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 32 SER OG : rot 32:sc= 0.425 USER MOD Set 1.2: B 51 TYR OH : rot -64:sc= 0.122 USER MOD Set 2.1: B 19 TYR OH : rot 180:sc= 0.0221 USER MOD Set 2.2: B 24 ASN :FLIP amide:sc= 0.0221 F(o=-0.64,f=0.044) USER MOD Set 3.1: A 21 GLN : amide:sc= -3.28! C(o=-6.6!,f=-6.5!) USER MOD Set 3.2: B 21 GLN : amide:sc= -3.31! C(o=-6.6!,f=-6.9!) USER MOD Set 4.1: A 32 SER OG : rot 3:sc= 0.344 USER MOD Set 4.2: A 51 TYR OH : rot -67:sc= 0.0601 USER MOD Set 5.1: A 19 TYR OH : rot 180:sc= 0.0203 USER MOD Set 5.2: A 24 ASN :FLIP amide:sc=-0.00327 F(o=-0.55,f=0.017) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HE2:sc= -0.374 K(o=-0.37,f=-1.7) USER MOD Single : A 26 GLN : amide:sc= -1.31 X(o=-1.3,f=-1.6) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.247 X(o=-0.25,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 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 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 HIS : no HE2:sc= -0.393 K(o=-0.39,f=-1.8) USER MOD Single : B 26 GLN : amide:sc= -1.3 X(o=-1.3,f=-1.6) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 GLN : amide:sc= -0.208 X(o=-0.21,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 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 -14.397 11.510 11.044 1.00 0.00 N ATOM 73 CA CYS A 16 -13.442 11.011 10.011 1.00 0.00 C ATOM 74 C CYS A 16 -12.315 12.028 9.794 1.00 0.00 C ATOM 75 O CYS A 16 -11.187 11.670 9.519 1.00 0.00 O ATOM 76 CB CYS A 16 -14.281 10.857 8.742 1.00 0.00 C ATOM 77 SG CYS A 16 -13.223 10.321 7.373 1.00 0.00 S ATOM 0 HA CYS A 16 -12.968 10.074 10.303 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -15.076 10.130 8.906 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -14.761 11.804 8.494 1.00 0.00 H new ATOM 82 N GLU A 17 -12.615 13.292 9.913 1.00 0.00 N ATOM 83 CA GLU A 17 -11.562 14.329 9.710 1.00 0.00 C ATOM 84 C GLU A 17 -10.496 14.223 10.806 1.00 0.00 C ATOM 85 O GLU A 17 -9.311 14.256 10.536 1.00 0.00 O ATOM 86 CB GLU A 17 -12.298 15.665 9.808 1.00 0.00 C ATOM 87 CG GLU A 17 -11.362 16.798 9.382 1.00 0.00 C ATOM 88 CD GLU A 17 -12.178 18.067 9.130 1.00 0.00 C ATOM 89 OE1 GLU A 17 -12.906 18.096 8.150 1.00 0.00 O ATOM 90 OE2 GLU A 17 -12.062 18.988 9.921 1.00 0.00 O ATOM 0 H GLU A 17 -13.542 13.652 10.142 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.049 14.214 8.755 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -13.183 15.652 9.172 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.642 15.828 10.829 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.617 16.980 10.157 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.820 16.516 8.479 1.00 0.00 H new ATOM 97 N LEU A 18 -10.906 14.096 12.038 1.00 0.00 N ATOM 98 CA LEU A 18 -9.912 13.987 13.146 1.00 0.00 C ATOM 99 C LEU A 18 -9.420 12.541 13.289 1.00 0.00 C ATOM 100 O LEU A 18 -8.467 12.269 13.993 1.00 0.00 O ATOM 101 CB LEU A 18 -10.668 14.421 14.401 1.00 0.00 C ATOM 102 CG LEU A 18 -9.871 15.506 15.127 1.00 0.00 C ATOM 103 CD1 LEU A 18 -10.149 16.866 14.483 1.00 0.00 C ATOM 104 CD2 LEU A 18 -10.288 15.548 16.601 1.00 0.00 C ATOM 0 H LEU A 18 -11.884 14.063 12.326 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.030 14.602 12.965 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.655 14.798 14.132 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.822 13.566 15.059 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.807 15.280 15.055 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.580 17.637 15.002 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -9.852 16.840 13.435 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.213 17.091 14.553 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.720 16.321 17.118 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.353 15.771 16.672 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.089 14.581 17.063 1.00 0.00 H new ATOM 116 N TYR A 19 -10.058 11.610 12.630 1.00 0.00 N ATOM 117 CA TYR A 19 -9.620 10.188 12.735 1.00 0.00 C ATOM 118 C TYR A 19 -8.569 9.871 11.664 1.00 0.00 C ATOM 119 O TYR A 19 -8.294 8.722 11.377 1.00 0.00 O ATOM 120 CB TYR A 19 -10.886 9.370 12.495 1.00 0.00 C ATOM 121 CG TYR A 19 -10.758 8.025 13.169 1.00 0.00 C ATOM 122 CD1 TYR A 19 -11.110 7.881 14.531 1.00 0.00 C ATOM 123 CD2 TYR A 19 -10.286 6.911 12.438 1.00 0.00 C ATOM 124 CE1 TYR A 19 -10.990 6.622 15.160 1.00 0.00 C ATOM 125 CE2 TYR A 19 -10.167 5.652 13.069 1.00 0.00 C ATOM 126 CZ TYR A 19 -10.519 5.507 14.429 1.00 0.00 C ATOM 127 OH TYR A 19 -10.403 4.277 15.045 1.00 0.00 O ATOM 0 H TYR A 19 -10.862 11.773 12.024 1.00 0.00 H new ATOM 0 HA TYR A 19 -9.164 9.968 13.700 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -11.754 9.902 12.885 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -11.048 9.238 11.425 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -11.470 8.732 15.089 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -10.017 7.022 11.398 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -11.258 6.511 16.200 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -9.807 4.800 12.511 1.00 0.00 H new ATOM 0 HH TYR A 19 -10.066 3.619 14.401 1.00 0.00 H new ATOM 137 N VAL A 20 -7.981 10.875 11.073 1.00 0.00 N ATOM 138 CA VAL A 20 -6.953 10.621 10.023 1.00 0.00 C ATOM 139 C VAL A 20 -5.751 9.877 10.638 1.00 0.00 C ATOM 140 O VAL A 20 -5.883 8.757 11.087 1.00 0.00 O ATOM 141 CB VAL A 20 -6.565 12.008 9.482 1.00 0.00 C ATOM 142 CG1 VAL A 20 -7.725 12.582 8.669 1.00 0.00 C ATOM 143 CG2 VAL A 20 -6.237 12.961 10.641 1.00 0.00 C ATOM 0 H VAL A 20 -8.167 11.858 11.271 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.321 9.988 9.216 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.685 11.904 8.848 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.450 13.565 8.286 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.949 11.917 7.835 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.605 12.674 9.306 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.964 13.938 10.242 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.110 13.063 11.286 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.404 12.559 11.218 1.00 0.00 H new ATOM 153 N GLN A 21 -4.584 10.472 10.664 1.00 0.00 N ATOM 154 CA GLN A 21 -3.410 9.766 11.250 1.00 0.00 C ATOM 155 C GLN A 21 -3.291 10.073 12.745 1.00 0.00 C ATOM 156 O GLN A 21 -3.017 9.203 13.546 1.00 0.00 O ATOM 157 CB GLN A 21 -2.198 10.316 10.495 1.00 0.00 C ATOM 158 CG GLN A 21 -1.619 9.226 9.592 1.00 0.00 C ATOM 159 CD GLN A 21 -0.641 9.852 8.599 1.00 0.00 C ATOM 160 OE1 GLN A 21 -0.937 9.967 7.426 1.00 0.00 O ATOM 161 NE2 GLN A 21 0.524 10.267 9.020 1.00 0.00 N ATOM 0 H GLN A 21 -4.397 11.409 10.307 1.00 0.00 H new ATOM 0 HA GLN A 21 -3.496 8.683 11.156 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.490 11.180 9.898 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -1.441 10.658 11.201 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -1.110 8.473 10.194 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -2.421 8.718 9.057 1.00 0.00 H new ATOM 0 HE21 GLN A 21 0.774 10.171 10.004 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.183 10.687 8.365 1.00 0.00 H new ATOM 170 N LYS A 22 -3.495 11.304 13.126 1.00 0.00 N ATOM 171 CA LYS A 22 -3.395 11.665 14.571 1.00 0.00 C ATOM 172 C LYS A 22 -4.567 11.060 15.347 1.00 0.00 C ATOM 173 O LYS A 22 -5.374 11.766 15.920 1.00 0.00 O ATOM 174 CB LYS A 22 -3.460 13.192 14.601 1.00 0.00 C ATOM 175 CG LYS A 22 -2.564 13.722 15.722 1.00 0.00 C ATOM 176 CD LYS A 22 -2.570 15.252 15.702 1.00 0.00 C ATOM 177 CE LYS A 22 -2.219 15.786 17.091 1.00 0.00 C ATOM 178 NZ LYS A 22 -3.515 16.241 17.667 1.00 0.00 N ATOM 0 H LYS A 22 -3.727 12.076 12.501 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.482 11.288 15.031 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.139 13.599 13.642 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -4.488 13.519 14.758 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.918 13.359 16.687 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.547 13.350 15.595 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.852 15.619 14.969 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.551 15.618 15.398 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.763 15.012 17.708 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.504 16.607 17.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.356 16.621 18.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.922 16.983 17.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.173 15.437 17.720 1.00 0.00 H new ATOM 192 N HIS A 23 -4.669 9.760 15.367 1.00 0.00 N ATOM 193 CA HIS A 23 -5.791 9.110 16.103 1.00 0.00 C ATOM 194 C HIS A 23 -5.565 7.598 16.184 1.00 0.00 C ATOM 195 O HIS A 23 -5.867 6.969 17.180 1.00 0.00 O ATOM 196 CB HIS A 23 -7.036 9.421 15.273 1.00 0.00 C ATOM 197 CG HIS A 23 -8.257 9.343 16.150 1.00 0.00 C ATOM 198 ND1 HIS A 23 -9.144 10.400 16.277 1.00 0.00 N ATOM 199 CD2 HIS A 23 -8.750 8.342 16.950 1.00 0.00 C ATOM 200 CE1 HIS A 23 -10.117 10.014 17.124 1.00 0.00 C ATOM 201 NE2 HIS A 23 -9.925 8.767 17.562 1.00 0.00 N ATOM 0 H HIS A 23 -4.024 9.119 14.905 1.00 0.00 H new ATOM 0 HA HIS A 23 -5.880 9.472 17.127 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -6.954 10.415 14.833 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -7.122 8.714 14.448 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -9.073 11.306 15.813 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.295 7.372 17.084 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -10.951 10.637 17.414 1.00 0.00 H new ATOM 209 N ASN A 24 -5.040 7.006 15.145 1.00 0.00 N ATOM 210 CA ASN A 24 -4.803 5.535 15.168 1.00 0.00 C ATOM 211 C ASN A 24 -3.732 5.143 14.145 1.00 0.00 C ATOM 212 O ASN A 24 -2.847 4.361 14.427 1.00 0.00 O ATOM 213 CB ASN A 24 -6.149 4.918 14.787 1.00 0.00 C ATOM 214 CG ASN A 24 -6.307 3.564 15.482 1.00 0.00 C ATOM 215 OD1 ASN A 24 -5.250 2.832 15.707 1.00 0.00 O flip ATOM 216 ND2 ASN A 24 -7.403 3.167 15.824 1.00 0.00 N flip ATOM 0 H ASN A 24 -4.766 7.477 14.283 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.448 5.193 16.140 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -6.961 5.584 15.077 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.210 4.793 13.706 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -8.230 3.738 15.649 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -7.496 2.263 16.286 1.00 0.00 H new ATOM 223 N ILE A 25 -3.811 5.680 12.959 1.00 0.00 N ATOM 224 CA ILE A 25 -2.802 5.335 11.913 1.00 0.00 C ATOM 225 C ILE A 25 -1.477 6.071 12.164 1.00 0.00 C ATOM 226 O ILE A 25 -0.535 5.934 11.408 1.00 0.00 O ATOM 227 CB ILE A 25 -3.437 5.791 10.596 1.00 0.00 C ATOM 228 CG1 ILE A 25 -4.663 4.924 10.297 1.00 0.00 C ATOM 229 CG2 ILE A 25 -2.425 5.647 9.455 1.00 0.00 C ATOM 230 CD1 ILE A 25 -5.669 5.728 9.470 1.00 0.00 C ATOM 0 H ILE A 25 -4.529 6.343 12.667 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.562 4.272 11.909 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.736 6.835 10.683 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.364 4.028 9.754 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -5.123 4.594 11.228 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.882 5.973 8.520 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.550 6.262 9.665 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.122 4.604 9.367 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.542 5.110 9.257 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -5.977 6.611 10.030 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.206 6.036 8.533 1.00 0.00 H new ATOM 242 N GLN A 26 -1.388 6.848 13.211 1.00 0.00 N ATOM 243 CA GLN A 26 -0.116 7.577 13.486 1.00 0.00 C ATOM 244 C GLN A 26 1.047 6.588 13.603 1.00 0.00 C ATOM 245 O GLN A 26 2.167 6.887 13.235 1.00 0.00 O ATOM 246 CB GLN A 26 -0.346 8.299 14.814 1.00 0.00 C ATOM 247 CG GLN A 26 -0.254 9.811 14.593 1.00 0.00 C ATOM 248 CD GLN A 26 -0.284 10.528 15.944 1.00 0.00 C ATOM 249 OE1 GLN A 26 -1.075 10.195 16.804 1.00 0.00 O ATOM 250 NE2 GLN A 26 0.549 11.507 16.165 1.00 0.00 N ATOM 0 H GLN A 26 -2.137 7.009 13.884 1.00 0.00 H new ATOM 0 HA GLN A 26 0.140 8.273 12.687 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -1.324 8.038 15.218 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.396 7.982 15.547 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.665 10.056 14.060 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.083 10.149 13.971 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.212 11.785 15.442 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.537 11.994 17.061 1.00 0.00 H new ATOM 259 N ALA A 27 0.795 5.411 14.109 1.00 0.00 N ATOM 260 CA ALA A 27 1.889 4.406 14.244 1.00 0.00 C ATOM 261 C ALA A 27 2.220 3.806 12.876 1.00 0.00 C ATOM 262 O ALA A 27 3.371 3.645 12.520 1.00 0.00 O ATOM 263 CB ALA A 27 1.329 3.332 15.178 1.00 0.00 C ATOM 0 H ALA A 27 -0.121 5.102 14.435 1.00 0.00 H new ATOM 0 HA ALA A 27 2.808 4.844 14.633 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.077 2.554 15.328 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.076 3.781 16.138 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.434 2.895 14.735 1.00 0.00 H new ATOM 269 N LEU A 28 1.219 3.476 12.107 1.00 0.00 N ATOM 270 CA LEU A 28 1.470 2.889 10.759 1.00 0.00 C ATOM 271 C LEU A 28 2.427 3.786 9.963 1.00 0.00 C ATOM 272 O LEU A 28 3.396 3.325 9.394 1.00 0.00 O ATOM 273 CB LEU A 28 0.091 2.839 10.092 1.00 0.00 C ATOM 274 CG LEU A 28 0.236 2.455 8.616 1.00 0.00 C ATOM 275 CD1 LEU A 28 0.682 0.995 8.507 1.00 0.00 C ATOM 276 CD2 LEU A 28 -1.112 2.629 7.912 1.00 0.00 C ATOM 0 H LEU A 28 0.236 3.588 12.354 1.00 0.00 H new ATOM 0 HA LEU A 28 1.933 1.904 10.811 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.544 2.115 10.604 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.399 3.809 10.177 1.00 0.00 H new ATOM 0 HG LEU A 28 0.981 3.097 8.145 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.785 0.723 7.456 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.641 0.869 9.010 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.062 0.351 8.977 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.012 2.356 6.861 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.855 1.986 8.384 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.431 3.669 7.988 1.00 0.00 H new ATOM 288 N LEU A 29 2.157 5.061 9.917 1.00 0.00 N ATOM 289 CA LEU A 29 3.043 5.987 9.154 1.00 0.00 C ATOM 290 C LEU A 29 4.345 6.238 9.917 1.00 0.00 C ATOM 291 O LEU A 29 5.381 6.484 9.332 1.00 0.00 O ATOM 292 CB LEU A 29 2.239 7.281 9.030 1.00 0.00 C ATOM 293 CG LEU A 29 1.422 7.256 7.738 1.00 0.00 C ATOM 294 CD1 LEU A 29 2.364 7.162 6.539 1.00 0.00 C ATOM 295 CD2 LEU A 29 0.485 6.046 7.746 1.00 0.00 C ATOM 0 H LEU A 29 1.360 5.503 10.375 1.00 0.00 H new ATOM 0 HA LEU A 29 3.324 5.580 8.183 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.577 7.393 9.889 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.910 8.140 9.031 1.00 0.00 H new ATOM 0 HG LEU A 29 0.833 8.170 7.666 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.781 7.144 5.618 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.029 8.025 6.530 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.955 6.249 6.611 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.096 6.030 6.824 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.073 5.131 7.820 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.190 6.114 8.599 1.00 0.00 H new ATOM 307 N LYS A 30 4.302 6.184 11.220 1.00 0.00 N ATOM 308 CA LYS A 30 5.540 6.426 12.022 1.00 0.00 C ATOM 309 C LYS A 30 6.711 5.602 11.477 1.00 0.00 C ATOM 310 O LYS A 30 7.592 6.119 10.817 1.00 0.00 O ATOM 311 CB LYS A 30 5.186 5.974 13.441 1.00 0.00 C ATOM 312 CG LYS A 30 5.062 7.198 14.349 1.00 0.00 C ATOM 313 CD LYS A 30 5.238 6.772 15.808 1.00 0.00 C ATOM 314 CE LYS A 30 6.719 6.515 16.091 1.00 0.00 C ATOM 315 NZ LYS A 30 6.738 5.751 17.369 1.00 0.00 N ATOM 0 H LYS A 30 3.464 5.983 11.766 1.00 0.00 H new ATOM 0 HA LYS A 30 5.850 7.470 11.986 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.249 5.417 13.434 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.954 5.301 13.822 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.815 7.939 14.082 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.089 7.669 14.212 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.860 7.549 16.473 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.657 5.871 16.007 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.183 5.947 15.284 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.272 7.450 16.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.721 5.536 17.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.296 6.319 18.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.210 4.863 17.251 1.00 0.00 H new ATOM 329 N ASP A 31 6.731 4.327 11.749 1.00 0.00 N ATOM 330 CA ASP A 31 7.848 3.474 11.249 1.00 0.00 C ATOM 331 C ASP A 31 7.848 3.431 9.718 1.00 0.00 C ATOM 332 O ASP A 31 8.887 3.440 9.088 1.00 0.00 O ATOM 333 CB ASP A 31 7.567 2.086 11.825 1.00 0.00 C ATOM 334 CG ASP A 31 8.889 1.363 12.088 1.00 0.00 C ATOM 335 OD1 ASP A 31 9.794 1.514 11.282 1.00 0.00 O ATOM 336 OD2 ASP A 31 8.977 0.672 13.087 1.00 0.00 O ATOM 0 H ASP A 31 6.023 3.838 12.296 1.00 0.00 H new ATOM 0 HA ASP A 31 8.824 3.855 11.550 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.998 2.174 12.751 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.957 1.509 11.130 1.00 0.00 H new ATOM 341 N SER A 32 6.691 3.383 9.114 1.00 0.00 N ATOM 342 CA SER A 32 6.629 3.336 7.624 1.00 0.00 C ATOM 343 C SER A 32 7.413 4.505 7.017 1.00 0.00 C ATOM 344 O SER A 32 8.281 4.317 6.191 1.00 0.00 O ATOM 345 CB SER A 32 5.145 3.459 7.283 1.00 0.00 C ATOM 346 OG SER A 32 4.500 2.220 7.541 1.00 0.00 O ATOM 0 H SER A 32 5.787 3.374 9.587 1.00 0.00 H new ATOM 0 HA SER A 32 7.067 2.420 7.227 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.688 4.251 7.877 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.022 3.735 6.236 1.00 0.00 H new ATOM 0 HG SER A 32 5.146 1.587 7.917 1.00 0.00 H new ATOM 352 N ILE A 33 7.106 5.707 7.418 1.00 0.00 N ATOM 353 CA ILE A 33 7.827 6.886 6.858 1.00 0.00 C ATOM 354 C ILE A 33 9.337 6.753 7.098 1.00 0.00 C ATOM 355 O ILE A 33 10.141 7.206 6.309 1.00 0.00 O ATOM 356 CB ILE A 33 7.265 8.090 7.617 1.00 0.00 C ATOM 357 CG1 ILE A 33 5.785 8.266 7.268 1.00 0.00 C ATOM 358 CG2 ILE A 33 8.031 9.354 7.217 1.00 0.00 C ATOM 359 CD1 ILE A 33 5.134 9.220 8.272 1.00 0.00 C ATOM 0 H ILE A 33 6.388 5.925 8.109 1.00 0.00 H new ATOM 0 HA ILE A 33 7.688 6.981 5.781 1.00 0.00 H new ATOM 0 HB ILE A 33 7.373 7.923 8.689 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.683 8.660 6.257 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.279 7.301 7.286 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.629 10.210 7.759 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.086 9.233 7.462 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.924 9.520 6.145 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.080 9.346 8.024 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.223 8.807 9.277 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.634 10.188 8.231 1.00 0.00 H new ATOM 371 N VAL A 34 9.724 6.140 8.183 1.00 0.00 N ATOM 372 CA VAL A 34 11.181 5.986 8.471 1.00 0.00 C ATOM 373 C VAL A 34 11.785 4.840 7.648 1.00 0.00 C ATOM 374 O VAL A 34 12.987 4.667 7.607 1.00 0.00 O ATOM 375 CB VAL A 34 11.257 5.665 9.964 1.00 0.00 C ATOM 376 CG1 VAL A 34 12.723 5.516 10.381 1.00 0.00 C ATOM 377 CG2 VAL A 34 10.616 6.804 10.762 1.00 0.00 C ATOM 0 H VAL A 34 9.098 5.740 8.881 1.00 0.00 H new ATOM 0 HA VAL A 34 11.741 6.884 8.211 1.00 0.00 H new ATOM 0 HB VAL A 34 10.726 4.734 10.163 1.00 0.00 H new ATOM 0 HG11 VAL A 34 12.777 5.287 11.445 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.183 4.708 9.812 1.00 0.00 H new ATOM 0 HG13 VAL A 34 13.254 6.447 10.183 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.669 6.577 11.827 1.00 0.00 H new ATOM 0 HG22 VAL A 34 11.149 7.733 10.562 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.573 6.913 10.466 1.00 0.00 H new ATOM 387 N GLN A 35 10.969 4.058 6.995 1.00 0.00 N ATOM 388 CA GLN A 35 11.512 2.932 6.183 1.00 0.00 C ATOM 389 C GLN A 35 11.141 3.106 4.707 1.00 0.00 C ATOM 390 O GLN A 35 11.908 2.785 3.823 1.00 0.00 O ATOM 391 CB GLN A 35 10.850 1.678 6.756 1.00 0.00 C ATOM 392 CG GLN A 35 11.863 0.905 7.602 1.00 0.00 C ATOM 393 CD GLN A 35 11.136 -0.175 8.407 1.00 0.00 C ATOM 394 OE1 GLN A 35 11.454 -0.410 9.556 1.00 0.00 O ATOM 395 NE2 GLN A 35 10.167 -0.845 7.847 1.00 0.00 N ATOM 0 H GLN A 35 9.953 4.150 6.988 1.00 0.00 H new ATOM 0 HA GLN A 35 12.600 2.881 6.229 1.00 0.00 H new ATOM 0 HB2 GLN A 35 9.989 1.955 7.364 1.00 0.00 H new ATOM 0 HB3 GLN A 35 10.480 1.048 5.947 1.00 0.00 H new ATOM 0 HG2 GLN A 35 12.617 0.450 6.960 1.00 0.00 H new ATOM 0 HG3 GLN A 35 12.386 1.585 8.275 1.00 0.00 H new ATOM 0 HE21 GLN A 35 9.901 -0.647 6.882 1.00 0.00 H new ATOM 0 HE22 GLN A 35 9.675 -1.567 8.374 1.00 0.00 H new ATOM 404 N LEU A 36 9.969 3.612 4.436 1.00 0.00 N ATOM 405 CA LEU A 36 9.551 3.801 3.018 1.00 0.00 C ATOM 406 C LEU A 36 10.274 5.004 2.405 1.00 0.00 C ATOM 407 O LEU A 36 10.510 5.055 1.213 1.00 0.00 O ATOM 408 CB LEU A 36 8.044 4.057 3.080 1.00 0.00 C ATOM 409 CG LEU A 36 7.294 2.723 3.058 1.00 0.00 C ATOM 410 CD1 LEU A 36 7.610 1.979 1.759 1.00 0.00 C ATOM 411 CD2 LEU A 36 7.733 1.871 4.250 1.00 0.00 C ATOM 0 H LEU A 36 9.284 3.902 5.134 1.00 0.00 H new ATOM 0 HA LEU A 36 9.794 2.937 2.399 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.796 4.610 3.986 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.735 4.673 2.236 1.00 0.00 H new ATOM 0 HG LEU A 36 6.222 2.910 3.118 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.075 1.029 1.744 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.298 2.584 0.908 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.682 1.793 1.698 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.199 0.921 4.234 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.805 1.685 4.189 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.508 2.399 5.177 1.00 0.00 H new ATOM 423 N CYS A 37 10.628 5.974 3.206 1.00 0.00 N ATOM 424 CA CYS A 37 11.332 7.169 2.660 1.00 0.00 C ATOM 425 C CYS A 37 12.566 6.739 1.860 1.00 0.00 C ATOM 426 O CYS A 37 12.938 7.367 0.888 1.00 0.00 O ATOM 427 CB CYS A 37 11.744 7.986 3.886 1.00 0.00 C ATOM 428 SG CYS A 37 10.499 9.263 4.202 1.00 0.00 S ATOM 0 H CYS A 37 10.460 5.990 4.212 1.00 0.00 H new ATOM 0 HA CYS A 37 10.700 7.744 1.983 1.00 0.00 H new ATOM 0 HB2 CYS A 37 11.842 7.335 4.755 1.00 0.00 H new ATOM 0 HB3 CYS A 37 12.718 8.445 3.720 1.00 0.00 H new ATOM 433 N THR A 38 13.203 5.672 2.259 1.00 0.00 N ATOM 434 CA THR A 38 14.409 5.203 1.519 1.00 0.00 C ATOM 435 C THR A 38 14.014 4.640 0.150 1.00 0.00 C ATOM 436 O THR A 38 14.844 4.466 -0.722 1.00 0.00 O ATOM 437 CB THR A 38 15.010 4.104 2.397 1.00 0.00 C ATOM 438 OG1 THR A 38 15.143 4.582 3.729 1.00 0.00 O ATOM 439 CG2 THR A 38 16.386 3.707 1.857 1.00 0.00 C ATOM 0 H THR A 38 12.941 5.105 3.065 1.00 0.00 H new ATOM 0 HA THR A 38 15.116 6.012 1.334 1.00 0.00 H new ATOM 0 HB THR A 38 14.354 3.234 2.386 1.00 0.00 H new ATOM 0 HG1 THR A 38 15.526 3.878 4.293 1.00 0.00 H new ATOM 0 HG21 THR A 38 16.811 2.924 2.485 1.00 0.00 H new ATOM 0 HG22 THR A 38 16.284 3.338 0.836 1.00 0.00 H new ATOM 0 HG23 THR A 38 17.044 4.576 1.865 1.00 0.00 H new ATOM 447 N ALA A 39 12.755 4.353 -0.051 1.00 0.00 N ATOM 448 CA ALA A 39 12.315 3.802 -1.368 1.00 0.00 C ATOM 449 C ALA A 39 13.136 2.558 -1.718 1.00 0.00 C ATOM 450 O ALA A 39 13.258 2.187 -2.868 1.00 0.00 O ATOM 451 CB ALA A 39 12.575 4.922 -2.375 1.00 0.00 C ATOM 0 H ALA A 39 12.013 4.476 0.638 1.00 0.00 H new ATOM 0 HA ALA A 39 11.268 3.500 -1.362 1.00 0.00 H new ATOM 0 HB1 ALA A 39 12.276 4.593 -3.370 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.998 5.804 -2.096 1.00 0.00 H new ATOM 0 HB3 ALA A 39 13.637 5.169 -2.378 1.00 0.00 H new ATOM 457 N ARG A 40 13.697 1.914 -0.733 1.00 0.00 N ATOM 458 CA ARG A 40 14.510 0.693 -1.004 1.00 0.00 C ATOM 459 C ARG A 40 13.669 -0.374 -1.717 1.00 0.00 C ATOM 460 O ARG A 40 14.023 -0.820 -2.790 1.00 0.00 O ATOM 461 CB ARG A 40 14.951 0.196 0.373 1.00 0.00 C ATOM 462 CG ARG A 40 16.420 0.560 0.602 1.00 0.00 C ATOM 463 CD ARG A 40 17.311 -0.566 0.074 1.00 0.00 C ATOM 464 NE ARG A 40 17.444 -1.517 1.212 1.00 0.00 N ATOM 465 CZ ARG A 40 17.865 -2.734 1.000 1.00 0.00 C ATOM 466 NH1 ARG A 40 19.135 -2.958 0.798 1.00 0.00 N ATOM 467 NH2 ARG A 40 17.017 -3.726 0.989 1.00 0.00 N ATOM 0 H ARG A 40 13.628 2.180 0.249 1.00 0.00 H new ATOM 0 HA ARG A 40 15.358 0.906 -1.655 1.00 0.00 H new ATOM 0 HB2 ARG A 40 14.330 0.643 1.149 1.00 0.00 H new ATOM 0 HB3 ARG A 40 14.818 -0.884 0.441 1.00 0.00 H new ATOM 0 HG2 ARG A 40 16.658 1.495 0.095 1.00 0.00 H new ATOM 0 HG3 ARG A 40 16.606 0.718 1.664 1.00 0.00 H new ATOM 0 HD2 ARG A 40 16.863 -1.049 -0.794 1.00 0.00 H new ATOM 0 HD3 ARG A 40 18.284 -0.186 -0.239 1.00 0.00 H new ATOM 0 HE ARG A 40 17.206 -1.217 2.157 1.00 0.00 H new ATOM 0 HH11 ARG A 40 19.797 -2.182 0.806 1.00 0.00 H new ATOM 0 HH12 ARG A 40 19.465 -3.909 0.632 1.00 0.00 H new ATOM 0 HH21 ARG A 40 16.025 -3.550 1.146 1.00 0.00 H new ATOM 0 HH22 ARG A 40 17.347 -4.677 0.823 1.00 0.00 H new ATOM 481 N PRO A 41 12.579 -0.757 -1.096 1.00 0.00 N ATOM 482 CA PRO A 41 11.694 -1.790 -1.690 1.00 0.00 C ATOM 483 C PRO A 41 10.931 -1.225 -2.890 1.00 0.00 C ATOM 484 O PRO A 41 9.997 -0.461 -2.744 1.00 0.00 O ATOM 485 CB PRO A 41 10.739 -2.143 -0.552 1.00 0.00 C ATOM 486 CG PRO A 41 10.728 -0.936 0.334 1.00 0.00 C ATOM 487 CD PRO A 41 12.074 -0.275 0.197 1.00 0.00 C ATOM 0 HA PRO A 41 12.241 -2.655 -2.065 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.741 -2.365 -0.929 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.079 -3.026 -0.011 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.931 -0.252 0.043 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.542 -1.220 1.370 1.00 0.00 H new ATOM 0 HD2 PRO A 41 11.988 0.812 0.212 1.00 0.00 H new ATOM 0 HD3 PRO A 41 12.740 -0.553 1.014 1.00 0.00 H new ATOM 495 N GLU A 42 11.319 -1.599 -4.079 1.00 0.00 N ATOM 496 CA GLU A 42 10.614 -1.091 -5.291 1.00 0.00 C ATOM 497 C GLU A 42 9.169 -1.599 -5.313 1.00 0.00 C ATOM 498 O GLU A 42 8.313 -1.034 -5.963 1.00 0.00 O ATOM 499 CB GLU A 42 11.400 -1.654 -6.475 1.00 0.00 C ATOM 500 CG GLU A 42 11.489 -3.176 -6.354 1.00 0.00 C ATOM 501 CD GLU A 42 11.143 -3.818 -7.698 1.00 0.00 C ATOM 502 OE1 GLU A 42 10.003 -3.695 -8.116 1.00 0.00 O ATOM 503 OE2 GLU A 42 12.025 -4.419 -8.290 1.00 0.00 O ATOM 0 H GLU A 42 12.095 -2.235 -4.264 1.00 0.00 H new ATOM 0 HA GLU A 42 10.568 -0.002 -5.316 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.912 -1.381 -7.411 1.00 0.00 H new ATOM 0 HB3 GLU A 42 12.400 -1.222 -6.499 1.00 0.00 H new ATOM 0 HG2 GLU A 42 12.493 -3.469 -6.048 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.805 -3.530 -5.583 1.00 0.00 H new ATOM 510 N ARG A 43 8.893 -2.660 -4.602 1.00 0.00 N ATOM 511 CA ARG A 43 7.502 -3.200 -4.578 1.00 0.00 C ATOM 512 C ARG A 43 6.931 -3.123 -3.156 1.00 0.00 C ATOM 513 O ARG A 43 6.734 -4.135 -2.515 1.00 0.00 O ATOM 514 CB ARG A 43 7.638 -4.658 -5.023 1.00 0.00 C ATOM 515 CG ARG A 43 7.412 -4.753 -6.535 1.00 0.00 C ATOM 516 CD ARG A 43 7.836 -6.139 -7.026 1.00 0.00 C ATOM 517 NE ARG A 43 7.323 -6.224 -8.421 1.00 0.00 N ATOM 518 CZ ARG A 43 6.402 -7.097 -8.726 1.00 0.00 C ATOM 519 NH1 ARG A 43 6.577 -8.358 -8.444 1.00 0.00 N ATOM 520 NH2 ARG A 43 5.303 -6.707 -9.313 1.00 0.00 N ATOM 0 H ARG A 43 9.569 -3.175 -4.038 1.00 0.00 H new ATOM 0 HA ARG A 43 6.827 -2.638 -5.223 1.00 0.00 H new ATOM 0 HB2 ARG A 43 8.628 -5.037 -4.768 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.914 -5.279 -4.496 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.362 -4.578 -6.769 1.00 0.00 H new ATOM 0 HG3 ARG A 43 7.986 -3.982 -7.049 1.00 0.00 H new ATOM 0 HD2 ARG A 43 8.919 -6.255 -6.996 1.00 0.00 H new ATOM 0 HD3 ARG A 43 7.414 -6.926 -6.401 1.00 0.00 H new ATOM 0 HE ARG A 43 7.691 -5.600 -9.139 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.435 -8.664 -7.984 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.856 -9.039 -8.683 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.165 -5.721 -9.533 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.583 -7.389 -9.552 1.00 0.00 H new ATOM 534 N PRO A 44 6.685 -1.917 -2.706 1.00 0.00 N ATOM 535 CA PRO A 44 6.133 -1.714 -1.343 1.00 0.00 C ATOM 536 C PRO A 44 4.657 -2.128 -1.285 1.00 0.00 C ATOM 537 O PRO A 44 4.088 -2.272 -0.221 1.00 0.00 O ATOM 538 CB PRO A 44 6.285 -0.213 -1.114 1.00 0.00 C ATOM 539 CG PRO A 44 6.305 0.391 -2.482 1.00 0.00 C ATOM 540 CD PRO A 44 6.891 -0.641 -3.410 1.00 0.00 C ATOM 0 HA PRO A 44 6.641 -2.312 -0.586 1.00 0.00 H new ATOM 0 HB2 PRO A 44 5.459 0.181 -0.521 1.00 0.00 H new ATOM 0 HB3 PRO A 44 7.203 0.012 -0.571 1.00 0.00 H new ATOM 0 HG2 PRO A 44 5.298 0.666 -2.797 1.00 0.00 H new ATOM 0 HG3 PRO A 44 6.902 1.303 -2.492 1.00 0.00 H new ATOM 0 HD2 PRO A 44 6.391 -0.635 -4.379 1.00 0.00 H new ATOM 0 HD3 PRO A 44 7.949 -0.455 -3.596 1.00 0.00 H new ATOM 548 N MET A 45 4.029 -2.318 -2.417 1.00 0.00 N ATOM 549 CA MET A 45 2.591 -2.718 -2.418 1.00 0.00 C ATOM 550 C MET A 45 2.365 -3.909 -1.481 1.00 0.00 C ATOM 551 O MET A 45 1.589 -3.840 -0.549 1.00 0.00 O ATOM 552 CB MET A 45 2.290 -3.110 -3.864 1.00 0.00 C ATOM 553 CG MET A 45 2.010 -1.851 -4.686 1.00 0.00 C ATOM 554 SD MET A 45 1.203 -2.310 -6.240 1.00 0.00 S ATOM 555 CE MET A 45 1.183 -0.658 -6.980 1.00 0.00 C ATOM 0 H MET A 45 4.450 -2.213 -3.340 1.00 0.00 H new ATOM 0 HA MET A 45 1.942 -1.915 -2.068 1.00 0.00 H new ATOM 0 HB2 MET A 45 3.134 -3.654 -4.288 1.00 0.00 H new ATOM 0 HB3 MET A 45 1.430 -3.779 -3.899 1.00 0.00 H new ATOM 0 HG2 MET A 45 1.374 -1.169 -4.121 1.00 0.00 H new ATOM 0 HG3 MET A 45 2.941 -1.323 -4.890 1.00 0.00 H new ATOM 0 HE1 MET A 45 0.719 -0.706 -7.965 1.00 0.00 H new ATOM 0 HE2 MET A 45 0.614 0.019 -6.343 1.00 0.00 H new ATOM 0 HE3 MET A 45 2.205 -0.291 -7.078 1.00 0.00 H new ATOM 565 N ALA A 46 3.037 -5.002 -1.720 1.00 0.00 N ATOM 566 CA ALA A 46 2.860 -6.192 -0.841 1.00 0.00 C ATOM 567 C ALA A 46 3.594 -5.983 0.485 1.00 0.00 C ATOM 568 O ALA A 46 3.258 -6.571 1.494 1.00 0.00 O ATOM 569 CB ALA A 46 3.474 -7.355 -1.618 1.00 0.00 C ATOM 0 H ALA A 46 3.700 -5.122 -2.485 1.00 0.00 H new ATOM 0 HA ALA A 46 1.813 -6.374 -0.598 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.383 -8.271 -1.034 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.951 -7.475 -2.567 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.527 -7.150 -1.808 1.00 0.00 H new ATOM 575 N PHE A 47 4.595 -5.146 0.492 1.00 0.00 N ATOM 576 CA PHE A 47 5.345 -4.897 1.754 1.00 0.00 C ATOM 577 C PHE A 47 4.404 -4.330 2.821 1.00 0.00 C ATOM 578 O PHE A 47 4.677 -4.398 4.004 1.00 0.00 O ATOM 579 CB PHE A 47 6.417 -3.869 1.383 1.00 0.00 C ATOM 580 CG PHE A 47 7.250 -3.552 2.602 1.00 0.00 C ATOM 581 CD1 PHE A 47 8.371 -4.352 2.919 1.00 0.00 C ATOM 582 CD2 PHE A 47 6.907 -2.457 3.426 1.00 0.00 C ATOM 583 CE1 PHE A 47 9.149 -4.054 4.061 1.00 0.00 C ATOM 584 CE2 PHE A 47 7.684 -2.161 4.567 1.00 0.00 C ATOM 585 CZ PHE A 47 8.806 -2.960 4.885 1.00 0.00 C ATOM 0 H PHE A 47 4.925 -4.625 -0.320 1.00 0.00 H new ATOM 0 HA PHE A 47 5.780 -5.808 2.164 1.00 0.00 H new ATOM 0 HB2 PHE A 47 7.051 -4.259 0.587 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.950 -2.961 1.002 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.633 -5.190 2.290 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.050 -1.846 3.183 1.00 0.00 H new ATOM 0 HE1 PHE A 47 10.007 -4.664 4.303 1.00 0.00 H new ATOM 0 HE2 PHE A 47 7.421 -1.324 5.197 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.401 -2.734 5.758 1.00 0.00 H new ATOM 595 N LEU A 48 3.296 -3.772 2.412 1.00 0.00 N ATOM 596 CA LEU A 48 2.336 -3.204 3.400 1.00 0.00 C ATOM 597 C LEU A 48 1.742 -4.323 4.260 1.00 0.00 C ATOM 598 O LEU A 48 1.890 -4.337 5.466 1.00 0.00 O ATOM 599 CB LEU A 48 1.251 -2.529 2.549 1.00 0.00 C ATOM 600 CG LEU A 48 0.453 -1.520 3.388 1.00 0.00 C ATOM 601 CD1 LEU A 48 -0.382 -2.262 4.432 1.00 0.00 C ATOM 602 CD2 LEU A 48 1.403 -0.546 4.092 1.00 0.00 C ATOM 0 H LEU A 48 3.015 -3.685 1.435 1.00 0.00 H new ATOM 0 HA LEU A 48 2.807 -2.500 4.086 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.710 -2.022 1.701 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.578 -3.284 2.142 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.206 -0.958 2.726 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.946 -1.542 5.025 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.073 -2.940 3.931 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.277 -2.833 5.086 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.824 0.164 4.683 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.074 -1.102 4.747 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.988 -0.006 3.347 1.00 0.00 H new ATOM 614 N ARG A 49 1.072 -5.264 3.653 1.00 0.00 N ATOM 615 CA ARG A 49 0.477 -6.376 4.450 1.00 0.00 C ATOM 616 C ARG A 49 1.555 -7.041 5.309 1.00 0.00 C ATOM 617 O ARG A 49 1.282 -7.563 6.370 1.00 0.00 O ATOM 618 CB ARG A 49 -0.082 -7.363 3.420 1.00 0.00 C ATOM 619 CG ARG A 49 1.008 -7.734 2.411 1.00 0.00 C ATOM 620 CD ARG A 49 0.622 -9.031 1.693 1.00 0.00 C ATOM 621 NE ARG A 49 1.810 -9.379 0.866 1.00 0.00 N ATOM 622 CZ ARG A 49 1.823 -10.484 0.171 1.00 0.00 C ATOM 623 NH1 ARG A 49 0.869 -10.725 -0.687 1.00 0.00 N ATOM 624 NH2 ARG A 49 2.790 -11.344 0.331 1.00 0.00 N ATOM 0 H ARG A 49 0.911 -5.312 2.647 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.300 -6.025 5.129 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.446 -8.260 3.922 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.933 -6.920 2.903 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.136 -6.930 1.687 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.963 -7.859 2.921 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.391 -9.823 2.405 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.264 -8.891 1.073 1.00 0.00 H new ATOM 0 HE ARG A 49 2.615 -8.753 0.842 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.115 -10.050 -0.814 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.878 -11.588 -1.231 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.537 -11.153 0.999 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.800 -12.207 -0.212 1.00 0.00 H new ATOM 638 N GLU A 50 2.780 -7.019 4.859 1.00 0.00 N ATOM 639 CA GLU A 50 3.877 -7.645 5.653 1.00 0.00 C ATOM 640 C GLU A 50 4.448 -6.634 6.650 1.00 0.00 C ATOM 641 O GLU A 50 4.979 -6.995 7.681 1.00 0.00 O ATOM 642 CB GLU A 50 4.935 -8.040 4.624 1.00 0.00 C ATOM 643 CG GLU A 50 4.705 -9.487 4.183 1.00 0.00 C ATOM 644 CD GLU A 50 5.955 -10.011 3.475 1.00 0.00 C ATOM 645 OE1 GLU A 50 6.501 -9.280 2.666 1.00 0.00 O ATOM 646 OE2 GLU A 50 6.344 -11.133 3.756 1.00 0.00 O ATOM 0 H GLU A 50 3.069 -6.595 3.977 1.00 0.00 H new ATOM 0 HA GLU A 50 3.532 -8.502 6.231 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.886 -7.374 3.762 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.932 -7.934 5.053 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.476 -10.110 5.048 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.846 -9.542 3.515 1.00 0.00 H new ATOM 653 N TYR A 51 4.342 -5.370 6.350 1.00 0.00 N ATOM 654 CA TYR A 51 4.876 -4.331 7.277 1.00 0.00 C ATOM 655 C TYR A 51 4.256 -4.499 8.671 1.00 0.00 C ATOM 656 O TYR A 51 4.954 -4.575 9.664 1.00 0.00 O ATOM 657 CB TYR A 51 4.468 -2.994 6.636 1.00 0.00 C ATOM 658 CG TYR A 51 4.585 -1.864 7.636 1.00 0.00 C ATOM 659 CD1 TYR A 51 3.480 -1.530 8.447 1.00 0.00 C ATOM 660 CD2 TYR A 51 5.794 -1.142 7.756 1.00 0.00 C ATOM 661 CE1 TYR A 51 3.579 -0.477 9.381 1.00 0.00 C ATOM 662 CE2 TYR A 51 5.897 -0.088 8.690 1.00 0.00 C ATOM 663 CZ TYR A 51 4.788 0.246 9.504 1.00 0.00 C ATOM 664 OH TYR A 51 4.888 1.277 10.415 1.00 0.00 O ATOM 0 H TYR A 51 3.907 -5.010 5.501 1.00 0.00 H new ATOM 0 HA TYR A 51 5.955 -4.397 7.414 1.00 0.00 H new ATOM 0 HB2 TYR A 51 5.102 -2.790 5.773 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.443 -3.058 6.270 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.556 -2.082 8.353 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.639 -1.396 7.133 1.00 0.00 H new ATOM 0 HE1 TYR A 51 2.732 -0.223 10.001 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.821 0.463 8.783 1.00 0.00 H new ATOM 0 HH TYR A 51 4.306 2.015 10.139 1.00 0.00 H new ATOM 674 N PHE A 52 2.955 -4.547 8.757 1.00 0.00 N ATOM 675 CA PHE A 52 2.307 -4.698 10.093 1.00 0.00 C ATOM 676 C PHE A 52 2.268 -6.170 10.515 1.00 0.00 C ATOM 677 O PHE A 52 2.318 -6.489 11.686 1.00 0.00 O ATOM 678 CB PHE A 52 0.894 -4.149 9.913 1.00 0.00 C ATOM 679 CG PHE A 52 0.536 -3.295 11.107 1.00 0.00 C ATOM 680 CD1 PHE A 52 0.104 -3.902 12.306 1.00 0.00 C ATOM 681 CD2 PHE A 52 0.632 -1.889 11.020 1.00 0.00 C ATOM 682 CE1 PHE A 52 -0.228 -3.103 13.423 1.00 0.00 C ATOM 683 CE2 PHE A 52 0.299 -1.087 12.136 1.00 0.00 C ATOM 684 CZ PHE A 52 -0.132 -1.695 13.337 1.00 0.00 C ATOM 0 H PHE A 52 2.315 -4.489 7.965 1.00 0.00 H new ATOM 0 HA PHE A 52 2.854 -4.169 10.873 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.834 -3.559 8.998 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.183 -4.969 9.811 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.027 -4.977 12.370 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.960 -1.426 10.101 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.555 -3.567 14.342 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.374 -0.012 12.071 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.388 -1.084 14.190 1.00 0.00 H new ATOM 694 N GLU A 53 2.177 -7.070 9.575 1.00 0.00 N ATOM 695 CA GLU A 53 2.133 -8.519 9.936 1.00 0.00 C ATOM 696 C GLU A 53 3.332 -8.881 10.817 1.00 0.00 C ATOM 697 O GLU A 53 3.185 -9.483 11.863 1.00 0.00 O ATOM 698 CB GLU A 53 2.203 -9.264 8.603 1.00 0.00 C ATOM 699 CG GLU A 53 2.201 -10.772 8.860 1.00 0.00 C ATOM 700 CD GLU A 53 1.584 -11.490 7.659 1.00 0.00 C ATOM 701 OE1 GLU A 53 0.797 -10.871 6.963 1.00 0.00 O ATOM 702 OE2 GLU A 53 1.909 -12.650 7.457 1.00 0.00 O ATOM 0 H GLU A 53 2.131 -6.868 8.576 1.00 0.00 H new ATOM 0 HA GLU A 53 1.236 -8.776 10.499 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.354 -8.990 7.976 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.105 -8.978 8.061 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.219 -11.125 9.026 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.634 -10.998 9.763 1.00 0.00 H new ATOM 709 N LYS A 54 4.516 -8.525 10.403 1.00 0.00 N ATOM 710 CA LYS A 54 5.723 -8.853 11.217 1.00 0.00 C ATOM 711 C LYS A 54 5.819 -7.920 12.427 1.00 0.00 C ATOM 712 O LYS A 54 6.156 -8.337 13.518 1.00 0.00 O ATOM 713 CB LYS A 54 6.907 -8.632 10.277 1.00 0.00 C ATOM 714 CG LYS A 54 7.905 -9.781 10.431 1.00 0.00 C ATOM 715 CD LYS A 54 7.628 -10.844 9.366 1.00 0.00 C ATOM 716 CE LYS A 54 8.527 -12.058 9.609 1.00 0.00 C ATOM 717 NZ LYS A 54 9.170 -12.330 8.293 1.00 0.00 N ATOM 0 H LYS A 54 4.702 -8.021 9.536 1.00 0.00 H new ATOM 0 HA LYS A 54 5.693 -9.871 11.604 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.560 -8.574 9.245 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.392 -7.683 10.504 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.924 -9.407 10.331 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.822 -10.218 11.426 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.580 -11.142 9.399 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.812 -10.435 8.373 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.272 -11.850 10.377 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.948 -12.916 9.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.803 -13.151 8.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.437 -12.531 7.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.720 -11.498 7.997 1.00 0.00 H new ATOM 731 N LEU A 55 5.528 -6.660 12.245 1.00 0.00 N ATOM 732 CA LEU A 55 5.608 -5.702 13.386 1.00 0.00 C ATOM 733 C LEU A 55 4.824 -6.237 14.589 1.00 0.00 C ATOM 734 O LEU A 55 5.177 -5.996 15.727 1.00 0.00 O ATOM 735 CB LEU A 55 4.973 -4.412 12.863 1.00 0.00 C ATOM 736 CG LEU A 55 6.054 -3.343 12.706 1.00 0.00 C ATOM 737 CD1 LEU A 55 6.912 -3.656 11.477 1.00 0.00 C ATOM 738 CD2 LEU A 55 5.392 -1.972 12.528 1.00 0.00 C ATOM 0 H LEU A 55 5.238 -6.252 11.356 1.00 0.00 H new ATOM 0 HA LEU A 55 6.633 -5.547 13.722 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.485 -4.596 11.906 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.202 -4.067 13.552 1.00 0.00 H new ATOM 0 HG LEU A 55 6.685 -3.333 13.595 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.682 -2.893 11.367 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.383 -4.631 11.601 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.283 -3.667 10.587 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.162 -1.208 12.416 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.761 -1.985 11.639 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.782 -1.746 13.402 1.00 0.00 H new ATOM 750 N GLU A 56 3.763 -6.957 14.349 1.00 0.00 N ATOM 751 CA GLU A 56 2.963 -7.502 15.483 1.00 0.00 C ATOM 752 C GLU A 56 3.774 -8.551 16.247 1.00 0.00 C ATOM 753 O GLU A 56 3.823 -8.551 17.460 1.00 0.00 O ATOM 754 CB GLU A 56 1.737 -8.142 14.829 1.00 0.00 C ATOM 755 CG GLU A 56 0.805 -7.045 14.312 1.00 0.00 C ATOM 756 CD GLU A 56 0.119 -6.356 15.494 1.00 0.00 C ATOM 757 OE1 GLU A 56 -0.850 -6.903 15.992 1.00 0.00 O ATOM 758 OE2 GLU A 56 0.576 -5.293 15.883 1.00 0.00 O ATOM 0 H GLU A 56 3.416 -7.191 13.419 1.00 0.00 H new ATOM 0 HA GLU A 56 2.686 -6.731 16.202 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.046 -8.789 14.008 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.213 -8.770 15.550 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.371 -6.316 13.732 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.058 -7.473 13.644 1.00 0.00 H new ATOM 765 N LYS A 57 4.409 -9.446 15.543 1.00 0.00 N ATOM 766 CA LYS A 57 5.218 -10.496 16.227 1.00 0.00 C ATOM 767 C LYS A 57 6.658 -10.014 16.419 1.00 0.00 C ATOM 768 O LYS A 57 7.584 -10.546 15.840 1.00 0.00 O ATOM 769 CB LYS A 57 5.176 -11.703 15.288 1.00 0.00 C ATOM 770 CG LYS A 57 3.903 -12.510 15.553 1.00 0.00 C ATOM 771 CD LYS A 57 3.562 -13.345 14.318 1.00 0.00 C ATOM 772 CE LYS A 57 2.622 -14.486 14.718 1.00 0.00 C ATOM 773 NZ LYS A 57 1.373 -14.246 13.942 1.00 0.00 N ATOM 0 H LYS A 57 4.404 -9.497 14.524 1.00 0.00 H new ATOM 0 HA LYS A 57 4.830 -10.736 17.217 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.200 -11.371 14.250 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.055 -12.329 15.443 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.045 -13.160 16.417 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.077 -11.839 15.791 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.090 -12.719 13.561 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.473 -13.748 13.875 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.055 -15.457 14.478 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.428 -14.480 15.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.679 -14.988 14.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.979 -13.317 14.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.588 -14.264 12.925 1.00 0.00 H new ATOM 787 N GLU A 58 6.854 -9.009 17.229 1.00 0.00 N ATOM 788 CA GLU A 58 8.236 -8.495 17.456 1.00 0.00 C ATOM 789 C GLU A 58 8.982 -9.400 18.440 1.00 0.00 C ATOM 790 O GLU A 58 9.937 -10.064 18.087 1.00 0.00 O ATOM 791 CB GLU A 58 8.048 -7.098 18.050 1.00 0.00 C ATOM 792 CG GLU A 58 9.415 -6.440 18.254 1.00 0.00 C ATOM 793 CD GLU A 58 9.255 -5.183 19.110 1.00 0.00 C ATOM 794 OE1 GLU A 58 8.561 -5.256 20.110 1.00 0.00 O ATOM 795 OE2 GLU A 58 9.828 -4.169 18.751 1.00 0.00 O ATOM 0 H GLU A 58 6.119 -8.522 17.742 1.00 0.00 H new ATOM 0 HA GLU A 58 8.823 -8.472 16.538 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.435 -6.489 17.386 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.519 -7.164 19.001 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.097 -7.138 18.739 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.854 -6.183 17.290 1.00 0.00 H new ATOM 922 N CYS B 16 12.671 12.164 1.472 1.00 0.00 N ATOM 923 CA CYS B 16 11.729 11.605 2.483 1.00 0.00 C ATOM 924 C CYS B 16 10.570 12.578 2.726 1.00 0.00 C ATOM 925 O CYS B 16 9.458 12.175 2.998 1.00 0.00 O ATOM 926 CB CYS B 16 12.565 11.436 3.753 1.00 0.00 C ATOM 927 SG CYS B 16 11.529 10.767 5.078 1.00 0.00 S ATOM 0 HA CYS B 16 11.287 10.663 2.158 1.00 0.00 H new ATOM 0 HB2 CYS B 16 13.404 10.768 3.562 1.00 0.00 H new ATOM 0 HB3 CYS B 16 12.984 12.396 4.055 1.00 0.00 H new ATOM 932 N GLU B 17 10.824 13.854 2.629 1.00 0.00 N ATOM 933 CA GLU B 17 9.735 14.848 2.854 1.00 0.00 C ATOM 934 C GLU B 17 8.674 14.724 1.756 1.00 0.00 C ATOM 935 O GLU B 17 7.489 14.705 2.023 1.00 0.00 O ATOM 936 CB GLU B 17 10.421 16.212 2.787 1.00 0.00 C ATOM 937 CG GLU B 17 9.441 17.299 3.233 1.00 0.00 C ATOM 938 CD GLU B 17 10.205 18.595 3.513 1.00 0.00 C ATOM 939 OE1 GLU B 17 10.927 18.633 4.494 1.00 0.00 O ATOM 940 OE2 GLU B 17 10.056 19.525 2.738 1.00 0.00 O ATOM 0 H GLU B 17 11.736 14.251 2.404 1.00 0.00 H new ATOM 0 HA GLU B 17 9.227 14.696 3.806 1.00 0.00 H new ATOM 0 HB2 GLU B 17 11.304 16.219 3.427 1.00 0.00 H new ATOM 0 HB3 GLU B 17 10.762 16.410 1.771 1.00 0.00 H new ATOM 0 HG2 GLU B 17 8.691 17.467 2.460 1.00 0.00 H new ATOM 0 HG3 GLU B 17 8.909 16.978 4.128 1.00 0.00 H new ATOM 947 N LEU B 18 9.090 14.641 0.522 1.00 0.00 N ATOM 948 CA LEU B 18 8.106 14.518 -0.593 1.00 0.00 C ATOM 949 C LEU B 18 7.669 13.058 -0.766 1.00 0.00 C ATOM 950 O LEU B 18 6.730 12.764 -1.479 1.00 0.00 O ATOM 951 CB LEU B 18 8.850 15.007 -1.835 1.00 0.00 C ATOM 952 CG LEU B 18 8.014 16.076 -2.542 1.00 0.00 C ATOM 953 CD1 LEU B 18 8.237 17.431 -1.869 1.00 0.00 C ATOM 954 CD2 LEU B 18 8.432 16.162 -4.012 1.00 0.00 C ATOM 0 H LEU B 18 10.069 14.653 0.237 1.00 0.00 H new ATOM 0 HA LEU B 18 7.201 15.095 -0.406 1.00 0.00 H new ATOM 0 HB2 LEU B 18 9.820 15.416 -1.553 1.00 0.00 H new ATOM 0 HB3 LEU B 18 9.040 14.173 -2.510 1.00 0.00 H new ATOM 0 HG LEU B 18 6.959 15.810 -2.478 1.00 0.00 H new ATOM 0 HD11 LEU B 18 7.641 18.191 -2.374 1.00 0.00 H new ATOM 0 HD12 LEU B 18 7.938 17.371 -0.823 1.00 0.00 H new ATOM 0 HD13 LEU B 18 9.292 17.698 -1.930 1.00 0.00 H new ATOM 0 HD21 LEU B 18 7.836 16.923 -4.516 1.00 0.00 H new ATOM 0 HD22 LEU B 18 9.488 16.426 -4.075 1.00 0.00 H new ATOM 0 HD23 LEU B 18 8.270 15.198 -4.493 1.00 0.00 H new ATOM 966 N TYR B 19 8.340 12.138 -0.123 1.00 0.00 N ATOM 967 CA TYR B 19 7.956 10.702 -0.261 1.00 0.00 C ATOM 968 C TYR B 19 6.916 10.322 0.800 1.00 0.00 C ATOM 969 O TYR B 19 6.682 9.158 1.060 1.00 0.00 O ATOM 970 CB TYR B 19 9.254 9.929 -0.031 1.00 0.00 C ATOM 971 CG TYR B 19 9.178 8.594 -0.734 1.00 0.00 C ATOM 972 CD1 TYR B 19 9.538 8.491 -2.097 1.00 0.00 C ATOM 973 CD2 TYR B 19 8.749 7.449 -0.028 1.00 0.00 C ATOM 974 CE1 TYR B 19 9.469 7.243 -2.752 1.00 0.00 C ATOM 975 CE2 TYR B 19 8.677 6.199 -0.686 1.00 0.00 C ATOM 976 CZ TYR B 19 9.038 6.096 -2.048 1.00 0.00 C ATOM 977 OH TYR B 19 8.970 4.877 -2.690 1.00 0.00 O ATOM 0 H TYR B 19 9.135 12.318 0.490 1.00 0.00 H new ATOM 0 HA TYR B 19 7.511 10.486 -1.232 1.00 0.00 H new ATOM 0 HB2 TYR B 19 10.102 10.502 -0.407 1.00 0.00 H new ATOM 0 HB3 TYR B 19 9.417 9.781 1.037 1.00 0.00 H new ATOM 0 HD1 TYR B 19 9.866 9.367 -2.637 1.00 0.00 H new ATOM 0 HD2 TYR B 19 8.476 7.528 1.014 1.00 0.00 H new ATOM 0 HE1 TYR B 19 9.746 7.164 -3.793 1.00 0.00 H new ATOM 0 HE2 TYR B 19 8.346 5.323 -0.147 1.00 0.00 H new ATOM 0 HH TYR B 19 8.656 4.194 -2.062 1.00 0.00 H new ATOM 987 N VAL B 20 6.289 11.289 1.411 1.00 0.00 N ATOM 988 CA VAL B 20 5.268 10.976 2.450 1.00 0.00 C ATOM 989 C VAL B 20 4.096 10.200 1.816 1.00 0.00 C ATOM 990 O VAL B 20 4.272 9.096 1.343 1.00 0.00 O ATOM 991 CB VAL B 20 4.825 12.336 3.016 1.00 0.00 C ATOM 992 CG1 VAL B 20 5.960 12.938 3.847 1.00 0.00 C ATOM 993 CG2 VAL B 20 4.467 13.299 1.877 1.00 0.00 C ATOM 0 H VAL B 20 6.440 12.282 1.236 1.00 0.00 H new ATOM 0 HA VAL B 20 5.658 10.341 3.246 1.00 0.00 H new ATOM 0 HB VAL B 20 3.946 12.185 3.642 1.00 0.00 H new ATOM 0 HG11 VAL B 20 5.646 13.902 4.248 1.00 0.00 H new ATOM 0 HG12 VAL B 20 6.205 12.266 4.669 1.00 0.00 H new ATOM 0 HG13 VAL B 20 6.839 13.076 3.217 1.00 0.00 H new ATOM 0 HG21 VAL B 20 4.156 14.257 2.294 1.00 0.00 H new ATOM 0 HG22 VAL B 20 5.338 13.447 1.239 1.00 0.00 H new ATOM 0 HG23 VAL B 20 3.653 12.878 1.287 1.00 0.00 H new ATOM 1003 N GLN B 21 2.909 10.751 1.799 1.00 0.00 N ATOM 1004 CA GLN B 21 1.761 10.015 1.194 1.00 0.00 C ATOM 1005 C GLN B 21 1.638 10.348 -0.296 1.00 0.00 C ATOM 1006 O GLN B 21 1.398 9.485 -1.114 1.00 0.00 O ATOM 1007 CB GLN B 21 0.530 10.504 1.955 1.00 0.00 C ATOM 1008 CG GLN B 21 -0.012 9.376 2.834 1.00 0.00 C ATOM 1009 CD GLN B 21 -1.018 9.948 3.834 1.00 0.00 C ATOM 1010 OE1 GLN B 21 -0.731 10.051 5.010 1.00 0.00 O ATOM 1011 NE2 GLN B 21 -2.195 10.327 3.414 1.00 0.00 N ATOM 0 H GLN B 21 2.687 11.673 2.176 1.00 0.00 H new ATOM 0 HA GLN B 21 1.883 8.934 1.266 1.00 0.00 H new ATOM 0 HB2 GLN B 21 0.789 11.366 2.570 1.00 0.00 H new ATOM 0 HB3 GLN B 21 -0.237 10.832 1.253 1.00 0.00 H new ATOM 0 HG2 GLN B 21 -0.490 8.616 2.216 1.00 0.00 H new ATOM 0 HG3 GLN B 21 0.806 8.888 3.364 1.00 0.00 H new ATOM 0 HE21 GLN B 21 -2.436 10.241 2.427 1.00 0.00 H new ATOM 0 HE22 GLN B 21 -2.873 10.709 4.073 1.00 0.00 H new ATOM 1020 N LYS B 22 1.796 11.594 -0.650 1.00 0.00 N ATOM 1021 CA LYS B 22 1.686 11.979 -2.087 1.00 0.00 C ATOM 1022 C LYS B 22 2.883 11.435 -2.871 1.00 0.00 C ATOM 1023 O LYS B 22 3.665 12.182 -3.428 1.00 0.00 O ATOM 1024 CB LYS B 22 1.692 13.507 -2.086 1.00 0.00 C ATOM 1025 CG LYS B 22 0.781 14.024 -3.201 1.00 0.00 C ATOM 1026 CD LYS B 22 0.730 15.554 -3.151 1.00 0.00 C ATOM 1027 CE LYS B 22 0.365 16.102 -4.533 1.00 0.00 C ATOM 1028 NZ LYS B 22 1.646 16.619 -5.092 1.00 0.00 N ATOM 0 H LYS B 22 1.996 12.361 -0.008 1.00 0.00 H new ATOM 0 HA LYS B 22 0.790 11.576 -2.558 1.00 0.00 H new ATOM 0 HB2 LYS B 22 1.351 13.882 -1.121 1.00 0.00 H new ATOM 0 HB3 LYS B 22 2.707 13.877 -2.231 1.00 0.00 H new ATOM 0 HG2 LYS B 22 1.152 13.693 -4.171 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -0.222 13.612 -3.086 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -0.004 15.879 -2.414 1.00 0.00 H new ATOM 0 HD3 LYS B 22 1.695 15.950 -2.835 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -0.057 15.323 -5.168 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -0.382 16.893 -4.460 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 1.478 17.012 -6.040 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 2.021 17.364 -4.470 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 2.335 15.843 -5.156 1.00 0.00 H new ATOM 1042 N HIS B 23 3.032 10.140 -2.917 1.00 0.00 N ATOM 1043 CA HIS B 23 4.181 9.548 -3.662 1.00 0.00 C ATOM 1044 C HIS B 23 4.012 8.029 -3.776 1.00 0.00 C ATOM 1045 O HIS B 23 4.344 7.434 -4.782 1.00 0.00 O ATOM 1046 CB HIS B 23 5.412 9.890 -2.823 1.00 0.00 C ATOM 1047 CG HIS B 23 6.636 9.874 -3.696 1.00 0.00 C ATOM 1048 ND1 HIS B 23 7.483 10.966 -3.796 1.00 0.00 N ATOM 1049 CD2 HIS B 23 7.172 8.909 -4.512 1.00 0.00 C ATOM 1050 CE1 HIS B 23 8.473 10.635 -4.645 1.00 0.00 C ATOM 1051 NE2 HIS B 23 8.331 9.391 -5.111 1.00 0.00 N ATOM 0 H HIS B 23 2.409 9.466 -2.472 1.00 0.00 H new ATOM 0 HA HIS B 23 4.259 9.935 -4.678 1.00 0.00 H new ATOM 0 HB2 HIS B 23 5.292 10.872 -2.366 1.00 0.00 H new ATOM 0 HB3 HIS B 23 5.522 9.171 -2.011 1.00 0.00 H new ATOM 0 HD1 HIS B 23 7.376 11.858 -3.314 1.00 0.00 H new ATOM 0 HD2 HIS B 23 6.756 7.924 -4.666 1.00 0.00 H new ATOM 0 HE1 HIS B 23 9.284 11.295 -4.917 1.00 0.00 H new ATOM 1059 N ASN B 24 3.505 7.397 -2.752 1.00 0.00 N ATOM 1060 CA ASN B 24 3.325 5.919 -2.804 1.00 0.00 C ATOM 1061 C ASN B 24 2.266 5.467 -1.794 1.00 0.00 C ATOM 1062 O ASN B 24 1.413 4.656 -2.095 1.00 0.00 O ATOM 1063 CB ASN B 24 4.691 5.346 -2.430 1.00 0.00 C ATOM 1064 CG ASN B 24 4.905 4.016 -3.154 1.00 0.00 C ATOM 1065 OD1 ASN B 24 3.879 3.247 -3.397 1.00 0.00 O flip ATOM 1066 ND2 ASN B 24 6.017 3.671 -3.500 1.00 0.00 N flip ATOM 0 H ASN B 24 3.208 7.840 -1.883 1.00 0.00 H new ATOM 0 HA ASN B 24 2.987 5.583 -3.784 1.00 0.00 H new ATOM 0 HB2 ASN B 24 5.478 6.050 -2.701 1.00 0.00 H new ATOM 0 HB3 ASN B 24 4.752 5.199 -1.352 1.00 0.00 H new ATOM 0 HD21 ASN B 24 6.819 4.272 -3.310 1.00 0.00 H new ATOM 0 HD22 ASN B 24 6.148 2.781 -3.980 1.00 0.00 H new ATOM 1073 N ILE B 25 2.322 5.979 -0.598 1.00 0.00 N ATOM 1074 CA ILE B 25 1.324 5.576 0.438 1.00 0.00 C ATOM 1075 C ILE B 25 -0.026 6.265 0.197 1.00 0.00 C ATOM 1076 O ILE B 25 -0.967 6.074 0.943 1.00 0.00 O ATOM 1077 CB ILE B 25 1.937 6.030 1.766 1.00 0.00 C ATOM 1078 CG1 ILE B 25 3.193 5.205 2.054 1.00 0.00 C ATOM 1079 CG2 ILE B 25 0.929 5.826 2.901 1.00 0.00 C ATOM 1080 CD1 ILE B 25 4.165 6.030 2.900 1.00 0.00 C ATOM 0 H ILE B 25 3.016 6.660 -0.289 1.00 0.00 H new ATOM 0 HA ILE B 25 1.125 4.504 0.420 1.00 0.00 H new ATOM 0 HB ILE B 25 2.196 7.087 1.698 1.00 0.00 H new ATOM 0 HG12 ILE B 25 2.926 4.288 2.579 1.00 0.00 H new ATOM 0 HG13 ILE B 25 3.669 4.910 1.119 1.00 0.00 H new ATOM 0 HG21 ILE B 25 1.371 6.151 3.843 1.00 0.00 H new ATOM 0 HG22 ILE B 25 0.032 6.411 2.700 1.00 0.00 H new ATOM 0 HG23 ILE B 25 0.666 4.770 2.969 1.00 0.00 H new ATOM 0 HD11 ILE B 25 5.059 5.441 3.105 1.00 0.00 H new ATOM 0 HD12 ILE B 25 4.442 6.934 2.358 1.00 0.00 H new ATOM 0 HD13 ILE B 25 3.687 6.303 3.841 1.00 0.00 H new ATOM 1092 N GLN B 26 -0.139 7.063 -0.832 1.00 0.00 N ATOM 1093 CA GLN B 26 -1.438 7.750 -1.097 1.00 0.00 C ATOM 1094 C GLN B 26 -2.563 6.719 -1.241 1.00 0.00 C ATOM 1095 O GLN B 26 -3.692 6.967 -0.869 1.00 0.00 O ATOM 1096 CB GLN B 26 -1.232 8.506 -2.411 1.00 0.00 C ATOM 1097 CG GLN B 26 -1.380 10.008 -2.159 1.00 0.00 C ATOM 1098 CD GLN B 26 -1.373 10.754 -3.494 1.00 0.00 C ATOM 1099 OE1 GLN B 26 -0.565 10.472 -4.357 1.00 0.00 O ATOM 1100 NE2 GLN B 26 -2.244 11.703 -3.700 1.00 0.00 N ATOM 0 H GLN B 26 0.607 7.268 -1.497 1.00 0.00 H new ATOM 0 HA GLN B 26 -1.722 8.419 -0.285 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -0.244 8.289 -2.817 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -1.961 8.176 -3.152 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -2.308 10.208 -1.624 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -0.566 10.363 -1.528 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -2.922 11.939 -2.975 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -2.247 12.209 -4.586 1.00 0.00 H new ATOM 1109 N ALA B 27 -2.262 5.564 -1.771 1.00 0.00 N ATOM 1110 CA ALA B 27 -3.318 4.521 -1.929 1.00 0.00 C ATOM 1111 C ALA B 27 -3.633 3.883 -0.575 1.00 0.00 C ATOM 1112 O ALA B 27 -4.777 3.676 -0.224 1.00 0.00 O ATOM 1113 CB ALA B 27 -2.715 3.486 -2.881 1.00 0.00 C ATOM 0 H ALA B 27 -1.334 5.298 -2.101 1.00 0.00 H new ATOM 0 HA ALA B 27 -4.251 4.932 -2.313 1.00 0.00 H new ATOM 0 HB1 ALA B 27 -3.433 2.683 -3.048 1.00 0.00 H new ATOM 0 HB2 ALA B 27 -2.475 3.962 -3.832 1.00 0.00 H new ATOM 0 HB3 ALA B 27 -1.806 3.074 -2.442 1.00 0.00 H new ATOM 1119 N LEU B 28 -2.621 3.570 0.189 1.00 0.00 N ATOM 1120 CA LEU B 28 -2.855 2.949 1.526 1.00 0.00 C ATOM 1121 C LEU B 28 -3.846 3.792 2.334 1.00 0.00 C ATOM 1122 O LEU B 28 -4.794 3.282 2.895 1.00 0.00 O ATOM 1123 CB LEU B 28 -1.477 2.939 2.197 1.00 0.00 C ATOM 1124 CG LEU B 28 -1.608 2.516 3.663 1.00 0.00 C ATOM 1125 CD1 LEU B 28 -2.001 1.040 3.740 1.00 0.00 C ATOM 1126 CD2 LEU B 28 -0.271 2.727 4.375 1.00 0.00 C ATOM 0 H LEU B 28 -1.642 3.717 -0.055 1.00 0.00 H new ATOM 0 HA LEU B 28 -3.281 1.948 1.453 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -0.813 2.254 1.671 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -1.027 3.930 2.135 1.00 0.00 H new ATOM 0 HG LEU B 28 -2.377 3.119 4.146 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -2.093 0.742 4.784 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -2.955 0.891 3.234 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -1.235 0.434 3.256 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -0.363 2.426 5.419 1.00 0.00 H new ATOM 0 HD22 LEU B 28 0.498 2.125 3.891 1.00 0.00 H new ATOM 0 HD23 LEU B 28 0.006 3.780 4.324 1.00 0.00 H new ATOM 1138 N LEU B 29 -3.626 5.076 2.405 1.00 0.00 N ATOM 1139 CA LEU B 29 -4.548 5.953 3.184 1.00 0.00 C ATOM 1140 C LEU B 29 -5.856 6.170 2.421 1.00 0.00 C ATOM 1141 O LEU B 29 -6.903 6.366 3.009 1.00 0.00 O ATOM 1142 CB LEU B 29 -3.792 7.274 3.338 1.00 0.00 C ATOM 1143 CG LEU B 29 -2.981 7.254 4.633 1.00 0.00 C ATOM 1144 CD1 LEU B 29 -3.924 7.101 5.828 1.00 0.00 C ATOM 1145 CD2 LEU B 29 -1.999 6.079 4.605 1.00 0.00 C ATOM 0 H LEU B 29 -2.846 5.557 1.957 1.00 0.00 H new ATOM 0 HA LEU B 29 -4.817 5.517 4.146 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -3.130 7.427 2.485 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -4.495 8.107 3.350 1.00 0.00 H new ATOM 0 HG LEU B 29 -2.427 8.188 4.726 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -3.343 7.087 6.750 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -4.621 7.939 5.851 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -4.480 6.168 5.735 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -1.421 6.066 5.529 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -2.552 5.145 4.509 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -1.324 6.189 3.756 1.00 0.00 H new ATOM 1157 N LYS B 30 -5.807 6.146 1.118 1.00 0.00 N ATOM 1158 CA LYS B 30 -7.050 6.358 0.313 1.00 0.00 C ATOM 1159 C LYS B 30 -8.193 5.481 0.840 1.00 0.00 C ATOM 1160 O LYS B 30 -9.094 5.950 1.504 1.00 0.00 O ATOM 1161 CB LYS B 30 -6.675 5.948 -1.111 1.00 0.00 C ATOM 1162 CG LYS B 30 -6.590 7.194 -1.996 1.00 0.00 C ATOM 1163 CD LYS B 30 -6.749 6.791 -3.465 1.00 0.00 C ATOM 1164 CE LYS B 30 -8.221 6.484 -3.756 1.00 0.00 C ATOM 1165 NZ LYS B 30 -8.212 5.747 -5.050 1.00 0.00 N ATOM 0 H LYS B 30 -4.960 5.989 0.572 1.00 0.00 H new ATOM 0 HA LYS B 30 -7.398 7.390 0.366 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -5.719 5.424 -1.110 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -7.417 5.256 -1.509 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -7.368 7.905 -1.717 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -5.633 7.694 -1.847 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -6.399 7.595 -4.113 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -6.135 5.917 -3.682 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -8.663 5.882 -2.962 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -8.809 7.399 -3.827 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -9.187 5.502 -5.317 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -7.792 6.347 -5.788 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -7.651 4.877 -4.950 1.00 0.00 H new ATOM 1179 N ASP B 31 -8.162 4.210 0.543 1.00 0.00 N ATOM 1180 CA ASP B 31 -9.248 3.305 1.021 1.00 0.00 C ATOM 1181 C ASP B 31 -9.251 3.232 2.552 1.00 0.00 C ATOM 1182 O ASP B 31 -10.291 3.191 3.176 1.00 0.00 O ATOM 1183 CB ASP B 31 -8.915 1.938 0.420 1.00 0.00 C ATOM 1184 CG ASP B 31 -10.209 1.174 0.135 1.00 0.00 C ATOM 1185 OD1 ASP B 31 -11.123 1.275 0.938 1.00 0.00 O ATOM 1186 OD2 ASP B 31 -10.266 0.503 -0.881 1.00 0.00 O ATOM 0 H ASP B 31 -7.433 3.759 -0.009 1.00 0.00 H new ATOM 0 HA ASP B 31 -10.236 3.655 0.722 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -8.345 2.063 -0.500 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -8.289 1.370 1.108 1.00 0.00 H new ATOM 1191 N SER B 32 -8.096 3.213 3.158 1.00 0.00 N ATOM 1192 CA SER B 32 -8.037 3.136 4.646 1.00 0.00 C ATOM 1193 C SER B 32 -8.864 4.262 5.275 1.00 0.00 C ATOM 1194 O SER B 32 -9.729 4.024 6.096 1.00 0.00 O ATOM 1195 CB SER B 32 -6.559 3.310 4.993 1.00 0.00 C ATOM 1196 OG SER B 32 -5.866 2.099 4.715 1.00 0.00 O ATOM 0 H SER B 32 -7.191 3.247 2.688 1.00 0.00 H new ATOM 0 HA SER B 32 -8.442 2.196 5.022 1.00 0.00 H new ATOM 0 HB2 SER B 32 -6.131 4.129 4.414 1.00 0.00 H new ATOM 0 HB3 SER B 32 -6.449 3.572 6.045 1.00 0.00 H new ATOM 0 HG SER B 32 -6.288 1.648 3.954 1.00 0.00 H new ATOM 1202 N ILE B 33 -8.603 5.484 4.899 1.00 0.00 N ATOM 1203 CA ILE B 33 -9.372 6.622 5.481 1.00 0.00 C ATOM 1204 C ILE B 33 -10.872 6.437 5.233 1.00 0.00 C ATOM 1205 O ILE B 33 -11.697 6.840 6.029 1.00 0.00 O ATOM 1206 CB ILE B 33 -8.854 7.865 4.751 1.00 0.00 C ATOM 1207 CG1 ILE B 33 -7.381 8.089 5.110 1.00 0.00 C ATOM 1208 CG2 ILE B 33 -9.668 9.089 5.174 1.00 0.00 C ATOM 1209 CD1 ILE B 33 -6.764 9.086 4.126 1.00 0.00 C ATOM 0 H ILE B 33 -7.892 5.744 4.215 1.00 0.00 H new ATOM 0 HA ILE B 33 -9.240 6.698 6.560 1.00 0.00 H new ATOM 0 HB ILE B 33 -8.953 7.718 3.675 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -7.297 8.467 6.129 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -6.839 7.144 5.075 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -9.296 9.971 4.653 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -10.717 8.933 4.922 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -9.572 9.236 6.250 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -5.716 9.247 4.380 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -6.835 8.689 3.113 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -7.300 10.033 4.183 1.00 0.00 H new ATOM 1221 N VAL B 34 -11.234 5.833 4.131 1.00 0.00 N ATOM 1222 CA VAL B 34 -12.682 5.630 3.835 1.00 0.00 C ATOM 1223 C VAL B 34 -13.245 4.447 4.634 1.00 0.00 C ATOM 1224 O VAL B 34 -14.437 4.224 4.666 1.00 0.00 O ATOM 1225 CB VAL B 34 -12.742 5.339 2.337 1.00 0.00 C ATOM 1226 CG1 VAL B 34 -14.198 5.144 1.912 1.00 0.00 C ATOM 1227 CG2 VAL B 34 -12.142 6.517 1.566 1.00 0.00 C ATOM 0 H VAL B 34 -10.591 5.473 3.426 1.00 0.00 H new ATOM 0 HA VAL B 34 -13.277 6.500 4.111 1.00 0.00 H new ATOM 0 HB VAL B 34 -12.176 4.433 2.120 1.00 0.00 H new ATOM 0 HG11 VAL B 34 -14.240 4.936 0.843 1.00 0.00 H new ATOM 0 HG12 VAL B 34 -14.628 4.307 2.462 1.00 0.00 H new ATOM 0 HG13 VAL B 34 -14.765 6.050 2.128 1.00 0.00 H new ATOM 0 HG21 VAL B 34 -12.184 6.311 0.496 1.00 0.00 H new ATOM 0 HG22 VAL B 34 -12.710 7.422 1.784 1.00 0.00 H new ATOM 0 HG23 VAL B 34 -11.104 6.659 1.868 1.00 0.00 H new ATOM 1237 N GLN B 35 -12.399 3.682 5.274 1.00 0.00 N ATOM 1238 CA GLN B 35 -12.904 2.518 6.061 1.00 0.00 C ATOM 1239 C GLN B 35 -12.543 2.676 7.540 1.00 0.00 C ATOM 1240 O GLN B 35 -13.302 2.308 8.416 1.00 0.00 O ATOM 1241 CB GLN B 35 -12.194 1.303 5.463 1.00 0.00 C ATOM 1242 CG GLN B 35 -13.173 0.510 4.597 1.00 0.00 C ATOM 1243 CD GLN B 35 -12.404 -0.525 3.775 1.00 0.00 C ATOM 1244 OE1 GLN B 35 -12.707 -0.749 2.621 1.00 0.00 O ATOM 1245 NE2 GLN B 35 -11.411 -1.167 4.325 1.00 0.00 N ATOM 0 H GLN B 35 -11.387 3.811 5.286 1.00 0.00 H new ATOM 0 HA GLN B 35 -13.989 2.426 6.011 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -11.342 1.626 4.864 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -11.802 0.670 6.259 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -13.912 0.014 5.226 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -13.718 1.184 3.935 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -11.157 -0.979 5.295 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -10.889 -1.857 3.786 1.00 0.00 H new ATOM 1254 N LEU B 36 -11.391 3.218 7.826 1.00 0.00 N ATOM 1255 CA LEU B 36 -10.983 3.393 9.250 1.00 0.00 C ATOM 1256 C LEU B 36 -11.755 4.554 9.887 1.00 0.00 C ATOM 1257 O LEU B 36 -11.997 4.571 11.077 1.00 0.00 O ATOM 1258 CB LEU B 36 -9.488 3.710 9.199 1.00 0.00 C ATOM 1259 CG LEU B 36 -8.687 2.406 9.197 1.00 0.00 C ATOM 1260 CD1 LEU B 36 -8.974 1.623 10.479 1.00 0.00 C ATOM 1261 CD2 LEU B 36 -9.090 1.561 7.985 1.00 0.00 C ATOM 0 H LEU B 36 -10.715 3.547 7.137 1.00 0.00 H new ATOM 0 HA LEU B 36 -11.193 2.507 9.849 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -9.259 4.291 8.305 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -9.206 4.321 10.057 1.00 0.00 H new ATOM 0 HG LEU B 36 -7.623 2.637 9.144 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -8.402 0.695 10.474 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -8.687 2.222 11.343 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -10.038 1.393 10.534 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -8.520 0.632 7.983 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -10.155 1.333 8.038 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -8.883 2.116 7.070 1.00 0.00 H new ATOM 1273 N CYS B 37 -12.142 5.524 9.105 1.00 0.00 N ATOM 1274 CA CYS B 37 -12.894 6.680 9.671 1.00 0.00 C ATOM 1275 C CYS B 37 -14.112 6.186 10.458 1.00 0.00 C ATOM 1276 O CYS B 37 -14.505 6.777 11.446 1.00 0.00 O ATOM 1277 CB CYS B 37 -13.334 7.500 8.459 1.00 0.00 C ATOM 1278 SG CYS B 37 -12.127 8.813 8.153 1.00 0.00 S ATOM 0 H CYS B 37 -11.971 5.566 8.100 1.00 0.00 H new ATOM 0 HA CYS B 37 -12.288 7.268 10.361 1.00 0.00 H new ATOM 0 HB2 CYS B 37 -13.419 6.857 7.583 1.00 0.00 H new ATOM 0 HB3 CYS B 37 -14.320 7.931 8.636 1.00 0.00 H new ATOM 1283 N THR B 38 -14.712 5.108 10.032 1.00 0.00 N ATOM 1284 CA THR B 38 -15.902 4.581 10.759 1.00 0.00 C ATOM 1285 C THR B 38 -15.488 4.006 12.118 1.00 0.00 C ATOM 1286 O THR B 38 -16.312 3.777 12.981 1.00 0.00 O ATOM 1287 CB THR B 38 -16.458 3.477 9.857 1.00 0.00 C ATOM 1288 OG1 THR B 38 -16.603 3.977 8.536 1.00 0.00 O ATOM 1289 CG2 THR B 38 -17.819 3.021 10.383 1.00 0.00 C ATOM 0 H THR B 38 -14.430 4.570 9.213 1.00 0.00 H new ATOM 0 HA THR B 38 -16.640 5.358 10.958 1.00 0.00 H new ATOM 0 HB THR B 38 -15.771 2.631 9.854 1.00 0.00 H new ATOM 0 HG1 THR B 38 -16.957 3.271 7.956 1.00 0.00 H new ATOM 0 HG21 THR B 38 -18.213 2.235 9.739 1.00 0.00 H new ATOM 0 HG22 THR B 38 -17.707 2.637 11.397 1.00 0.00 H new ATOM 0 HG23 THR B 38 -18.508 3.865 10.388 1.00 0.00 H new ATOM 1297 N ALA B 39 -14.218 3.766 12.318 1.00 0.00 N ATOM 1298 CA ALA B 39 -13.762 3.206 13.622 1.00 0.00 C ATOM 1299 C ALA B 39 -14.538 1.925 13.948 1.00 0.00 C ATOM 1300 O ALA B 39 -14.652 1.527 15.089 1.00 0.00 O ATOM 1301 CB ALA B 39 -14.067 4.293 14.652 1.00 0.00 C ATOM 0 H ALA B 39 -13.479 3.934 11.635 1.00 0.00 H new ATOM 0 HA ALA B 39 -12.704 2.943 13.610 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -13.758 3.954 15.641 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -13.523 5.202 14.394 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -15.137 4.500 14.657 1.00 0.00 H new ATOM 1307 N ARG B 40 -15.070 1.279 12.948 1.00 0.00 N ATOM 1308 CA ARG B 40 -15.839 0.025 13.191 1.00 0.00 C ATOM 1309 C ARG B 40 -14.961 -1.024 13.887 1.00 0.00 C ATOM 1310 O ARG B 40 -15.302 -1.504 14.949 1.00 0.00 O ATOM 1311 CB ARG B 40 -16.256 -0.462 11.801 1.00 0.00 C ATOM 1312 CG ARG B 40 -17.736 -0.151 11.574 1.00 0.00 C ATOM 1313 CD ARG B 40 -18.586 -1.319 12.077 1.00 0.00 C ATOM 1314 NE ARG B 40 -18.680 -2.251 10.920 1.00 0.00 N ATOM 1315 CZ ARG B 40 -19.054 -3.487 11.106 1.00 0.00 C ATOM 1316 NH1 ARG B 40 -20.315 -3.763 11.299 1.00 0.00 N ATOM 1317 NH2 ARG B 40 -18.170 -4.446 11.101 1.00 0.00 N ATOM 0 H ARG B 40 -15.006 1.565 11.971 1.00 0.00 H new ATOM 0 HA ARG B 40 -16.697 0.194 13.841 1.00 0.00 H new ATOM 0 HB2 ARG B 40 -15.650 0.024 11.037 1.00 0.00 H new ATOM 0 HB3 ARG B 40 -16.081 -1.534 11.712 1.00 0.00 H new ATOM 0 HG2 ARG B 40 -18.011 0.765 12.098 1.00 0.00 H new ATOM 0 HG3 ARG B 40 -17.924 0.020 10.514 1.00 0.00 H new ATOM 0 HD2 ARG B 40 -18.123 -1.803 12.937 1.00 0.00 H new ATOM 0 HD3 ARG B 40 -19.573 -0.982 12.394 1.00 0.00 H new ATOM 0 HE ARG B 40 -18.452 -1.923 9.981 1.00 0.00 H new ATOM 0 HH11 ARG B 40 -21.006 -3.013 11.304 1.00 0.00 H new ATOM 0 HH12 ARG B 40 -20.609 -4.729 11.445 1.00 0.00 H new ATOM 0 HH21 ARG B 40 -17.184 -4.230 10.952 1.00 0.00 H new ATOM 0 HH22 ARG B 40 -18.464 -5.412 11.247 1.00 0.00 H new ATOM 1331 N PRO B 41 -13.856 -1.354 13.262 1.00 0.00 N ATOM 1332 CA PRO B 41 -12.934 -2.365 13.837 1.00 0.00 C ATOM 1333 C PRO B 41 -12.196 -1.797 15.052 1.00 0.00 C ATOM 1334 O PRO B 41 -11.290 -0.997 14.923 1.00 0.00 O ATOM 1335 CB PRO B 41 -11.964 -2.659 12.696 1.00 0.00 C ATOM 1336 CG PRO B 41 -11.994 -1.436 11.837 1.00 0.00 C ATOM 1337 CD PRO B 41 -13.365 -0.829 11.982 1.00 0.00 C ATOM 0 HA PRO B 41 -13.450 -3.258 14.191 1.00 0.00 H new ATOM 0 HB2 PRO B 41 -10.959 -2.852 13.072 1.00 0.00 H new ATOM 0 HB3 PRO B 41 -12.270 -3.542 12.136 1.00 0.00 H new ATOM 0 HG2 PRO B 41 -11.225 -0.729 12.146 1.00 0.00 H new ATOM 0 HG3 PRO B 41 -11.793 -1.691 10.796 1.00 0.00 H new ATOM 0 HD2 PRO B 41 -13.320 0.260 11.989 1.00 0.00 H new ATOM 0 HD3 PRO B 41 -14.017 -1.116 11.157 1.00 0.00 H new ATOM 1345 N GLU B 42 -12.573 -2.211 16.230 1.00 0.00 N ATOM 1346 CA GLU B 42 -11.890 -1.701 17.454 1.00 0.00 C ATOM 1347 C GLU B 42 -10.428 -2.155 17.472 1.00 0.00 C ATOM 1348 O GLU B 42 -9.595 -1.572 18.139 1.00 0.00 O ATOM 1349 CB GLU B 42 -12.659 -2.319 18.625 1.00 0.00 C ATOM 1350 CG GLU B 42 -12.686 -3.842 18.472 1.00 0.00 C ATOM 1351 CD GLU B 42 -12.320 -4.495 19.806 1.00 0.00 C ATOM 1352 OE1 GLU B 42 -11.186 -4.339 20.228 1.00 0.00 O ATOM 1353 OE2 GLU B 42 -13.180 -5.141 20.381 1.00 0.00 O ATOM 0 H GLU B 42 -13.324 -2.880 16.399 1.00 0.00 H new ATOM 0 HA GLU B 42 -11.885 -0.612 17.500 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -12.186 -2.046 19.569 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -13.676 -1.928 18.653 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -13.676 -4.169 18.154 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -11.984 -4.153 17.698 1.00 0.00 H new ATOM 1360 N ARG B 43 -10.108 -3.188 16.740 1.00 0.00 N ATOM 1361 CA ARG B 43 -8.699 -3.677 16.712 1.00 0.00 C ATOM 1362 C ARG B 43 -8.126 -3.547 15.294 1.00 0.00 C ATOM 1363 O ARG B 43 -7.889 -4.538 14.632 1.00 0.00 O ATOM 1364 CB ARG B 43 -8.783 -5.146 17.124 1.00 0.00 C ATOM 1365 CG ARG B 43 -8.557 -5.263 18.633 1.00 0.00 C ATOM 1366 CD ARG B 43 -8.931 -6.673 19.097 1.00 0.00 C ATOM 1367 NE ARG B 43 -8.418 -6.766 20.491 1.00 0.00 N ATOM 1368 CZ ARG B 43 -7.464 -7.607 20.783 1.00 0.00 C ATOM 1369 NH1 ARG B 43 -7.592 -8.870 20.475 1.00 0.00 N ATOM 1370 NH2 ARG B 43 -6.384 -7.188 21.382 1.00 0.00 N ATOM 0 H ARG B 43 -10.761 -3.715 16.160 1.00 0.00 H new ATOM 0 HA ARG B 43 -8.047 -3.106 17.373 1.00 0.00 H new ATOM 0 HB2 ARG B 43 -9.758 -5.555 16.858 1.00 0.00 H new ATOM 0 HB3 ARG B 43 -8.035 -5.729 16.587 1.00 0.00 H new ATOM 0 HG2 ARG B 43 -7.514 -5.054 18.873 1.00 0.00 H new ATOM 0 HG3 ARG B 43 -9.159 -4.523 19.160 1.00 0.00 H new ATOM 0 HD2 ARG B 43 -10.009 -6.827 19.062 1.00 0.00 H new ATOM 0 HD3 ARG B 43 -8.479 -7.432 18.458 1.00 0.00 H new ATOM 0 HE ARG B 43 -8.813 -6.171 21.219 1.00 0.00 H new ATOM 0 HH11 ARG B 43 -8.437 -9.198 20.007 1.00 0.00 H new ATOM 0 HH12 ARG B 43 -6.847 -9.528 20.703 1.00 0.00 H new ATOM 0 HH21 ARG B 43 -6.284 -6.202 21.623 1.00 0.00 H new ATOM 0 HH22 ARG B 43 -5.639 -7.846 21.610 1.00 0.00 H new ATOM 1384 N PRO B 44 -7.925 -2.323 14.870 1.00 0.00 N ATOM 1385 CA PRO B 44 -7.377 -2.073 13.513 1.00 0.00 C ATOM 1386 C PRO B 44 -5.886 -2.426 13.452 1.00 0.00 C ATOM 1387 O PRO B 44 -5.309 -2.524 12.389 1.00 0.00 O ATOM 1388 CB PRO B 44 -7.585 -0.575 13.312 1.00 0.00 C ATOM 1389 CG PRO B 44 -7.632 0.000 14.693 1.00 0.00 C ATOM 1390 CD PRO B 44 -8.183 -1.071 15.598 1.00 0.00 C ATOM 0 HA PRO B 44 -7.860 -2.677 12.745 1.00 0.00 H new ATOM 0 HB2 PRO B 44 -6.773 -0.139 12.731 1.00 0.00 H new ATOM 0 HB3 PRO B 44 -8.509 -0.374 12.770 1.00 0.00 H new ATOM 0 HG2 PRO B 44 -6.637 0.305 15.018 1.00 0.00 H new ATOM 0 HG3 PRO B 44 -8.262 0.889 14.719 1.00 0.00 H new ATOM 0 HD2 PRO B 44 -7.688 -1.065 16.569 1.00 0.00 H new ATOM 0 HD3 PRO B 44 -9.248 -0.929 15.782 1.00 0.00 H new ATOM 1398 N MET B 45 -5.257 -2.618 14.583 1.00 0.00 N ATOM 1399 CA MET B 45 -3.804 -2.961 14.582 1.00 0.00 C ATOM 1400 C MET B 45 -3.530 -4.125 13.621 1.00 0.00 C ATOM 1401 O MET B 45 -2.756 -4.006 12.693 1.00 0.00 O ATOM 1402 CB MET B 45 -3.492 -3.371 16.021 1.00 0.00 C ATOM 1403 CG MET B 45 -3.262 -2.119 16.871 1.00 0.00 C ATOM 1404 SD MET B 45 -2.453 -2.582 18.421 1.00 0.00 S ATOM 1405 CE MET B 45 -2.486 -0.946 19.195 1.00 0.00 C ATOM 0 H MET B 45 -5.686 -2.552 15.506 1.00 0.00 H new ATOM 0 HA MET B 45 -3.186 -2.126 14.251 1.00 0.00 H new ATOM 0 HB2 MET B 45 -4.316 -3.955 16.431 1.00 0.00 H new ATOM 0 HB3 MET B 45 -2.607 -4.007 16.045 1.00 0.00 H new ATOM 0 HG2 MET B 45 -2.645 -1.405 16.326 1.00 0.00 H new ATOM 0 HG3 MET B 45 -4.212 -1.627 17.077 1.00 0.00 H new ATOM 0 HE1 MET B 45 -2.027 -1.001 20.182 1.00 0.00 H new ATOM 0 HE2 MET B 45 -1.933 -0.240 18.576 1.00 0.00 H new ATOM 0 HE3 MET B 45 -3.518 -0.611 19.293 1.00 0.00 H new ATOM 1415 N ALA B 46 -4.160 -5.247 13.837 1.00 0.00 N ATOM 1416 CA ALA B 46 -3.936 -6.412 12.934 1.00 0.00 C ATOM 1417 C ALA B 46 -4.674 -6.204 11.609 1.00 0.00 C ATOM 1418 O ALA B 46 -4.312 -6.758 10.591 1.00 0.00 O ATOM 1419 CB ALA B 46 -4.509 -7.613 13.686 1.00 0.00 C ATOM 0 H ALA B 46 -4.819 -5.408 14.598 1.00 0.00 H new ATOM 0 HA ALA B 46 -2.882 -6.550 12.691 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -4.382 -8.513 13.085 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -3.984 -7.733 14.634 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -5.570 -7.451 13.876 1.00 0.00 H new ATOM 1425 N PHE B 47 -5.706 -5.404 11.615 1.00 0.00 N ATOM 1426 CA PHE B 47 -6.461 -5.159 10.354 1.00 0.00 C ATOM 1427 C PHE B 47 -5.537 -4.538 9.303 1.00 0.00 C ATOM 1428 O PHE B 47 -5.802 -4.593 8.118 1.00 0.00 O ATOM 1429 CB PHE B 47 -7.570 -4.179 10.741 1.00 0.00 C ATOM 1430 CG PHE B 47 -8.410 -3.869 9.526 1.00 0.00 C ATOM 1431 CD1 PHE B 47 -9.498 -4.704 9.187 1.00 0.00 C ATOM 1432 CD2 PHE B 47 -8.108 -2.745 8.726 1.00 0.00 C ATOM 1433 CE1 PHE B 47 -10.283 -4.416 8.049 1.00 0.00 C ATOM 1434 CE2 PHE B 47 -8.893 -2.455 7.587 1.00 0.00 C ATOM 1435 CZ PHE B 47 -9.980 -3.291 7.248 1.00 0.00 C ATOM 0 H PHE B 47 -6.058 -4.911 12.436 1.00 0.00 H new ATOM 0 HA PHE B 47 -6.862 -6.077 9.924 1.00 0.00 H new ATOM 0 HB2 PHE B 47 -8.192 -4.608 11.527 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -7.137 -3.262 11.141 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -9.730 -5.563 9.799 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -7.276 -2.106 8.985 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -11.115 -5.055 7.791 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -8.662 -1.595 6.976 1.00 0.00 H new ATOM 0 HZ PHE B 47 -10.580 -3.071 6.377 1.00 0.00 H new ATOM 1445 N LEU B 48 -4.454 -3.948 9.728 1.00 0.00 N ATOM 1446 CA LEU B 48 -3.512 -3.323 8.756 1.00 0.00 C ATOM 1447 C LEU B 48 -2.875 -4.400 7.875 1.00 0.00 C ATOM 1448 O LEU B 48 -3.021 -4.394 6.667 1.00 0.00 O ATOM 1449 CB LEU B 48 -2.456 -2.632 9.630 1.00 0.00 C ATOM 1450 CG LEU B 48 -1.683 -1.579 8.821 1.00 0.00 C ATOM 1451 CD1 LEU B 48 -0.816 -2.272 7.770 1.00 0.00 C ATOM 1452 CD2 LEU B 48 -2.664 -0.623 8.131 1.00 0.00 C ATOM 0 H LEU B 48 -4.180 -3.871 10.708 1.00 0.00 H new ATOM 0 HA LEU B 48 -4.005 -2.621 8.083 1.00 0.00 H new ATOM 0 HB2 LEU B 48 -2.938 -2.158 10.485 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -1.763 -3.374 10.026 1.00 0.00 H new ATOM 0 HG LEU B 48 -1.046 -1.009 9.497 1.00 0.00 H new ATOM 0 HD11 LEU B 48 -0.269 -1.523 7.198 1.00 0.00 H new ATOM 0 HD12 LEU B 48 -0.109 -2.939 8.264 1.00 0.00 H new ATOM 0 HD13 LEU B 48 -1.451 -2.849 7.098 1.00 0.00 H new ATOM 0 HD21 LEU B 48 -2.107 0.120 7.560 1.00 0.00 H new ATOM 0 HD22 LEU B 48 -3.310 -1.188 7.459 1.00 0.00 H new ATOM 0 HD23 LEU B 48 -3.273 -0.121 8.883 1.00 0.00 H new ATOM 1464 N ARG B 49 -2.169 -5.327 8.461 1.00 0.00 N ATOM 1465 CA ARG B 49 -1.530 -6.398 7.644 1.00 0.00 C ATOM 1466 C ARG B 49 -2.580 -7.085 6.768 1.00 0.00 C ATOM 1467 O ARG B 49 -2.286 -7.571 5.695 1.00 0.00 O ATOM 1468 CB ARG B 49 -0.938 -7.385 8.656 1.00 0.00 C ATOM 1469 CG ARG B 49 -2.016 -7.818 9.654 1.00 0.00 C ATOM 1470 CD ARG B 49 -1.581 -9.110 10.349 1.00 0.00 C ATOM 1471 NE ARG B 49 -2.758 -9.522 11.163 1.00 0.00 N ATOM 1472 CZ ARG B 49 -2.731 -10.640 11.835 1.00 0.00 C ATOM 1473 NH1 ARG B 49 -1.773 -10.862 12.693 1.00 0.00 N ATOM 1474 NH2 ARG B 49 -3.665 -11.533 11.653 1.00 0.00 N ATOM 0 H ARG B 49 -2.007 -5.390 9.466 1.00 0.00 H new ATOM 0 HA ARG B 49 -0.764 -6.004 6.976 1.00 0.00 H new ATOM 0 HB2 ARG B 49 -0.540 -8.257 8.137 1.00 0.00 H new ATOM 0 HB3 ARG B 49 -0.105 -6.921 9.185 1.00 0.00 H new ATOM 0 HG2 ARG B 49 -2.179 -7.033 10.392 1.00 0.00 H new ATOM 0 HG3 ARG B 49 -2.964 -7.972 9.138 1.00 0.00 H new ATOM 0 HD2 ARG B 49 -1.314 -9.878 9.623 1.00 0.00 H new ATOM 0 HD3 ARG B 49 -0.705 -8.946 10.976 1.00 0.00 H new ATOM 0 HE ARG B 49 -3.587 -8.929 11.195 1.00 0.00 H new ATOM 0 HH11 ARG B 49 -1.046 -10.162 12.838 1.00 0.00 H new ATOM 0 HH12 ARG B 49 -1.751 -11.736 13.219 1.00 0.00 H new ATOM 0 HH21 ARG B 49 -4.416 -11.357 10.986 1.00 0.00 H new ATOM 0 HH22 ARG B 49 -3.644 -12.407 12.178 1.00 0.00 H new ATOM 1488 N GLU B 50 -3.806 -7.120 7.214 1.00 0.00 N ATOM 1489 CA GLU B 50 -4.876 -7.771 6.404 1.00 0.00 C ATOM 1490 C GLU B 50 -5.483 -6.762 5.427 1.00 0.00 C ATOM 1491 O GLU B 50 -6.001 -7.121 4.388 1.00 0.00 O ATOM 1492 CB GLU B 50 -5.922 -8.227 7.424 1.00 0.00 C ATOM 1493 CG GLU B 50 -5.635 -9.673 7.836 1.00 0.00 C ATOM 1494 CD GLU B 50 -6.868 -10.258 8.528 1.00 0.00 C ATOM 1495 OE1 GLU B 50 -7.443 -9.568 9.353 1.00 0.00 O ATOM 1496 OE2 GLU B 50 -7.215 -11.387 8.220 1.00 0.00 O ATOM 0 H GLU B 50 -4.113 -6.726 8.103 1.00 0.00 H new ATOM 0 HA GLU B 50 -4.498 -8.602 5.809 1.00 0.00 H new ATOM 0 HB2 GLU B 50 -5.900 -7.577 8.299 1.00 0.00 H new ATOM 0 HB3 GLU B 50 -6.921 -8.151 6.995 1.00 0.00 H new ATOM 0 HG2 GLU B 50 -5.379 -10.269 6.960 1.00 0.00 H new ATOM 0 HG3 GLU B 50 -4.777 -9.708 8.507 1.00 0.00 H new ATOM 1503 N TYR B 51 -5.423 -5.500 5.754 1.00 0.00 N ATOM 1504 CA TYR B 51 -5.994 -4.463 4.847 1.00 0.00 C ATOM 1505 C TYR B 51 -5.366 -4.579 3.450 1.00 0.00 C ATOM 1506 O TYR B 51 -6.059 -4.656 2.455 1.00 0.00 O ATOM 1507 CB TYR B 51 -5.638 -3.126 5.518 1.00 0.00 C ATOM 1508 CG TYR B 51 -5.793 -1.980 4.540 1.00 0.00 C ATOM 1509 CD1 TYR B 51 -4.698 -1.590 3.737 1.00 0.00 C ATOM 1510 CD2 TYR B 51 -7.027 -1.303 4.429 1.00 0.00 C ATOM 1511 CE1 TYR B 51 -4.836 -0.524 2.823 1.00 0.00 C ATOM 1512 CE2 TYR B 51 -7.166 -0.235 3.515 1.00 0.00 C ATOM 1513 CZ TYR B 51 -6.070 0.156 2.712 1.00 0.00 C ATOM 1514 OH TYR B 51 -6.206 1.199 1.819 1.00 0.00 O ATOM 0 H TYR B 51 -5.003 -5.141 6.611 1.00 0.00 H new ATOM 0 HA TYR B 51 -7.070 -4.567 4.705 1.00 0.00 H new ATOM 0 HB2 TYR B 51 -6.283 -2.964 6.382 1.00 0.00 H new ATOM 0 HB3 TYR B 51 -4.613 -3.160 5.887 1.00 0.00 H new ATOM 0 HD1 TYR B 51 -3.754 -2.108 3.823 1.00 0.00 H new ATOM 0 HD2 TYR B 51 -7.864 -1.602 5.043 1.00 0.00 H new ATOM 0 HE1 TYR B 51 -3.999 -0.228 2.208 1.00 0.00 H new ATOM 0 HE2 TYR B 51 -8.110 0.283 3.430 1.00 0.00 H new ATOM 0 HH TYR B 51 -5.606 1.930 2.076 1.00 0.00 H new ATOM 1524 N PHE B 52 -4.063 -4.581 3.366 1.00 0.00 N ATOM 1525 CA PHE B 52 -3.409 -4.679 2.029 1.00 0.00 C ATOM 1526 C PHE B 52 -3.312 -6.140 1.579 1.00 0.00 C ATOM 1527 O PHE B 52 -3.350 -6.437 0.401 1.00 0.00 O ATOM 1528 CB PHE B 52 -2.020 -4.081 2.222 1.00 0.00 C ATOM 1529 CG PHE B 52 -1.690 -3.190 1.049 1.00 0.00 C ATOM 1530 CD1 PHE B 52 -1.224 -3.754 -0.160 1.00 0.00 C ATOM 1531 CD2 PHE B 52 -1.847 -1.791 1.159 1.00 0.00 C ATOM 1532 CE1 PHE B 52 -0.917 -2.919 -1.257 1.00 0.00 C ATOM 1533 CE2 PHE B 52 -1.540 -0.955 0.063 1.00 0.00 C ATOM 1534 CZ PHE B 52 -1.074 -1.520 -1.147 1.00 0.00 C ATOM 0 H PHE B 52 -3.426 -4.519 4.160 1.00 0.00 H new ATOM 0 HA PHE B 52 -3.975 -4.155 1.259 1.00 0.00 H new ATOM 0 HB2 PHE B 52 -1.984 -3.509 3.149 1.00 0.00 H new ATOM 0 HB3 PHE B 52 -1.279 -4.876 2.309 1.00 0.00 H new ATOM 0 HD1 PHE B 52 -1.103 -4.824 -0.245 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -2.203 -1.360 2.083 1.00 0.00 H new ATOM 0 HE1 PHE B 52 -0.562 -3.351 -2.181 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -1.661 0.115 0.149 1.00 0.00 H new ATOM 0 HZ PHE B 52 -0.838 -0.882 -1.986 1.00 0.00 H new ATOM 1544 N GLU B 53 -3.186 -7.053 2.502 1.00 0.00 N ATOM 1545 CA GLU B 53 -3.085 -8.491 2.113 1.00 0.00 C ATOM 1546 C GLU B 53 -4.266 -8.883 1.221 1.00 0.00 C ATOM 1547 O GLU B 53 -4.095 -9.460 0.166 1.00 0.00 O ATOM 1548 CB GLU B 53 -3.130 -9.264 3.431 1.00 0.00 C ATOM 1549 CG GLU B 53 -3.072 -10.766 3.145 1.00 0.00 C ATOM 1550 CD GLU B 53 -2.431 -11.487 4.332 1.00 0.00 C ATOM 1551 OE1 GLU B 53 -1.669 -10.851 5.044 1.00 0.00 O ATOM 1552 OE2 GLU B 53 -2.712 -12.660 4.511 1.00 0.00 O ATOM 0 H GLU B 53 -3.149 -6.869 3.505 1.00 0.00 H new ATOM 0 HA GLU B 53 -2.177 -8.702 1.548 1.00 0.00 H new ATOM 0 HB2 GLU B 53 -2.293 -8.971 4.065 1.00 0.00 H new ATOM 0 HB3 GLU B 53 -4.043 -9.022 3.976 1.00 0.00 H new ATOM 0 HG2 GLU B 53 -4.076 -11.153 2.970 1.00 0.00 H new ATOM 0 HG3 GLU B 53 -2.496 -10.952 2.239 1.00 0.00 H new ATOM 1559 N LYS B 54 -5.464 -8.574 1.637 1.00 0.00 N ATOM 1560 CA LYS B 54 -6.655 -8.933 0.812 1.00 0.00 C ATOM 1561 C LYS B 54 -6.784 -7.980 -0.381 1.00 0.00 C ATOM 1562 O LYS B 54 -7.102 -8.387 -1.480 1.00 0.00 O ATOM 1563 CB LYS B 54 -7.849 -8.777 1.754 1.00 0.00 C ATOM 1564 CG LYS B 54 -8.803 -9.958 1.571 1.00 0.00 C ATOM 1565 CD LYS B 54 -8.491 -11.031 2.617 1.00 0.00 C ATOM 1566 CE LYS B 54 -9.341 -12.274 2.344 1.00 0.00 C ATOM 1567 NZ LYS B 54 -9.976 -12.599 3.653 1.00 0.00 N ATOM 0 H LYS B 54 -5.670 -8.089 2.511 1.00 0.00 H new ATOM 0 HA LYS B 54 -6.585 -9.941 0.404 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -7.506 -8.730 2.788 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -8.368 -7.841 1.548 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -9.836 -9.625 1.673 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -8.699 -10.371 0.568 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -7.432 -11.288 2.585 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -8.697 -10.649 3.617 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -10.092 -12.079 1.578 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -8.728 -13.101 1.986 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -10.576 -13.442 3.548 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -9.237 -12.786 4.360 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -10.558 -11.796 3.965 1.00 0.00 H new ATOM 1581 N LEU B 55 -6.542 -6.714 -0.171 1.00 0.00 N ATOM 1582 CA LEU B 55 -6.653 -5.735 -1.292 1.00 0.00 C ATOM 1583 C LEU B 55 -5.847 -6.215 -2.504 1.00 0.00 C ATOM 1584 O LEU B 55 -6.206 -5.967 -3.637 1.00 0.00 O ATOM 1585 CB LEU B 55 -6.070 -4.433 -0.741 1.00 0.00 C ATOM 1586 CG LEU B 55 -7.192 -3.408 -0.567 1.00 0.00 C ATOM 1587 CD1 LEU B 55 -8.041 -3.780 0.651 1.00 0.00 C ATOM 1588 CD2 LEU B 55 -6.583 -2.017 -0.357 1.00 0.00 C ATOM 0 H LEU B 55 -6.272 -6.315 0.728 1.00 0.00 H new ATOM 0 HA LEU B 55 -7.682 -5.611 -1.628 1.00 0.00 H new ATOM 0 HB2 LEU B 55 -5.579 -4.617 0.215 1.00 0.00 H new ATOM 0 HB3 LEU B 55 -5.310 -4.046 -1.420 1.00 0.00 H new ATOM 0 HG LEU B 55 -7.819 -3.402 -1.459 1.00 0.00 H new ATOM 0 HD11 LEU B 55 -8.840 -3.049 0.774 1.00 0.00 H new ATOM 0 HD12 LEU B 55 -8.474 -4.770 0.504 1.00 0.00 H new ATOM 0 HD13 LEU B 55 -7.415 -3.786 1.543 1.00 0.00 H new ATOM 0 HD21 LEU B 55 -7.381 -1.285 -0.233 1.00 0.00 H new ATOM 0 HD22 LEU B 55 -5.956 -2.025 0.535 1.00 0.00 H new ATOM 0 HD23 LEU B 55 -5.978 -1.750 -1.223 1.00 0.00 H new ATOM 1600 N GLU B 56 -4.759 -6.899 -2.273 1.00 0.00 N ATOM 1601 CA GLU B 56 -3.935 -7.392 -3.414 1.00 0.00 C ATOM 1602 C GLU B 56 -4.703 -8.454 -4.203 1.00 0.00 C ATOM 1603 O GLU B 56 -4.751 -8.428 -5.417 1.00 0.00 O ATOM 1604 CB GLU B 56 -2.686 -7.997 -2.771 1.00 0.00 C ATOM 1605 CG GLU B 56 -1.797 -6.877 -2.228 1.00 0.00 C ATOM 1606 CD GLU B 56 -1.134 -6.139 -3.394 1.00 0.00 C ATOM 1607 OE1 GLU B 56 -0.146 -6.640 -3.901 1.00 0.00 O ATOM 1608 OE2 GLU B 56 -1.629 -5.084 -3.760 1.00 0.00 O ATOM 0 H GLU B 56 -4.406 -7.137 -1.346 1.00 0.00 H new ATOM 0 HA GLU B 56 -3.686 -6.596 -4.116 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -2.970 -8.673 -1.965 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -2.137 -8.588 -3.504 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -2.391 -6.182 -1.635 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -1.036 -7.291 -1.566 1.00 0.00 H new ATOM 1615 N LYS B 57 -5.307 -9.387 -3.521 1.00 0.00 N ATOM 1616 CA LYS B 57 -6.073 -10.451 -4.229 1.00 0.00 C ATOM 1617 C LYS B 57 -7.531 -10.021 -4.417 1.00 0.00 C ATOM 1618 O LYS B 57 -8.436 -10.601 -3.853 1.00 0.00 O ATOM 1619 CB LYS B 57 -5.987 -11.676 -3.316 1.00 0.00 C ATOM 1620 CG LYS B 57 -4.684 -12.428 -3.590 1.00 0.00 C ATOM 1621 CD LYS B 57 -4.314 -13.276 -2.371 1.00 0.00 C ATOM 1622 CE LYS B 57 -3.333 -14.372 -2.791 1.00 0.00 C ATOM 1623 NZ LYS B 57 -2.096 -14.101 -2.007 1.00 0.00 N ATOM 0 H LYS B 57 -5.303 -9.459 -2.504 1.00 0.00 H new ATOM 0 HA LYS B 57 -5.674 -10.654 -5.223 1.00 0.00 H new ATOM 0 HB2 LYS B 57 -6.028 -11.367 -2.271 1.00 0.00 H new ATOM 0 HB3 LYS B 57 -6.841 -12.332 -3.489 1.00 0.00 H new ATOM 0 HG2 LYS B 57 -4.797 -13.065 -4.467 1.00 0.00 H new ATOM 0 HG3 LYS B 57 -3.884 -11.721 -3.810 1.00 0.00 H new ATOM 0 HD2 LYS B 57 -3.866 -12.648 -1.600 1.00 0.00 H new ATOM 0 HD3 LYS B 57 -5.210 -13.721 -1.939 1.00 0.00 H new ATOM 0 HE2 LYS B 57 -3.730 -15.363 -2.572 1.00 0.00 H new ATOM 0 HE3 LYS B 57 -3.137 -14.337 -3.863 1.00 0.00 H new ATOM 0 HZ1 LYS B 57 -1.374 -14.812 -2.240 1.00 0.00 H new ATOM 0 HZ2 LYS B 57 -1.737 -13.154 -2.242 1.00 0.00 H new ATOM 0 HZ3 LYS B 57 -2.312 -14.148 -0.991 1.00 0.00 H new ATOM 1637 N GLU B 58 -7.763 -9.007 -5.205 1.00 0.00 N ATOM 1638 CA GLU B 58 -9.164 -8.542 -5.430 1.00 0.00 C ATOM 1639 C GLU B 58 -9.868 -9.455 -6.436 1.00 0.00 C ATOM 1640 O GLU B 58 -10.796 -10.166 -6.101 1.00 0.00 O ATOM 1641 CB GLU B 58 -9.025 -7.127 -5.993 1.00 0.00 C ATOM 1642 CG GLU B 58 -10.414 -6.518 -6.194 1.00 0.00 C ATOM 1643 CD GLU B 58 -10.296 -5.237 -7.020 1.00 0.00 C ATOM 1644 OE1 GLU B 58 -9.594 -5.261 -8.017 1.00 0.00 O ATOM 1645 OE2 GLU B 58 -10.911 -4.252 -6.641 1.00 0.00 O ATOM 0 H GLU B 58 -7.045 -8.480 -5.703 1.00 0.00 H new ATOM 0 HA GLU B 58 -9.758 -8.560 -4.516 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -8.441 -6.509 -5.311 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -8.487 -7.153 -6.941 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -11.065 -7.231 -6.700 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -10.870 -6.300 -5.228 1.00 0.00 H new