 0 HA CYS A 16 -12.737 10.950 8.628 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -13.260 11.504 5.721 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -12.419 9.997 6.025 1.00 0.00 H new ATOM 82 N GLU A 17 -10.145 11.992 6.983 1.00 0.00 N ATOM 83 CA GLU A 17 -8.668 11.807 6.887 1.00 0.00 C ATOM 84 C GLU A 17 -7.983 12.331 8.153 1.00 0.00 C ATOM 85 O GLU A 17 -6.987 11.796 8.597 1.00 0.00 O ATOM 86 CB GLU A 17 -8.247 12.627 5.668 1.00 0.00 C ATOM 87 CG GLU A 17 -6.824 12.244 5.260 1.00 0.00 C ATOM 88 CD GLU A 17 -6.405 13.070 4.042 1.00 0.00 C ATOM 89 OE1 GLU A 17 -6.765 14.234 3.989 1.00 0.00 O ATOM 90 OE2 GLU A 17 -5.731 12.525 3.185 1.00 0.00 O ATOM 0 H GLU A 17 -10.510 12.821 6.513 1.00 0.00 H new ATOM 0 HA GLU A 17 -8.388 10.758 6.790 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.934 12.447 4.841 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.296 13.691 5.898 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.137 12.421 6.087 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.775 11.180 5.026 1.00 0.00 H new ATOM 97 N LEU A 18 -8.509 13.374 8.734 1.00 0.00 N ATOM 98 CA LEU A 18 -7.885 13.930 9.969 1.00 0.00 C ATOM 99 C LEU A 18 -8.278 13.091 11.189 1.00 0.00 C ATOM 100 O LEU A 18 -7.613 13.106 12.205 1.00 0.00 O ATOM 101 CB LEU A 18 -8.445 15.347 10.094 1.00 0.00 C ATOM 102 CG LEU A 18 -7.299 16.331 10.329 1.00 0.00 C ATOM 103 CD1 LEU A 18 -6.555 15.950 11.611 1.00 0.00 C ATOM 104 CD2 LEU A 18 -6.333 16.277 9.145 1.00 0.00 C ATOM 0 H LEU A 18 -9.342 13.865 8.408 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.796 13.923 9.917 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.989 15.616 9.188 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.156 15.397 10.919 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.699 17.340 10.427 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.738 16.651 11.779 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.243 15.986 12.455 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.153 14.941 11.513 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.515 16.978 9.311 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.932 15.268 9.048 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.862 16.546 8.231 1.00 0.00 H new ATOM 116 N TYR A 19 -9.354 12.360 11.094 1.00 0.00 N ATOM 117 CA TYR A 19 -9.793 11.522 12.246 1.00 0.00 C ATOM 118 C TYR A 19 -8.757 10.435 12.538 1.00 0.00 C ATOM 119 O TYR A 19 -8.315 10.267 13.656 1.00 0.00 O ATOM 120 CB TYR A 19 -11.113 10.897 11.797 1.00 0.00 C ATOM 121 CG TYR A 19 -11.629 9.974 12.874 1.00 0.00 C ATOM 122 CD1 TYR A 19 -12.286 10.506 14.006 1.00 0.00 C ATOM 123 CD2 TYR A 19 -11.455 8.576 12.751 1.00 0.00 C ATOM 124 CE1 TYR A 19 -12.771 9.644 15.012 1.00 0.00 C ATOM 125 CE2 TYR A 19 -11.940 7.712 13.758 1.00 0.00 C ATOM 126 CZ TYR A 19 -12.598 8.246 14.890 1.00 0.00 C ATOM 127 OH TYR A 19 -13.073 7.403 15.873 1.00 0.00 O ATOM 0 H TYR A 19 -9.949 12.306 10.267 1.00 0.00 H new ATOM 0 HA TYR A 19 -9.906 12.104 13.161 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -11.845 11.678 11.592 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -10.968 10.344 10.869 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -12.417 11.574 14.101 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -10.951 8.169 11.887 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -13.275 10.052 15.876 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -11.808 6.644 13.663 1.00 0.00 H new ATOM 0 HH TYR A 19 -13.862 7.804 16.295 1.00 0.00 H new ATOM 137 N VAL A 20 -8.371 9.693 11.539 1.00 0.00 N ATOM 138 CA VAL A 20 -7.366 8.612 11.756 1.00 0.00 C ATOM 139 C VAL A 20 -5.975 9.213 11.982 1.00 0.00 C ATOM 140 O VAL A 20 -5.202 8.731 12.788 1.00 0.00 O ATOM 141 CB VAL A 20 -7.389 7.774 10.474 1.00 0.00 C ATOM 142 CG1 VAL A 20 -8.818 7.306 10.192 1.00 0.00 C ATOM 143 CG2 VAL A 20 -6.887 8.611 9.292 1.00 0.00 C ATOM 0 H VAL A 20 -8.707 9.787 10.581 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.597 8.012 12.636 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.739 6.909 10.604 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.832 6.710 9.279 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -9.174 6.701 11.026 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.467 8.173 10.069 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.907 8.008 8.385 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.531 9.481 9.163 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.866 8.940 9.487 1.00 0.00 H new ATOM 153 N GLN A 21 -5.649 10.257 11.271 1.00 0.00 N ATOM 154 CA GLN A 21 -4.306 10.886 11.439 1.00 0.00 C ATOM 155 C GLN A 21 -4.072 11.266 12.903 1.00 0.00 C ATOM 156 O GLN A 21 -2.951 11.441 13.336 1.00 0.00 O ATOM 157 CB GLN A 21 -4.343 12.138 10.560 1.00 0.00 C ATOM 158 CG GLN A 21 -3.037 12.243 9.768 1.00 0.00 C ATOM 159 CD GLN A 21 -2.219 13.425 10.290 1.00 0.00 C ATOM 160 OE1 GLN A 21 -1.043 13.290 10.564 1.00 0.00 O ATOM 161 NE2 GLN A 21 -2.796 14.586 10.441 1.00 0.00 N ATOM 0 H GLN A 21 -6.253 10.703 10.581 1.00 0.00 H new ATOM 0 HA GLN A 21 -3.498 10.211 11.157 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -5.192 12.092 9.878 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -4.479 13.026 11.178 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -2.465 11.320 9.865 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -3.252 12.375 8.708 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -3.783 14.699 10.211 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -2.260 15.381 10.789 1.00 0.00 H new ATOM 170 N LYS A 22 -5.120 11.399 13.669 1.00 0.00 N ATOM 171 CA LYS A 22 -4.951 11.775 15.103 1.00 0.00 C ATOM 172 C LYS A 22 -4.623 10.539 15.949 1.00 0.00 C ATOM 173 O LYS A 22 -3.818 10.599 16.856 1.00 0.00 O ATOM 174 CB LYS A 22 -6.300 12.364 15.519 1.00 0.00 C ATOM 175 CG LYS A 22 -6.085 13.415 16.609 1.00 0.00 C ATOM 176 CD LYS A 22 -7.281 14.367 16.641 1.00 0.00 C ATOM 177 CE LYS A 22 -8.092 14.128 17.917 1.00 0.00 C ATOM 178 NZ LYS A 22 -7.439 14.978 18.953 1.00 0.00 N ATOM 0 H LYS A 22 -6.084 11.264 13.366 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.132 12.480 15.247 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.793 12.814 14.657 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -6.956 11.574 15.885 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -5.966 12.930 17.578 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.168 13.972 16.416 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.937 15.401 16.605 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.909 14.209 15.764 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.137 14.407 17.779 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -8.078 13.076 18.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -7.939 14.868 19.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.448 14.685 19.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -7.474 15.974 18.657 1.00 0.00 H new ATOM 192 N HIS A 23 -5.237 9.424 15.663 1.00 0.00 N ATOM 193 CA HIS A 23 -4.952 8.197 16.461 1.00 0.00 C ATOM 194 C HIS A 23 -5.576 6.964 15.802 1.00 0.00 C ATOM 195 O HIS A 23 -6.663 6.547 16.148 1.00 0.00 O ATOM 196 CB HIS A 23 -5.593 8.457 17.827 1.00 0.00 C ATOM 197 CG HIS A 23 -4.896 7.636 18.876 1.00 0.00 C ATOM 198 ND1 HIS A 23 -5.370 6.401 19.286 1.00 0.00 N ATOM 199 CD2 HIS A 23 -3.756 7.861 19.610 1.00 0.00 C ATOM 200 CE1 HIS A 23 -4.530 5.933 20.227 1.00 0.00 C ATOM 201 NE2 HIS A 23 -3.528 6.784 20.464 1.00 0.00 N ATOM 0 H HIS A 23 -5.921 9.309 14.915 1.00 0.00 H new ATOM 0 HA HIS A 23 -3.883 8.000 16.538 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -5.526 9.516 18.076 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -6.653 8.203 17.797 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -3.132 8.739 19.536 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -4.651 4.985 20.730 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -2.761 6.670 21.127 1.00 0.00 H new ATOM 209 N ASN A 24 -4.891 6.374 14.859 1.00 0.00 N ATOM 210 CA ASN A 24 -5.441 5.162 14.184 1.00 0.00 C ATOM 211 C ASN A 24 -4.418 4.603 13.191 1.00 0.00 C ATOM 212 O ASN A 24 -3.815 3.573 13.425 1.00 0.00 O ATOM 213 CB ASN A 24 -6.706 5.636 13.461 1.00 0.00 C ATOM 214 CG ASN A 24 -7.820 4.608 13.658 1.00 0.00 C ATOM 215 OD1 ASN A 24 -8.877 4.926 14.167 1.00 0.00 O ATOM 216 ND2 ASN A 24 -7.629 3.374 13.271 1.00 0.00 N ATOM 0 H ASN A 24 -3.976 6.678 14.527 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.664 4.362 14.890 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.018 6.605 13.849 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.503 5.769 12.398 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -8.366 2.680 13.396 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.743 3.105 12.844 1.00 0.00 H new ATOM 223 N ILE A 25 -4.213 5.268 12.090 1.00 0.00 N ATOM 224 CA ILE A 25 -3.225 4.770 11.090 1.00 0.00 C ATOM 225 C ILE A 25 -1.839 5.367 11.362 1.00 0.00 C ATOM 226 O ILE A 25 -0.838 4.881 10.872 1.00 0.00 O ATOM 227 CB ILE A 25 -3.764 5.235 9.735 1.00 0.00 C ATOM 228 CG1 ILE A 25 -5.083 4.516 9.444 1.00 0.00 C ATOM 229 CG2 ILE A 25 -2.754 4.903 8.635 1.00 0.00 C ATOM 230 CD1 ILE A 25 -6.057 5.486 8.773 1.00 0.00 C ATOM 0 H ILE A 25 -4.686 6.136 11.838 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.108 3.687 11.129 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.928 6.312 9.761 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.906 3.657 8.797 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -5.513 4.135 10.370 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.142 5.236 7.672 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.811 5.410 8.841 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.588 3.826 8.607 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.996 4.973 8.566 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -6.243 6.331 9.436 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.626 5.846 7.839 1.00 0.00 H new ATOM 242 N GLN A 26 -1.769 6.419 12.135 1.00 0.00 N ATOM 243 CA GLN A 26 -0.445 7.041 12.429 1.00 0.00 C ATOM 244 C GLN A 26 0.537 5.988 12.949 1.00 0.00 C ATOM 245 O GLN A 26 1.735 6.115 12.798 1.00 0.00 O ATOM 246 CB GLN A 26 -0.726 8.090 13.505 1.00 0.00 C ATOM 247 CG GLN A 26 0.570 8.831 13.845 1.00 0.00 C ATOM 248 CD GLN A 26 0.251 10.056 14.705 1.00 0.00 C ATOM 249 OE1 GLN A 26 -0.642 10.016 15.529 1.00 0.00 O ATOM 250 NE2 GLN A 26 0.947 11.146 14.548 1.00 0.00 N ATOM 0 H GLN A 26 -2.570 6.873 12.574 1.00 0.00 H new ATOM 0 HA GLN A 26 0.006 7.481 11.540 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -1.479 8.795 13.153 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -1.129 7.612 14.398 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.251 8.167 14.378 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.076 9.138 12.930 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.696 11.178 13.856 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.743 11.968 15.117 1.00 0.00 H new ATOM 259 N ALA A 27 0.041 4.947 13.563 1.00 0.00 N ATOM 260 CA ALA A 27 0.951 3.890 14.091 1.00 0.00 C ATOM 261 C ALA A 27 1.903 3.410 12.991 1.00 0.00 C ATOM 262 O ALA A 27 3.068 3.162 13.228 1.00 0.00 O ATOM 263 CB ALA A 27 0.027 2.755 14.534 1.00 0.00 C ATOM 0 H ALA A 27 -0.953 4.783 13.721 1.00 0.00 H new ATOM 0 HA ALA A 27 1.572 4.253 14.910 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.624 1.936 14.936 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.654 3.119 15.303 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.548 2.399 13.679 1.00 0.00 H new ATOM 269 N LEU A 28 1.414 3.279 11.788 1.00 0.00 N ATOM 270 CA LEU A 28 2.291 2.818 10.673 1.00 0.00 C ATOM 271 C LEU A 28 3.256 3.938 10.261 1.00 0.00 C ATOM 272 O LEU A 28 4.437 3.720 10.088 1.00 0.00 O ATOM 273 CB LEU A 28 1.329 2.488 9.527 1.00 0.00 C ATOM 274 CG LEU A 28 2.122 2.188 8.253 1.00 0.00 C ATOM 275 CD1 LEU A 28 1.462 1.032 7.497 1.00 0.00 C ATOM 276 CD2 LEU A 28 2.140 3.431 7.362 1.00 0.00 C ATOM 0 H LEU A 28 0.446 3.471 11.529 1.00 0.00 H new ATOM 0 HA LEU A 28 2.902 1.960 10.953 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.713 1.629 9.793 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.652 3.325 9.356 1.00 0.00 H new ATOM 0 HG LEU A 28 3.143 1.912 8.518 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.028 0.820 6.590 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.446 0.145 8.130 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.441 1.307 7.231 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.704 3.220 6.454 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.118 3.705 7.099 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.610 4.256 7.898 1.00 0.00 H new ATOM 288 N LEU A 29 2.755 5.132 10.098 1.00 0.00 N ATOM 289 CA LEU A 29 3.633 6.268 9.686 1.00 0.00 C ATOM 290 C LEU A 29 4.892 6.331 10.558 1.00 0.00 C ATOM 291 O LEU A 29 5.933 6.781 10.126 1.00 0.00 O ATOM 292 CB LEU A 29 2.778 7.519 9.888 1.00 0.00 C ATOM 293 CG LEU A 29 2.038 7.845 8.589 1.00 0.00 C ATOM 294 CD1 LEU A 29 1.032 6.733 8.278 1.00 0.00 C ATOM 295 CD2 LEU A 29 1.294 9.174 8.742 1.00 0.00 C ATOM 0 H LEU A 29 1.773 5.372 10.232 1.00 0.00 H new ATOM 0 HA LEU A 29 3.976 6.164 8.657 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.064 7.358 10.696 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.407 8.359 10.182 1.00 0.00 H new ATOM 0 HG LEU A 29 2.758 7.923 7.774 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.506 6.967 7.352 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.560 5.786 8.166 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.313 6.654 9.094 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.767 9.405 7.816 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.576 9.097 9.558 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.008 9.968 8.961 1.00 0.00 H new ATOM 307 N LYS A 30 4.807 5.888 11.782 1.00 0.00 N ATOM 308 CA LYS A 30 6.003 5.932 12.672 1.00 0.00 C ATOM 309 C LYS A 30 7.177 5.191 12.023 1.00 0.00 C ATOM 310 O LYS A 30 8.056 5.793 11.440 1.00 0.00 O ATOM 311 CB LYS A 30 5.569 5.228 13.957 1.00 0.00 C ATOM 312 CG LYS A 30 5.335 6.270 15.054 1.00 0.00 C ATOM 313 CD LYS A 30 5.495 5.615 16.426 1.00 0.00 C ATOM 314 CE LYS A 30 5.672 6.698 17.491 1.00 0.00 C ATOM 315 NZ LYS A 30 7.017 6.442 18.079 1.00 0.00 N ATOM 0 H LYS A 30 3.964 5.498 12.204 1.00 0.00 H new ATOM 0 HA LYS A 30 6.338 6.952 12.860 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.657 4.657 13.782 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.334 4.518 14.272 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.044 7.091 14.947 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.337 6.696 14.958 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.621 5.005 16.654 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.357 4.948 16.424 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.615 7.695 17.054 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.891 6.638 18.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.212 7.146 18.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.039 5.488 18.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.740 6.513 17.335 1.00 0.00 H new ATOM 329 N ASP A 31 7.198 3.891 12.124 1.00 0.00 N ATOM 330 CA ASP A 31 8.320 3.115 11.517 1.00 0.00 C ATOM 331 C ASP A 31 8.282 3.232 9.990 1.00 0.00 C ATOM 332 O ASP A 31 9.300 3.171 9.329 1.00 0.00 O ATOM 333 CB ASP A 31 8.078 1.669 11.948 1.00 0.00 C ATOM 334 CG ASP A 31 9.394 0.889 11.883 1.00 0.00 C ATOM 335 OD1 ASP A 31 10.316 1.265 12.586 1.00 0.00 O ATOM 336 OD2 ASP A 31 9.455 -0.068 11.130 1.00 0.00 O ATOM 0 H ASP A 31 6.489 3.332 12.599 1.00 0.00 H new ATOM 0 HA ASP A 31 9.295 3.480 11.839 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.677 1.643 12.961 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.335 1.205 11.299 1.00 0.00 H new ATOM 341 N SER A 32 7.119 3.396 9.425 1.00 0.00 N ATOM 342 CA SER A 32 7.020 3.513 7.942 1.00 0.00 C ATOM 343 C SER A 32 7.931 4.635 7.435 1.00 0.00 C ATOM 344 O SER A 32 8.844 4.406 6.668 1.00 0.00 O ATOM 345 CB SER A 32 5.556 3.849 7.666 1.00 0.00 C ATOM 346 OG SER A 32 5.376 4.066 6.273 1.00 0.00 O ATOM 0 H SER A 32 6.232 3.454 9.925 1.00 0.00 H new ATOM 0 HA SER A 32 7.331 2.599 7.437 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.915 3.035 8.004 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.264 4.738 8.225 1.00 0.00 H new ATOM 0 HG SER A 32 4.482 4.434 6.112 1.00 0.00 H new ATOM 352 N ILE A 33 7.691 5.846 7.858 1.00 0.00 N ATOM 353 CA ILE A 33 8.544 6.980 7.398 1.00 0.00 C ATOM 354 C ILE A 33 10.019 6.681 7.684 1.00 0.00 C ATOM 355 O ILE A 33 10.881 6.918 6.861 1.00 0.00 O ATOM 356 CB ILE A 33 8.069 8.190 8.206 1.00 0.00 C ATOM 357 CG1 ILE A 33 6.627 8.529 7.815 1.00 0.00 C ATOM 358 CG2 ILE A 33 8.969 9.390 7.912 1.00 0.00 C ATOM 359 CD1 ILE A 33 6.003 9.417 8.892 1.00 0.00 C ATOM 0 H ILE A 33 6.942 6.100 8.502 1.00 0.00 H new ATOM 0 HA ILE A 33 8.459 7.153 6.325 1.00 0.00 H new ATOM 0 HB ILE A 33 8.115 7.955 9.269 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.610 9.040 6.852 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.045 7.614 7.700 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.629 10.250 8.489 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.996 9.151 8.189 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.925 9.626 6.849 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.977 9.659 8.615 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.006 8.889 9.846 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.580 10.337 8.984 1.00 0.00 H new ATOM 371 N VAL A 34 10.317 6.161 8.843 1.00 0.00 N ATOM 372 CA VAL A 34 11.736 5.849 9.179 1.00 0.00 C ATOM 373 C VAL A 34 12.288 4.799 8.210 1.00 0.00 C ATOM 374 O VAL A 34 13.484 4.654 8.054 1.00 0.00 O ATOM 375 CB VAL A 34 11.693 5.299 10.605 1.00 0.00 C ATOM 376 CG1 VAL A 34 13.091 4.825 11.014 1.00 0.00 C ATOM 377 CG2 VAL A 34 11.234 6.402 11.561 1.00 0.00 C ATOM 0 H VAL A 34 9.639 5.938 9.572 1.00 0.00 H new ATOM 0 HA VAL A 34 12.383 6.723 9.101 1.00 0.00 H new ATOM 0 HB VAL A 34 10.997 4.461 10.649 1.00 0.00 H new ATOM 0 HG11 VAL A 34 13.059 4.433 12.031 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.423 4.041 10.333 1.00 0.00 H new ATOM 0 HG13 VAL A 34 13.787 5.663 10.970 1.00 0.00 H new ATOM 0 HG21 VAL A 34 11.203 6.012 12.578 1.00 0.00 H new ATOM 0 HG22 VAL A 34 11.932 7.238 11.514 1.00 0.00 H new ATOM 0 HG23 VAL A 34 10.240 6.743 11.272 1.00 0.00 H new ATOM 387 N GLN A 35 11.427 4.064 7.557 1.00 0.00 N ATOM 388 CA GLN A 35 11.904 3.028 6.599 1.00 0.00 C ATOM 389 C GLN A 35 11.783 3.541 5.162 1.00 0.00 C ATOM 390 O GLN A 35 12.628 3.283 4.328 1.00 0.00 O ATOM 391 CB GLN A 35 10.981 1.830 6.820 1.00 0.00 C ATOM 392 CG GLN A 35 11.516 0.975 7.971 1.00 0.00 C ATOM 393 CD GLN A 35 11.529 -0.496 7.551 1.00 0.00 C ATOM 394 OE1 GLN A 35 12.323 -0.896 6.724 1.00 0.00 O ATOM 395 NE2 GLN A 35 10.677 -1.324 8.091 1.00 0.00 N ATOM 0 H GLN A 35 10.414 4.138 7.647 1.00 0.00 H new ATOM 0 HA GLN A 35 12.951 2.770 6.757 1.00 0.00 H new ATOM 0 HB2 GLN A 35 9.972 2.173 7.047 1.00 0.00 H new ATOM 0 HB3 GLN A 35 10.918 1.234 5.910 1.00 0.00 H new ATOM 0 HG2 GLN A 35 12.522 1.296 8.240 1.00 0.00 H new ATOM 0 HG3 GLN A 35 10.893 1.106 8.856 1.00 0.00 H new ATOM 0 HE21 GLN A 35 10.010 -0.988 8.786 1.00 0.00 H new ATOM 0 HE22 GLN A 35 10.678 -2.307 7.818 1.00 0.00 H new ATOM 404 N LEU A 36 10.738 4.265 4.869 1.00 0.00 N ATOM 405 CA LEU A 36 10.564 4.792 3.486 1.00 0.00 C ATOM 406 C LEU A 36 11.562 5.920 3.209 1.00 0.00 C ATOM 407 O LEU A 36 11.739 6.334 2.079 1.00 0.00 O ATOM 408 CB LEU A 36 9.132 5.323 3.439 1.00 0.00 C ATOM 409 CG LEU A 36 8.167 4.169 3.157 1.00 0.00 C ATOM 410 CD1 LEU A 36 7.024 4.192 4.174 1.00 0.00 C ATOM 411 CD2 LEU A 36 7.595 4.316 1.746 1.00 0.00 C ATOM 0 H LEU A 36 9.998 4.514 5.526 1.00 0.00 H new ATOM 0 HA LEU A 36 10.741 4.024 2.733 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.879 5.799 4.386 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.041 6.085 2.665 1.00 0.00 H new ATOM 0 HG LEU A 36 8.703 3.223 3.237 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.339 3.369 3.970 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.430 4.086 5.180 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.488 5.138 4.097 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.908 3.494 1.545 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.061 5.263 1.667 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.408 4.295 1.020 1.00 0.00 H new ATOM 423 N CYS A 37 12.221 6.422 4.223 1.00 0.00 N ATOM 424 CA CYS A 37 13.211 7.523 4.000 1.00 0.00 C ATOM 425 C CYS A 37 14.159 7.152 2.858 1.00 0.00 C ATOM 426 O CYS A 37 14.411 7.936 1.965 1.00 0.00 O ATOM 427 CB CYS A 37 13.974 7.641 5.321 1.00 0.00 C ATOM 428 SG CYS A 37 13.068 8.732 6.447 1.00 0.00 S ATOM 0 H CYS A 37 12.118 6.120 5.192 1.00 0.00 H new ATOM 0 HA CYS A 37 12.734 8.463 3.723 1.00 0.00 H new ATOM 0 HB2 CYS A 37 14.096 6.656 5.772 1.00 0.00 H new ATOM 0 HB3 CYS A 37 14.974 8.036 5.142 1.00 0.00 H new ATOM 433 N THR A 38 14.676 5.953 2.870 1.00 0.00 N ATOM 434 CA THR A 38 15.591 5.523 1.776 1.00 0.00 C ATOM 435 C THR A 38 14.797 5.351 0.478 1.00 0.00 C ATOM 436 O THR A 38 15.346 5.372 -0.606 1.00 0.00 O ATOM 437 CB THR A 38 16.165 4.185 2.246 1.00 0.00 C ATOM 438 OG1 THR A 38 16.965 4.392 3.400 1.00 0.00 O ATOM 439 CG2 THR A 38 17.022 3.576 1.133 1.00 0.00 C ATOM 0 H THR A 38 14.504 5.253 3.591 1.00 0.00 H new ATOM 0 HA THR A 38 16.379 6.249 1.574 1.00 0.00 H new ATOM 0 HB THR A 38 15.348 3.505 2.487 1.00 0.00 H new ATOM 0 HG1 THR A 38 17.331 3.535 3.702 1.00 0.00 H new ATOM 0 HG21 THR A 38 17.431 2.623 1.469 1.00 0.00 H new ATOM 0 HG22 THR A 38 16.408 3.416 0.247 1.00 0.00 H new ATOM 0 HG23 THR A 38 17.839 4.255 0.890 1.00 0.00 H new ATOM 447 N ALA A 39 13.504 5.182 0.583 1.00 0.00 N ATOM 448 CA ALA A 39 12.659 5.011 -0.637 1.00 0.00 C ATOM 449 C ALA A 39 13.130 3.811 -1.460 1.00 0.00 C ATOM 450 O ALA A 39 13.749 2.897 -0.951 1.00 0.00 O ATOM 451 CB ALA A 39 12.826 6.309 -1.430 1.00 0.00 C ATOM 0 H ALA A 39 12.994 5.155 1.466 1.00 0.00 H new ATOM 0 HA ALA A 39 11.616 4.822 -0.383 1.00 0.00 H new ATOM 0 HB1 ALA A 39 12.232 6.257 -2.343 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.489 7.151 -0.825 1.00 0.00 H new ATOM 0 HB3 ALA A 39 13.876 6.445 -1.688 1.00 0.00 H new ATOM 457 N ARG A 40 12.832 3.806 -2.729 1.00 0.00 N ATOM 458 CA ARG A 40 13.246 2.667 -3.597 1.00 0.00 C ATOM 459 C ARG A 40 12.764 1.332 -3.007 1.00 0.00 C ATOM 460 O ARG A 40 13.531 0.397 -2.894 1.00 0.00 O ATOM 461 CB ARG A 40 14.775 2.720 -3.617 1.00 0.00 C ATOM 462 CG ARG A 40 15.260 2.951 -5.050 1.00 0.00 C ATOM 463 CD ARG A 40 16.416 3.951 -5.046 1.00 0.00 C ATOM 464 NE ARG A 40 16.790 4.111 -6.479 1.00 0.00 N ATOM 465 CZ ARG A 40 17.538 5.115 -6.850 1.00 0.00 C ATOM 466 NH1 ARG A 40 18.505 5.528 -6.079 1.00 0.00 N ATOM 467 NH2 ARG A 40 17.319 5.704 -7.995 1.00 0.00 N ATOM 0 H ARG A 40 12.316 4.546 -3.206 1.00 0.00 H new ATOM 0 HA ARG A 40 12.818 2.740 -4.597 1.00 0.00 H new ATOM 0 HB2 ARG A 40 15.130 3.521 -2.968 1.00 0.00 H new ATOM 0 HB3 ARG A 40 15.187 1.789 -3.228 1.00 0.00 H new ATOM 0 HG2 ARG A 40 15.583 2.008 -5.492 1.00 0.00 H new ATOM 0 HG3 ARG A 40 14.443 3.327 -5.665 1.00 0.00 H new ATOM 0 HD2 ARG A 40 16.114 4.902 -4.608 1.00 0.00 H new ATOM 0 HD3 ARG A 40 17.256 3.582 -4.457 1.00 0.00 H new ATOM 0 HE ARG A 40 16.462 3.437 -7.170 1.00 0.00 H new ATOM 0 HH11 ARG A 40 18.677 5.067 -5.186 1.00 0.00 H new ATOM 0 HH12 ARG A 40 19.089 6.312 -6.369 1.00 0.00 H new ATOM 0 HH21 ARG A 40 16.564 5.380 -8.599 1.00 0.00 H new ATOM 0 HH22 ARG A 40 17.903 6.488 -8.285 1.00 0.00 H new ATOM 481 N PRO A 41 11.501 1.277 -2.655 1.00 0.00 N ATOM 482 CA PRO A 41 10.935 0.032 -2.082 1.00 0.00 C ATOM 483 C PRO A 41 10.715 -1.007 -3.187 1.00 0.00 C ATOM 484 O PRO A 41 10.045 -0.748 -4.166 1.00 0.00 O ATOM 485 CB PRO A 41 9.602 0.479 -1.491 1.00 0.00 C ATOM 486 CG PRO A 41 9.219 1.699 -2.266 1.00 0.00 C ATOM 487 CD PRO A 41 10.493 2.346 -2.749 1.00 0.00 C ATOM 0 HA PRO A 41 11.587 -0.434 -1.344 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.847 -0.302 -1.587 1.00 0.00 H new ATOM 0 HB3 PRO A 41 9.697 0.701 -0.428 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.580 1.434 -3.108 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.652 2.388 -1.641 1.00 0.00 H new ATOM 0 HD2 PRO A 41 10.392 2.709 -3.772 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.763 3.203 -2.132 1.00 0.00 H new ATOM 495 N GLU A 42 11.273 -2.177 -3.039 1.00 0.00 N ATOM 496 CA GLU A 42 11.093 -3.230 -4.084 1.00 0.00 C ATOM 497 C GLU A 42 9.611 -3.375 -4.447 1.00 0.00 C ATOM 498 O GLU A 42 9.189 -3.013 -5.527 1.00 0.00 O ATOM 499 CB GLU A 42 11.620 -4.517 -3.445 1.00 0.00 C ATOM 500 CG GLU A 42 13.086 -4.329 -3.053 1.00 0.00 C ATOM 501 CD GLU A 42 13.945 -5.373 -3.770 1.00 0.00 C ATOM 502 OE1 GLU A 42 13.955 -6.509 -3.326 1.00 0.00 O ATOM 503 OE2 GLU A 42 14.578 -5.019 -4.751 1.00 0.00 O ATOM 0 H GLU A 42 11.846 -2.451 -2.241 1.00 0.00 H new ATOM 0 HA GLU A 42 11.620 -2.988 -5.007 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.027 -4.768 -2.566 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.523 -5.348 -4.143 1.00 0.00 H new ATOM 0 HG2 GLU A 42 13.418 -3.325 -3.318 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.200 -4.428 -1.974 1.00 0.00 H new ATOM 510 N ARG A 43 8.819 -3.897 -3.550 1.00 0.00 N ATOM 511 CA ARG A 43 7.362 -4.060 -3.843 1.00 0.00 C ATOM 512 C ARG A 43 6.533 -3.515 -2.672 1.00 0.00 C ATOM 513 O ARG A 43 6.259 -4.229 -1.727 1.00 0.00 O ATOM 514 CB ARG A 43 7.153 -5.566 -3.998 1.00 0.00 C ATOM 515 CG ARG A 43 7.401 -5.968 -5.453 1.00 0.00 C ATOM 516 CD ARG A 43 6.062 -6.246 -6.141 1.00 0.00 C ATOM 517 NE ARG A 43 6.416 -6.969 -7.394 1.00 0.00 N ATOM 518 CZ ARG A 43 5.686 -6.819 -8.465 1.00 0.00 C ATOM 519 NH1 ARG A 43 4.407 -7.083 -8.427 1.00 0.00 N ATOM 520 NH2 ARG A 43 6.233 -6.404 -9.576 1.00 0.00 N ATOM 0 H ARG A 43 9.115 -4.218 -2.628 1.00 0.00 H new ATOM 0 HA ARG A 43 7.052 -3.517 -4.736 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.831 -6.108 -3.339 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.139 -5.836 -3.703 1.00 0.00 H new ATOM 0 HG2 ARG A 43 7.932 -5.173 -5.976 1.00 0.00 H new ATOM 0 HG3 ARG A 43 8.034 -6.854 -5.494 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.411 -6.849 -5.508 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.529 -5.320 -6.357 1.00 0.00 H new ATOM 0 HE ARG A 43 7.231 -7.583 -7.415 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.979 -7.407 -7.560 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.837 -6.966 -9.265 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.231 -6.197 -9.607 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.662 -6.287 -10.413 1.00 0.00 H new ATOM 534 N PRO A 44 6.164 -2.260 -2.769 1.00 0.00 N ATOM 535 CA PRO A 44 5.365 -1.618 -1.693 1.00 0.00 C ATOM 536 C PRO A 44 3.930 -2.156 -1.680 1.00 0.00 C ATOM 537 O PRO A 44 3.289 -2.208 -0.651 1.00 0.00 O ATOM 538 CB PRO A 44 5.385 -0.138 -2.067 1.00 0.00 C ATOM 539 CG PRO A 44 5.620 -0.116 -3.542 1.00 0.00 C ATOM 540 CD PRO A 44 6.447 -1.329 -3.872 1.00 0.00 C ATOM 0 HA PRO A 44 5.765 -1.811 -0.697 1.00 0.00 H new ATOM 0 HB2 PRO A 44 4.443 0.347 -1.810 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.173 0.393 -1.534 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.674 -0.135 -4.084 1.00 0.00 H new ATOM 0 HG3 PRO A 44 6.138 0.796 -3.837 1.00 0.00 H new ATOM 0 HD2 PRO A 44 6.166 -1.754 -4.836 1.00 0.00 H new ATOM 0 HD3 PRO A 44 7.508 -1.086 -3.928 1.00 0.00 H new ATOM 548 N MET A 45 3.421 -2.553 -2.814 1.00 0.00 N ATOM 549 CA MET A 45 2.026 -3.082 -2.858 1.00 0.00 C ATOM 550 C MET A 45 1.834 -4.177 -1.805 1.00 0.00 C ATOM 551 O MET A 45 0.914 -4.137 -1.013 1.00 0.00 O ATOM 552 CB MET A 45 1.863 -3.656 -4.266 1.00 0.00 C ATOM 553 CG MET A 45 1.585 -2.522 -5.255 1.00 0.00 C ATOM 554 SD MET A 45 1.832 -3.119 -6.946 1.00 0.00 S ATOM 555 CE MET A 45 1.158 -1.674 -7.801 1.00 0.00 C ATOM 0 H MET A 45 3.908 -2.535 -3.710 1.00 0.00 H new ATOM 0 HA MET A 45 1.288 -2.309 -2.644 1.00 0.00 H new ATOM 0 HB2 MET A 45 2.766 -4.193 -4.557 1.00 0.00 H new ATOM 0 HB3 MET A 45 1.045 -4.376 -4.283 1.00 0.00 H new ATOM 0 HG2 MET A 45 0.564 -2.160 -5.132 1.00 0.00 H new ATOM 0 HG3 MET A 45 2.248 -1.680 -5.055 1.00 0.00 H new ATOM 0 HE1 MET A 45 1.213 -1.830 -8.878 1.00 0.00 H new ATOM 0 HE2 MET A 45 0.118 -1.530 -7.508 1.00 0.00 H new ATOM 0 HE3 MET A 45 1.736 -0.790 -7.533 1.00 0.00 H new ATOM 565 N ALA A 46 2.693 -5.160 -1.794 1.00 0.00 N ATOM 566 CA ALA A 46 2.556 -6.260 -0.793 1.00 0.00 C ATOM 567 C ALA A 46 3.338 -5.933 0.483 1.00 0.00 C ATOM 568 O ALA A 46 3.111 -6.514 1.526 1.00 0.00 O ATOM 569 CB ALA A 46 3.144 -7.491 -1.480 1.00 0.00 C ATOM 0 H ALA A 46 3.483 -5.250 -2.433 1.00 0.00 H new ATOM 0 HA ALA A 46 1.519 -6.411 -0.492 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.081 -8.347 -0.808 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.583 -7.702 -2.390 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.188 -7.303 -1.732 1.00 0.00 H new ATOM 575 N PHE A 47 4.261 -5.012 0.413 1.00 0.00 N ATOM 576 CA PHE A 47 5.051 -4.661 1.626 1.00 0.00 C ATOM 577 C PHE A 47 4.117 -4.287 2.780 1.00 0.00 C ATOM 578 O PHE A 47 4.312 -4.698 3.905 1.00 0.00 O ATOM 579 CB PHE A 47 5.908 -3.462 1.219 1.00 0.00 C ATOM 580 CG PHE A 47 6.782 -3.056 2.379 1.00 0.00 C ATOM 581 CD1 PHE A 47 7.588 -4.020 3.028 1.00 0.00 C ATOM 582 CD2 PHE A 47 6.798 -1.713 2.819 1.00 0.00 C ATOM 583 CE1 PHE A 47 8.408 -3.642 4.114 1.00 0.00 C ATOM 584 CE2 PHE A 47 7.617 -1.335 3.907 1.00 0.00 C ATOM 585 CZ PHE A 47 8.422 -2.300 4.554 1.00 0.00 C ATOM 0 H PHE A 47 4.501 -4.489 -0.429 1.00 0.00 H new ATOM 0 HA PHE A 47 5.662 -5.496 1.970 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.524 -3.717 0.357 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.271 -2.630 0.920 1.00 0.00 H new ATOM 0 HD1 PHE A 47 7.576 -5.047 2.693 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.184 -0.975 2.324 1.00 0.00 H new ATOM 0 HE1 PHE A 47 9.024 -4.379 4.608 1.00 0.00 H new ATOM 0 HE2 PHE A 47 7.628 -0.309 4.244 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.048 -2.011 5.385 1.00 0.00 H new ATOM 595 N LEU A 48 3.103 -3.508 2.508 1.00 0.00 N ATOM 596 CA LEU A 48 2.161 -3.111 3.594 1.00 0.00 C ATOM 597 C LEU A 48 1.637 -4.355 4.319 1.00 0.00 C ATOM 598 O LEU A 48 1.433 -4.350 5.517 1.00 0.00 O ATOM 599 CB LEU A 48 1.018 -2.382 2.885 1.00 0.00 C ATOM 600 CG LEU A 48 0.562 -1.197 3.740 1.00 0.00 C ATOM 601 CD1 LEU A 48 0.364 0.033 2.851 1.00 0.00 C ATOM 602 CD2 LEU A 48 -0.758 -1.546 4.429 1.00 0.00 C ATOM 0 H LEU A 48 2.888 -3.131 1.585 1.00 0.00 H new ATOM 0 HA LEU A 48 2.639 -2.482 4.345 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.347 -2.033 1.906 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.185 -3.065 2.717 1.00 0.00 H new ATOM 0 HG LEU A 48 1.320 -0.980 4.492 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.039 0.875 3.462 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.305 0.282 2.360 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.393 -0.181 2.097 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.084 -0.703 5.038 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.515 -1.764 3.676 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.617 -2.420 5.065 1.00 0.00 H new ATOM 614 N ARG A 49 1.431 -5.422 3.597 1.00 0.00 N ATOM 615 CA ARG A 49 0.927 -6.668 4.243 1.00 0.00 C ATOM 616 C ARG A 49 1.945 -7.165 5.270 1.00 0.00 C ATOM 617 O ARG A 49 1.675 -7.211 6.455 1.00 0.00 O ATOM 618 CB ARG A 49 0.784 -7.679 3.102 1.00 0.00 C ATOM 619 CG ARG A 49 -0.215 -7.151 2.069 1.00 0.00 C ATOM 620 CD ARG A 49 -0.110 -7.989 0.792 1.00 0.00 C ATOM 621 NE ARG A 49 -0.785 -7.179 -0.259 1.00 0.00 N ATOM 622 CZ ARG A 49 -0.660 -7.507 -1.516 1.00 0.00 C ATOM 623 NH1 ARG A 49 -0.528 -8.761 -1.851 1.00 0.00 N ATOM 624 NH2 ARG A 49 -0.666 -6.583 -2.437 1.00 0.00 N ATOM 0 H ARG A 49 1.589 -5.486 2.591 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.016 -6.513 4.768 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.752 -7.851 2.632 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.445 -8.638 3.493 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.228 -7.200 2.468 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.009 -6.104 1.849 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.931 -8.183 0.532 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.594 -8.958 0.915 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.345 -6.368 0.003 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.523 -9.483 -1.131 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.430 -9.019 -2.833 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.768 -5.603 -2.175 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.568 -6.841 -3.419 1.00 0.00 H new ATOM 638 N GLU A 50 3.114 -7.533 4.826 1.00 0.00 N ATOM 639 CA GLU A 50 4.154 -8.024 5.776 1.00 0.00 C ATOM 640 C GLU A 50 4.651 -6.873 6.657 1.00 0.00 C ATOM 641 O GLU A 50 5.234 -7.086 7.702 1.00 0.00 O ATOM 642 CB GLU A 50 5.283 -8.547 4.888 1.00 0.00 C ATOM 643 CG GLU A 50 5.114 -10.054 4.677 1.00 0.00 C ATOM 644 CD GLU A 50 5.865 -10.480 3.415 1.00 0.00 C ATOM 645 OE1 GLU A 50 7.078 -10.588 3.480 1.00 0.00 O ATOM 646 OE2 GLU A 50 5.215 -10.692 2.405 1.00 0.00 O ATOM 0 H GLU A 50 3.396 -7.515 3.846 1.00 0.00 H new ATOM 0 HA GLU A 50 3.772 -8.794 6.447 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.272 -8.032 3.928 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.248 -8.340 5.350 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.496 -10.598 5.541 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.057 -10.303 4.585 1.00 0.00 H new ATOM 653 N TYR A 51 4.429 -5.655 6.243 1.00 0.00 N ATOM 654 CA TYR A 51 4.892 -4.490 7.053 1.00 0.00 C ATOM 655 C TYR A 51 4.336 -4.576 8.480 1.00 0.00 C ATOM 656 O TYR A 51 5.074 -4.740 9.432 1.00 0.00 O ATOM 657 CB TYR A 51 4.338 -3.263 6.324 1.00 0.00 C ATOM 658 CG TYR A 51 4.584 -2.019 7.148 1.00 0.00 C ATOM 659 CD1 TYR A 51 5.780 -1.283 6.980 1.00 0.00 C ATOM 660 CD2 TYR A 51 3.618 -1.594 8.086 1.00 0.00 C ATOM 661 CE1 TYR A 51 6.007 -0.123 7.752 1.00 0.00 C ATOM 662 CE2 TYR A 51 3.846 -0.432 8.857 1.00 0.00 C ATOM 663 CZ TYR A 51 5.042 0.303 8.690 1.00 0.00 C ATOM 664 OH TYR A 51 5.265 1.436 9.446 1.00 0.00 O ATOM 0 H TYR A 51 3.946 -5.415 5.377 1.00 0.00 H new ATOM 0 HA TYR A 51 5.977 -4.453 7.146 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.814 -3.163 5.348 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.270 -3.387 6.146 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.519 -1.608 6.262 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.705 -2.157 8.214 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.920 0.439 7.625 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.107 -0.106 9.574 1.00 0.00 H new ATOM 0 HH TYR A 51 5.103 1.235 10.392 1.00 0.00 H new ATOM 674 N PHE A 52 3.046 -4.455 8.638 1.00 0.00 N ATOM 675 CA PHE A 52 2.458 -4.516 10.010 1.00 0.00 C ATOM 676 C PHE A 52 2.303 -5.972 10.473 1.00 0.00 C ATOM 677 O PHE A 52 2.002 -6.232 11.622 1.00 0.00 O ATOM 678 CB PHE A 52 1.090 -3.842 9.888 1.00 0.00 C ATOM 679 CG PHE A 52 0.884 -2.907 11.057 1.00 0.00 C ATOM 680 CD1 PHE A 52 0.415 -3.410 12.291 1.00 0.00 C ATOM 681 CD2 PHE A 52 1.161 -1.528 10.914 1.00 0.00 C ATOM 682 CE1 PHE A 52 0.221 -2.533 13.383 1.00 0.00 C ATOM 683 CE2 PHE A 52 0.968 -0.652 12.006 1.00 0.00 C ATOM 684 CZ PHE A 52 0.498 -1.155 13.240 1.00 0.00 C ATOM 0 H PHE A 52 2.375 -4.317 7.882 1.00 0.00 H new ATOM 0 HA PHE A 52 3.093 -4.023 10.746 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.027 -3.289 8.951 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.302 -4.595 9.867 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.205 -4.464 12.400 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.520 -1.144 9.970 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.139 -2.916 14.326 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.180 0.401 11.897 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.350 -0.486 14.075 1.00 0.00 H new ATOM 694 N GLU A 53 2.501 -6.923 9.598 1.00 0.00 N ATOM 695 CA GLU A 53 2.359 -8.350 10.008 1.00 0.00 C ATOM 696 C GLU A 53 3.545 -8.778 10.879 1.00 0.00 C ATOM 697 O GLU A 53 3.377 -9.372 11.926 1.00 0.00 O ATOM 698 CB GLU A 53 2.342 -9.144 8.703 1.00 0.00 C ATOM 699 CG GLU A 53 1.986 -10.603 8.996 1.00 0.00 C ATOM 700 CD GLU A 53 2.646 -11.509 7.956 1.00 0.00 C ATOM 701 OE1 GLU A 53 3.812 -11.822 8.125 1.00 0.00 O ATOM 702 OE2 GLU A 53 1.973 -11.876 7.007 1.00 0.00 O ATOM 0 H GLU A 53 2.754 -6.774 8.621 1.00 0.00 H new ATOM 0 HA GLU A 53 1.457 -8.516 10.597 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.617 -8.713 8.013 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.316 -9.087 8.218 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.321 -10.876 9.997 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.904 -10.736 8.975 1.00 0.00 H new ATOM 709 N LYS A 54 4.742 -8.485 10.451 1.00 0.00 N ATOM 710 CA LYS A 54 5.939 -8.880 11.253 1.00 0.00 C ATOM 711 C LYS A 54 6.280 -7.793 12.276 1.00 0.00 C ATOM 712 O LYS A 54 6.872 -8.057 13.302 1.00 0.00 O ATOM 713 CB LYS A 54 7.066 -9.028 10.230 1.00 0.00 C ATOM 714 CG LYS A 54 7.004 -10.419 9.596 1.00 0.00 C ATOM 715 CD LYS A 54 8.137 -10.568 8.577 1.00 0.00 C ATOM 716 CE LYS A 54 9.295 -11.343 9.210 1.00 0.00 C ATOM 717 NZ LYS A 54 10.516 -10.572 8.850 1.00 0.00 N ATOM 0 H LYS A 54 4.945 -7.990 9.583 1.00 0.00 H new ATOM 0 HA LYS A 54 5.773 -9.799 11.816 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.975 -8.262 9.460 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.032 -8.880 10.714 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.091 -11.185 10.366 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.040 -10.565 9.108 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.777 -11.091 7.691 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.478 -9.586 8.251 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.178 -11.415 10.291 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.344 -12.362 8.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.354 -11.042 9.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.605 -10.526 7.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.444 -9.608 9.234 1.00 0.00 H new ATOM 731 N LEU A 55 5.918 -6.569 12.000 1.00 0.00 N ATOM 732 CA LEU A 55 6.227 -5.464 12.955 1.00 0.00 C ATOM 733 C LEU A 55 5.761 -5.827 14.369 1.00 0.00 C ATOM 734 O LEU A 55 6.310 -5.364 15.348 1.00 0.00 O ATOM 735 CB LEU A 55 5.446 -4.260 12.429 1.00 0.00 C ATOM 736 CG LEU A 55 6.421 -3.182 11.947 1.00 0.00 C ATOM 737 CD1 LEU A 55 7.268 -2.696 13.126 1.00 0.00 C ATOM 738 CD2 LEU A 55 7.338 -3.766 10.866 1.00 0.00 C ATOM 0 H LEU A 55 5.422 -6.286 11.155 1.00 0.00 H new ATOM 0 HA LEU A 55 7.297 -5.266 13.019 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.794 -4.566 11.611 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.805 -3.859 13.214 1.00 0.00 H new ATOM 0 HG LEU A 55 5.859 -2.345 11.533 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.962 -1.929 12.783 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.617 -2.279 13.894 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.829 -3.534 13.541 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.032 -2.998 10.523 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.899 -4.604 11.279 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.736 -4.112 10.026 1.00 0.00 H new ATOM 750 N GLU A 56 4.756 -6.651 14.483 1.00 0.00 N ATOM 751 CA GLU A 56 4.261 -7.036 15.835 1.00 0.00 C ATOM 752 C GLU A 56 5.213 -8.048 16.482 1.00 0.00 C ATOM 753 O GLU A 56 5.228 -8.218 17.683 1.00 0.00 O ATOM 754 CB GLU A 56 2.892 -7.669 15.589 1.00 0.00 C ATOM 755 CG GLU A 56 2.203 -7.935 16.928 1.00 0.00 C ATOM 756 CD GLU A 56 2.184 -9.440 17.203 1.00 0.00 C ATOM 757 OE1 GLU A 56 1.337 -10.114 16.643 1.00 0.00 O ATOM 758 OE2 GLU A 56 3.018 -9.891 17.972 1.00 0.00 O ATOM 0 H GLU A 56 4.257 -7.074 13.700 1.00 0.00 H new ATOM 0 HA GLU A 56 4.201 -6.183 16.510 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.278 -7.007 14.978 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.005 -8.601 15.035 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.729 -7.415 17.729 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.185 -7.545 16.909 1.00 0.00 H new ATOM 765 N LYS A 57 6.009 -8.718 15.694 1.00 0.00 N ATOM 766 CA LYS A 57 6.957 -9.715 16.268 1.00 0.00 C ATOM 767 C LYS A 57 8.289 -9.043 16.616 1.00 0.00 C ATOM 768 O LYS A 57 8.915 -9.364 17.607 1.00 0.00 O ATOM 769 CB LYS A 57 7.154 -10.755 15.162 1.00 0.00 C ATOM 770 CG LYS A 57 7.676 -12.057 15.774 1.00 0.00 C ATOM 771 CD LYS A 57 8.333 -12.906 14.684 1.00 0.00 C ATOM 772 CE LYS A 57 9.343 -13.863 15.323 1.00 0.00 C ATOM 773 NZ LYS A 57 9.979 -14.573 14.177 1.00 0.00 N ATOM 0 H LYS A 57 6.044 -8.619 14.679 1.00 0.00 H new ATOM 0 HA LYS A 57 6.579 -10.162 17.187 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.211 -10.936 14.646 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.858 -10.382 14.418 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.396 -11.838 16.562 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.857 -12.609 16.235 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.575 -13.470 14.141 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.833 -12.263 13.959 1.00 0.00 H new ATOM 0 HE2 LYS A 57 10.083 -13.321 15.911 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.851 -14.564 15.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.685 -15.248 14.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.251 -15.086 13.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.445 -13.881 13.556 1.00 0.00 H new ATOM 787 N GLU A 58 8.725 -8.116 15.809 1.00 0.00 N ATOM 788 CA GLU A 58 10.017 -7.425 16.094 1.00 0.00 C ATOM 789 C GLU A 58 9.921 -6.625 17.398 1.00 0.00 C ATOM 790 O GLU A 58 10.917 -6.247 17.980 1.00 0.00 O ATOM 791 CB GLU A 58 10.239 -6.490 14.905 1.00 0.00 C ATOM 792 CG GLU A 58 11.724 -6.468 14.542 1.00 0.00 C ATOM 793 CD GLU A 58 12.080 -5.115 13.923 1.00 0.00 C ATOM 794 OE1 GLU A 58 11.801 -4.929 12.752 1.00 0.00 O ATOM 795 OE2 GLU A 58 12.630 -4.289 14.634 1.00 0.00 O ATOM 0 H GLU A 58 8.244 -7.806 14.965 1.00 0.00 H new ATOM 0 HA GLU A 58 10.840 -8.129 16.218 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.650 -6.825 14.051 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.899 -5.484 15.152 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.329 -6.643 15.432 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.949 -7.271 13.840 1.00 0.00 H new ATOM 922 N CYS B 16 10.906 13.326 4.977 1.00 0.00 N ATOM 923 CA CYS B 16 10.670 11.861 4.830 1.00 0.00 C ATOM 924 C CYS B 16 9.170 11.556 4.885 1.00 0.00 C ATOM 925 O CYS B 16 8.705 10.578 4.336 1.00 0.00 O ATOM 926 CB CYS B 16 11.391 11.220 6.017 1.00 0.00 C ATOM 927 SG CYS B 16 12.950 10.488 5.455 1.00 0.00 S ATOM 0 HA CYS B 16 11.036 11.480 3.877 1.00 0.00 H new ATOM 0 HB2 CYS B 16 11.585 11.968 6.785 1.00 0.00 H new ATOM 0 HB3 CYS B 16 10.760 10.455 6.469 1.00 0.00 H new ATOM 932 N GLU B 17 8.411 12.388 5.544 1.00 0.00 N ATOM 933 CA GLU B 17 6.942 12.147 5.634 1.00 0.00 C ATOM 934 C GLU B 17 6.240 12.672 4.379 1.00 0.00 C ATOM 935 O GLU B 17 5.264 12.112 3.921 1.00 0.00 O ATOM 936 CB GLU B 17 6.487 12.927 6.869 1.00 0.00 C ATOM 937 CG GLU B 17 5.076 12.487 7.262 1.00 0.00 C ATOM 938 CD GLU B 17 4.620 13.271 8.492 1.00 0.00 C ATOM 939 OE1 GLU B 17 4.941 14.446 8.575 1.00 0.00 O ATOM 940 OE2 GLU B 17 3.958 12.684 9.334 1.00 0.00 O ATOM 0 H GLU B 17 8.744 13.224 6.024 1.00 0.00 H new ATOM 0 HA GLU B 17 6.703 11.086 5.710 1.00 0.00 H new ATOM 0 HB2 GLU B 17 7.176 12.754 7.695 1.00 0.00 H new ATOM 0 HB3 GLU B 17 6.501 13.997 6.661 1.00 0.00 H new ATOM 0 HG2 GLU B 17 4.387 12.656 6.434 1.00 0.00 H new ATOM 0 HG3 GLU B 17 5.063 11.418 7.474 1.00 0.00 H new ATOM 947 N LEU B 18 6.728 13.746 3.820 1.00 0.00 N ATOM 948 CA LEU B 18 6.087 14.305 2.595 1.00 0.00 C ATOM 949 C LEU B 18 6.516 13.504 1.361 1.00 0.00 C ATOM 950 O LEU B 18 5.852 13.508 0.345 1.00 0.00 O ATOM 951 CB LEU B 18 6.595 15.744 2.504 1.00 0.00 C ATOM 952 CG LEU B 18 5.414 16.689 2.282 1.00 0.00 C ATOM 953 CD1 LEU B 18 4.688 16.308 0.991 1.00 0.00 C ATOM 954 CD2 LEU B 18 4.445 16.579 3.462 1.00 0.00 C ATOM 0 H LEU B 18 7.542 14.260 4.158 1.00 0.00 H new ATOM 0 HA LEU B 18 4.999 14.259 2.640 1.00 0.00 H new ATOM 0 HB2 LEU B 18 7.123 16.013 3.419 1.00 0.00 H new ATOM 0 HB3 LEU B 18 7.308 15.838 1.685 1.00 0.00 H new ATOM 0 HG LEU B 18 5.779 17.713 2.204 1.00 0.00 H new ATOM 0 HD11 LEU B 18 3.846 16.983 0.834 1.00 0.00 H new ATOM 0 HD12 LEU B 18 5.377 16.386 0.150 1.00 0.00 H new ATOM 0 HD13 LEU B 18 4.323 15.284 1.068 1.00 0.00 H new ATOM 0 HD21 LEU B 18 3.602 17.252 3.305 1.00 0.00 H new ATOM 0 HD22 LEU B 18 4.081 15.554 3.540 1.00 0.00 H new ATOM 0 HD23 LEU B 18 4.961 16.852 4.383 1.00 0.00 H new ATOM 966 N TYR B 19 7.622 12.818 1.444 1.00 0.00 N ATOM 967 CA TYR B 19 8.096 12.018 0.279 1.00 0.00 C ATOM 968 C TYR B 19 7.101 10.900 -0.042 1.00 0.00 C ATOM 969 O TYR B 19 6.670 10.741 -1.165 1.00 0.00 O ATOM 970 CB TYR B 19 9.437 11.432 0.722 1.00 0.00 C ATOM 971 CG TYR B 19 9.990 10.554 -0.373 1.00 0.00 C ATOM 972 CD1 TYR B 19 10.630 11.137 -1.490 1.00 0.00 C ATOM 973 CD2 TYR B 19 9.871 9.149 -0.281 1.00 0.00 C ATOM 974 CE1 TYR B 19 11.147 10.315 -2.516 1.00 0.00 C ATOM 975 CE2 TYR B 19 10.388 8.328 -1.305 1.00 0.00 C ATOM 976 CZ TYR B 19 11.027 8.911 -2.423 1.00 0.00 C ATOM 977 OH TYR B 19 11.532 8.108 -3.427 1.00 0.00 O ATOM 0 H TYR B 19 8.219 12.777 2.270 1.00 0.00 H new ATOM 0 HA TYR B 19 8.191 12.622 -0.623 1.00 0.00 H new ATOM 0 HB2 TYR B 19 10.139 12.234 0.949 1.00 0.00 H new ATOM 0 HB3 TYR B 19 9.308 10.853 1.637 1.00 0.00 H new ATOM 0 HD1 TYR B 19 10.724 12.211 -1.559 1.00 0.00 H new ATOM 0 HD2 TYR B 19 9.384 8.703 0.574 1.00 0.00 H new ATOM 0 HE1 TYR B 19 11.634 10.760 -3.371 1.00 0.00 H new ATOM 0 HE2 TYR B 19 10.296 7.254 -1.235 1.00 0.00 H new ATOM 0 HH TYR B 19 12.303 8.548 -3.841 1.00 0.00 H new ATOM 987 N VAL B 20 6.739 10.124 0.940 1.00 0.00 N ATOM 988 CA VAL B 20 5.775 9.011 0.696 1.00 0.00 C ATOM 989 C VAL B 20 4.363 9.565 0.478 1.00 0.00 C ATOM 990 O VAL B 20 3.612 9.072 -0.342 1.00 0.00 O ATOM 991 CB VAL B 20 5.826 8.148 1.959 1.00 0.00 C ATOM 992 CG1 VAL B 20 7.271 7.731 2.239 1.00 0.00 C ATOM 993 CG2 VAL B 20 5.287 8.941 3.156 1.00 0.00 C ATOM 0 H VAL B 20 7.068 10.211 1.902 1.00 0.00 H new ATOM 0 HA VAL B 20 6.030 8.439 -0.196 1.00 0.00 H new ATOM 0 HB VAL B 20 5.211 7.261 1.807 1.00 0.00 H new ATOM 0 HG11 VAL B 20 7.305 7.117 3.139 1.00 0.00 H new ATOM 0 HG12 VAL B 20 7.655 7.159 1.394 1.00 0.00 H new ATOM 0 HG13 VAL B 20 7.885 8.620 2.384 1.00 0.00 H new ATOM 0 HG21 VAL B 20 5.326 8.320 4.051 1.00 0.00 H new ATOM 0 HG22 VAL B 20 5.896 9.833 3.306 1.00 0.00 H new ATOM 0 HG23 VAL B 20 4.255 9.234 2.963 1.00 0.00 H new ATOM 1003 N GLN B 21 3.994 10.582 1.207 1.00 0.00 N ATOM 1004 CA GLN B 21 2.630 11.162 1.046 1.00 0.00 C ATOM 1005 C GLN B 21 2.388 11.563 -0.411 1.00 0.00 C ATOM 1006 O GLN B 21 1.263 11.706 -0.847 1.00 0.00 O ATOM 1007 CB GLN B 21 2.614 12.396 1.948 1.00 0.00 C ATOM 1008 CG GLN B 21 1.302 12.435 2.736 1.00 0.00 C ATOM 1009 CD GLN B 21 0.443 13.597 2.236 1.00 0.00 C ATOM 1010 OE1 GLN B 21 -0.728 13.426 1.954 1.00 0.00 O ATOM 1011 NE2 GLN B 21 0.976 14.782 2.113 1.00 0.00 N ATOM 0 H GLN B 21 4.579 11.037 1.908 1.00 0.00 H new ATOM 0 HA GLN B 21 1.849 10.450 1.312 1.00 0.00 H new ATOM 0 HB2 GLN B 21 3.461 12.370 2.633 1.00 0.00 H new ATOM 0 HB3 GLN B 21 2.717 13.300 1.348 1.00 0.00 H new ATOM 0 HG2 GLN B 21 0.765 11.494 2.616 1.00 0.00 H new ATOM 0 HG3 GLN B 21 1.507 12.552 3.800 1.00 0.00 H new ATOM 0 HE21 GLN B 21 1.958 14.927 2.349 1.00 0.00 H new ATOM 0 HE22 GLN B 21 0.411 15.563 1.781 1.00 0.00 H new ATOM 1020 N LYS B 22 3.434 11.750 -1.169 1.00 0.00 N ATOM 1021 CA LYS B 22 3.260 12.150 -2.595 1.00 0.00 C ATOM 1022 C LYS B 22 2.977 10.923 -3.467 1.00 0.00 C ATOM 1023 O LYS B 22 2.175 10.970 -4.377 1.00 0.00 O ATOM 1024 CB LYS B 22 4.585 12.798 -2.992 1.00 0.00 C ATOM 1025 CG LYS B 22 4.333 13.863 -4.064 1.00 0.00 C ATOM 1026 CD LYS B 22 5.492 14.862 -4.071 1.00 0.00 C ATOM 1027 CE LYS B 22 6.317 14.678 -5.348 1.00 0.00 C ATOM 1028 NZ LYS B 22 5.637 15.523 -6.369 1.00 0.00 N ATOM 0 H LYS B 22 4.401 11.643 -0.863 1.00 0.00 H new ATOM 0 HA LYS B 22 2.418 12.829 -2.729 1.00 0.00 H new ATOM 0 HB2 LYS B 22 5.057 13.250 -2.119 1.00 0.00 H new ATOM 0 HB3 LYS B 22 5.273 12.042 -3.370 1.00 0.00 H new ATOM 0 HG2 LYS B 22 4.237 13.394 -5.043 1.00 0.00 H new ATOM 0 HG3 LYS B 22 3.394 14.380 -3.865 1.00 0.00 H new ATOM 0 HD2 LYS B 22 5.108 15.881 -4.017 1.00 0.00 H new ATOM 0 HD3 LYS B 22 6.121 14.711 -3.194 1.00 0.00 H new ATOM 0 HE2 LYS B 22 7.350 14.992 -5.200 1.00 0.00 H new ATOM 0 HE3 LYS B 22 6.343 13.632 -5.654 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 6.144 15.450 -7.274 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 4.658 15.196 -6.494 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 5.634 16.514 -6.053 1.00 0.00 H new ATOM 1042 N HIS B 23 3.632 9.824 -3.202 1.00 0.00 N ATOM 1043 CA HIS B 23 3.394 8.605 -4.028 1.00 0.00 C ATOM 1044 C HIS B 23 4.062 7.382 -3.392 1.00 0.00 C ATOM 1045 O HIS B 23 5.166 7.014 -3.741 1.00 0.00 O ATOM 1046 CB HIS B 23 4.030 8.918 -5.384 1.00 0.00 C ATOM 1047 CG HIS B 23 3.367 8.095 -6.453 1.00 0.00 C ATOM 1048 ND1 HIS B 23 3.891 6.887 -6.888 1.00 0.00 N ATOM 1049 CD2 HIS B 23 2.223 8.292 -7.188 1.00 0.00 C ATOM 1050 CE1 HIS B 23 3.072 6.410 -7.842 1.00 0.00 C ATOM 1051 NE2 HIS B 23 2.039 7.226 -8.065 1.00 0.00 N ATOM 0 H HIS B 23 4.317 9.718 -2.454 1.00 0.00 H new ATOM 0 HA HIS B 23 2.333 8.371 -4.115 1.00 0.00 H new ATOM 0 HB2 HIS B 23 3.925 9.979 -5.610 1.00 0.00 H new ATOM 0 HB3 HIS B 23 5.098 8.702 -5.355 1.00 0.00 H new ATOM 0 HD2 HIS B 23 1.566 9.144 -7.099 1.00 0.00 H new ATOM 0 HE1 HIS B 23 3.231 5.479 -8.365 1.00 0.00 H new ATOM 0 HE2 HIS B 23 1.279 7.097 -8.733 1.00 0.00 H new ATOM 1059 N ASN B 24 3.397 6.744 -2.467 1.00 0.00 N ATOM 1060 CA ASN B 24 3.988 5.540 -1.813 1.00 0.00 C ATOM 1061 C ASN B 24 2.982 4.922 -0.836 1.00 0.00 C ATOM 1062 O ASN B 24 2.418 3.877 -1.092 1.00 0.00 O ATOM 1063 CB ASN B 24 5.231 6.047 -1.074 1.00 0.00 C ATOM 1064 CG ASN B 24 6.385 5.066 -1.286 1.00 0.00 C ATOM 1065 OD1 ASN B 24 7.431 5.437 -1.778 1.00 0.00 O ATOM 1066 ND2 ASN B 24 6.237 3.819 -0.931 1.00 0.00 N ATOM 0 H ASN B 24 2.468 7.005 -2.135 1.00 0.00 H new ATOM 0 HA ASN B 24 4.243 4.763 -2.534 1.00 0.00 H new ATOM 0 HB2 ASN B 24 5.508 7.035 -1.441 1.00 0.00 H new ATOM 0 HB3 ASN B 24 5.018 6.150 -0.010 1.00 0.00 H new ATOM 0 HD21 ASN B 24 7.000 3.156 -1.067 1.00 0.00 H new ATOM 0 HD22 ASN B 24 5.358 3.507 -0.518 1.00 0.00 H new ATOM 1073 N ILE B 25 2.748 5.559 0.279 1.00 0.00 N ATOM 1074 CA ILE B 25 1.776 5.003 1.264 1.00 0.00 C ATOM 1075 C ILE B 25 0.369 5.554 0.997 1.00 0.00 C ATOM 1076 O ILE B 25 -0.615 5.022 1.471 1.00 0.00 O ATOM 1077 CB ILE B 25 2.292 5.460 2.629 1.00 0.00 C ATOM 1078 CG1 ILE B 25 3.634 4.781 2.914 1.00 0.00 C ATOM 1079 CG2 ILE B 25 1.287 5.072 3.718 1.00 0.00 C ATOM 1080 CD1 ILE B 25 4.571 5.769 3.610 1.00 0.00 C ATOM 0 H ILE B 25 3.187 6.439 0.550 1.00 0.00 H new ATOM 0 HA ILE B 25 1.700 3.917 1.203 1.00 0.00 H new ATOM 0 HB ILE B 25 2.419 6.543 2.624 1.00 0.00 H new ATOM 0 HG12 ILE B 25 3.483 3.903 3.542 1.00 0.00 H new ATOM 0 HG13 ILE B 25 4.082 4.433 1.983 1.00 0.00 H new ATOM 0 HG21 ILE B 25 1.658 5.399 4.689 1.00 0.00 H new ATOM 0 HG22 ILE B 25 0.329 5.550 3.516 1.00 0.00 H new ATOM 0 HG23 ILE B 25 1.158 3.990 3.725 1.00 0.00 H new ATOM 0 HD11 ILE B 25 5.526 5.284 3.812 1.00 0.00 H new ATOM 0 HD12 ILE B 25 4.732 6.633 2.966 1.00 0.00 H new ATOM 0 HD13 ILE B 25 4.124 6.095 4.549 1.00 0.00 H new ATOM 1092 N GLN B 26 0.265 6.618 0.245 1.00 0.00 N ATOM 1093 CA GLN B 26 -1.080 7.198 -0.043 1.00 0.00 C ATOM 1094 C GLN B 26 -2.021 6.120 -0.590 1.00 0.00 C ATOM 1095 O GLN B 26 -3.224 6.198 -0.441 1.00 0.00 O ATOM 1096 CB GLN B 26 -0.834 8.277 -1.098 1.00 0.00 C ATOM 1097 CG GLN B 26 -2.154 8.977 -1.428 1.00 0.00 C ATOM 1098 CD GLN B 26 -1.878 10.230 -2.261 1.00 0.00 C ATOM 1099 OE1 GLN B 26 -0.981 10.243 -3.080 1.00 0.00 O ATOM 1100 NE2 GLN B 26 -2.617 11.291 -2.086 1.00 0.00 N ATOM 0 H GLN B 26 1.051 7.109 -0.181 1.00 0.00 H new ATOM 0 HA GLN B 26 -1.550 7.604 0.853 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -0.108 9.002 -0.730 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -0.411 7.831 -1.998 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -2.808 8.300 -1.977 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -2.674 9.247 -0.509 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -3.370 11.280 -1.398 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -2.441 12.131 -2.637 1.00 0.00 H new ATOM 1109 N ALA B 27 -1.482 5.111 -1.222 1.00 0.00 N ATOM 1110 CA ALA B 27 -2.350 4.031 -1.778 1.00 0.00 C ATOM 1111 C ALA B 27 -3.291 3.495 -0.693 1.00 0.00 C ATOM 1112 O ALA B 27 -4.447 3.215 -0.944 1.00 0.00 O ATOM 1113 CB ALA B 27 -1.381 2.940 -2.235 1.00 0.00 C ATOM 0 H ALA B 27 -0.481 4.988 -1.377 1.00 0.00 H new ATOM 0 HA ALA B 27 -2.978 4.386 -2.595 1.00 0.00 H new ATOM 0 HB1 ALA B 27 -1.944 2.107 -2.658 1.00 0.00 H new ATOM 0 HB2 ALA B 27 -0.708 3.344 -2.991 1.00 0.00 H new ATOM 0 HB3 ALA B 27 -0.800 2.589 -1.382 1.00 0.00 H new ATOM 1119 N LEU B 28 -2.803 3.353 0.508 1.00 0.00 N ATOM 1120 CA LEU B 28 -3.669 2.839 1.609 1.00 0.00 C ATOM 1121 C LEU B 28 -4.675 3.913 2.041 1.00 0.00 C ATOM 1122 O LEU B 28 -5.848 3.649 2.204 1.00 0.00 O ATOM 1123 CB LEU B 28 -2.698 2.518 2.750 1.00 0.00 C ATOM 1124 CG LEU B 28 -3.482 2.165 4.018 1.00 0.00 C ATOM 1125 CD1 LEU B 28 -2.783 1.019 4.750 1.00 0.00 C ATOM 1126 CD2 LEU B 28 -3.547 3.390 4.931 1.00 0.00 C ATOM 0 H LEU B 28 -1.843 3.570 0.776 1.00 0.00 H new ATOM 0 HA LEU B 28 -4.251 1.968 1.308 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -2.053 1.686 2.467 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -2.050 3.374 2.939 1.00 0.00 H new ATOM 0 HG LEU B 28 -4.492 1.858 3.747 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -3.342 0.769 5.652 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -2.736 0.146 4.099 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -1.772 1.324 5.022 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -4.104 3.142 5.834 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -2.536 3.697 5.201 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -4.047 4.206 4.409 1.00 0.00 H new ATOM 1138 N LEU B 29 -4.218 5.122 2.234 1.00 0.00 N ATOM 1139 CA LEU B 29 -5.139 6.216 2.665 1.00 0.00 C ATOM 1140 C LEU B 29 -6.395 6.251 1.788 1.00 0.00 C ATOM 1141 O LEU B 29 -7.455 6.655 2.224 1.00 0.00 O ATOM 1142 CB LEU B 29 -4.332 7.503 2.493 1.00 0.00 C ATOM 1143 CG LEU B 29 -3.608 7.831 3.801 1.00 0.00 C ATOM 1144 CD1 LEU B 29 -2.565 6.751 4.092 1.00 0.00 C ATOM 1145 CD2 LEU B 29 -2.915 9.188 3.672 1.00 0.00 C ATOM 0 H LEU B 29 -3.244 5.400 2.112 1.00 0.00 H new ATOM 0 HA LEU B 29 -5.481 6.077 3.690 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -3.610 7.387 1.685 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -4.992 8.324 2.215 1.00 0.00 H new ATOM 0 HG LEU B 29 -4.330 7.867 4.617 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -2.049 6.985 5.023 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -3.059 5.784 4.183 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -1.842 6.714 3.277 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -2.399 9.423 4.603 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -2.193 9.152 2.856 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -3.658 9.958 3.465 1.00 0.00 H new ATOM 1157 N LYS B 30 -6.286 5.837 0.557 1.00 0.00 N ATOM 1158 CA LYS B 30 -7.479 5.855 -0.341 1.00 0.00 C ATOM 1159 C LYS B 30 -8.628 5.059 0.286 1.00 0.00 C ATOM 1160 O LYS B 30 -9.531 5.617 0.875 1.00 0.00 O ATOM 1161 CB LYS B 30 -7.012 5.195 -1.639 1.00 0.00 C ATOM 1162 CG LYS B 30 -6.819 6.270 -2.712 1.00 0.00 C ATOM 1163 CD LYS B 30 -6.947 5.638 -4.099 1.00 0.00 C ATOM 1164 CE LYS B 30 -7.164 6.738 -5.141 1.00 0.00 C ATOM 1165 NZ LYS B 30 -8.495 6.444 -5.740 1.00 0.00 N ATOM 0 H LYS B 30 -5.427 5.488 0.133 1.00 0.00 H new ATOM 0 HA LYS B 30 -7.851 6.866 -0.511 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -6.077 4.659 -1.472 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -7.746 4.461 -1.971 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -7.562 7.058 -2.590 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -5.840 6.736 -2.602 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -6.048 5.070 -4.336 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -7.781 4.937 -4.116 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -7.148 7.726 -4.681 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -6.379 6.726 -5.897 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -8.715 7.157 -6.465 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -8.479 5.500 -6.176 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -9.223 6.470 -4.998 1.00 0.00 H new ATOM 1179 N ASP B 31 -8.602 3.761 0.159 1.00 0.00 N ATOM 1180 CA ASP B 31 -9.696 2.933 0.745 1.00 0.00 C ATOM 1181 C ASP B 31 -9.670 3.018 2.275 1.00 0.00 C ATOM 1182 O ASP B 31 -10.688 2.900 2.929 1.00 0.00 O ATOM 1183 CB ASP B 31 -9.401 1.505 0.283 1.00 0.00 C ATOM 1184 CG ASP B 31 -10.687 0.679 0.329 1.00 0.00 C ATOM 1185 OD1 ASP B 31 -11.619 1.034 -0.373 1.00 0.00 O ATOM 1186 OD2 ASP B 31 -10.717 -0.296 1.061 1.00 0.00 O ATOM 0 H ASP B 31 -7.872 3.238 -0.324 1.00 0.00 H new ATOM 0 HA ASP B 31 -10.682 3.271 0.428 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -8.998 1.515 -0.730 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -8.643 1.054 0.923 1.00 0.00 H new ATOM 1191 N SER B 32 -8.517 3.218 2.847 1.00 0.00 N ATOM 1192 CA SER B 32 -8.430 3.305 4.336 1.00 0.00 C ATOM 1193 C SER B 32 -9.385 4.381 4.862 1.00 0.00 C ATOM 1194 O SER B 32 -10.290 4.102 5.620 1.00 0.00 O ATOM 1195 CB SER B 32 -6.979 3.688 4.624 1.00 0.00 C ATOM 1196 OG SER B 32 -6.813 3.879 6.023 1.00 0.00 O ATOM 0 H SER B 32 -7.631 3.325 2.352 1.00 0.00 H new ATOM 0 HA SER B 32 -8.710 2.370 4.822 1.00 0.00 H new ATOM 0 HB2 SER B 32 -6.307 2.906 4.270 1.00 0.00 H new ATOM 0 HB3 SER B 32 -6.718 4.600 4.087 1.00 0.00 H new ATOM 0 HG SER B 32 -5.934 4.275 6.197 1.00 0.00 H new ATOM 1202 N ILE B 33 -9.189 5.608 4.464 1.00 0.00 N ATOM 1203 CA ILE B 33 -10.086 6.699 4.943 1.00 0.00 C ATOM 1204 C ILE B 33 -11.547 6.354 4.641 1.00 0.00 C ATOM 1205 O ILE B 33 -12.421 6.541 5.462 1.00 0.00 O ATOM 1206 CB ILE B 33 -9.651 7.941 4.159 1.00 0.00 C ATOM 1207 CG1 ILE B 33 -8.227 8.326 4.569 1.00 0.00 C ATOM 1208 CG2 ILE B 33 -10.597 9.104 4.471 1.00 0.00 C ATOM 1209 CD1 ILE B 33 -7.629 9.257 3.513 1.00 0.00 C ATOM 0 H ILE B 33 -8.448 5.903 3.829 1.00 0.00 H new ATOM 0 HA ILE B 33 -10.014 6.852 6.020 1.00 0.00 H new ATOM 0 HB ILE B 33 -9.682 7.724 3.091 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -8.237 8.819 5.541 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -7.612 7.432 4.672 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -10.285 9.986 3.912 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -11.613 8.833 4.185 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -10.567 9.321 5.539 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -6.615 9.532 3.803 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -7.605 8.747 2.550 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -8.240 10.156 3.432 1.00 0.00 H new ATOM 1221 N VAL B 34 -11.818 5.848 3.469 1.00 0.00 N ATOM 1222 CA VAL B 34 -13.223 5.490 3.120 1.00 0.00 C ATOM 1223 C VAL B 34 -13.741 4.401 4.065 1.00 0.00 C ATOM 1224 O VAL B 34 -14.931 4.211 4.216 1.00 0.00 O ATOM 1225 CB VAL B 34 -13.155 4.969 1.683 1.00 0.00 C ATOM 1226 CG1 VAL B 34 -14.532 4.455 1.257 1.00 0.00 C ATOM 1227 CG2 VAL B 34 -12.728 6.109 0.752 1.00 0.00 C ATOM 0 H VAL B 34 -11.129 5.667 2.739 1.00 0.00 H new ATOM 0 HA VAL B 34 -13.901 6.338 3.212 1.00 0.00 H new ATOM 0 HB VAL B 34 -12.432 4.156 1.625 1.00 0.00 H new ATOM 0 HG11 VAL B 34 -14.481 4.084 0.233 1.00 0.00 H new ATOM 0 HG12 VAL B 34 -14.840 3.647 1.921 1.00 0.00 H new ATOM 0 HG13 VAL B 34 -15.257 5.267 1.313 1.00 0.00 H new ATOM 0 HG21 VAL B 34 -12.678 5.742 -0.273 1.00 0.00 H new ATOM 0 HG22 VAL B 34 -13.454 6.920 0.813 1.00 0.00 H new ATOM 0 HG23 VAL B 34 -11.747 6.477 1.054 1.00 0.00 H new ATOM 1237 N GLN B 35 -12.854 3.684 4.703 1.00 0.00 N ATOM 1238 CA GLN B 35 -13.297 2.610 5.638 1.00 0.00 C ATOM 1239 C GLN B 35 -13.201 3.097 7.087 1.00 0.00 C ATOM 1240 O GLN B 35 -14.039 2.790 7.913 1.00 0.00 O ATOM 1241 CB GLN B 35 -12.327 1.453 5.397 1.00 0.00 C ATOM 1242 CG GLN B 35 -12.827 0.604 4.228 1.00 0.00 C ATOM 1243 CD GLN B 35 -12.787 -0.877 4.617 1.00 0.00 C ATOM 1244 OE1 GLN B 35 -13.569 -1.323 5.434 1.00 0.00 O ATOM 1245 NE2 GLN B 35 -11.902 -1.659 4.066 1.00 0.00 N ATOM 0 H GLN B 35 -11.844 3.796 4.617 1.00 0.00 H new ATOM 0 HA GLN B 35 -14.333 2.317 5.470 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -11.331 1.839 5.180 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -12.244 0.841 6.295 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -13.844 0.894 3.963 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -12.207 0.777 3.348 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -11.246 -1.284 3.381 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -11.865 -2.646 4.320 1.00 0.00 H new ATOM 1254 N LEU B 36 -12.185 3.851 7.402 1.00 0.00 N ATOM 1255 CA LEU B 36 -12.035 4.355 8.798 1.00 0.00 C ATOM 1256 C LEU B 36 -13.078 5.440 9.093 1.00 0.00 C ATOM 1257 O LEU B 36 -13.270 5.828 10.230 1.00 0.00 O ATOM 1258 CB LEU B 36 -10.624 4.938 8.863 1.00 0.00 C ATOM 1259 CG LEU B 36 -9.621 3.814 9.126 1.00 0.00 C ATOM 1260 CD1 LEU B 36 -8.477 3.898 8.114 1.00 0.00 C ATOM 1261 CD2 LEU B 36 -9.058 3.954 10.544 1.00 0.00 C ATOM 0 H LEU B 36 -11.452 4.141 6.755 1.00 0.00 H new ATOM 0 HA LEU B 36 -12.185 3.566 9.535 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -10.384 5.443 7.927 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -10.564 5.686 9.653 1.00 0.00 H new ATOM 0 HG LEU B 36 -10.123 2.852 9.026 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -7.764 3.096 8.304 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -8.876 3.798 7.105 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -7.975 4.861 8.211 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -8.343 3.153 10.732 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -8.558 4.918 10.644 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -9.872 3.891 11.266 1.00 0.00 H new ATOM 1273 N CYS B 37 -13.757 5.933 8.089 1.00 0.00 N ATOM 1274 CA CYS B 37 -14.787 6.988 8.329 1.00 0.00 C ATOM 1275 C CYS B 37 -15.723 6.560 9.463 1.00 0.00 C ATOM 1276 O CYS B 37 -16.000 7.316 10.373 1.00 0.00 O ATOM 1277 CB CYS B 37 -15.556 7.100 7.011 1.00 0.00 C ATOM 1278 SG CYS B 37 -14.713 8.270 5.917 1.00 0.00 S ATOM 0 H CYS B 37 -13.643 5.651 7.115 1.00 0.00 H new ATOM 0 HA CYS B 37 -14.344 7.940 8.623 1.00 0.00 H new ATOM 0 HB2 CYS B 37 -15.623 6.123 6.533 1.00 0.00 H new ATOM 0 HB3 CYS B 37 -16.576 7.433 7.200 1.00 0.00 H new ATOM 1283 N THR B 38 -16.197 5.346 9.420 1.00 0.00 N ATOM 1284 CA THR B 38 -17.098 4.862 10.501 1.00 0.00 C ATOM 1285 C THR B 38 -16.300 4.692 11.800 1.00 0.00 C ATOM 1286 O THR B 38 -16.850 4.673 12.883 1.00 0.00 O ATOM 1287 CB THR B 38 -17.619 3.511 10.005 1.00 0.00 C ATOM 1288 OG1 THR B 38 -18.419 3.713 8.846 1.00 0.00 O ATOM 1289 CG2 THR B 38 -18.458 2.849 11.097 1.00 0.00 C ATOM 0 H THR B 38 -15.999 4.669 8.683 1.00 0.00 H new ATOM 0 HA THR B 38 -17.912 5.555 10.712 1.00 0.00 H new ATOM 0 HB THR B 38 -16.776 2.865 9.760 1.00 0.00 H new ATOM 0 HG1 THR B 38 -18.753 2.850 8.525 1.00 0.00 H new ATOM 0 HG21 THR B 38 -18.827 1.888 10.740 1.00 0.00 H new ATOM 0 HG22 THR B 38 -17.844 2.695 11.984 1.00 0.00 H new ATOM 0 HG23 THR B 38 -19.302 3.491 11.347 1.00 0.00 H new ATOM 1297 N ALA B 39 -15.001 4.572 11.695 1.00 0.00 N ATOM 1298 CA ALA B 39 -14.151 4.409 12.911 1.00 0.00 C ATOM 1299 C ALA B 39 -14.581 3.176 13.709 1.00 0.00 C ATOM 1300 O ALA B 39 -15.163 2.251 13.178 1.00 0.00 O ATOM 1301 CB ALA B 39 -14.365 5.683 13.731 1.00 0.00 C ATOM 0 H ALA B 39 -14.490 4.580 10.812 1.00 0.00 H new ATOM 0 HA ALA B 39 -13.102 4.265 12.654 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -13.769 5.633 14.642 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -14.059 6.549 13.144 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -15.419 5.775 13.991 1.00 0.00 H new ATOM 1307 N ARG B 40 -14.288 3.157 14.980 1.00 0.00 N ATOM 1308 CA ARG B 40 -14.666 1.985 15.822 1.00 0.00 C ATOM 1309 C ARG B 40 -14.130 0.681 15.206 1.00 0.00 C ATOM 1310 O ARG B 40 -14.863 -0.277 15.070 1.00 0.00 O ATOM 1311 CB ARG B 40 -16.194 1.981 15.836 1.00 0.00 C ATOM 1312 CG ARG B 40 -16.692 2.163 17.271 1.00 0.00 C ATOM 1313 CD ARG B 40 -17.884 3.121 17.282 1.00 0.00 C ATOM 1314 NE ARG B 40 -18.272 3.236 18.714 1.00 0.00 N ATOM 1315 CZ ARG B 40 -19.060 4.203 19.102 1.00 0.00 C ATOM 1316 NH1 ARG B 40 -20.038 4.594 18.334 1.00 0.00 N ATOM 1317 NH2 ARG B 40 -18.868 4.777 20.259 1.00 0.00 N ATOM 0 H ARG B 40 -13.801 3.905 15.474 1.00 0.00 H new ATOM 0 HA ARG B 40 -14.248 2.053 16.826 1.00 0.00 H new ATOM 0 HB2 ARG B 40 -16.576 2.782 15.203 1.00 0.00 H new ATOM 0 HB3 ARG B 40 -16.570 1.044 15.426 1.00 0.00 H new ATOM 0 HG2 ARG B 40 -16.982 1.200 17.691 1.00 0.00 H new ATOM 0 HG3 ARG B 40 -15.891 2.555 17.898 1.00 0.00 H new ATOM 0 HD2 ARG B 40 -17.614 4.092 16.867 1.00 0.00 H new ATOM 0 HD3 ARG B 40 -18.706 2.735 16.680 1.00 0.00 H new ATOM 0 HE ARG B 40 -17.923 2.560 19.393 1.00 0.00 H new ATOM 0 HH11 ARG B 40 -20.188 4.145 17.431 1.00 0.00 H new ATOM 0 HH12 ARG B 40 -20.654 5.349 18.637 1.00 0.00 H new ATOM 0 HH21 ARG B 40 -18.103 4.470 20.860 1.00 0.00 H new ATOM 0 HH22 ARG B 40 -19.483 5.532 20.562 1.00 0.00 H new ATOM 1331 N PRO B 41 -12.864 0.681 14.859 1.00 0.00 N ATOM 1332 CA PRO B 41 -12.252 -0.531 14.264 1.00 0.00 C ATOM 1333 C PRO B 41 -11.999 -1.582 15.348 1.00 0.00 C ATOM 1334 O PRO B 41 -11.346 -1.321 16.337 1.00 0.00 O ATOM 1335 CB PRO B 41 -10.934 -0.024 13.689 1.00 0.00 C ATOM 1336 CG PRO B 41 -10.598 1.193 14.492 1.00 0.00 C ATOM 1337 CD PRO B 41 -11.897 1.782 14.981 1.00 0.00 C ATOM 0 HA PRO B 41 -12.884 -1.006 13.514 1.00 0.00 H new ATOM 0 HB2 PRO B 41 -10.152 -0.779 13.772 1.00 0.00 H new ATOM 0 HB3 PRO B 41 -11.033 0.217 12.631 1.00 0.00 H new ATOM 0 HG2 PRO B 41 -9.954 0.933 15.332 1.00 0.00 H new ATOM 0 HG3 PRO B 41 -10.053 1.916 13.884 1.00 0.00 H new ATOM 0 HD2 PRO B 41 -11.814 2.126 16.012 1.00 0.00 H new ATOM 0 HD3 PRO B 41 -12.195 2.642 14.381 1.00 0.00 H new ATOM 1345 N GLU B 42 -12.513 -2.770 15.171 1.00 0.00 N ATOM 1346 CA GLU B 42 -12.299 -3.838 16.193 1.00 0.00 C ATOM 1347 C GLU B 42 -10.814 -3.935 16.562 1.00 0.00 C ATOM 1348 O GLU B 42 -10.411 -3.582 17.653 1.00 0.00 O ATOM 1349 CB GLU B 42 -12.773 -5.126 15.523 1.00 0.00 C ATOM 1350 CG GLU B 42 -14.244 -4.986 15.129 1.00 0.00 C ATOM 1351 CD GLU B 42 -15.065 -6.075 15.821 1.00 0.00 C ATOM 1352 OE1 GLU B 42 -15.034 -7.200 15.354 1.00 0.00 O ATOM 1353 OE2 GLU B 42 -15.710 -5.766 16.809 1.00 0.00 O ATOM 0 H GLU B 42 -13.071 -3.048 14.364 1.00 0.00 H new ATOM 0 HA GLU B 42 -12.839 -3.637 17.118 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -12.168 -5.333 14.641 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -12.646 -5.969 16.202 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -14.615 -4.001 15.413 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -14.351 -5.068 14.047 1.00 0.00 H new ATOM 1360 N ARG B 43 -9.999 -4.406 15.660 1.00 0.00 N ATOM 1361 CA ARG B 43 -8.542 -4.520 15.954 1.00 0.00 C ATOM 1362 C ARG B 43 -7.726 -3.923 14.799 1.00 0.00 C ATOM 1363 O ARG B 43 -7.424 -4.607 13.841 1.00 0.00 O ATOM 1364 CB ARG B 43 -8.276 -6.020 16.081 1.00 0.00 C ATOM 1365 CG ARG B 43 -8.513 -6.460 17.528 1.00 0.00 C ATOM 1366 CD ARG B 43 -7.168 -6.705 18.215 1.00 0.00 C ATOM 1367 NE ARG B 43 -7.500 -7.468 19.448 1.00 0.00 N ATOM 1368 CZ ARG B 43 -6.781 -7.312 20.526 1.00 0.00 C ATOM 1369 NH1 ARG B 43 -5.494 -7.527 20.487 1.00 0.00 N ATOM 1370 NH2 ARG B 43 -7.346 -6.943 21.642 1.00 0.00 N ATOM 0 H ARG B 43 -10.279 -4.718 14.730 1.00 0.00 H new ATOM 0 HA ARG B 43 -8.258 -3.982 16.858 1.00 0.00 H new ATOM 0 HB2 ARG B 43 -8.931 -6.574 15.409 1.00 0.00 H new ATOM 0 HB3 ARG B 43 -7.251 -6.245 15.785 1.00 0.00 H new ATOM 0 HG2 ARG B 43 -9.073 -5.694 18.065 1.00 0.00 H new ATOM 0 HG3 ARG B 43 -9.115 -7.369 17.549 1.00 0.00 H new ATOM 0 HD2 ARG B 43 -6.493 -7.269 17.571 1.00 0.00 H new ATOM 0 HD3 ARG B 43 -6.670 -5.765 18.454 1.00 0.00 H new ATOM 0 HE ARG B 43 -8.290 -8.113 19.451 1.00 0.00 H new ATOM 0 HH11 ARG B 43 -5.052 -7.817 19.615 1.00 0.00 H new ATOM 0 HH12 ARG B 43 -4.931 -7.405 21.329 1.00 0.00 H new ATOM 0 HH21 ARG B 43 -8.352 -6.776 21.674 1.00 0.00 H new ATOM 0 HH22 ARG B 43 -6.782 -6.822 22.483 1.00 0.00 H new ATOM 1384 N PRO B 44 -7.404 -2.657 14.924 1.00 0.00 N ATOM 1385 CA PRO B 44 -6.625 -1.964 13.865 1.00 0.00 C ATOM 1386 C PRO B 44 -5.171 -2.447 13.849 1.00 0.00 C ATOM 1387 O PRO B 44 -4.523 -2.454 12.821 1.00 0.00 O ATOM 1388 CB PRO B 44 -6.702 -0.492 14.269 1.00 0.00 C ATOM 1389 CG PRO B 44 -6.945 -0.510 15.743 1.00 0.00 C ATOM 1390 CD PRO B 44 -7.727 -1.762 16.044 1.00 0.00 C ATOM 0 HA PRO B 44 -7.013 -2.152 12.864 1.00 0.00 H new ATOM 0 HB2 PRO B 44 -5.778 0.033 14.027 1.00 0.00 H new ATOM 0 HB3 PRO B 44 -7.507 0.021 13.742 1.00 0.00 H new ATOM 0 HG2 PRO B 44 -6.002 -0.503 16.290 1.00 0.00 H new ATOM 0 HG3 PRO B 44 -7.500 0.375 16.053 1.00 0.00 H new ATOM 0 HD2 PRO B 44 -7.434 -2.196 17.000 1.00 0.00 H new ATOM 0 HD3 PRO B 44 -8.797 -1.561 16.100 1.00 0.00 H new ATOM 1398 N MET B 45 -4.651 -2.848 14.977 1.00 0.00 N ATOM 1399 CA MET B 45 -3.238 -3.326 15.016 1.00 0.00 C ATOM 1400 C MET B 45 -3.002 -4.391 13.942 1.00 0.00 C ATOM 1401 O MET B 45 -2.082 -4.297 13.154 1.00 0.00 O ATOM 1402 CB MET B 45 -3.060 -3.922 16.415 1.00 0.00 C ATOM 1403 CG MET B 45 -2.827 -2.797 17.427 1.00 0.00 C ATOM 1404 SD MET B 45 -3.058 -3.438 19.103 1.00 0.00 S ATOM 1405 CE MET B 45 -2.442 -1.988 19.991 1.00 0.00 C ATOM 0 H MET B 45 -5.141 -2.866 15.871 1.00 0.00 H new ATOM 0 HA MET B 45 -2.527 -2.523 14.821 1.00 0.00 H new ATOM 0 HB2 MET B 45 -3.944 -4.496 16.692 1.00 0.00 H new ATOM 0 HB3 MET B 45 -2.216 -4.612 16.423 1.00 0.00 H new ATOM 0 HG2 MET B 45 -1.820 -2.395 17.315 1.00 0.00 H new ATOM 0 HG3 MET B 45 -3.520 -1.976 17.241 1.00 0.00 H new ATOM 0 HE1 MET B 45 -2.495 -2.169 21.065 1.00 0.00 H new ATOM 0 HE2 MET B 45 -1.407 -1.799 19.706 1.00 0.00 H new ATOM 0 HE3 MET B 45 -3.052 -1.121 19.739 1.00 0.00 H new ATOM 1415 N ALA B 46 -3.823 -5.405 13.906 1.00 0.00 N ATOM 1416 CA ALA B 46 -3.640 -6.477 12.885 1.00 0.00 C ATOM 1417 C ALA B 46 -4.429 -6.153 11.612 1.00 0.00 C ATOM 1418 O ALA B 46 -4.174 -6.702 10.557 1.00 0.00 O ATOM 1419 CB ALA B 46 -4.185 -7.744 13.543 1.00 0.00 C ATOM 0 H ALA B 46 -4.612 -5.538 14.539 1.00 0.00 H new ATOM 0 HA ALA B 46 -2.597 -6.583 12.587 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -4.087 -8.583 12.854 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -3.621 -7.953 14.452 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -5.236 -7.601 13.793 1.00 0.00 H new ATOM 1425 N PHE B 47 -5.386 -5.270 11.696 1.00 0.00 N ATOM 1426 CA PHE B 47 -6.186 -4.925 10.487 1.00 0.00 C ATOM 1427 C PHE B 47 -5.261 -4.492 9.347 1.00 0.00 C ATOM 1428 O PHE B 47 -5.434 -4.887 8.212 1.00 0.00 O ATOM 1429 CB PHE B 47 -7.086 -3.767 10.914 1.00 0.00 C ATOM 1430 CG PHE B 47 -7.971 -3.369 9.756 1.00 0.00 C ATOM 1431 CD1 PHE B 47 -8.738 -4.348 9.084 1.00 0.00 C ATOM 1432 CD2 PHE B 47 -8.034 -2.018 9.344 1.00 0.00 C ATOM 1433 CE1 PHE B 47 -9.566 -3.977 8.001 1.00 0.00 C ATOM 1434 CE2 PHE B 47 -8.862 -1.647 8.260 1.00 0.00 C ATOM 1435 CZ PHE B 47 -9.626 -2.627 7.589 1.00 0.00 C ATOM 0 H PHE B 47 -5.648 -4.773 12.548 1.00 0.00 H new ATOM 0 HA PHE B 47 -6.765 -5.774 10.124 1.00 0.00 H new ATOM 0 HB2 PHE B 47 -7.696 -4.061 11.768 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -6.480 -2.919 11.232 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -8.691 -5.380 9.399 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -7.449 -1.269 9.858 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -10.153 -4.725 7.488 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -8.910 -0.615 7.945 1.00 0.00 H new ATOM 0 HZ PHE B 47 -10.257 -2.344 6.760 1.00 0.00 H new ATOM 1445 N LEU B 48 -4.279 -3.684 9.639 1.00 0.00 N ATOM 1446 CA LEU B 48 -3.346 -3.230 8.567 1.00 0.00 C ATOM 1447 C LEU B 48 -2.773 -4.438 7.821 1.00 0.00 C ATOM 1448 O LEU B 48 -2.566 -4.402 6.622 1.00 0.00 O ATOM 1449 CB LEU B 48 -2.237 -2.475 9.298 1.00 0.00 C ATOM 1450 CG LEU B 48 -1.817 -1.262 8.467 1.00 0.00 C ATOM 1451 CD1 LEU B 48 -1.664 -0.041 9.380 1.00 0.00 C ATOM 1452 CD2 LEU B 48 -0.482 -1.555 7.780 1.00 0.00 C ATOM 0 H LEU B 48 -4.082 -3.319 10.571 1.00 0.00 H new ATOM 0 HA LEU B 48 -3.842 -2.604 7.825 1.00 0.00 H new ATOM 0 HB2 LEU B 48 -2.586 -2.154 10.280 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -1.382 -3.131 9.462 1.00 0.00 H new ATOM 0 HG LEU B 48 -2.578 -1.057 7.714 1.00 0.00 H new ATOM 0 HD11 LEU B 48 -1.365 0.822 8.786 1.00 0.00 H new ATOM 0 HD12 LEU B 48 -2.615 0.168 9.870 1.00 0.00 H new ATOM 0 HD13 LEU B 48 -0.904 -0.244 10.134 1.00 0.00 H new ATOM 0 HD21 LEU B 48 -0.181 -0.691 7.187 1.00 0.00 H new ATOM 0 HD22 LEU B 48 0.278 -1.760 8.534 1.00 0.00 H new ATOM 0 HD23 LEU B 48 -0.591 -2.422 7.129 1.00 0.00 H new ATOM 1464 N ARG B 49 -2.522 -5.511 8.519 1.00 0.00 N ATOM 1465 CA ARG B 49 -1.969 -6.722 7.850 1.00 0.00 C ATOM 1466 C ARG B 49 -2.965 -7.237 6.808 1.00 0.00 C ATOM 1467 O ARG B 49 -2.690 -7.247 5.624 1.00 0.00 O ATOM 1468 CB ARG B 49 -1.791 -7.750 8.968 1.00 0.00 C ATOM 1469 CG ARG B 49 -0.813 -7.212 10.016 1.00 0.00 C ATOM 1470 CD ARG B 49 -0.895 -8.077 11.276 1.00 0.00 C ATOM 1471 NE ARG B 49 -0.265 -7.257 12.347 1.00 0.00 N ATOM 1472 CZ ARG B 49 -0.385 -7.618 13.597 1.00 0.00 C ATOM 1473 NH1 ARG B 49 -0.471 -8.882 13.903 1.00 0.00 N ATOM 1474 NH2 ARG B 49 -0.416 -6.713 14.536 1.00 0.00 N ATOM 0 H ARG B 49 -2.676 -5.602 9.523 1.00 0.00 H new ATOM 0 HA ARG B 49 -1.031 -6.519 7.333 1.00 0.00 H new ATOM 0 HB2 ARG B 49 -2.753 -7.966 9.432 1.00 0.00 H new ATOM 0 HB3 ARG B 49 -1.418 -8.688 8.556 1.00 0.00 H new ATOM 0 HG2 ARG B 49 0.203 -7.221 9.621 1.00 0.00 H new ATOM 0 HG3 ARG B 49 -1.053 -6.176 10.256 1.00 0.00 H new ATOM 0 HD2 ARG B 49 -1.929 -8.320 11.521 1.00 0.00 H new ATOM 0 HD3 ARG B 49 -0.369 -9.022 11.141 1.00 0.00 H new ATOM 0 HE ARG B 49 0.259 -6.416 12.106 1.00 0.00 H new ATOM 0 HH11 ARG B 49 -0.445 -9.588 13.167 1.00 0.00 H new ATOM 0 HH12 ARG B 49 -0.565 -9.165 14.878 1.00 0.00 H new ATOM 0 HH21 ARG B 49 -0.347 -5.725 14.294 1.00 0.00 H new ATOM 0 HH22 ARG B 49 -0.510 -6.994 15.512 1.00 0.00 H new ATOM 1488 N GLU B 50 -4.122 -7.655 7.240 1.00 0.00 N ATOM 1489 CA GLU B 50 -5.138 -8.164 6.274 1.00 0.00 C ATOM 1490 C GLU B 50 -5.675 -7.015 5.413 1.00 0.00 C ATOM 1491 O GLU B 50 -6.241 -7.227 4.359 1.00 0.00 O ATOM 1492 CB GLU B 50 -6.254 -8.746 7.144 1.00 0.00 C ATOM 1493 CG GLU B 50 -6.030 -10.248 7.324 1.00 0.00 C ATOM 1494 CD GLU B 50 -6.767 -10.728 8.575 1.00 0.00 C ATOM 1495 OE1 GLU B 50 -7.976 -10.881 8.504 1.00 0.00 O ATOM 1496 OE2 GLU B 50 -6.113 -10.934 9.584 1.00 0.00 O ATOM 0 H GLU B 50 -4.409 -7.667 8.219 1.00 0.00 H new ATOM 0 HA GLU B 50 -4.722 -8.905 5.591 1.00 0.00 H new ATOM 0 HB2 GLU B 50 -6.268 -8.251 8.115 1.00 0.00 H new ATOM 0 HB3 GLU B 50 -7.223 -8.565 6.680 1.00 0.00 H new ATOM 0 HG2 GLU B 50 -6.390 -10.788 6.448 1.00 0.00 H new ATOM 0 HG3 GLU B 50 -4.964 -10.459 7.413 1.00 0.00 H new ATOM 1503 N TYR B 51 -5.505 -5.798 5.857 1.00 0.00 N ATOM 1504 CA TYR B 51 -6.007 -4.636 5.069 1.00 0.00 C ATOM 1505 C TYR B 51 -5.445 -4.671 3.641 1.00 0.00 C ATOM 1506 O TYR B 51 -6.173 -4.847 2.684 1.00 0.00 O ATOM 1507 CB TYR B 51 -5.500 -3.401 5.822 1.00 0.00 C ATOM 1508 CG TYR B 51 -5.789 -2.150 5.022 1.00 0.00 C ATOM 1509 CD1 TYR B 51 -7.010 -1.464 5.202 1.00 0.00 C ATOM 1510 CD2 TYR B 51 -4.836 -1.670 4.096 1.00 0.00 C ATOM 1511 CE1 TYR B 51 -7.279 -0.296 4.451 1.00 0.00 C ATOM 1512 CE2 TYR B 51 -5.106 -0.503 3.348 1.00 0.00 C ATOM 1513 CZ TYR B 51 -6.326 0.185 3.527 1.00 0.00 C ATOM 1514 OH TYR B 51 -6.588 1.326 2.795 1.00 0.00 O ATOM 0 H TYR B 51 -5.040 -5.559 6.733 1.00 0.00 H new ATOM 0 HA TYR B 51 -7.093 -4.640 4.975 1.00 0.00 H new ATOM 0 HB2 TYR B 51 -5.981 -3.337 6.798 1.00 0.00 H new ATOM 0 HB3 TYR B 51 -4.428 -3.489 6.000 1.00 0.00 H new ATOM 0 HD1 TYR B 51 -7.737 -1.830 5.912 1.00 0.00 H new ATOM 0 HD2 TYR B 51 -3.902 -2.195 3.960 1.00 0.00 H new ATOM 0 HE1 TYR B 51 -8.214 0.228 4.584 1.00 0.00 H new ATOM 0 HE2 TYR B 51 -4.379 -0.136 2.639 1.00 0.00 H new ATOM 0 HH TYR B 51 -6.415 1.153 1.846 1.00 0.00 H new ATOM 1524 N PHE B 52 -4.161 -4.498 3.489 1.00 0.00 N ATOM 1525 CA PHE B 52 -3.566 -4.513 2.119 1.00 0.00 C ATOM 1526 C PHE B 52 -3.356 -5.952 1.629 1.00 0.00 C ATOM 1527 O PHE B 52 -3.039 -6.179 0.477 1.00 0.00 O ATOM 1528 CB PHE B 52 -2.224 -3.793 2.260 1.00 0.00 C ATOM 1529 CG PHE B 52 -2.048 -2.824 1.114 1.00 0.00 C ATOM 1530 CD1 PHE B 52 -1.555 -3.279 -0.129 1.00 0.00 C ATOM 1531 CD2 PHE B 52 -2.375 -1.461 1.286 1.00 0.00 C ATOM 1532 CE1 PHE B 52 -1.389 -2.370 -1.199 1.00 0.00 C ATOM 1533 CE2 PHE B 52 -2.209 -0.552 0.217 1.00 0.00 C ATOM 1534 CZ PHE B 52 -1.716 -1.006 -1.025 1.00 0.00 C ATOM 0 H PHE B 52 -3.499 -4.347 4.250 1.00 0.00 H new ATOM 0 HA PHE B 52 -4.217 -4.030 1.390 1.00 0.00 H new ATOM 0 HB2 PHE B 52 -2.183 -3.260 3.210 1.00 0.00 H new ATOM 0 HB3 PHE B 52 -1.410 -4.517 2.266 1.00 0.00 H new ATOM 0 HD1 PHE B 52 -1.305 -4.321 -0.262 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -2.753 -1.113 2.236 1.00 0.00 H new ATOM 0 HE1 PHE B 52 -1.012 -2.718 -2.149 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -2.459 0.490 0.350 1.00 0.00 H new ATOM 0 HZ PHE B 52 -1.589 -0.311 -1.842 1.00 0.00 H new ATOM 1544 N GLU B 53 -3.526 -6.926 2.483 1.00 0.00 N ATOM 1545 CA GLU B 53 -3.330 -8.337 2.043 1.00 0.00 C ATOM 1546 C GLU B 53 -4.496 -8.791 1.160 1.00 0.00 C ATOM 1547 O GLU B 53 -4.302 -9.363 0.106 1.00 0.00 O ATOM 1548 CB GLU B 53 -3.287 -9.157 3.333 1.00 0.00 C ATOM 1549 CG GLU B 53 -2.873 -10.594 3.012 1.00 0.00 C ATOM 1550 CD GLU B 53 -3.500 -11.546 4.029 1.00 0.00 C ATOM 1551 OE1 GLU B 53 -4.654 -11.901 3.849 1.00 0.00 O ATOM 1552 OE2 GLU B 53 -2.817 -11.908 4.974 1.00 0.00 O ATOM 0 H GLU B 53 -3.791 -6.806 3.461 1.00 0.00 H new ATOM 0 HA GLU B 53 -2.422 -8.456 1.452 1.00 0.00 H new ATOM 0 HB2 GLU B 53 -2.582 -8.713 4.035 1.00 0.00 H new ATOM 0 HB3 GLU B 53 -4.265 -9.148 3.815 1.00 0.00 H new ATOM 0 HG2 GLU B 53 -3.193 -10.859 2.004 1.00 0.00 H new ATOM 0 HG3 GLU B 53 -1.787 -10.684 3.035 1.00 0.00 H new ATOM 1559 N LYS B 54 -5.706 -8.547 1.585 1.00 0.00 N ATOM 1560 CA LYS B 54 -6.881 -8.970 0.770 1.00 0.00 C ATOM 1561 C LYS B 54 -7.258 -7.874 -0.233 1.00 0.00 C ATOM 1562 O LYS B 54 -7.831 -8.140 -1.269 1.00 0.00 O ATOM 1563 CB LYS B 54 -8.007 -9.182 1.781 1.00 0.00 C ATOM 1564 CG LYS B 54 -7.890 -10.581 2.389 1.00 0.00 C ATOM 1565 CD LYS B 54 -9.019 -10.794 3.398 1.00 0.00 C ATOM 1566 CE LYS B 54 -10.145 -11.598 2.744 1.00 0.00 C ATOM 1567 NZ LYS B 54 -11.395 -10.882 3.115 1.00 0.00 N ATOM 0 H LYS B 54 -5.932 -8.074 2.460 1.00 0.00 H new ATOM 0 HA LYS B 54 -6.677 -9.870 0.190 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -7.953 -8.427 2.566 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -8.975 -9.066 1.293 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -7.942 -11.336 1.604 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -6.923 -10.697 2.879 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -8.643 -11.322 4.274 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -9.398 -9.832 3.744 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -10.022 -11.642 1.662 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -10.157 -12.626 3.105 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -12.213 -11.375 2.702 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -11.489 -10.862 4.151 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -11.358 -9.908 2.752 1.00 0.00 H new ATOM 1581 N LEU B 55 -6.942 -6.645 0.071 1.00 0.00 N ATOM 1582 CA LEU B 55 -7.285 -5.532 -0.863 1.00 0.00 C ATOM 1583 C LEU B 55 -6.799 -5.850 -2.281 1.00 0.00 C ATOM 1584 O LEU B 55 -7.362 -5.392 -3.255 1.00 0.00 O ATOM 1585 CB LEU B 55 -6.551 -4.311 -0.306 1.00 0.00 C ATOM 1586 CG LEU B 55 -7.566 -3.281 0.192 1.00 0.00 C ATOM 1587 CD1 LEU B 55 -8.426 -2.801 -0.980 1.00 0.00 C ATOM 1588 CD2 LEU B 55 -8.463 -3.916 1.258 1.00 0.00 C ATOM 0 H LEU B 55 -6.461 -6.362 0.925 1.00 0.00 H new ATOM 0 HA LEU B 55 -8.361 -5.370 -0.930 1.00 0.00 H new ATOM 0 HB2 LEU B 55 -5.893 -4.611 0.510 1.00 0.00 H new ATOM 0 HB3 LEU B 55 -5.921 -3.870 -1.078 1.00 0.00 H new ATOM 0 HG LEU B 55 -7.036 -2.433 0.625 1.00 0.00 H new ATOM 0 HD11 LEU B 55 -9.149 -2.067 -0.624 1.00 0.00 H new ATOM 0 HD12 LEU B 55 -7.788 -2.344 -1.737 1.00 0.00 H new ATOM 0 HD13 LEU B 55 -8.954 -3.649 -1.415 1.00 0.00 H new ATOM 0 HD21 LEU B 55 -9.185 -3.180 1.611 1.00 0.00 H new ATOM 0 HD22 LEU B 55 -8.992 -4.767 0.829 1.00 0.00 H new ATOM 0 HD23 LEU B 55 -7.851 -4.254 2.094 1.00 0.00 H new ATOM 1600 N GLU B 56 -5.762 -6.629 -2.405 1.00 0.00 N ATOM 1601 CA GLU B 56 -5.246 -6.970 -3.764 1.00 0.00 C ATOM 1602 C GLU B 56 -6.157 -8.002 -4.437 1.00 0.00 C ATOM 1603 O GLU B 56 -6.158 -8.149 -5.642 1.00 0.00 O ATOM 1604 CB GLU B 56 -3.855 -7.562 -3.525 1.00 0.00 C ATOM 1605 CG GLU B 56 -3.154 -7.770 -4.868 1.00 0.00 C ATOM 1606 CD GLU B 56 -3.074 -9.265 -5.179 1.00 0.00 C ATOM 1607 OE1 GLU B 56 -2.201 -9.918 -4.630 1.00 0.00 O ATOM 1608 OE2 GLU B 56 -3.888 -9.734 -5.958 1.00 0.00 O ATOM 0 H GLU B 56 -5.249 -7.045 -1.628 1.00 0.00 H new ATOM 0 HA GLU B 56 -5.213 -6.100 -4.420 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -3.267 -6.895 -2.895 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -3.938 -8.511 -2.995 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -3.699 -7.253 -5.658 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -2.153 -7.341 -4.837 1.00 0.00 H new ATOM 1615 N LYS B 57 -6.933 -8.716 -3.668 1.00 0.00 N ATOM 1616 CA LYS B 57 -7.839 -9.737 -4.268 1.00 0.00 C ATOM 1617 C LYS B 57 -9.195 -9.108 -4.606 1.00 0.00 C ATOM 1618 O LYS B 57 -9.807 -9.431 -5.604 1.00 0.00 O ATOM 1619 CB LYS B 57 -7.999 -10.807 -3.187 1.00 0.00 C ATOM 1620 CG LYS B 57 -8.469 -12.114 -3.827 1.00 0.00 C ATOM 1621 CD LYS B 57 -9.101 -13.008 -2.758 1.00 0.00 C ATOM 1622 CE LYS B 57 -10.070 -13.989 -3.418 1.00 0.00 C ATOM 1623 NZ LYS B 57 -10.685 -14.744 -2.291 1.00 0.00 N ATOM 0 H LYS B 57 -6.979 -8.637 -2.652 1.00 0.00 H new ATOM 0 HA LYS B 57 -7.441 -10.150 -5.195 1.00 0.00 H new ATOM 0 HB2 LYS B 57 -7.051 -10.963 -2.672 1.00 0.00 H new ATOM 0 HB3 LYS B 57 -8.719 -10.477 -2.438 1.00 0.00 H new ATOM 0 HG2 LYS B 57 -9.192 -11.906 -4.616 1.00 0.00 H new ATOM 0 HG3 LYS B 57 -7.627 -12.626 -4.293 1.00 0.00 H new ATOM 0 HD2 LYS B 57 -8.325 -13.553 -2.220 1.00 0.00 H new ATOM 0 HD3 LYS B 57 -9.628 -12.398 -2.025 1.00 0.00 H new ATOM 0 HE2 LYS B 57 -10.827 -13.464 -4.000 1.00 0.00 H new ATOM 0 HE3 LYS B 57 -9.549 -14.658 -4.103 1.00 0.00 H new ATOM 0 HZ1 LYS B 57 -11.363 -15.438 -2.667 1.00 0.00 H new ATOM 0 HZ2 LYS B 57 -9.942 -15.240 -1.759 1.00 0.00 H new ATOM 0 HZ3 LYS B 57 -11.181 -14.083 -1.660 1.00 0.00 H new ATOM 1637 N GLU B 58 -9.668 -8.214 -3.782 1.00 0.00 N ATOM 1638 CA GLU B 58 -10.984 -7.567 -4.059 1.00 0.00 C ATOM 1639 C GLU B 58 -10.910 -6.736 -5.345 1.00 0.00 C ATOM 1640 O GLU B 58 -11.920 -6.384 -5.924 1.00 0.00 O ATOM 1641 CB GLU B 58 -11.243 -6.664 -2.851 1.00 0.00 C ATOM 1642 CG GLU B 58 -12.732 -6.705 -2.497 1.00 0.00 C ATOM 1643 CD GLU B 58 -13.139 -5.379 -1.852 1.00 0.00 C ATOM 1644 OE1 GLU B 58 -12.872 -5.211 -0.673 1.00 0.00 O ATOM 1645 OE2 GLU B 58 -13.713 -4.555 -2.547 1.00 0.00 O ATOM 0 H GLU B 58 -9.202 -7.903 -2.930 1.00 0.00 H new ATOM 0 HA GLU B 58 -11.780 -8.298 -4.201 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -10.646 -6.995 -2.001 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -10.939 -5.642 -3.075 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -13.325 -6.883 -3.394 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -12.932 -7.531 -1.814 1.00 0.00 H new