USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=12 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 Set 1.1: B 19 TYR OH : rot 180:sc= -0.759 USER MOD Set 1.2: B 24 ASN : amide:sc= -4.39! C(o=-5.2!,f=-6.2!) USER MOD Set 2.1: A 19 TYR OH : rot 180:sc= -0.344 USER MOD Set 2.2: A 24 ASN : amide:sc= -3.99! C(o=-4.3!,f=-6!) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS :FLIP no HD1:sc= -2.28! C(o=-2.9!,f=-2.3!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= -0.0172 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 165:sc= -3.22! USER MOD Single : A 54 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.071) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 HIS :FLIP no HD1:sc= -2.24! C(o=-3.1!,f=-2.2!) USER MOD Single : B 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot 180:sc= -0.014 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 164:sc= -3.19! USER MOD Single : B 54 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.0911) USER MOD Single : B 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 72 N CYS A 16 -18.477 9.671 12.022 1.00 0.00 N ATOM 73 CA CYS A 16 -17.241 8.957 11.589 1.00 0.00 C ATOM 74 C CYS A 16 -15.998 9.682 12.115 1.00 0.00 C ATOM 75 O CYS A 16 -14.931 9.109 12.220 1.00 0.00 O ATOM 76 CB CYS A 16 -17.279 8.998 10.060 1.00 0.00 C ATOM 77 SG CYS A 16 -16.585 7.463 9.399 1.00 0.00 S ATOM 0 HA CYS A 16 -17.197 7.937 11.970 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -18.305 9.125 9.714 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -16.711 9.854 9.694 1.00 0.00 H new ATOM 82 N GLU A 17 -16.127 10.939 12.445 1.00 0.00 N ATOM 83 CA GLU A 17 -14.955 11.701 12.964 1.00 0.00 C ATOM 84 C GLU A 17 -14.479 11.119 14.301 1.00 0.00 C ATOM 85 O GLU A 17 -13.395 11.413 14.764 1.00 0.00 O ATOM 86 CB GLU A 17 -15.469 13.129 13.155 1.00 0.00 C ATOM 87 CG GLU A 17 -15.129 13.964 11.918 1.00 0.00 C ATOM 88 CD GLU A 17 -13.667 14.407 11.988 1.00 0.00 C ATOM 89 OE1 GLU A 17 -12.818 13.648 11.550 1.00 0.00 O ATOM 90 OE2 GLU A 17 -13.420 15.495 12.481 1.00 0.00 O ATOM 0 H GLU A 17 -16.994 11.471 12.377 1.00 0.00 H new ATOM 0 HA GLU A 17 -14.104 11.656 12.284 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -16.547 13.120 13.316 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -15.018 13.574 14.042 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -15.300 13.380 11.014 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -15.782 14.835 11.863 1.00 0.00 H new ATOM 97 N LEU A 18 -15.279 10.299 14.929 1.00 0.00 N ATOM 98 CA LEU A 18 -14.867 9.709 16.236 1.00 0.00 C ATOM 99 C LEU A 18 -13.534 8.967 16.090 1.00 0.00 C ATOM 100 O LEU A 18 -12.499 9.442 16.515 1.00 0.00 O ATOM 101 CB LEU A 18 -15.986 8.732 16.599 1.00 0.00 C ATOM 102 CG LEU A 18 -17.234 9.516 17.007 1.00 0.00 C ATOM 103 CD1 LEU A 18 -18.421 8.557 17.150 1.00 0.00 C ATOM 104 CD2 LEU A 18 -16.984 10.215 18.345 1.00 0.00 C ATOM 0 H LEU A 18 -16.199 10.012 14.594 1.00 0.00 H new ATOM 0 HA LEU A 18 -14.723 10.470 17.003 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -16.210 8.087 15.749 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -15.667 8.084 17.416 1.00 0.00 H new ATOM 0 HG LEU A 18 -17.458 10.260 16.242 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -19.309 9.118 17.441 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -18.603 8.058 16.198 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -18.197 7.812 17.913 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -17.874 10.774 18.635 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -16.758 9.470 19.108 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -16.142 10.900 18.246 1.00 0.00 H new ATOM 116 N TYR A 19 -13.552 7.806 15.499 1.00 0.00 N ATOM 117 CA TYR A 19 -12.288 7.030 15.330 1.00 0.00 C ATOM 118 C TYR A 19 -11.225 7.884 14.633 1.00 0.00 C ATOM 119 O TYR A 19 -10.141 8.079 15.143 1.00 0.00 O ATOM 120 CB TYR A 19 -12.675 5.835 14.457 1.00 0.00 C ATOM 121 CG TYR A 19 -11.545 4.836 14.441 1.00 0.00 C ATOM 122 CD1 TYR A 19 -11.263 4.069 15.595 1.00 0.00 C ATOM 123 CD2 TYR A 19 -10.769 4.668 13.273 1.00 0.00 C ATOM 124 CE1 TYR A 19 -10.205 3.133 15.580 1.00 0.00 C ATOM 125 CE2 TYR A 19 -9.710 3.732 13.258 1.00 0.00 C ATOM 126 CZ TYR A 19 -9.428 2.966 14.411 1.00 0.00 C ATOM 127 OH TYR A 19 -8.392 2.052 14.395 1.00 0.00 O ATOM 0 H TYR A 19 -14.388 7.358 15.124 1.00 0.00 H new ATOM 0 HA TYR A 19 -11.864 6.720 16.285 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -13.582 5.368 14.842 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -12.894 6.168 13.443 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -11.857 4.199 16.488 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -10.985 5.254 12.392 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -9.990 2.546 16.461 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -9.116 3.602 12.365 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.961 2.062 13.515 1.00 0.00 H new ATOM 137 N VAL A 20 -11.534 8.395 13.475 1.00 0.00 N ATOM 138 CA VAL A 20 -10.554 9.244 12.735 1.00 0.00 C ATOM 139 C VAL A 20 -10.305 10.544 13.494 1.00 0.00 C ATOM 140 O VAL A 20 -10.728 11.602 13.079 1.00 0.00 O ATOM 141 CB VAL A 20 -11.215 9.531 11.387 1.00 0.00 C ATOM 142 CG1 VAL A 20 -10.328 10.477 10.573 1.00 0.00 C ATOM 143 CG2 VAL A 20 -11.396 8.221 10.621 1.00 0.00 C ATOM 0 H VAL A 20 -12.429 8.261 13.004 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.588 8.752 12.619 1.00 0.00 H new ATOM 0 HB VAL A 20 -12.187 9.996 11.551 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.800 10.681 9.612 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.196 11.411 11.118 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.356 10.013 10.408 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -11.867 8.424 9.659 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -10.423 7.758 10.458 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -12.027 7.546 11.199 1.00 0.00 H new ATOM 153 N GLN A 21 -9.612 10.467 14.599 1.00 0.00 N ATOM 154 CA GLN A 21 -9.313 11.700 15.378 1.00 0.00 C ATOM 155 C GLN A 21 -8.433 12.608 14.517 1.00 0.00 C ATOM 156 O GLN A 21 -8.766 12.885 13.382 1.00 0.00 O ATOM 157 CB GLN A 21 -8.574 11.206 16.626 1.00 0.00 C ATOM 158 CG GLN A 21 -9.486 10.272 17.421 1.00 0.00 C ATOM 159 CD GLN A 21 -9.851 10.927 18.754 1.00 0.00 C ATOM 160 OE1 GLN A 21 -10.603 11.882 18.788 1.00 0.00 O ATOM 161 NE2 GLN A 21 -9.350 10.451 19.860 1.00 0.00 N ATOM 0 H GLN A 21 -9.241 9.603 14.994 1.00 0.00 H new ATOM 0 HA GLN A 21 -10.196 12.274 15.658 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -7.662 10.683 16.339 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -8.275 12.053 17.244 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -10.389 10.056 16.850 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -8.985 9.320 17.597 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -8.719 9.650 19.831 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -9.589 10.880 20.754 1.00 0.00 H new ATOM 170 N LYS A 22 -7.296 13.050 14.996 1.00 0.00 N ATOM 171 CA LYS A 22 -6.430 13.890 14.119 1.00 0.00 C ATOM 172 C LYS A 22 -6.183 13.112 12.821 1.00 0.00 C ATOM 173 O LYS A 22 -6.008 13.673 11.758 1.00 0.00 O ATOM 174 CB LYS A 22 -5.128 14.083 14.897 1.00 0.00 C ATOM 175 CG LYS A 22 -4.673 15.540 14.777 1.00 0.00 C ATOM 176 CD LYS A 22 -4.556 16.156 16.173 1.00 0.00 C ATOM 177 CE LYS A 22 -4.007 17.580 16.058 1.00 0.00 C ATOM 178 NZ LYS A 22 -5.204 18.435 15.814 1.00 0.00 N ATOM 0 H LYS A 22 -6.938 12.870 15.934 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.871 14.854 13.864 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -5.276 13.822 15.945 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -4.358 13.417 14.508 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.713 15.591 14.264 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.385 16.106 14.177 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.531 16.169 16.659 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.898 15.550 16.795 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.488 17.878 16.969 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.290 17.662 15.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.909 19.428 15.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.674 18.132 14.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.866 18.342 16.611 1.00 0.00 H new ATOM 192 N HIS A 23 -6.203 11.804 12.923 1.00 0.00 N ATOM 193 CA HIS A 23 -6.006 10.939 11.724 1.00 0.00 C ATOM 194 C HIS A 23 -6.235 9.458 12.071 1.00 0.00 C ATOM 195 O HIS A 23 -6.634 8.673 11.235 1.00 0.00 O ATOM 196 CB HIS A 23 -4.556 11.146 11.317 1.00 0.00 C ATOM 197 CG HIS A 23 -4.486 12.137 10.189 1.00 0.00 C ATOM 198 ND1 HIS A 23 -5.430 12.581 9.297 1.00 0.00 N flip ATOM 199 CD2 HIS A 23 -3.318 12.811 9.870 1.00 0.00 C flip ATOM 200 CE1 HIS A 23 -4.861 13.515 8.437 1.00 0.00 C flip ATOM 201 NE2 HIS A 23 -3.588 13.616 8.826 1.00 0.00 N flip ATOM 0 H HIS A 23 -6.349 11.297 13.796 1.00 0.00 H new ATOM 0 HA HIS A 23 -6.707 11.196 10.930 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -3.977 11.506 12.167 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -4.115 10.198 11.009 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -2.365 12.709 10.368 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -5.345 14.044 7.629 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -2.903 14.229 8.385 1.00 0.00 H new ATOM 209 N ASN A 24 -5.953 9.071 13.295 1.00 0.00 N ATOM 210 CA ASN A 24 -6.107 7.636 13.713 1.00 0.00 C ATOM 211 C ASN A 24 -5.077 6.761 12.991 1.00 0.00 C ATOM 212 O ASN A 24 -4.242 6.132 13.610 1.00 0.00 O ATOM 213 CB ASN A 24 -7.527 7.209 13.340 1.00 0.00 C ATOM 214 CG ASN A 24 -7.876 5.937 14.109 1.00 0.00 C ATOM 215 OD1 ASN A 24 -7.372 4.873 13.806 1.00 0.00 O ATOM 216 ND2 ASN A 24 -8.717 6.001 15.104 1.00 0.00 N ATOM 0 H ASN A 24 -5.619 9.694 14.030 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.941 7.523 14.784 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.235 8.002 13.581 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -7.599 7.033 12.267 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -8.952 5.158 15.628 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -9.140 6.894 15.358 1.00 0.00 H new ATOM 223 N ILE A 25 -5.131 6.721 11.690 1.00 0.00 N ATOM 224 CA ILE A 25 -4.156 5.891 10.921 1.00 0.00 C ATOM 225 C ILE A 25 -2.718 6.323 11.232 1.00 0.00 C ATOM 226 O ILE A 25 -1.775 5.602 10.969 1.00 0.00 O ATOM 227 CB ILE A 25 -4.484 6.163 9.452 1.00 0.00 C ATOM 228 CG1 ILE A 25 -5.964 5.867 9.193 1.00 0.00 C ATOM 229 CG2 ILE A 25 -3.624 5.266 8.561 1.00 0.00 C ATOM 230 CD1 ILE A 25 -6.700 7.175 8.900 1.00 0.00 C ATOM 0 H ILE A 25 -5.810 7.228 11.122 1.00 0.00 H new ATOM 0 HA ILE A 25 -4.230 4.833 11.174 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.277 7.209 9.224 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.067 5.182 8.351 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.405 5.375 10.060 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.858 5.461 7.514 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.570 5.477 8.742 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.830 4.220 8.791 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -7.754 6.966 8.715 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -6.607 7.844 9.755 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.264 7.648 8.020 1.00 0.00 H new ATOM 242 N GLN A 26 -2.540 7.499 11.778 1.00 0.00 N ATOM 243 CA GLN A 26 -1.162 7.986 12.097 1.00 0.00 C ATOM 244 C GLN A 26 -0.344 6.901 12.809 1.00 0.00 C ATOM 245 O GLN A 26 0.863 6.840 12.679 1.00 0.00 O ATOM 246 CB GLN A 26 -1.374 9.186 13.019 1.00 0.00 C ATOM 247 CG GLN A 26 -1.169 10.479 12.227 1.00 0.00 C ATOM 248 CD GLN A 26 -0.776 11.608 13.183 1.00 0.00 C ATOM 249 OE1 GLN A 26 0.282 12.191 13.048 1.00 0.00 O ATOM 250 NE2 GLN A 26 -1.588 11.942 14.148 1.00 0.00 N ATOM 0 H GLN A 26 -3.292 8.146 12.018 1.00 0.00 H new ATOM 0 HA GLN A 26 -0.607 8.247 11.196 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.379 9.161 13.441 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -0.676 9.144 13.855 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.392 10.338 11.475 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.084 10.741 11.695 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -2.476 11.452 14.260 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.335 12.693 14.790 1.00 0.00 H new ATOM 259 N ALA A 27 -0.987 6.050 13.557 1.00 0.00 N ATOM 260 CA ALA A 27 -0.236 4.978 14.272 1.00 0.00 C ATOM 261 C ALA A 27 0.621 4.182 13.281 1.00 0.00 C ATOM 262 O ALA A 27 1.818 4.362 13.200 1.00 0.00 O ATOM 263 CB ALA A 27 -1.311 4.083 14.889 1.00 0.00 C ATOM 0 H ALA A 27 -1.996 6.049 13.705 1.00 0.00 H new ATOM 0 HA ALA A 27 0.440 5.381 15.026 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.836 3.267 15.434 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.923 4.669 15.574 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.941 3.673 14.099 1.00 0.00 H new ATOM 269 N LEU A 28 0.013 3.307 12.530 1.00 0.00 N ATOM 270 CA LEU A 28 0.786 2.499 11.542 1.00 0.00 C ATOM 271 C LEU A 28 1.515 3.418 10.554 1.00 0.00 C ATOM 272 O LEU A 28 2.450 3.013 9.892 1.00 0.00 O ATOM 273 CB LEU A 28 -0.263 1.655 10.816 1.00 0.00 C ATOM 274 CG LEU A 28 -1.342 2.572 10.229 1.00 0.00 C ATOM 275 CD1 LEU A 28 -1.445 2.336 8.723 1.00 0.00 C ATOM 276 CD2 LEU A 28 -2.690 2.267 10.886 1.00 0.00 C ATOM 0 H LEU A 28 -0.988 3.115 12.557 1.00 0.00 H new ATOM 0 HA LEU A 28 1.548 1.883 12.020 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.208 1.075 10.022 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.713 0.942 11.507 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.075 3.612 10.418 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.212 2.987 8.304 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.486 2.556 8.254 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.710 1.296 8.535 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.455 2.920 10.467 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.959 1.227 10.699 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.618 2.436 11.960 1.00 0.00 H new ATOM 288 N LEU A 29 1.093 4.648 10.448 1.00 0.00 N ATOM 289 CA LEU A 29 1.763 5.585 9.497 1.00 0.00 C ATOM 290 C LEU A 29 3.033 6.168 10.123 1.00 0.00 C ATOM 291 O LEU A 29 3.963 6.535 9.432 1.00 0.00 O ATOM 292 CB LEU A 29 0.733 6.686 9.242 1.00 0.00 C ATOM 293 CG LEU A 29 0.112 6.499 7.856 1.00 0.00 C ATOM 294 CD1 LEU A 29 -0.530 5.112 7.761 1.00 0.00 C ATOM 295 CD2 LEU A 29 -0.959 7.569 7.628 1.00 0.00 C ATOM 0 H LEU A 29 0.316 5.046 10.976 1.00 0.00 H new ATOM 0 HA LEU A 29 2.070 5.089 8.576 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.043 6.655 10.006 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.208 7.665 9.309 1.00 0.00 H new ATOM 0 HG LEU A 29 0.890 6.591 7.098 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.971 4.982 6.773 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.230 4.347 7.922 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.306 5.018 8.520 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.402 7.436 6.641 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.734 7.476 8.389 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.505 8.558 7.692 1.00 0.00 H new ATOM 307 N LYS A 30 3.084 6.260 11.423 1.00 0.00 N ATOM 308 CA LYS A 30 4.298 6.822 12.083 1.00 0.00 C ATOM 309 C LYS A 30 5.529 5.982 11.730 1.00 0.00 C ATOM 310 O LYS A 30 6.430 6.438 11.055 1.00 0.00 O ATOM 311 CB LYS A 30 4.008 6.744 13.585 1.00 0.00 C ATOM 312 CG LYS A 30 4.649 7.941 14.290 1.00 0.00 C ATOM 313 CD LYS A 30 5.563 7.443 15.412 1.00 0.00 C ATOM 314 CE LYS A 30 5.508 8.419 16.589 1.00 0.00 C ATOM 315 NZ LYS A 30 6.639 9.361 16.362 1.00 0.00 N ATOM 0 H LYS A 30 2.339 5.971 12.057 1.00 0.00 H new ATOM 0 HA LYS A 30 4.506 7.842 11.761 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.932 6.739 13.759 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.401 5.814 13.995 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.221 8.533 13.576 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.876 8.593 14.698 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.251 6.450 15.735 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.587 7.353 15.048 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.555 8.947 16.620 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.614 7.897 17.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.667 10.062 17.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.534 8.831 16.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.507 9.849 15.453 1.00 0.00 H new ATOM 329 N ASP A 31 5.575 4.759 12.184 1.00 0.00 N ATOM 330 CA ASP A 31 6.749 3.893 11.874 1.00 0.00 C ATOM 331 C ASP A 31 6.843 3.647 10.366 1.00 0.00 C ATOM 332 O ASP A 31 7.918 3.511 9.815 1.00 0.00 O ATOM 333 CB ASP A 31 6.479 2.583 12.614 1.00 0.00 C ATOM 334 CG ASP A 31 6.760 2.769 14.107 1.00 0.00 C ATOM 335 OD1 ASP A 31 6.714 3.901 14.560 1.00 0.00 O ATOM 336 OD2 ASP A 31 7.019 1.779 14.769 1.00 0.00 O ATOM 0 H ASP A 31 4.852 4.322 12.755 1.00 0.00 H new ATOM 0 HA ASP A 31 7.691 4.349 12.180 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.444 2.276 12.464 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.109 1.790 12.211 1.00 0.00 H new ATOM 341 N SER A 32 5.727 3.584 9.694 1.00 0.00 N ATOM 342 CA SER A 32 5.754 3.344 8.222 1.00 0.00 C ATOM 343 C SER A 32 6.572 4.428 7.519 1.00 0.00 C ATOM 344 O SER A 32 7.503 4.142 6.790 1.00 0.00 O ATOM 345 CB SER A 32 4.291 3.408 7.785 1.00 0.00 C ATOM 346 OG SER A 32 4.231 3.666 6.388 1.00 0.00 O ATOM 0 H SER A 32 4.797 3.688 10.100 1.00 0.00 H new ATOM 0 HA SER A 32 6.215 2.389 7.969 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.789 2.468 8.015 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.769 4.191 8.334 1.00 0.00 H new ATOM 0 HG SER A 32 3.294 3.706 6.103 1.00 0.00 H new ATOM 352 N ILE A 33 6.236 5.671 7.728 1.00 0.00 N ATOM 353 CA ILE A 33 6.998 6.772 7.065 1.00 0.00 C ATOM 354 C ILE A 33 8.500 6.610 7.328 1.00 0.00 C ATOM 355 O ILE A 33 9.306 6.646 6.419 1.00 0.00 O ATOM 356 CB ILE A 33 6.471 8.059 7.706 1.00 0.00 C ATOM 357 CG1 ILE A 33 4.999 8.250 7.329 1.00 0.00 C ATOM 358 CG2 ILE A 33 7.281 9.255 7.204 1.00 0.00 C ATOM 359 CD1 ILE A 33 4.348 9.242 8.296 1.00 0.00 C ATOM 0 H ILE A 33 5.468 5.974 8.328 1.00 0.00 H new ATOM 0 HA ILE A 33 6.867 6.774 5.983 1.00 0.00 H new ATOM 0 HB ILE A 33 6.566 7.987 8.789 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.920 8.618 6.306 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.476 7.294 7.366 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.903 10.169 7.662 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.329 9.122 7.471 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.189 9.328 6.120 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.300 9.378 8.027 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.415 8.856 9.313 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.865 10.200 8.237 1.00 0.00 H new ATOM 371 N VAL A 34 8.881 6.433 8.565 1.00 0.00 N ATOM 372 CA VAL A 34 10.327 6.269 8.886 1.00 0.00 C ATOM 373 C VAL A 34 10.901 5.041 8.172 1.00 0.00 C ATOM 374 O VAL A 34 12.100 4.885 8.053 1.00 0.00 O ATOM 375 CB VAL A 34 10.376 6.075 10.402 1.00 0.00 C ATOM 376 CG1 VAL A 34 11.830 5.891 10.847 1.00 0.00 C ATOM 377 CG2 VAL A 34 9.784 7.304 11.093 1.00 0.00 C ATOM 0 H VAL A 34 8.252 6.395 9.367 1.00 0.00 H new ATOM 0 HA VAL A 34 10.917 7.126 8.561 1.00 0.00 H new ATOM 0 HB VAL A 34 9.798 5.192 10.673 1.00 0.00 H new ATOM 0 HG11 VAL A 34 11.865 5.753 11.928 1.00 0.00 H new ATOM 0 HG12 VAL A 34 12.253 5.015 10.355 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.408 6.774 10.575 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.819 7.166 12.174 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.361 8.188 10.821 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.749 7.436 10.777 1.00 0.00 H new ATOM 387 N GLN A 35 10.057 4.161 7.702 1.00 0.00 N ATOM 388 CA GLN A 35 10.563 2.944 7.004 1.00 0.00 C ATOM 389 C GLN A 35 10.398 3.088 5.488 1.00 0.00 C ATOM 390 O GLN A 35 11.226 2.635 4.721 1.00 0.00 O ATOM 391 CB GLN A 35 9.700 1.799 7.532 1.00 0.00 C ATOM 392 CG GLN A 35 10.600 0.686 8.075 1.00 0.00 C ATOM 393 CD GLN A 35 10.475 0.624 9.598 1.00 0.00 C ATOM 394 OE1 GLN A 35 9.996 -0.353 10.141 1.00 0.00 O ATOM 395 NE2 GLN A 35 10.895 1.629 10.316 1.00 0.00 N ATOM 0 H GLN A 35 9.042 4.232 7.771 1.00 0.00 H new ATOM 0 HA GLN A 35 11.624 2.776 7.189 1.00 0.00 H new ATOM 0 HB2 GLN A 35 9.038 2.162 8.319 1.00 0.00 H new ATOM 0 HB3 GLN A 35 9.065 1.411 6.735 1.00 0.00 H new ATOM 0 HG2 GLN A 35 10.316 -0.271 7.637 1.00 0.00 H new ATOM 0 HG3 GLN A 35 11.636 0.871 7.792 1.00 0.00 H new ATOM 0 HE21 GLN A 35 11.297 2.448 9.861 1.00 0.00 H new ATOM 0 HE22 GLN A 35 10.822 1.595 11.333 1.00 0.00 H new ATOM 404 N LEU A 36 9.338 3.707 5.049 1.00 0.00 N ATOM 405 CA LEU A 36 9.129 3.867 3.579 1.00 0.00 C ATOM 406 C LEU A 36 10.212 4.772 2.977 1.00 0.00 C ATOM 407 O LEU A 36 10.389 4.825 1.776 1.00 0.00 O ATOM 408 CB LEU A 36 7.748 4.508 3.435 1.00 0.00 C ATOM 409 CG LEU A 36 6.689 3.416 3.258 1.00 0.00 C ATOM 410 CD1 LEU A 36 6.998 2.602 2.001 1.00 0.00 C ATOM 411 CD2 LEU A 36 6.693 2.490 4.478 1.00 0.00 C ATOM 0 H LEU A 36 8.609 4.108 5.639 1.00 0.00 H new ATOM 0 HA LEU A 36 9.189 2.914 3.053 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.521 5.109 4.316 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.737 5.182 2.578 1.00 0.00 H new ATOM 0 HG LEU A 36 5.708 3.880 3.159 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.244 1.825 1.876 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.990 3.259 1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.981 2.141 2.099 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.938 1.714 4.349 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.675 2.028 4.581 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.469 3.068 5.374 1.00 0.00 H new ATOM 423 N CYS A 37 10.941 5.484 3.796 1.00 0.00 N ATOM 424 CA CYS A 37 12.008 6.375 3.256 1.00 0.00 C ATOM 425 C CYS A 37 13.016 5.556 2.440 1.00 0.00 C ATOM 426 O CYS A 37 13.108 5.694 1.236 1.00 0.00 O ATOM 427 CB CYS A 37 12.674 6.993 4.486 1.00 0.00 C ATOM 428 SG CYS A 37 13.471 8.550 4.020 1.00 0.00 S ATOM 0 H CYS A 37 10.844 5.487 4.811 1.00 0.00 H new ATOM 0 HA CYS A 37 11.611 7.140 2.589 1.00 0.00 H new ATOM 0 HB2 CYS A 37 11.932 7.170 5.264 1.00 0.00 H new ATOM 0 HB3 CYS A 37 13.411 6.304 4.899 1.00 0.00 H new ATOM 433 N THR A 38 13.763 4.702 3.082 1.00 0.00 N ATOM 434 CA THR A 38 14.754 3.870 2.340 1.00 0.00 C ATOM 435 C THR A 38 14.115 2.550 1.889 1.00 0.00 C ATOM 436 O THR A 38 14.778 1.676 1.364 1.00 0.00 O ATOM 437 CB THR A 38 15.871 3.602 3.347 1.00 0.00 C ATOM 438 OG1 THR A 38 16.413 4.838 3.791 1.00 0.00 O ATOM 439 CG2 THR A 38 16.968 2.766 2.687 1.00 0.00 C ATOM 0 H THR A 38 13.731 4.543 4.089 1.00 0.00 H new ATOM 0 HA THR A 38 15.118 4.368 1.441 1.00 0.00 H new ATOM 0 HB THR A 38 15.468 3.056 4.200 1.00 0.00 H new ATOM 0 HG1 THR A 38 17.129 4.668 4.438 1.00 0.00 H new ATOM 0 HG21 THR A 38 17.764 2.576 3.407 1.00 0.00 H new ATOM 0 HG22 THR A 38 16.550 1.818 2.350 1.00 0.00 H new ATOM 0 HG23 THR A 38 17.374 3.308 1.832 1.00 0.00 H new ATOM 447 N ALA A 39 12.835 2.393 2.098 1.00 0.00 N ATOM 448 CA ALA A 39 12.158 1.128 1.692 1.00 0.00 C ATOM 449 C ALA A 39 12.471 0.779 0.234 1.00 0.00 C ATOM 450 O ALA A 39 12.966 -0.289 -0.063 1.00 0.00 O ATOM 451 CB ALA A 39 10.665 1.412 1.871 1.00 0.00 C ATOM 0 H ALA A 39 12.228 3.088 2.533 1.00 0.00 H new ATOM 0 HA ALA A 39 12.493 0.277 2.286 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.091 0.528 1.593 1.00 0.00 H new ATOM 0 HB2 ALA A 39 10.465 1.662 2.913 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.375 2.248 1.235 1.00 0.00 H new ATOM 457 N ARG A 40 12.171 1.662 -0.683 1.00 0.00 N ATOM 458 CA ARG A 40 12.436 1.363 -2.123 1.00 0.00 C ATOM 459 C ARG A 40 11.886 -0.025 -2.495 1.00 0.00 C ATOM 460 O ARG A 40 12.586 -0.826 -3.081 1.00 0.00 O ATOM 461 CB ARG A 40 13.961 1.388 -2.258 1.00 0.00 C ATOM 462 CG ARG A 40 14.470 2.815 -2.064 1.00 0.00 C ATOM 463 CD ARG A 40 15.672 3.057 -2.978 1.00 0.00 C ATOM 464 NE ARG A 40 15.302 4.249 -3.793 1.00 0.00 N ATOM 465 CZ ARG A 40 15.725 4.352 -5.024 1.00 0.00 C ATOM 466 NH1 ARG A 40 16.985 4.159 -5.300 1.00 0.00 N ATOM 467 NH2 ARG A 40 14.886 4.652 -5.978 1.00 0.00 N ATOM 0 H ARG A 40 11.755 2.575 -0.498 1.00 0.00 H new ATOM 0 HA ARG A 40 11.953 2.081 -2.786 1.00 0.00 H new ATOM 0 HB2 ARG A 40 14.412 0.727 -1.518 1.00 0.00 H new ATOM 0 HB3 ARG A 40 14.255 1.017 -3.240 1.00 0.00 H new ATOM 0 HG2 ARG A 40 13.678 3.529 -2.291 1.00 0.00 H new ATOM 0 HG3 ARG A 40 14.753 2.973 -1.023 1.00 0.00 H new ATOM 0 HD2 ARG A 40 16.577 3.240 -2.399 1.00 0.00 H new ATOM 0 HD3 ARG A 40 15.868 2.191 -3.611 1.00 0.00 H new ATOM 0 HE ARG A 40 14.719 4.983 -3.390 1.00 0.00 H new ATOM 0 HH11 ARG A 40 17.641 3.927 -4.554 1.00 0.00 H new ATOM 0 HH12 ARG A 40 17.315 4.240 -6.262 1.00 0.00 H new ATOM 0 HH21 ARG A 40 13.901 4.806 -5.761 1.00 0.00 H new ATOM 0 HH22 ARG A 40 15.215 4.733 -6.940 1.00 0.00 H new ATOM 481 N PRO A 41 10.646 -0.270 -2.136 1.00 0.00 N ATOM 482 CA PRO A 41 10.015 -1.579 -2.435 1.00 0.00 C ATOM 483 C PRO A 41 9.619 -1.666 -3.912 1.00 0.00 C ATOM 484 O PRO A 41 8.844 -0.869 -4.401 1.00 0.00 O ATOM 485 CB PRO A 41 8.770 -1.587 -1.555 1.00 0.00 C ATOM 486 CG PRO A 41 8.441 -0.146 -1.326 1.00 0.00 C ATOM 487 CD PRO A 41 9.726 0.630 -1.426 1.00 0.00 C ATOM 0 HA PRO A 41 10.681 -2.420 -2.245 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.946 -2.106 -2.044 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.957 -2.103 -0.613 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.722 0.206 -2.066 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.984 -0.008 -0.346 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.585 1.563 -1.971 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.109 0.892 -0.440 1.00 0.00 H new ATOM 495 N GLU A 42 10.131 -2.634 -4.622 1.00 0.00 N ATOM 496 CA GLU A 42 9.760 -2.772 -6.060 1.00 0.00 C ATOM 497 C GLU A 42 8.236 -2.866 -6.182 1.00 0.00 C ATOM 498 O GLU A 42 7.653 -2.495 -7.181 1.00 0.00 O ATOM 499 CB GLU A 42 10.421 -4.072 -6.520 1.00 0.00 C ATOM 500 CG GLU A 42 9.857 -5.246 -5.716 1.00 0.00 C ATOM 501 CD GLU A 42 10.822 -6.429 -5.793 1.00 0.00 C ATOM 502 OE1 GLU A 42 11.979 -6.249 -5.447 1.00 0.00 O ATOM 503 OE2 GLU A 42 10.390 -7.498 -6.194 1.00 0.00 O ATOM 0 H GLU A 42 10.787 -3.332 -4.271 1.00 0.00 H new ATOM 0 HA GLU A 42 10.085 -1.925 -6.664 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.241 -4.227 -7.584 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.501 -4.011 -6.385 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.709 -4.951 -4.677 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.881 -5.533 -6.108 1.00 0.00 H new ATOM 510 N ARG A 43 7.595 -3.360 -5.159 1.00 0.00 N ATOM 511 CA ARG A 43 6.110 -3.482 -5.181 1.00 0.00 C ATOM 512 C ARG A 43 5.548 -3.157 -3.791 1.00 0.00 C ATOM 513 O ARG A 43 5.450 -4.026 -2.947 1.00 0.00 O ATOM 514 CB ARG A 43 5.842 -4.946 -5.540 1.00 0.00 C ATOM 515 CG ARG A 43 4.600 -5.035 -6.429 1.00 0.00 C ATOM 516 CD ARG A 43 4.099 -6.480 -6.463 1.00 0.00 C ATOM 517 NE ARG A 43 2.899 -6.451 -7.344 1.00 0.00 N ATOM 518 CZ ARG A 43 2.501 -7.542 -7.939 1.00 0.00 C ATOM 519 NH1 ARG A 43 2.448 -8.666 -7.277 1.00 0.00 N ATOM 520 NH2 ARG A 43 2.155 -7.511 -9.197 1.00 0.00 N ATOM 0 H ARG A 43 8.040 -3.687 -4.302 1.00 0.00 H new ATOM 0 HA ARG A 43 5.641 -2.799 -5.889 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.704 -5.368 -6.057 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.696 -5.533 -4.633 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.819 -4.377 -6.048 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.837 -4.697 -7.438 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.861 -7.153 -6.856 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.846 -6.834 -5.463 1.00 0.00 H new ATOM 0 HE ARG A 43 2.388 -5.579 -7.482 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.718 -8.692 -6.294 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.137 -9.518 -7.743 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.196 -6.634 -9.716 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.844 -8.364 -9.662 1.00 0.00 H new ATOM 534 N PRO A 44 5.206 -1.907 -3.593 1.00 0.00 N ATOM 535 CA PRO A 44 4.663 -1.469 -2.282 1.00 0.00 C ATOM 536 C PRO A 44 3.256 -2.031 -2.063 1.00 0.00 C ATOM 537 O PRO A 44 2.774 -2.106 -0.949 1.00 0.00 O ATOM 538 CB PRO A 44 4.635 0.053 -2.392 1.00 0.00 C ATOM 539 CG PRO A 44 4.564 0.332 -3.859 1.00 0.00 C ATOM 540 CD PRO A 44 5.287 -0.796 -4.551 1.00 0.00 C ATOM 0 HA PRO A 44 5.258 -1.818 -1.438 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.775 0.471 -1.868 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.526 0.498 -1.948 1.00 0.00 H new ATOM 0 HG2 PRO A 44 3.528 0.389 -4.192 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.028 1.290 -4.093 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.815 -1.051 -5.500 1.00 0.00 H new ATOM 0 HD3 PRO A 44 6.322 -0.532 -4.771 1.00 0.00 H new ATOM 548 N MET A 45 2.593 -2.433 -3.115 1.00 0.00 N ATOM 549 CA MET A 45 1.220 -2.996 -2.961 1.00 0.00 C ATOM 550 C MET A 45 1.219 -4.094 -1.892 1.00 0.00 C ATOM 551 O MET A 45 0.434 -4.075 -0.967 1.00 0.00 O ATOM 552 CB MET A 45 0.874 -3.578 -4.332 1.00 0.00 C ATOM 553 CG MET A 45 -0.007 -2.591 -5.100 1.00 0.00 C ATOM 554 SD MET A 45 1.039 -1.371 -5.933 1.00 0.00 S ATOM 555 CE MET A 45 -0.295 -0.397 -6.674 1.00 0.00 C ATOM 0 H MET A 45 2.942 -2.396 -4.073 1.00 0.00 H new ATOM 0 HA MET A 45 0.496 -2.245 -2.645 1.00 0.00 H new ATOM 0 HB2 MET A 45 1.786 -3.780 -4.893 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.355 -4.529 -4.214 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.616 -3.123 -5.831 1.00 0.00 H new ATOM 0 HG3 MET A 45 -0.693 -2.091 -4.416 1.00 0.00 H new ATOM 0 HE1 MET A 45 0.131 0.427 -7.246 1.00 0.00 H new ATOM 0 HE2 MET A 45 -0.885 -1.032 -7.335 1.00 0.00 H new ATOM 0 HE3 MET A 45 -0.935 0.001 -5.887 1.00 0.00 H new ATOM 565 N ALA A 46 2.102 -5.048 -2.015 1.00 0.00 N ATOM 566 CA ALA A 46 2.161 -6.144 -1.004 1.00 0.00 C ATOM 567 C ALA A 46 3.125 -5.782 0.133 1.00 0.00 C ATOM 568 O ALA A 46 3.387 -6.580 1.013 1.00 0.00 O ATOM 569 CB ALA A 46 2.673 -7.362 -1.775 1.00 0.00 C ATOM 0 H ALA A 46 2.784 -5.116 -2.770 1.00 0.00 H new ATOM 0 HA ALA A 46 1.191 -6.327 -0.542 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.746 -8.215 -1.101 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.982 -7.597 -2.585 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.657 -7.143 -2.190 1.00 0.00 H new ATOM 575 N PHE A 47 3.656 -4.586 0.132 1.00 0.00 N ATOM 576 CA PHE A 47 4.598 -4.187 1.219 1.00 0.00 C ATOM 577 C PHE A 47 3.818 -3.840 2.487 1.00 0.00 C ATOM 578 O PHE A 47 4.205 -4.190 3.584 1.00 0.00 O ATOM 579 CB PHE A 47 5.327 -2.956 0.683 1.00 0.00 C ATOM 580 CG PHE A 47 6.278 -2.436 1.737 1.00 0.00 C ATOM 581 CD1 PHE A 47 5.814 -1.538 2.725 1.00 0.00 C ATOM 582 CD2 PHE A 47 7.630 -2.847 1.735 1.00 0.00 C ATOM 583 CE1 PHE A 47 6.703 -1.051 3.710 1.00 0.00 C ATOM 584 CE2 PHE A 47 8.518 -2.360 2.720 1.00 0.00 C ATOM 585 CZ PHE A 47 8.054 -1.462 3.708 1.00 0.00 C ATOM 0 H PHE A 47 3.478 -3.871 -0.573 1.00 0.00 H new ATOM 0 HA PHE A 47 5.292 -4.986 1.480 1.00 0.00 H new ATOM 0 HB2 PHE A 47 5.876 -3.211 -0.224 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.608 -2.183 0.413 1.00 0.00 H new ATOM 0 HD1 PHE A 47 4.781 -1.224 2.727 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.985 -3.533 0.980 1.00 0.00 H new ATOM 0 HE1 PHE A 47 6.349 -0.364 4.465 1.00 0.00 H new ATOM 0 HE2 PHE A 47 9.551 -2.674 2.718 1.00 0.00 H new ATOM 0 HZ PHE A 47 8.733 -1.090 4.461 1.00 0.00 H new ATOM 595 N LEU A 48 2.717 -3.149 2.347 1.00 0.00 N ATOM 596 CA LEU A 48 1.914 -2.780 3.546 1.00 0.00 C ATOM 597 C LEU A 48 1.529 -4.036 4.332 1.00 0.00 C ATOM 598 O LEU A 48 1.770 -4.138 5.521 1.00 0.00 O ATOM 599 CB LEU A 48 0.664 -2.094 2.992 1.00 0.00 C ATOM 600 CG LEU A 48 -0.240 -1.663 4.150 1.00 0.00 C ATOM 601 CD1 LEU A 48 0.526 -0.710 5.072 1.00 0.00 C ATOM 602 CD2 LEU A 48 -1.477 -0.954 3.593 1.00 0.00 C ATOM 0 H LEU A 48 2.341 -2.826 1.456 1.00 0.00 H new ATOM 0 HA LEU A 48 2.466 -2.134 4.228 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.947 -1.227 2.396 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.126 -2.774 2.331 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.549 -2.542 4.716 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.119 -0.404 5.896 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.406 -1.216 5.469 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.837 0.170 4.509 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.122 -0.647 4.416 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.169 -0.076 3.026 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.023 -1.634 2.939 1.00 0.00 H new ATOM 614 N ARG A 49 0.929 -4.994 3.678 1.00 0.00 N ATOM 615 CA ARG A 49 0.527 -6.241 4.390 1.00 0.00 C ATOM 616 C ARG A 49 1.746 -6.892 5.048 1.00 0.00 C ATOM 617 O ARG A 49 1.677 -7.381 6.157 1.00 0.00 O ATOM 618 CB ARG A 49 -0.056 -7.152 3.306 1.00 0.00 C ATOM 619 CG ARG A 49 0.998 -7.432 2.233 1.00 0.00 C ATOM 620 CD ARG A 49 0.374 -8.261 1.108 1.00 0.00 C ATOM 621 NE ARG A 49 0.258 -9.637 1.666 1.00 0.00 N ATOM 622 CZ ARG A 49 0.673 -10.659 0.969 1.00 0.00 C ATOM 623 NH1 ARG A 49 1.948 -10.918 0.885 1.00 0.00 N ATOM 624 NH2 ARG A 49 -0.190 -11.425 0.360 1.00 0.00 N ATOM 0 H ARG A 49 0.700 -4.967 2.684 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.194 -6.048 5.185 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.393 -8.089 3.750 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.929 -6.681 2.855 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.386 -6.494 1.836 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.842 -7.967 2.668 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.601 -7.867 0.821 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.998 -8.248 0.215 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.145 -9.780 2.592 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.622 -10.321 1.364 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.271 -11.717 0.340 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.188 -11.225 0.429 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.133 -12.224 -0.185 1.00 0.00 H new ATOM 638 N GLU A 50 2.865 -6.902 4.374 1.00 0.00 N ATOM 639 CA GLU A 50 4.085 -7.522 4.962 1.00 0.00 C ATOM 640 C GLU A 50 4.772 -6.547 5.925 1.00 0.00 C ATOM 641 O GLU A 50 5.595 -6.934 6.729 1.00 0.00 O ATOM 642 CB GLU A 50 4.989 -7.823 3.766 1.00 0.00 C ATOM 643 CG GLU A 50 5.625 -9.202 3.940 1.00 0.00 C ATOM 644 CD GLU A 50 4.627 -10.283 3.524 1.00 0.00 C ATOM 645 OE1 GLU A 50 3.733 -9.970 2.754 1.00 0.00 O ATOM 646 OE2 GLU A 50 4.773 -11.404 3.980 1.00 0.00 O ATOM 0 H GLU A 50 2.986 -6.507 3.441 1.00 0.00 H new ATOM 0 HA GLU A 50 3.854 -8.419 5.537 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.410 -7.792 2.843 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.764 -7.061 3.682 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.529 -9.276 3.336 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.923 -9.348 4.978 1.00 0.00 H new ATOM 653 N TYR A 51 4.444 -5.285 5.848 1.00 0.00 N ATOM 654 CA TYR A 51 5.082 -4.294 6.761 1.00 0.00 C ATOM 655 C TYR A 51 4.660 -4.557 8.213 1.00 0.00 C ATOM 656 O TYR A 51 5.452 -4.979 9.032 1.00 0.00 O ATOM 657 CB TYR A 51 4.575 -2.929 6.277 1.00 0.00 C ATOM 658 CG TYR A 51 4.923 -1.859 7.287 1.00 0.00 C ATOM 659 CD1 TYR A 51 6.187 -1.228 7.247 1.00 0.00 C ATOM 660 CD2 TYR A 51 3.983 -1.496 8.277 1.00 0.00 C ATOM 661 CE1 TYR A 51 6.508 -0.231 8.199 1.00 0.00 C ATOM 662 CE2 TYR A 51 4.304 -0.501 9.226 1.00 0.00 C ATOM 663 CZ TYR A 51 5.567 0.131 9.188 1.00 0.00 C ATOM 664 OH TYR A 51 5.881 1.100 10.118 1.00 0.00 O ATOM 0 H TYR A 51 3.763 -4.899 5.194 1.00 0.00 H new ATOM 0 HA TYR A 51 6.170 -4.350 6.742 1.00 0.00 H new ATOM 0 HB2 TYR A 51 5.020 -2.688 5.312 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.496 -2.964 6.130 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.907 -1.506 6.491 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.018 -1.980 8.308 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.473 0.253 8.169 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.584 -0.223 9.981 1.00 0.00 H new ATOM 0 HH TYR A 51 5.063 1.399 10.567 1.00 0.00 H new ATOM 674 N PHE A 52 3.421 -4.301 8.541 1.00 0.00 N ATOM 675 CA PHE A 52 2.965 -4.529 9.943 1.00 0.00 C ATOM 676 C PHE A 52 2.946 -6.025 10.266 1.00 0.00 C ATOM 677 O PHE A 52 3.250 -6.431 11.371 1.00 0.00 O ATOM 678 CB PHE A 52 1.555 -3.943 10.008 1.00 0.00 C ATOM 679 CG PHE A 52 1.391 -3.178 11.301 1.00 0.00 C ATOM 680 CD1 PHE A 52 1.009 -3.857 12.479 1.00 0.00 C ATOM 681 CD2 PHE A 52 1.626 -1.786 11.332 1.00 0.00 C ATOM 682 CE1 PHE A 52 0.859 -3.143 13.689 1.00 0.00 C ATOM 683 CE2 PHE A 52 1.477 -1.071 12.541 1.00 0.00 C ATOM 684 CZ PHE A 52 1.093 -1.749 13.719 1.00 0.00 C ATOM 0 H PHE A 52 2.709 -3.946 7.903 1.00 0.00 H new ATOM 0 HA PHE A 52 3.631 -4.062 10.669 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.383 -3.283 9.157 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.814 -4.740 9.947 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.832 -4.922 12.455 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.920 -1.268 10.431 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.566 -3.662 14.590 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.657 -0.006 12.565 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.978 -1.202 14.643 1.00 0.00 H new ATOM 694 N GLU A 53 2.591 -6.849 9.318 1.00 0.00 N ATOM 695 CA GLU A 53 2.559 -8.316 9.587 1.00 0.00 C ATOM 696 C GLU A 53 3.933 -8.794 10.065 1.00 0.00 C ATOM 697 O GLU A 53 4.059 -9.419 11.099 1.00 0.00 O ATOM 698 CB GLU A 53 2.205 -8.961 8.248 1.00 0.00 C ATOM 699 CG GLU A 53 2.227 -10.484 8.396 1.00 0.00 C ATOM 700 CD GLU A 53 3.345 -11.063 7.526 1.00 0.00 C ATOM 701 OE1 GLU A 53 3.198 -11.044 6.315 1.00 0.00 O ATOM 702 OE2 GLU A 53 4.330 -11.516 8.087 1.00 0.00 O ATOM 0 H GLU A 53 2.323 -6.572 8.373 1.00 0.00 H new ATOM 0 HA GLU A 53 1.841 -8.576 10.365 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.219 -8.630 7.922 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.915 -8.649 7.482 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.385 -10.757 9.439 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.266 -10.903 8.099 1.00 0.00 H new ATOM 709 N LYS A 54 4.963 -8.504 9.318 1.00 0.00 N ATOM 710 CA LYS A 54 6.328 -8.940 9.726 1.00 0.00 C ATOM 711 C LYS A 54 6.732 -8.261 11.038 1.00 0.00 C ATOM 712 O LYS A 54 7.550 -8.766 11.782 1.00 0.00 O ATOM 713 CB LYS A 54 7.243 -8.487 8.587 1.00 0.00 C ATOM 714 CG LYS A 54 8.497 -9.362 8.561 1.00 0.00 C ATOM 715 CD LYS A 54 8.491 -10.224 7.296 1.00 0.00 C ATOM 716 CE LYS A 54 9.281 -11.509 7.552 1.00 0.00 C ATOM 717 NZ LYS A 54 10.708 -11.086 7.564 1.00 0.00 N ATOM 0 H LYS A 54 4.918 -7.983 8.442 1.00 0.00 H new ATOM 0 HA LYS A 54 6.384 -10.015 9.895 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.718 -8.557 7.635 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.519 -7.441 8.722 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.390 -8.737 8.584 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.529 -9.997 9.446 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.467 -10.465 7.012 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.931 -9.673 6.465 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.996 -11.965 8.500 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.095 -12.249 6.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.267 -11.735 6.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.787 -10.120 7.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.068 -11.107 8.539 1.00 0.00 H new ATOM 731 N LEU A 55 6.165 -7.124 11.327 1.00 0.00 N ATOM 732 CA LEU A 55 6.516 -6.415 12.590 1.00 0.00 C ATOM 733 C LEU A 55 5.917 -7.150 13.793 1.00 0.00 C ATOM 734 O LEU A 55 6.370 -7.005 14.910 1.00 0.00 O ATOM 735 CB LEU A 55 5.897 -5.023 12.449 1.00 0.00 C ATOM 736 CG LEU A 55 6.941 -3.962 12.802 1.00 0.00 C ATOM 737 CD1 LEU A 55 6.424 -2.581 12.396 1.00 0.00 C ATOM 738 CD2 LEU A 55 7.200 -3.984 14.310 1.00 0.00 C ATOM 0 H LEU A 55 5.473 -6.654 10.743 1.00 0.00 H new ATOM 0 HA LEU A 55 7.593 -6.367 12.751 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.541 -4.873 11.430 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.032 -4.930 13.106 1.00 0.00 H new ATOM 0 HG LEU A 55 7.868 -4.174 12.269 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.168 -1.825 12.648 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.238 -2.563 11.322 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.497 -2.369 12.928 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.944 -3.228 14.562 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.272 -3.772 14.842 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.569 -4.967 14.602 1.00 0.00 H new ATOM 750 N GLU A 56 4.900 -7.940 13.572 1.00 0.00 N ATOM 751 CA GLU A 56 4.275 -8.685 14.702 1.00 0.00 C ATOM 752 C GLU A 56 5.036 -9.987 14.960 1.00 0.00 C ATOM 753 O GLU A 56 5.041 -10.507 16.058 1.00 0.00 O ATOM 754 CB GLU A 56 2.848 -8.978 14.240 1.00 0.00 C ATOM 755 CG GLU A 56 1.984 -7.729 14.421 1.00 0.00 C ATOM 756 CD GLU A 56 1.851 -7.412 15.912 1.00 0.00 C ATOM 757 OE1 GLU A 56 0.984 -7.989 16.546 1.00 0.00 O ATOM 758 OE2 GLU A 56 2.619 -6.596 16.394 1.00 0.00 O ATOM 0 H GLU A 56 4.476 -8.101 12.658 1.00 0.00 H new ATOM 0 HA GLU A 56 4.293 -8.118 15.633 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.849 -9.283 13.194 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.432 -9.807 14.813 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.432 -6.885 13.897 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.999 -7.889 13.983 1.00 0.00 H new ATOM 765 N LYS A 57 5.679 -10.518 13.955 1.00 0.00 N ATOM 766 CA LYS A 57 6.438 -11.787 14.142 1.00 0.00 C ATOM 767 C LYS A 57 7.582 -11.578 15.136 1.00 0.00 C ATOM 768 O LYS A 57 7.961 -12.478 15.859 1.00 0.00 O ATOM 769 CB LYS A 57 6.986 -12.126 12.755 1.00 0.00 C ATOM 770 CG LYS A 57 7.770 -13.437 12.823 1.00 0.00 C ATOM 771 CD LYS A 57 8.496 -13.668 11.496 1.00 0.00 C ATOM 772 CE LYS A 57 9.786 -12.846 11.471 1.00 0.00 C ATOM 773 NZ LYS A 57 10.701 -13.596 10.568 1.00 0.00 N ATOM 0 H LYS A 57 5.711 -10.128 13.013 1.00 0.00 H new ATOM 0 HA LYS A 57 5.815 -12.587 14.541 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.167 -12.216 12.041 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.631 -11.322 12.401 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.489 -13.401 13.641 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.094 -14.267 13.029 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.724 -14.727 11.374 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.854 -13.382 10.663 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.604 -11.837 11.100 1.00 0.00 H new ATOM 0 HE3 LYS A 57 10.211 -12.747 12.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 11.609 -13.094 10.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.861 -14.550 10.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.273 -13.669 9.623 1.00 0.00 H new ATOM 787 N GLU A 58 8.135 -10.397 15.181 1.00 0.00 N ATOM 788 CA GLU A 58 9.254 -10.135 16.133 1.00 0.00 C ATOM 789 C GLU A 58 8.699 -9.691 17.487 1.00 0.00 C ATOM 790 O GLU A 58 9.299 -9.917 18.519 1.00 0.00 O ATOM 791 CB GLU A 58 10.068 -9.009 15.490 1.00 0.00 C ATOM 792 CG GLU A 58 11.453 -9.534 15.111 1.00 0.00 C ATOM 793 CD GLU A 58 12.468 -9.112 16.176 1.00 0.00 C ATOM 794 OE1 GLU A 58 12.161 -9.254 17.348 1.00 0.00 O ATOM 795 OE2 GLU A 58 13.534 -8.654 15.801 1.00 0.00 O ATOM 0 H GLU A 58 7.862 -9.603 14.602 1.00 0.00 H new ATOM 0 HA GLU A 58 9.861 -11.023 16.313 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.554 -8.634 14.605 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.161 -8.172 16.182 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.431 -10.620 15.025 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.748 -9.143 14.137 1.00 0.00 H new ATOM 922 N CYS B 16 16.885 10.272 0.292 1.00 0.00 N ATOM 923 CA CYS B 16 15.673 9.516 0.717 1.00 0.00 C ATOM 924 C CYS B 16 14.406 10.212 0.209 1.00 0.00 C ATOM 925 O CYS B 16 13.356 9.611 0.098 1.00 0.00 O ATOM 926 CB CYS B 16 15.715 9.530 2.246 1.00 0.00 C ATOM 927 SG CYS B 16 15.040 7.977 2.885 1.00 0.00 S ATOM 0 HA CYS B 16 15.659 8.502 0.317 1.00 0.00 H new ATOM 0 HB2 CYS B 16 16.741 9.662 2.591 1.00 0.00 H new ATOM 0 HB3 CYS B 16 15.140 10.373 2.628 1.00 0.00 H new ATOM 932 N GLU B 17 14.498 11.478 -0.097 1.00 0.00 N ATOM 933 CA GLU B 17 13.302 12.216 -0.594 1.00 0.00 C ATOM 934 C GLU B 17 12.835 11.647 -1.942 1.00 0.00 C ATOM 935 O GLU B 17 11.740 11.920 -2.393 1.00 0.00 O ATOM 936 CB GLU B 17 13.771 13.661 -0.756 1.00 0.00 C ATOM 937 CG GLU B 17 13.413 14.459 0.498 1.00 0.00 C ATOM 938 CD GLU B 17 11.937 14.857 0.445 1.00 0.00 C ATOM 939 OE1 GLU B 17 11.113 14.067 0.872 1.00 0.00 O ATOM 940 OE2 GLU B 17 11.656 15.951 -0.023 1.00 0.00 O ATOM 0 H GLU B 17 15.351 12.033 -0.024 1.00 0.00 H new ATOM 0 HA GLU B 17 12.457 12.132 0.089 1.00 0.00 H new ATOM 0 HB2 GLU B 17 14.848 13.688 -0.922 1.00 0.00 H new ATOM 0 HB3 GLU B 17 13.302 14.110 -1.632 1.00 0.00 H new ATOM 0 HG2 GLU B 17 13.608 13.863 1.389 1.00 0.00 H new ATOM 0 HG3 GLU B 17 14.038 15.349 0.567 1.00 0.00 H new ATOM 947 N LEU B 18 13.656 10.866 -2.589 1.00 0.00 N ATOM 948 CA LEU B 18 13.253 10.291 -3.905 1.00 0.00 C ATOM 949 C LEU B 18 11.943 9.506 -3.767 1.00 0.00 C ATOM 950 O LEU B 18 10.893 9.959 -4.174 1.00 0.00 O ATOM 951 CB LEU B 18 14.400 9.355 -4.294 1.00 0.00 C ATOM 952 CG LEU B 18 15.623 10.184 -4.693 1.00 0.00 C ATOM 953 CD1 LEU B 18 16.834 9.264 -4.861 1.00 0.00 C ATOM 954 CD2 LEU B 18 15.347 10.904 -6.015 1.00 0.00 C ATOM 0 H LEU B 18 14.586 10.601 -2.265 1.00 0.00 H new ATOM 0 HA LEU B 18 13.080 11.062 -4.656 1.00 0.00 H new ATOM 0 HB2 LEU B 18 14.648 8.700 -3.459 1.00 0.00 H new ATOM 0 HB3 LEU B 18 14.096 8.714 -5.122 1.00 0.00 H new ATOM 0 HG LEU B 18 15.828 10.919 -3.914 1.00 0.00 H new ATOM 0 HD11 LEU B 18 17.704 9.856 -5.145 1.00 0.00 H new ATOM 0 HD12 LEU B 18 17.035 8.752 -3.920 1.00 0.00 H new ATOM 0 HD13 LEU B 18 16.627 8.528 -5.638 1.00 0.00 H new ATOM 0 HD21 LEU B 18 16.219 11.494 -6.297 1.00 0.00 H new ATOM 0 HD22 LEU B 18 15.139 10.169 -6.793 1.00 0.00 H new ATOM 0 HD23 LEU B 18 14.486 11.562 -5.898 1.00 0.00 H new ATOM 966 N TYR B 19 12.001 8.333 -3.200 1.00 0.00 N ATOM 967 CA TYR B 19 10.761 7.517 -3.041 1.00 0.00 C ATOM 968 C TYR B 19 9.677 8.326 -2.323 1.00 0.00 C ATOM 969 O TYR B 19 8.584 8.498 -2.823 1.00 0.00 O ATOM 970 CB TYR B 19 11.186 6.317 -2.194 1.00 0.00 C ATOM 971 CG TYR B 19 10.085 5.284 -2.196 1.00 0.00 C ATOM 972 CD1 TYR B 19 9.820 4.535 -3.364 1.00 0.00 C ATOM 973 CD2 TYR B 19 9.321 5.065 -1.028 1.00 0.00 C ATOM 974 CE1 TYR B 19 8.788 3.568 -3.366 1.00 0.00 C ATOM 975 CE2 TYR B 19 8.292 4.098 -1.027 1.00 0.00 C ATOM 976 CZ TYR B 19 8.024 3.351 -2.196 1.00 0.00 C ATOM 977 OH TYR B 19 7.018 2.406 -2.197 1.00 0.00 O ATOM 0 H TYR B 19 12.853 7.903 -2.839 1.00 0.00 H new ATOM 0 HA TYR B 19 10.342 7.213 -4.000 1.00 0.00 H new ATOM 0 HB2 TYR B 19 12.105 5.885 -2.591 1.00 0.00 H new ATOM 0 HB3 TYR B 19 11.398 6.636 -1.173 1.00 0.00 H new ATOM 0 HD1 TYR B 19 10.406 4.701 -4.256 1.00 0.00 H new ATOM 0 HD2 TYR B 19 9.524 5.638 -0.135 1.00 0.00 H new ATOM 0 HE1 TYR B 19 8.584 2.996 -4.259 1.00 0.00 H new ATOM 0 HE2 TYR B 19 7.710 3.929 -0.133 1.00 0.00 H new ATOM 0 HH TYR B 19 6.592 2.381 -1.315 1.00 0.00 H new ATOM 987 N VAL B 20 9.977 8.824 -1.156 1.00 0.00 N ATOM 988 CA VAL B 20 8.977 9.628 -0.395 1.00 0.00 C ATOM 989 C VAL B 20 8.688 10.934 -1.127 1.00 0.00 C ATOM 990 O VAL B 20 9.081 11.997 -0.691 1.00 0.00 O ATOM 991 CB VAL B 20 9.635 9.904 0.956 1.00 0.00 C ATOM 992 CG1 VAL B 20 8.724 10.805 1.793 1.00 0.00 C ATOM 993 CG2 VAL B 20 9.857 8.582 1.694 1.00 0.00 C ATOM 0 H VAL B 20 10.878 8.708 -0.693 1.00 0.00 H new ATOM 0 HA VAL B 20 8.025 9.108 -0.284 1.00 0.00 H new ATOM 0 HB VAL B 20 10.593 10.400 0.798 1.00 0.00 H new ATOM 0 HG11 VAL B 20 9.193 11.002 2.757 1.00 0.00 H new ATOM 0 HG12 VAL B 20 8.563 11.747 1.269 1.00 0.00 H new ATOM 0 HG13 VAL B 20 7.766 10.309 1.950 1.00 0.00 H new ATOM 0 HG21 VAL B 20 10.326 8.778 2.658 1.00 0.00 H new ATOM 0 HG22 VAL B 20 8.898 8.088 1.851 1.00 0.00 H new ATOM 0 HG23 VAL B 20 10.505 7.938 1.099 1.00 0.00 H new ATOM 1003 N GLN B 21 7.993 10.859 -2.229 1.00 0.00 N ATOM 1004 CA GLN B 21 7.651 12.098 -2.983 1.00 0.00 C ATOM 1005 C GLN B 21 6.748 12.961 -2.095 1.00 0.00 C ATOM 1006 O GLN B 21 7.077 13.219 -0.955 1.00 0.00 O ATOM 1007 CB GLN B 21 6.918 11.609 -4.235 1.00 0.00 C ATOM 1008 CG GLN B 21 7.850 10.715 -5.055 1.00 0.00 C ATOM 1009 CD GLN B 21 8.191 11.409 -6.375 1.00 0.00 C ATOM 1010 OE1 GLN B 21 8.912 12.388 -6.392 1.00 0.00 O ATOM 1011 NE2 GLN B 21 7.701 10.941 -7.490 1.00 0.00 N ATOM 0 H GLN B 21 7.647 9.992 -2.640 1.00 0.00 H new ATOM 0 HA GLN B 21 8.515 12.703 -3.259 1.00 0.00 H new ATOM 0 HB2 GLN B 21 6.022 11.056 -3.952 1.00 0.00 H new ATOM 0 HB3 GLN B 21 6.592 12.459 -4.834 1.00 0.00 H new ATOM 0 HG2 GLN B 21 8.761 10.510 -4.494 1.00 0.00 H new ATOM 0 HG3 GLN B 21 7.372 9.755 -5.249 1.00 0.00 H new ATOM 0 HE21 GLN B 21 7.096 10.120 -7.476 1.00 0.00 H new ATOM 0 HE22 GLN B 21 7.923 11.396 -8.375 1.00 0.00 H new ATOM 1020 N LYS B 22 5.598 13.382 -2.562 1.00 0.00 N ATOM 1021 CA LYS B 22 4.710 14.175 -1.663 1.00 0.00 C ATOM 1022 C LYS B 22 4.494 13.361 -0.381 1.00 0.00 C ATOM 1023 O LYS B 22 4.312 13.893 0.696 1.00 0.00 O ATOM 1024 CB LYS B 22 3.399 14.344 -2.432 1.00 0.00 C ATOM 1025 CG LYS B 22 2.900 15.783 -2.279 1.00 0.00 C ATOM 1026 CD LYS B 22 2.758 16.424 -3.661 1.00 0.00 C ATOM 1027 CE LYS B 22 2.168 17.829 -3.515 1.00 0.00 C ATOM 1028 NZ LYS B 22 3.339 18.713 -3.258 1.00 0.00 N ATOM 0 H LYS B 22 5.244 13.215 -3.504 1.00 0.00 H new ATOM 0 HA LYS B 22 5.121 15.146 -1.388 1.00 0.00 H new ATOM 0 HB2 LYS B 22 3.550 14.110 -3.486 1.00 0.00 H new ATOM 0 HB3 LYS B 22 2.651 13.646 -2.055 1.00 0.00 H new ATOM 0 HG2 LYS B 22 1.941 15.793 -1.761 1.00 0.00 H new ATOM 0 HG3 LYS B 22 3.597 16.358 -1.670 1.00 0.00 H new ATOM 0 HD2 LYS B 22 3.730 16.476 -4.151 1.00 0.00 H new ATOM 0 HD3 LYS B 22 2.115 15.812 -4.293 1.00 0.00 H new ATOM 0 HE2 LYS B 22 1.637 18.130 -4.418 1.00 0.00 H new ATOM 0 HE3 LYS B 22 1.452 17.873 -2.694 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 3.015 19.695 -3.147 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 3.821 18.407 -2.389 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 4.000 18.655 -4.059 1.00 0.00 H new ATOM 1042 N HIS B 23 4.547 12.057 -0.511 1.00 0.00 N ATOM 1043 CA HIS B 23 4.384 11.162 0.669 1.00 0.00 C ATOM 1044 C HIS B 23 4.656 9.697 0.289 1.00 0.00 C ATOM 1045 O HIS B 23 5.082 8.906 1.106 1.00 0.00 O ATOM 1046 CB HIS B 23 2.932 11.316 1.088 1.00 0.00 C ATOM 1047 CG HIS B 23 2.837 12.283 2.236 1.00 0.00 C ATOM 1048 ND1 HIS B 23 3.772 12.736 3.132 1.00 0.00 N flip ATOM 1049 CD2 HIS B 23 1.651 12.914 2.574 1.00 0.00 C flip ATOM 1050 CE1 HIS B 23 3.179 13.635 4.013 1.00 0.00 C flip ATOM 1051 NE2 HIS B 23 1.902 13.706 3.633 1.00 0.00 N flip ATOM 0 H HIS B 23 4.698 11.573 -1.396 1.00 0.00 H new ATOM 0 HA HIS B 23 5.082 11.423 1.465 1.00 0.00 H new ATOM 0 HB2 HIS B 23 2.337 11.674 0.248 1.00 0.00 H new ATOM 0 HB3 HIS B 23 2.523 10.349 1.380 1.00 0.00 H new ATOM 0 HD2 HIS B 23 0.699 12.793 2.078 1.00 0.00 H new ATOM 0 HE1 HIS B 23 3.651 14.162 4.829 1.00 0.00 H new ATOM 0 HE2 HIS B 23 1.201 14.290 4.090 1.00 0.00 H new ATOM 1059 N ASN B 24 4.377 9.326 -0.941 1.00 0.00 N ATOM 1060 CA ASN B 24 4.571 7.907 -1.390 1.00 0.00 C ATOM 1061 C ASN B 24 3.571 6.987 -0.681 1.00 0.00 C ATOM 1062 O ASN B 24 2.750 6.346 -1.307 1.00 0.00 O ATOM 1063 CB ASN B 24 6.006 7.514 -1.032 1.00 0.00 C ATOM 1064 CG ASN B 24 6.389 6.269 -1.832 1.00 0.00 C ATOM 1065 OD1 ASN B 24 5.921 5.185 -1.548 1.00 0.00 O ATOM 1066 ND2 ASN B 24 7.219 6.382 -2.831 1.00 0.00 N ATOM 0 H ASN B 24 4.019 9.954 -1.661 1.00 0.00 H new ATOM 0 HA ASN B 24 4.403 7.812 -2.463 1.00 0.00 H new ATOM 0 HB2 ASN B 24 6.689 8.333 -1.258 1.00 0.00 H new ATOM 0 HB3 ASN B 24 6.088 7.316 0.037 1.00 0.00 H new ATOM 0 HD21 ASN B 24 7.476 5.559 -3.376 1.00 0.00 H new ATOM 0 HD22 ASN B 24 7.611 7.293 -3.068 1.00 0.00 H new ATOM 1073 N ILE B 25 3.633 6.921 0.620 1.00 0.00 N ATOM 1074 CA ILE B 25 2.689 6.047 1.376 1.00 0.00 C ATOM 1075 C ILE B 25 1.236 6.442 1.082 1.00 0.00 C ATOM 1076 O ILE B 25 0.317 5.688 1.333 1.00 0.00 O ATOM 1077 CB ILE B 25 3.017 6.296 2.848 1.00 0.00 C ATOM 1078 CG1 ILE B 25 4.505 6.039 3.097 1.00 0.00 C ATOM 1079 CG2 ILE B 25 2.188 5.355 3.725 1.00 0.00 C ATOM 1080 CD1 ILE B 25 5.206 7.363 3.413 1.00 0.00 C ATOM 0 H ILE B 25 4.299 7.436 1.195 1.00 0.00 H new ATOM 0 HA ILE B 25 2.793 4.998 1.100 1.00 0.00 H new ATOM 0 HB ILE B 25 2.781 7.331 3.097 1.00 0.00 H new ATOM 0 HG12 ILE B 25 4.631 5.342 3.925 1.00 0.00 H new ATOM 0 HG13 ILE B 25 4.957 5.576 2.220 1.00 0.00 H new ATOM 0 HG21 ILE B 25 2.423 5.534 4.774 1.00 0.00 H new ATOM 0 HG22 ILE B 25 1.127 5.539 3.554 1.00 0.00 H new ATOM 0 HG23 ILE B 25 2.422 4.321 3.472 1.00 0.00 H new ATOM 0 HD11 ILE B 25 6.266 7.180 3.590 1.00 0.00 H new ATOM 0 HD12 ILE B 25 5.091 8.045 2.571 1.00 0.00 H new ATOM 0 HD13 ILE B 25 4.760 7.807 4.303 1.00 0.00 H new ATOM 1092 N GLN B 26 1.021 7.623 0.561 1.00 0.00 N ATOM 1093 CA GLN B 26 -0.372 8.074 0.259 1.00 0.00 C ATOM 1094 C GLN B 26 -1.159 6.980 -0.472 1.00 0.00 C ATOM 1095 O GLN B 26 -2.363 6.877 -0.337 1.00 0.00 O ATOM 1096 CB GLN B 26 -0.200 9.299 -0.640 1.00 0.00 C ATOM 1097 CG GLN B 26 -0.437 10.570 0.180 1.00 0.00 C ATOM 1098 CD GLN B 26 -0.871 11.704 -0.750 1.00 0.00 C ATOM 1099 OE1 GLN B 26 -1.946 12.251 -0.600 1.00 0.00 O ATOM 1100 NE2 GLN B 26 -0.076 12.083 -1.712 1.00 0.00 N ATOM 0 H GLN B 26 1.752 8.296 0.331 1.00 0.00 H new ATOM 0 HA GLN B 26 -0.931 8.299 1.167 1.00 0.00 H new ATOM 0 HB2 GLN B 26 0.802 9.311 -1.069 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -0.902 9.254 -1.473 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -1.203 10.391 0.935 1.00 0.00 H new ATOM 0 HG3 GLN B 26 0.474 10.849 0.710 1.00 0.00 H new ATOM 0 HE21 GLN B 26 0.826 11.624 -1.838 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -0.357 12.838 -2.338 1.00 0.00 H new ATOM 1109 N ALA B 27 -0.496 6.165 -1.245 1.00 0.00 N ATOM 1110 CA ALA B 27 -1.220 5.085 -1.980 1.00 0.00 C ATOM 1111 C ALA B 27 -2.047 4.244 -1.003 1.00 0.00 C ATOM 1112 O ALA B 27 -3.251 4.382 -0.912 1.00 0.00 O ATOM 1113 CB ALA B 27 -0.122 4.235 -2.620 1.00 0.00 C ATOM 0 H ALA B 27 0.512 6.198 -1.400 1.00 0.00 H new ATOM 0 HA ALA B 27 -1.912 5.484 -2.722 1.00 0.00 H new ATOM 0 HB1 ALA B 27 -0.575 3.417 -3.180 1.00 0.00 H new ATOM 0 HB2 ALA B 27 0.470 4.853 -3.295 1.00 0.00 H new ATOM 0 HB3 ALA B 27 0.523 3.828 -1.842 1.00 0.00 H new ATOM 1119 N LEU B 28 -1.408 3.373 -0.270 1.00 0.00 N ATOM 1120 CA LEU B 28 -2.154 2.523 0.703 1.00 0.00 C ATOM 1121 C LEU B 28 -2.906 3.397 1.712 1.00 0.00 C ATOM 1122 O LEU B 28 -3.828 2.952 2.366 1.00 0.00 O ATOM 1123 CB LEU B 28 -1.077 1.697 1.410 1.00 0.00 C ATOM 1124 CG LEU B 28 -0.023 2.631 2.009 1.00 0.00 C ATOM 1125 CD1 LEU B 28 0.098 2.369 3.510 1.00 0.00 C ATOM 1126 CD2 LEU B 28 1.330 2.378 1.340 1.00 0.00 C ATOM 0 H LEU B 28 -0.401 3.213 -0.303 1.00 0.00 H new ATOM 0 HA LEU B 28 -2.899 1.896 0.214 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -1.527 1.090 2.195 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -0.610 1.010 0.704 1.00 0.00 H new ATOM 0 HG LEU B 28 -0.323 3.665 1.841 1.00 0.00 H new ATOM 0 HD11 LEU B 28 0.849 3.034 3.936 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -0.863 2.552 3.990 1.00 0.00 H new ATOM 0 HD13 LEU B 28 0.395 1.333 3.676 1.00 0.00 H new ATOM 0 HD21 LEU B 28 2.078 3.045 1.769 1.00 0.00 H new ATOM 0 HD22 LEU B 28 1.629 1.343 1.505 1.00 0.00 H new ATOM 0 HD23 LEU B 28 1.247 2.566 0.270 1.00 0.00 H new ATOM 1138 N LEU B 29 -2.518 4.635 1.847 1.00 0.00 N ATOM 1139 CA LEU B 29 -3.211 5.533 2.817 1.00 0.00 C ATOM 1140 C LEU B 29 -4.500 6.091 2.210 1.00 0.00 C ATOM 1141 O LEU B 29 -5.437 6.414 2.913 1.00 0.00 O ATOM 1142 CB LEU B 29 -2.213 6.661 3.092 1.00 0.00 C ATOM 1143 CG LEU B 29 -1.580 6.461 4.472 1.00 0.00 C ATOM 1144 CD1 LEU B 29 -0.894 5.094 4.533 1.00 0.00 C ATOM 1145 CD2 LEU B 29 -0.542 7.559 4.718 1.00 0.00 C ATOM 0 H LEU B 29 -1.752 5.065 1.329 1.00 0.00 H new ATOM 0 HA LEU B 29 -3.499 5.008 3.728 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -1.440 6.671 2.324 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -2.718 7.626 3.049 1.00 0.00 H new ATOM 0 HG LEU B 29 -2.357 6.510 5.235 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -0.445 4.956 5.517 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -1.630 4.309 4.357 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -0.118 5.042 3.769 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -0.090 7.419 5.700 1.00 0.00 H new ATOM 0 HD22 LEU B 29 0.231 7.507 3.952 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -1.027 8.534 4.678 1.00 0.00 H new ATOM 1157 N LYS B 30 -4.559 6.208 0.912 1.00 0.00 N ATOM 1158 CA LYS B 30 -5.794 6.749 0.269 1.00 0.00 C ATOM 1159 C LYS B 30 -6.998 5.866 0.609 1.00 0.00 C ATOM 1160 O LYS B 30 -7.912 6.282 1.295 1.00 0.00 O ATOM 1161 CB LYS B 30 -5.509 6.713 -1.233 1.00 0.00 C ATOM 1162 CG LYS B 30 -6.192 7.903 -1.911 1.00 0.00 C ATOM 1163 CD LYS B 30 -7.097 7.401 -3.037 1.00 0.00 C ATOM 1164 CE LYS B 30 -7.076 8.402 -4.194 1.00 0.00 C ATOM 1165 NZ LYS B 30 -8.232 9.307 -3.943 1.00 0.00 N ATOM 0 H LYS B 30 -3.809 5.954 0.269 1.00 0.00 H new ATOM 0 HA LYS B 30 -6.031 7.755 0.614 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -4.434 6.747 -1.411 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -5.873 5.779 -1.661 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -6.778 8.463 -1.182 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -5.443 8.586 -2.310 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -6.759 6.424 -3.382 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -8.116 7.274 -2.670 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -6.138 8.957 -4.218 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -7.172 7.896 -5.155 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -8.283 10.022 -4.696 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -9.111 8.752 -3.932 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -8.110 9.780 -3.025 1.00 0.00 H new ATOM 1179 N ASP B 31 -7.009 4.651 0.135 1.00 0.00 N ATOM 1180 CA ASP B 31 -8.157 3.744 0.429 1.00 0.00 C ATOM 1181 C ASP B 31 -8.238 3.464 1.933 1.00 0.00 C ATOM 1182 O ASP B 31 -9.306 3.290 2.485 1.00 0.00 O ATOM 1183 CB ASP B 31 -7.854 2.457 -0.338 1.00 0.00 C ATOM 1184 CG ASP B 31 -8.147 2.668 -1.825 1.00 0.00 C ATOM 1185 OD1 ASP B 31 -8.138 3.809 -2.254 1.00 0.00 O ATOM 1186 OD2 ASP B 31 -8.374 1.683 -2.508 1.00 0.00 O ATOM 0 H ASP B 31 -6.273 4.246 -0.443 1.00 0.00 H new ATOM 0 HA ASP B 31 -9.112 4.179 0.134 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -6.810 2.175 -0.199 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -8.460 1.638 0.050 1.00 0.00 H new ATOM 1191 N SER B 32 -7.117 3.419 2.598 1.00 0.00 N ATOM 1192 CA SER B 32 -7.128 3.147 4.065 1.00 0.00 C ATOM 1193 C SER B 32 -7.976 4.193 4.796 1.00 0.00 C ATOM 1194 O SER B 32 -8.892 3.863 5.523 1.00 0.00 O ATOM 1195 CB SER B 32 -5.666 3.247 4.495 1.00 0.00 C ATOM 1196 OG SER B 32 -5.603 3.475 5.897 1.00 0.00 O ATOM 0 H SER B 32 -6.193 3.559 2.190 1.00 0.00 H new ATOM 0 HA SER B 32 -7.558 2.173 4.300 1.00 0.00 H new ATOM 0 HB2 SER B 32 -5.136 2.329 4.240 1.00 0.00 H new ATOM 0 HB3 SER B 32 -5.172 4.059 3.960 1.00 0.00 H new ATOM 0 HG SER B 32 -4.666 3.538 6.176 1.00 0.00 H new ATOM 1202 N ILE B 33 -7.679 5.450 4.609 1.00 0.00 N ATOM 1203 CA ILE B 33 -8.468 6.512 5.296 1.00 0.00 C ATOM 1204 C ILE B 33 -9.966 6.312 5.035 1.00 0.00 C ATOM 1205 O ILE B 33 -10.770 6.305 5.947 1.00 0.00 O ATOM 1206 CB ILE B 33 -7.982 7.827 4.679 1.00 0.00 C ATOM 1207 CG1 ILE B 33 -6.515 8.052 5.055 1.00 0.00 C ATOM 1208 CG2 ILE B 33 -8.826 8.989 5.209 1.00 0.00 C ATOM 1209 CD1 ILE B 33 -5.899 9.084 4.108 1.00 0.00 C ATOM 0 H ILE B 33 -6.925 5.787 4.011 1.00 0.00 H new ATOM 0 HA ILE B 33 -8.332 6.496 6.377 1.00 0.00 H new ATOM 0 HB ILE B 33 -8.080 7.775 3.595 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -6.442 8.399 6.086 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -5.965 7.113 4.995 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -8.477 9.923 4.768 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -9.871 8.830 4.944 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -8.731 9.042 6.294 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -4.855 9.245 4.375 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -5.959 8.719 3.083 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -6.444 10.025 4.191 1.00 0.00 H new ATOM 1221 N VAL B 34 -10.346 6.149 3.797 1.00 0.00 N ATOM 1222 CA VAL B 34 -11.790 5.949 3.480 1.00 0.00 C ATOM 1223 C VAL B 34 -12.322 4.689 4.172 1.00 0.00 C ATOM 1224 O VAL B 34 -13.516 4.498 4.297 1.00 0.00 O ATOM 1225 CB VAL B 34 -11.840 5.784 1.960 1.00 0.00 C ATOM 1226 CG1 VAL B 34 -13.289 5.570 1.518 1.00 0.00 C ATOM 1227 CG2 VAL B 34 -11.286 7.045 1.292 1.00 0.00 C ATOM 0 H VAL B 34 -9.720 6.146 2.992 1.00 0.00 H new ATOM 0 HA VAL B 34 -12.405 6.781 3.825 1.00 0.00 H new ATOM 0 HB VAL B 34 -11.239 4.923 1.668 1.00 0.00 H new ATOM 0 HG11 VAL B 34 -13.325 5.452 0.435 1.00 0.00 H new ATOM 0 HG12 VAL B 34 -13.686 4.673 1.994 1.00 0.00 H new ATOM 0 HG13 VAL B 34 -13.889 6.432 1.810 1.00 0.00 H new ATOM 0 HG21 VAL B 34 -11.321 6.928 0.209 1.00 0.00 H new ATOM 0 HG22 VAL B 34 -11.888 7.906 1.584 1.00 0.00 H new ATOM 0 HG23 VAL B 34 -10.254 7.200 1.607 1.00 0.00 H new ATOM 1237 N GLN B 35 -11.449 3.825 4.619 1.00 0.00 N ATOM 1238 CA GLN B 35 -11.915 2.579 5.293 1.00 0.00 C ATOM 1239 C GLN B 35 -11.746 2.695 6.811 1.00 0.00 C ATOM 1240 O GLN B 35 -12.554 2.201 7.572 1.00 0.00 O ATOM 1241 CB GLN B 35 -11.022 1.471 4.738 1.00 0.00 C ATOM 1242 CG GLN B 35 -11.891 0.344 4.180 1.00 0.00 C ATOM 1243 CD GLN B 35 -11.775 0.317 2.654 1.00 0.00 C ATOM 1244 OE1 GLN B 35 -11.269 -0.632 2.089 1.00 0.00 O ATOM 1245 NE2 GLN B 35 -12.226 1.325 1.959 1.00 0.00 N ATOM 0 H GLN B 35 -10.437 3.928 4.547 1.00 0.00 H new ATOM 0 HA GLN B 35 -12.971 2.384 5.109 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -10.377 1.868 3.955 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -10.371 1.087 5.523 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -11.576 -0.613 4.596 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -12.930 0.492 4.474 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -12.651 2.122 2.433 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -12.154 1.316 0.942 1.00 0.00 H new ATOM 1254 N LEU B 36 -10.703 3.339 7.261 1.00 0.00 N ATOM 1255 CA LEU B 36 -10.493 3.474 8.731 1.00 0.00 C ATOM 1256 C LEU B 36 -11.598 4.333 9.356 1.00 0.00 C ATOM 1257 O LEU B 36 -11.772 4.353 10.559 1.00 0.00 O ATOM 1258 CB LEU B 36 -9.130 4.151 8.885 1.00 0.00 C ATOM 1259 CG LEU B 36 -8.037 3.088 9.036 1.00 0.00 C ATOM 1260 CD1 LEU B 36 -8.317 2.234 10.275 1.00 0.00 C ATOM 1261 CD2 LEU B 36 -8.021 2.192 7.796 1.00 0.00 C ATOM 0 H LEU B 36 -9.990 3.776 6.677 1.00 0.00 H new ATOM 0 HA LEU B 36 -10.524 2.509 9.236 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -8.924 4.777 8.016 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -9.136 4.806 9.756 1.00 0.00 H new ATOM 0 HG LEU B 36 -7.070 3.579 9.145 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -7.538 1.479 10.380 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -8.328 2.870 11.160 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -9.285 1.744 10.168 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -7.243 1.436 7.904 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -8.989 1.704 7.687 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -7.819 2.797 6.912 1.00 0.00 H new ATOM 1273 N CYS B 37 -12.350 5.042 8.554 1.00 0.00 N ATOM 1274 CA CYS B 37 -13.443 5.891 9.117 1.00 0.00 C ATOM 1275 C CYS B 37 -14.423 5.025 9.920 1.00 0.00 C ATOM 1276 O CYS B 37 -14.516 5.136 11.127 1.00 0.00 O ATOM 1277 CB CYS B 37 -14.135 6.513 7.902 1.00 0.00 C ATOM 1278 SG CYS B 37 -14.937 8.061 8.393 1.00 0.00 S ATOM 0 H CYS B 37 -12.256 5.070 7.539 1.00 0.00 H new ATOM 0 HA CYS B 37 -13.065 6.654 9.798 1.00 0.00 H new ATOM 0 HB2 CYS B 37 -13.407 6.702 7.113 1.00 0.00 H new ATOM 0 HB3 CYS B 37 -14.873 5.821 7.496 1.00 0.00 H new ATOM 1283 N THR B 38 -15.145 4.160 9.262 1.00 0.00 N ATOM 1284 CA THR B 38 -16.109 3.286 9.992 1.00 0.00 C ATOM 1285 C THR B 38 -15.429 1.975 10.414 1.00 0.00 C ATOM 1286 O THR B 38 -16.065 1.072 10.921 1.00 0.00 O ATOM 1287 CB THR B 38 -17.224 3.005 8.985 1.00 0.00 C ATOM 1288 OG1 THR B 38 -17.807 4.234 8.573 1.00 0.00 O ATOM 1289 CG2 THR B 38 -18.291 2.123 9.635 1.00 0.00 C ATOM 0 H THR B 38 -15.110 4.020 8.252 1.00 0.00 H new ATOM 0 HA THR B 38 -16.483 3.756 10.901 1.00 0.00 H new ATOM 0 HB THR B 38 -16.811 2.490 8.118 1.00 0.00 H new ATOM 0 HG1 THR B 38 -18.521 4.057 7.926 1.00 0.00 H new ATOM 0 HG21 THR B 38 -19.086 1.923 8.916 1.00 0.00 H new ATOM 0 HG22 THR B 38 -17.842 1.181 9.950 1.00 0.00 H new ATOM 0 HG23 THR B 38 -18.707 2.635 10.503 1.00 0.00 H new ATOM 1297 N ALA B 39 -14.146 1.862 10.199 1.00 0.00 N ATOM 1298 CA ALA B 39 -13.428 0.609 10.574 1.00 0.00 C ATOM 1299 C ALA B 39 -13.723 0.221 12.028 1.00 0.00 C ATOM 1300 O ALA B 39 -14.185 -0.869 12.303 1.00 0.00 O ATOM 1301 CB ALA B 39 -11.947 0.945 10.400 1.00 0.00 C ATOM 0 H ALA B 39 -13.562 2.585 9.779 1.00 0.00 H new ATOM 0 HA ALA B 39 -13.738 -0.238 9.962 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -11.344 0.074 10.656 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -11.757 1.226 9.364 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -11.683 1.775 11.055 1.00 0.00 H new ATOM 1307 N ARG B 40 -13.446 1.092 12.960 1.00 0.00 N ATOM 1308 CA ARG B 40 -13.695 0.757 14.394 1.00 0.00 C ATOM 1309 C ARG B 40 -13.101 -0.622 14.736 1.00 0.00 C ATOM 1310 O ARG B 40 -13.774 -1.457 15.306 1.00 0.00 O ATOM 1311 CB ARG B 40 -15.216 0.732 14.537 1.00 0.00 C ATOM 1312 CG ARG B 40 -15.768 2.148 14.376 1.00 0.00 C ATOM 1313 CD ARG B 40 -16.974 2.335 15.301 1.00 0.00 C ATOM 1314 NE ARG B 40 -16.637 3.519 16.138 1.00 0.00 N ATOM 1315 CZ ARG B 40 -17.056 3.585 17.372 1.00 0.00 C ATOM 1316 NH1 ARG B 40 -18.309 3.348 17.648 1.00 0.00 N ATOM 1317 NH2 ARG B 40 -16.222 3.887 18.329 1.00 0.00 N ATOM 0 H ARG B 40 -13.058 2.020 12.792 1.00 0.00 H new ATOM 0 HA ARG B 40 -13.231 1.477 15.069 1.00 0.00 H new ATOM 0 HB2 ARG B 40 -15.651 0.073 13.786 1.00 0.00 H new ATOM 0 HB3 ARG B 40 -15.493 0.331 15.512 1.00 0.00 H new ATOM 0 HG2 ARG B 40 -14.996 2.880 14.615 1.00 0.00 H new ATOM 0 HG3 ARG B 40 -16.061 2.320 13.340 1.00 0.00 H new ATOM 0 HD2 ARG B 40 -17.887 2.502 14.730 1.00 0.00 H new ATOM 0 HD3 ARG B 40 -17.140 1.451 15.916 1.00 0.00 H new ATOM 0 HE ARG B 40 -16.079 4.278 15.747 1.00 0.00 H new ATOM 0 HH11 ARG B 40 -18.960 3.111 16.899 1.00 0.00 H new ATOM 0 HH12 ARG B 40 -18.637 3.399 18.612 1.00 0.00 H new ATOM 0 HH21 ARG B 40 -15.242 4.072 18.112 1.00 0.00 H new ATOM 0 HH22 ARG B 40 -16.550 3.939 19.294 1.00 0.00 H new ATOM 1331 N PRO B 41 -11.855 -0.822 14.367 1.00 0.00 N ATOM 1332 CA PRO B 41 -11.184 -2.117 14.637 1.00 0.00 C ATOM 1333 C PRO B 41 -10.778 -2.223 16.108 1.00 0.00 C ATOM 1334 O PRO B 41 -10.019 -1.417 16.611 1.00 0.00 O ATOM 1335 CB PRO B 41 -9.944 -2.070 13.748 1.00 0.00 C ATOM 1336 CG PRO B 41 -9.657 -0.616 13.549 1.00 0.00 C ATOM 1337 CD PRO B 41 -10.965 0.122 13.676 1.00 0.00 C ATOM 0 HA PRO B 41 -11.826 -2.974 14.434 1.00 0.00 H new ATOM 0 HB2 PRO B 41 -9.102 -2.576 14.220 1.00 0.00 H new ATOM 0 HB3 PRO B 41 -10.123 -2.570 12.796 1.00 0.00 H new ATOM 0 HG2 PRO B 41 -8.942 -0.261 14.291 1.00 0.00 H new ATOM 0 HG3 PRO B 41 -9.212 -0.443 12.569 1.00 0.00 H new ATOM 0 HD2 PRO B 41 -10.847 1.044 14.244 1.00 0.00 H new ATOM 0 HD3 PRO B 41 -11.361 0.398 12.699 1.00 0.00 H new ATOM 1345 N GLU B 42 -11.260 -3.219 16.802 1.00 0.00 N ATOM 1346 CA GLU B 42 -10.878 -3.377 18.235 1.00 0.00 C ATOM 1347 C GLU B 42 -9.352 -3.432 18.348 1.00 0.00 C ATOM 1348 O GLU B 42 -8.773 -3.066 19.352 1.00 0.00 O ATOM 1349 CB GLU B 42 -11.500 -4.707 18.668 1.00 0.00 C ATOM 1350 CG GLU B 42 -10.908 -5.846 17.836 1.00 0.00 C ATOM 1351 CD GLU B 42 -11.837 -7.060 17.893 1.00 0.00 C ATOM 1352 OE1 GLU B 42 -13.000 -6.907 17.558 1.00 0.00 O ATOM 1353 OE2 GLU B 42 -11.369 -8.122 18.270 1.00 0.00 O ATOM 0 H GLU B 42 -11.899 -3.927 16.441 1.00 0.00 H new ATOM 0 HA GLU B 42 -11.223 -2.552 18.859 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -11.311 -4.881 19.727 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -12.582 -4.673 18.539 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -10.776 -5.525 16.803 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -9.921 -6.112 18.215 1.00 0.00 H new ATOM 1360 N ARG B 43 -8.702 -3.884 17.311 1.00 0.00 N ATOM 1361 CA ARG B 43 -7.215 -3.965 17.324 1.00 0.00 C ATOM 1362 C ARG B 43 -6.671 -3.592 15.939 1.00 0.00 C ATOM 1363 O ARG B 43 -6.552 -4.439 15.075 1.00 0.00 O ATOM 1364 CB ARG B 43 -6.899 -5.426 17.652 1.00 0.00 C ATOM 1365 CG ARG B 43 -5.649 -5.496 18.532 1.00 0.00 C ATOM 1366 CD ARG B 43 -5.108 -6.928 18.534 1.00 0.00 C ATOM 1367 NE ARG B 43 -3.902 -6.883 19.408 1.00 0.00 N ATOM 1368 CZ ARG B 43 -3.468 -7.973 19.980 1.00 0.00 C ATOM 1369 NH1 ARG B 43 -3.388 -9.081 19.295 1.00 0.00 N ATOM 1370 NH2 ARG B 43 -3.118 -7.955 21.236 1.00 0.00 N ATOM 0 H ARG B 43 -9.142 -4.203 16.448 1.00 0.00 H new ATOM 0 HA ARG B 43 -6.762 -3.285 18.046 1.00 0.00 H new ATOM 0 HB2 ARG B 43 -7.744 -5.885 18.166 1.00 0.00 H new ATOM 0 HB3 ARG B 43 -6.741 -5.990 16.733 1.00 0.00 H new ATOM 0 HG2 ARG B 43 -4.889 -4.809 18.159 1.00 0.00 H new ATOM 0 HG3 ARG B 43 -5.889 -5.185 19.549 1.00 0.00 H new ATOM 0 HD2 ARG B 43 -5.848 -7.629 18.919 1.00 0.00 H new ATOM 0 HD3 ARG B 43 -4.853 -7.255 17.526 1.00 0.00 H new ATOM 0 HE ARG B 43 -3.415 -6.000 19.559 1.00 0.00 H new ATOM 0 HH11 ARG B 43 -3.665 -9.095 18.313 1.00 0.00 H new ATOM 0 HH12 ARG B 43 -3.049 -9.933 19.741 1.00 0.00 H new ATOM 0 HH21 ARG B 43 -3.183 -7.089 21.771 1.00 0.00 H new ATOM 0 HH22 ARG B 43 -2.779 -8.807 21.683 1.00 0.00 H new ATOM 1384 N PRO B 44 -6.368 -2.328 15.765 1.00 0.00 N ATOM 1385 CA PRO B 44 -5.846 -1.848 14.460 1.00 0.00 C ATOM 1386 C PRO B 44 -4.425 -2.364 14.224 1.00 0.00 C ATOM 1387 O PRO B 44 -3.949 -2.405 13.106 1.00 0.00 O ATOM 1388 CB PRO B 44 -5.863 -0.328 14.604 1.00 0.00 C ATOM 1389 CG PRO B 44 -5.791 -0.080 16.074 1.00 0.00 C ATOM 1390 CD PRO B 44 -6.474 -1.242 16.748 1.00 0.00 C ATOM 0 HA PRO B 44 -6.434 -2.196 13.610 1.00 0.00 H new ATOM 0 HB2 PRO B 44 -5.020 0.127 14.085 1.00 0.00 H new ATOM 0 HB3 PRO B 44 -6.770 0.099 14.175 1.00 0.00 H new ATOM 0 HG2 PRO B 44 -4.755 0.002 16.402 1.00 0.00 H new ATOM 0 HG3 PRO B 44 -6.282 0.859 16.332 1.00 0.00 H new ATOM 0 HD2 PRO B 44 -5.986 -1.503 17.687 1.00 0.00 H new ATOM 0 HD3 PRO B 44 -7.514 -1.014 16.982 1.00 0.00 H new ATOM 1398 N MET B 45 -3.745 -2.765 15.264 1.00 0.00 N ATOM 1399 CA MET B 45 -2.356 -3.284 15.092 1.00 0.00 C ATOM 1400 C MET B 45 -2.330 -4.360 14.001 1.00 0.00 C ATOM 1401 O MET B 45 -1.554 -4.297 13.071 1.00 0.00 O ATOM 1402 CB MET B 45 -1.988 -3.885 16.449 1.00 0.00 C ATOM 1403 CG MET B 45 -1.131 -2.890 17.233 1.00 0.00 C ATOM 1404 SD MET B 45 -2.206 -1.720 18.099 1.00 0.00 S ATOM 1405 CE MET B 45 -0.896 -0.724 18.852 1.00 0.00 C ATOM 0 H MET B 45 -4.090 -2.756 16.224 1.00 0.00 H new ATOM 0 HA MET B 45 -1.655 -2.506 14.789 1.00 0.00 H new ATOM 0 HB2 MET B 45 -2.892 -4.124 17.010 1.00 0.00 H new ATOM 0 HB3 MET B 45 -1.444 -4.819 16.309 1.00 0.00 H new ATOM 0 HG2 MET B 45 -0.502 -3.420 17.948 1.00 0.00 H new ATOM 0 HG3 MET B 45 -0.464 -2.356 16.556 1.00 0.00 H new ATOM 0 HE1 MET B 45 -1.342 0.075 19.445 1.00 0.00 H new ATOM 0 HE2 MET B 45 -0.283 -1.355 19.495 1.00 0.00 H new ATOM 0 HE3 MET B 45 -0.273 -0.291 18.070 1.00 0.00 H new ATOM 1415 N ALA B 46 -3.180 -5.343 14.108 1.00 0.00 N ATOM 1416 CA ALA B 46 -3.210 -6.418 13.075 1.00 0.00 C ATOM 1417 C ALA B 46 -4.191 -6.060 11.948 1.00 0.00 C ATOM 1418 O ALA B 46 -4.434 -6.847 11.056 1.00 0.00 O ATOM 1419 CB ALA B 46 -3.683 -7.666 13.821 1.00 0.00 C ATOM 0 H ALA B 46 -3.855 -5.449 14.865 1.00 0.00 H new ATOM 0 HA ALA B 46 -2.237 -6.562 12.606 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -3.733 -8.507 13.129 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -2.983 -7.897 14.624 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -4.671 -7.485 14.243 1.00 0.00 H new ATOM 1425 N PHE B 47 -4.757 -4.881 11.980 1.00 0.00 N ATOM 1426 CA PHE B 47 -5.715 -4.489 10.905 1.00 0.00 C ATOM 1427 C PHE B 47 -4.951 -4.089 9.641 1.00 0.00 C ATOM 1428 O PHE B 47 -5.338 -4.426 8.540 1.00 0.00 O ATOM 1429 CB PHE B 47 -6.478 -3.290 11.470 1.00 0.00 C ATOM 1430 CG PHE B 47 -7.448 -2.777 10.432 1.00 0.00 C ATOM 1431 CD1 PHE B 47 -7.015 -1.845 9.462 1.00 0.00 C ATOM 1432 CD2 PHE B 47 -8.785 -3.228 10.431 1.00 0.00 C ATOM 1433 CE1 PHE B 47 -7.921 -1.365 8.490 1.00 0.00 C ATOM 1434 CE2 PHE B 47 -9.692 -2.747 9.459 1.00 0.00 C ATOM 1435 CZ PHE B 47 -9.258 -1.817 8.488 1.00 0.00 C ATOM 0 H PHE B 47 -4.598 -4.177 12.700 1.00 0.00 H new ATOM 0 HA PHE B 47 -6.384 -5.304 10.630 1.00 0.00 H new ATOM 0 HB2 PHE B 47 -7.015 -3.580 12.373 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -5.780 -2.502 11.753 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -5.992 -1.500 9.464 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -9.115 -3.940 11.172 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -7.591 -0.652 7.749 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -10.716 -3.090 9.459 1.00 0.00 H new ATOM 0 HZ PHE B 47 -9.950 -1.452 7.744 1.00 0.00 H new ATOM 1445 N LEU B 48 -3.870 -3.372 9.790 1.00 0.00 N ATOM 1446 CA LEU B 48 -3.085 -2.954 8.594 1.00 0.00 C ATOM 1447 C LEU B 48 -2.665 -4.182 7.782 1.00 0.00 C ATOM 1448 O LEU B 48 -2.908 -4.266 6.594 1.00 0.00 O ATOM 1449 CB LEU B 48 -1.854 -2.236 9.153 1.00 0.00 C ATOM 1450 CG LEU B 48 -0.977 -1.745 7.998 1.00 0.00 C ATOM 1451 CD1 LEU B 48 -1.787 -0.806 7.100 1.00 0.00 C ATOM 1452 CD2 LEU B 48 0.233 -0.997 8.562 1.00 0.00 C ATOM 0 H LEU B 48 -3.497 -3.058 10.686 1.00 0.00 H new ATOM 0 HA LEU B 48 -3.662 -2.313 7.928 1.00 0.00 H new ATOM 0 HB2 LEU B 48 -2.162 -1.394 9.773 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -1.286 -2.911 9.793 1.00 0.00 H new ATOM 0 HG LEU B 48 -0.637 -2.599 7.412 1.00 0.00 H new ATOM 0 HD11 LEU B 48 -1.161 -0.458 6.279 1.00 0.00 H new ATOM 0 HD12 LEU B 48 -2.648 -1.340 6.698 1.00 0.00 H new ATOM 0 HD13 LEU B 48 -2.130 0.049 7.683 1.00 0.00 H new ATOM 0 HD21 LEU B 48 0.859 -0.646 7.741 1.00 0.00 H new ATOM 0 HD22 LEU B 48 -0.108 -0.144 9.149 1.00 0.00 H new ATOM 0 HD23 LEU B 48 0.811 -1.667 9.198 1.00 0.00 H new ATOM 1464 N ARG B 49 -2.036 -5.135 8.414 1.00 0.00 N ATOM 1465 CA ARG B 49 -1.601 -6.354 7.675 1.00 0.00 C ATOM 1466 C ARG B 49 -2.804 -7.029 7.010 1.00 0.00 C ATOM 1467 O ARG B 49 -2.724 -7.493 5.889 1.00 0.00 O ATOM 1468 CB ARG B 49 -0.984 -7.271 8.736 1.00 0.00 C ATOM 1469 CG ARG B 49 -2.027 -7.603 9.807 1.00 0.00 C ATOM 1470 CD ARG B 49 -1.371 -8.436 10.912 1.00 0.00 C ATOM 1471 NE ARG B 49 -1.219 -9.796 10.323 1.00 0.00 N ATOM 1472 CZ ARG B 49 -1.597 -10.845 10.999 1.00 0.00 C ATOM 1473 NH1 ARG B 49 -2.863 -11.144 11.086 1.00 0.00 N ATOM 1474 NH2 ARG B 49 -0.707 -11.596 11.591 1.00 0.00 N ATOM 0 H ARG B 49 -1.805 -5.122 9.407 1.00 0.00 H new ATOM 0 HA ARG B 49 -0.891 -6.121 6.881 1.00 0.00 H new ATOM 0 HB2 ARG B 49 -0.623 -8.188 8.271 1.00 0.00 H new ATOM 0 HB3 ARG B 49 -0.122 -6.785 9.193 1.00 0.00 H new ATOM 0 HG2 ARG B 49 -2.441 -6.685 10.225 1.00 0.00 H new ATOM 0 HG3 ARG B 49 -2.857 -8.154 9.364 1.00 0.00 H new ATOM 0 HD2 ARG B 49 -0.406 -8.020 11.201 1.00 0.00 H new ATOM 0 HD3 ARG B 49 -1.989 -8.460 11.809 1.00 0.00 H new ATOM 0 HE ARG B 49 -0.819 -9.907 9.391 1.00 0.00 H new ATOM 0 HH11 ARG B 49 -3.558 -10.557 10.625 1.00 0.00 H new ATOM 0 HH12 ARG B 49 -3.158 -11.965 11.615 1.00 0.00 H new ATOM 0 HH21 ARG B 49 0.284 -11.362 11.524 1.00 0.00 H new ATOM 0 HH22 ARG B 49 -1.003 -12.417 12.120 1.00 0.00 H new ATOM 1488 N GLU B 50 -3.916 -7.085 7.687 1.00 0.00 N ATOM 1489 CA GLU B 50 -5.120 -7.729 7.090 1.00 0.00 C ATOM 1490 C GLU B 50 -5.839 -6.755 6.149 1.00 0.00 C ATOM 1491 O GLU B 50 -6.655 -7.149 5.340 1.00 0.00 O ATOM 1492 CB GLU B 50 -6.012 -8.078 8.281 1.00 0.00 C ATOM 1493 CG GLU B 50 -6.606 -9.474 8.082 1.00 0.00 C ATOM 1494 CD GLU B 50 -5.571 -10.532 8.472 1.00 0.00 C ATOM 1495 OE1 GLU B 50 -4.683 -10.206 9.242 1.00 0.00 O ATOM 1496 OE2 GLU B 50 -5.685 -11.647 7.994 1.00 0.00 O ATOM 0 H GLU B 50 -4.044 -6.713 8.628 1.00 0.00 H new ATOM 0 HA GLU B 50 -4.864 -8.607 6.497 1.00 0.00 H new ATOM 0 HB2 GLU B 50 -5.433 -8.046 9.204 1.00 0.00 H new ATOM 0 HB3 GLU B 50 -6.810 -7.342 8.379 1.00 0.00 H new ATOM 0 HG2 GLU B 50 -7.504 -9.588 8.689 1.00 0.00 H new ATOM 0 HG3 GLU B 50 -6.905 -9.609 7.042 1.00 0.00 H new ATOM 1503 N TYR B 51 -5.547 -5.486 6.251 1.00 0.00 N ATOM 1504 CA TYR B 51 -6.217 -4.494 5.362 1.00 0.00 C ATOM 1505 C TYR B 51 -5.793 -4.713 3.904 1.00 0.00 C ATOM 1506 O TYR B 51 -6.575 -5.139 3.078 1.00 0.00 O ATOM 1507 CB TYR B 51 -5.748 -3.126 5.874 1.00 0.00 C ATOM 1508 CG TYR B 51 -6.134 -2.045 4.889 1.00 0.00 C ATOM 1509 CD1 TYR B 51 -7.416 -1.455 4.944 1.00 0.00 C ATOM 1510 CD2 TYR B 51 -5.206 -1.630 3.906 1.00 0.00 C ATOM 1511 CE1 TYR B 51 -7.773 -0.452 4.016 1.00 0.00 C ATOM 1512 CE2 TYR B 51 -5.561 -0.625 2.979 1.00 0.00 C ATOM 1513 CZ TYR B 51 -6.844 -0.037 3.033 1.00 0.00 C ATOM 1514 OH TYR B 51 -7.193 0.942 2.125 1.00 0.00 O ATOM 0 H TYR B 51 -4.875 -5.094 6.910 1.00 0.00 H new ATOM 0 HA TYR B 51 -7.303 -4.582 5.384 1.00 0.00 H new ATOM 0 HB2 TYR B 51 -6.195 -2.920 6.847 1.00 0.00 H new ATOM 0 HB3 TYR B 51 -4.667 -3.132 6.015 1.00 0.00 H new ATOM 0 HD1 TYR B 51 -8.124 -1.771 5.696 1.00 0.00 H new ATOM 0 HD2 TYR B 51 -4.226 -2.081 3.864 1.00 0.00 H new ATOM 0 HE1 TYR B 51 -8.754 -0.002 4.057 1.00 0.00 H new ATOM 0 HE2 TYR B 51 -4.852 -0.306 2.229 1.00 0.00 H new ATOM 0 HH TYR B 51 -6.385 1.290 1.693 1.00 0.00 H new ATOM 1524 N PHE B 52 -4.564 -4.413 3.578 1.00 0.00 N ATOM 1525 CA PHE B 52 -4.108 -4.594 2.169 1.00 0.00 C ATOM 1526 C PHE B 52 -4.043 -6.082 1.812 1.00 0.00 C ATOM 1527 O PHE B 52 -4.333 -6.472 0.698 1.00 0.00 O ATOM 1528 CB PHE B 52 -2.714 -3.964 2.111 1.00 0.00 C ATOM 1529 CG PHE B 52 -2.578 -3.171 0.833 1.00 0.00 C ATOM 1530 CD1 PHE B 52 -2.177 -3.815 -0.360 1.00 0.00 C ATOM 1531 CD2 PHE B 52 -2.858 -1.786 0.827 1.00 0.00 C ATOM 1532 CE1 PHE B 52 -2.051 -3.073 -1.555 1.00 0.00 C ATOM 1533 CE2 PHE B 52 -2.733 -1.045 -0.368 1.00 0.00 C ATOM 1534 CZ PHE B 52 -2.329 -1.687 -1.558 1.00 0.00 C ATOM 0 H PHE B 52 -3.860 -4.053 4.222 1.00 0.00 H new ATOM 0 HA PHE B 52 -4.792 -4.131 1.458 1.00 0.00 H new ATOM 0 HB2 PHE B 52 -2.559 -3.315 2.973 1.00 0.00 H new ATOM 0 HB3 PHE B 52 -1.950 -4.740 2.154 1.00 0.00 H new ATOM 0 HD1 PHE B 52 -1.967 -4.874 -0.357 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -3.168 -1.294 1.737 1.00 0.00 H new ATOM 0 HE1 PHE B 52 -1.742 -3.564 -2.466 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -2.947 0.014 -0.372 1.00 0.00 H new ATOM 0 HZ PHE B 52 -2.232 -1.119 -2.472 1.00 0.00 H new ATOM 1544 N GLU B 53 -3.669 -6.918 2.741 1.00 0.00 N ATOM 1545 CA GLU B 53 -3.593 -8.377 2.440 1.00 0.00 C ATOM 1546 C GLU B 53 -4.955 -8.887 1.959 1.00 0.00 C ATOM 1547 O GLU B 53 -5.069 -9.494 0.913 1.00 0.00 O ATOM 1548 CB GLU B 53 -3.210 -9.040 3.763 1.00 0.00 C ATOM 1549 CG GLU B 53 -3.190 -10.559 3.584 1.00 0.00 C ATOM 1550 CD GLU B 53 -4.287 -11.191 4.444 1.00 0.00 C ATOM 1551 OE1 GLU B 53 -4.137 -11.189 5.656 1.00 0.00 O ATOM 1552 OE2 GLU B 53 -5.259 -11.661 3.879 1.00 0.00 O ATOM 0 H GLU B 53 -3.413 -6.656 3.693 1.00 0.00 H new ATOM 0 HA GLU B 53 -2.872 -8.598 1.653 1.00 0.00 H new ATOM 0 HB2 GLU B 53 -2.231 -8.688 4.088 1.00 0.00 H new ATOM 0 HB3 GLU B 53 -3.922 -8.764 4.540 1.00 0.00 H new ATOM 0 HG2 GLU B 53 -3.344 -10.814 2.535 1.00 0.00 H new ATOM 0 HG3 GLU B 53 -2.216 -10.956 3.869 1.00 0.00 H new ATOM 1559 N LYS B 54 -5.989 -8.643 2.717 1.00 0.00 N ATOM 1560 CA LYS B 54 -7.344 -9.112 2.308 1.00 0.00 C ATOM 1561 C LYS B 54 -7.773 -8.420 1.012 1.00 0.00 C ATOM 1562 O LYS B 54 -8.583 -8.931 0.264 1.00 0.00 O ATOM 1563 CB LYS B 54 -8.264 -8.712 3.461 1.00 0.00 C ATOM 1564 CG LYS B 54 -9.493 -9.623 3.473 1.00 0.00 C ATOM 1565 CD LYS B 54 -9.457 -10.511 4.718 1.00 0.00 C ATOM 1566 CE LYS B 54 -10.210 -11.814 4.438 1.00 0.00 C ATOM 1567 NZ LYS B 54 -11.650 -11.431 4.442 1.00 0.00 N ATOM 0 H LYS B 54 -5.954 -8.139 3.603 1.00 0.00 H new ATOM 0 HA LYS B 54 -7.372 -10.185 2.118 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -7.731 -8.790 4.409 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -8.570 -7.672 3.352 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -10.403 -9.024 3.467 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -9.511 -10.239 2.574 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -8.425 -10.727 4.994 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -9.910 -9.991 5.562 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -9.917 -12.242 3.479 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -9.998 -12.565 5.200 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -12.162 -12.012 5.137 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -11.741 -10.427 4.696 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -12.053 -11.587 3.496 1.00 0.00 H new ATOM 1581 N LEU B 55 -7.240 -7.260 0.743 1.00 0.00 N ATOM 1582 CA LEU B 55 -7.620 -6.536 -0.502 1.00 0.00 C ATOM 1583 C LEU B 55 -7.005 -7.228 -1.723 1.00 0.00 C ATOM 1584 O LEU B 55 -7.469 -7.070 -2.836 1.00 0.00 O ATOM 1585 CB LEU B 55 -7.042 -5.130 -0.337 1.00 0.00 C ATOM 1586 CG LEU B 55 -8.119 -4.095 -0.662 1.00 0.00 C ATOM 1587 CD1 LEU B 55 -7.642 -2.707 -0.229 1.00 0.00 C ATOM 1588 CD2 LEU B 55 -8.388 -4.093 -2.170 1.00 0.00 C ATOM 0 H LEU B 55 -6.558 -6.782 1.332 1.00 0.00 H new ATOM 0 HA LEU B 55 -8.699 -6.517 -0.655 1.00 0.00 H new ATOM 0 HB2 LEU B 55 -6.684 -4.990 0.683 1.00 0.00 H new ATOM 0 HB3 LEU B 55 -6.185 -4.998 -0.997 1.00 0.00 H new ATOM 0 HG LEU B 55 -9.036 -4.347 -0.129 1.00 0.00 H new ATOM 0 HD11 LEU B 55 -8.410 -1.969 -0.461 1.00 0.00 H new ATOM 0 HD12 LEU B 55 -7.451 -2.706 0.844 1.00 0.00 H new ATOM 0 HD13 LEU B 55 -6.725 -2.455 -0.761 1.00 0.00 H new ATOM 0 HD21 LEU B 55 -9.156 -3.355 -2.402 1.00 0.00 H new ATOM 0 HD22 LEU B 55 -7.471 -3.842 -2.703 1.00 0.00 H new ATOM 0 HD23 LEU B 55 -8.729 -5.081 -2.480 1.00 0.00 H new ATOM 1600 N GLU B 56 -5.967 -7.991 -1.524 1.00 0.00 N ATOM 1601 CA GLU B 56 -5.325 -8.692 -2.672 1.00 0.00 C ATOM 1602 C GLU B 56 -6.049 -10.011 -2.954 1.00 0.00 C ATOM 1603 O GLU B 56 -6.046 -10.508 -4.063 1.00 0.00 O ATOM 1604 CB GLU B 56 -3.887 -8.954 -2.222 1.00 0.00 C ATOM 1605 CG GLU B 56 -3.061 -7.677 -2.383 1.00 0.00 C ATOM 1606 CD GLU B 56 -2.947 -7.324 -3.865 1.00 0.00 C ATOM 1607 OE1 GLU B 56 -2.066 -7.863 -4.517 1.00 0.00 O ATOM 1608 OE2 GLU B 56 -3.742 -6.522 -4.326 1.00 0.00 O ATOM 0 H GLU B 56 -5.535 -8.160 -0.616 1.00 0.00 H new ATOM 0 HA GLU B 56 -5.363 -8.105 -3.590 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -3.874 -9.279 -1.182 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -3.451 -9.759 -2.813 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -3.530 -6.857 -1.839 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -2.069 -7.817 -1.955 1.00 0.00 H new ATOM 1615 N LYS B 57 -6.667 -10.582 -1.957 1.00 0.00 N ATOM 1616 CA LYS B 57 -7.388 -11.869 -2.166 1.00 0.00 C ATOM 1617 C LYS B 57 -8.546 -11.674 -3.151 1.00 0.00 C ATOM 1618 O LYS B 57 -8.900 -12.571 -3.890 1.00 0.00 O ATOM 1619 CB LYS B 57 -7.922 -12.253 -0.785 1.00 0.00 C ATOM 1620 CG LYS B 57 -8.667 -13.585 -0.880 1.00 0.00 C ATOM 1621 CD LYS B 57 -9.380 -13.867 0.444 1.00 0.00 C ATOM 1622 CE LYS B 57 -10.694 -13.085 0.495 1.00 0.00 C ATOM 1623 NZ LYS B 57 -11.582 -13.882 1.387 1.00 0.00 N ATOM 0 H LYS B 57 -6.704 -10.213 -1.007 1.00 0.00 H new ATOM 0 HA LYS B 57 -6.741 -12.640 -2.583 1.00 0.00 H new ATOM 0 HB2 LYS B 57 -7.099 -12.334 -0.075 1.00 0.00 H new ATOM 0 HB3 LYS B 57 -8.590 -11.476 -0.412 1.00 0.00 H new ATOM 0 HG2 LYS B 57 -9.390 -13.552 -1.695 1.00 0.00 H new ATOM 0 HG3 LYS B 57 -7.968 -14.390 -1.107 1.00 0.00 H new ATOM 0 HD2 LYS B 57 -9.576 -14.935 0.543 1.00 0.00 H new ATOM 0 HD3 LYS B 57 -8.742 -13.581 1.280 1.00 0.00 H new ATOM 0 HE2 LYS B 57 -10.540 -12.080 0.887 1.00 0.00 H new ATOM 0 HE3 LYS B 57 -11.128 -12.976 -0.499 1.00 0.00 H new ATOM 0 HZ1 LYS B 57 -12.504 -13.409 1.472 1.00 0.00 H new ATOM 0 HZ2 LYS B 57 -11.716 -14.832 0.985 1.00 0.00 H new ATOM 0 HZ3 LYS B 57 -11.147 -13.963 2.328 1.00 0.00 H new ATOM 1637 N GLU B 58 -9.134 -10.509 -3.170 1.00 0.00 N ATOM 1638 CA GLU B 58 -10.265 -10.262 -4.111 1.00 0.00 C ATOM 1639 C GLU B 58 -9.732 -9.774 -5.460 1.00 0.00 C ATOM 1640 O GLU B 58 -10.331 -9.995 -6.492 1.00 0.00 O ATOM 1641 CB GLU B 58 -11.109 -9.175 -3.442 1.00 0.00 C ATOM 1642 CG GLU B 58 -12.477 -9.747 -3.068 1.00 0.00 C ATOM 1643 CD GLU B 58 -13.511 -9.334 -4.119 1.00 0.00 C ATOM 1644 OE1 GLU B 58 -13.205 -9.442 -5.295 1.00 0.00 O ATOM 1645 OE2 GLU B 58 -14.588 -8.917 -3.729 1.00 0.00 O ATOM 0 H GLU B 58 -8.881 -9.719 -2.576 1.00 0.00 H new ATOM 0 HA GLU B 58 -10.845 -11.164 -4.306 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -10.603 -8.804 -2.551 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -11.230 -8.327 -4.116 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -12.423 -10.834 -3.004 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -12.778 -9.384 -2.085 1.00 0.00 H new