USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 760 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 CYS SG : rot 133:sc= -0.562 USER MOD Set 1.2: A 74 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 46 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 64 HIS : no HE2:sc= -0.573 K(o=-0.57,f=-1.4) USER MOD Set 3.1: A 10 HIS : no HE2:sc= -10.8! C(o=-14!,f=-19!) USER MOD Set 3.2: A 13 MET CE :methyl -167:sc= -3.05! (180deg=-3.07!) USER MOD Single : A 9 TYR OH : rot 180:sc= -0.12 USER MOD Single : A 12 HIS : no HD1:sc= -1.07 K(o=-1.1,f=-0.18) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.131 K(o=-0.13,f=-2!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -1.21 K(o=-1.2,f=-2.6!) USER MOD Single : A 25 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0525) USER MOD Single : A 30 THR OG1 : rot 81:sc= 0.975 USER MOD Single : A 36 SER OG : rot -69:sc= 0.16 USER MOD Single : A 49 SER OG : rot -68:sc= 1.23 USER MOD Single : A 51 GLN : amide:sc= -0.2 X(o=-0.2,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -170:sc= -0.0025 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -131:sc= 0.43 USER MOD Single : A 81 THR OG1 : rot 50:sc= 0.0579 USER MOD Single : A 84 SER OG : rot 20:sc= 1.02 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 LYS NZ :NH3+ -124:sc=-0.00475 (180deg=-0.806) USER MOD Single : A 94 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.224) USER MOD Single : A 95 THR OG1 : rot -86:sc= 1.02 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -4.36! C(o=-4.4!,f=-2.8!) USER MOD Single : A 111 TYR OH : rot 30:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : B 12 ASN : amide:sc= -3.14! C(o=-3.1!,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 66 N TRP A 8 3.271 -5.395 -9.916 1.00 0.00 N ATOM 67 CA TRP A 8 3.402 -4.482 -8.787 1.00 0.00 C ATOM 68 C TRP A 8 4.146 -5.146 -7.633 1.00 0.00 C ATOM 69 O TRP A 8 4.982 -4.521 -6.980 1.00 0.00 O ATOM 70 CB TRP A 8 2.022 -4.015 -8.319 1.00 0.00 C ATOM 71 CG TRP A 8 0.934 -5.008 -8.598 1.00 0.00 C ATOM 72 CD1 TRP A 8 0.183 -5.103 -9.735 1.00 0.00 C ATOM 73 CD2 TRP A 8 0.474 -6.043 -7.722 1.00 0.00 C ATOM 74 NE1 TRP A 8 -0.716 -6.135 -9.619 1.00 0.00 N ATOM 75 CE2 TRP A 8 -0.557 -6.729 -8.394 1.00 0.00 C ATOM 76 CE3 TRP A 8 0.834 -6.459 -6.438 1.00 0.00 C ATOM 77 CZ2 TRP A 8 -1.230 -7.805 -7.822 1.00 0.00 C ATOM 78 CZ3 TRP A 8 0.165 -7.528 -5.872 1.00 0.00 C ATOM 79 CH2 TRP A 8 -0.857 -8.191 -6.564 1.00 0.00 C ATOM 0 HA TRP A 8 3.978 -3.617 -9.116 1.00 0.00 H new ATOM 0 HB2 TRP A 8 2.057 -3.816 -7.248 1.00 0.00 H new ATOM 0 HB3 TRP A 8 1.779 -3.073 -8.810 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.282 -4.461 -10.598 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.392 -6.414 -10.330 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.621 -5.954 -5.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -2.019 -8.317 -8.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 0.435 -7.858 -4.880 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.360 -9.023 -6.095 1.00 0.00 H new ATOM 90 N TYR A 9 3.838 -6.414 -7.390 1.00 0.00 N ATOM 91 CA TYR A 9 4.477 -7.163 -6.312 1.00 0.00 C ATOM 92 C TYR A 9 5.948 -6.782 -6.183 1.00 0.00 C ATOM 93 O TYR A 9 6.720 -6.911 -7.133 1.00 0.00 O ATOM 94 CB TYR A 9 4.347 -8.667 -6.562 1.00 0.00 C ATOM 95 CG TYR A 9 4.456 -9.500 -5.305 1.00 0.00 C ATOM 96 CD1 TYR A 9 3.673 -9.220 -4.192 1.00 0.00 C ATOM 97 CD2 TYR A 9 5.344 -10.566 -5.230 1.00 0.00 C ATOM 98 CE1 TYR A 9 3.770 -9.978 -3.042 1.00 0.00 C ATOM 99 CE2 TYR A 9 5.447 -11.330 -4.084 1.00 0.00 C ATOM 100 CZ TYR A 9 4.658 -11.033 -2.993 1.00 0.00 C ATOM 101 OH TYR A 9 4.759 -11.790 -1.848 1.00 0.00 O ATOM 0 H TYR A 9 3.150 -6.946 -7.924 1.00 0.00 H new ATOM 0 HA TYR A 9 3.972 -6.912 -5.379 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.387 -8.866 -7.038 1.00 0.00 H new ATOM 0 HB3 TYR A 9 5.121 -8.979 -7.263 1.00 0.00 H new ATOM 0 HD1 TYR A 9 2.977 -8.395 -4.227 1.00 0.00 H new ATOM 0 HD2 TYR A 9 5.964 -10.801 -6.082 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.154 -9.746 -2.186 1.00 0.00 H new ATOM 0 HE2 TYR A 9 6.142 -12.156 -4.043 1.00 0.00 H new ATOM 0 HH TYR A 9 5.429 -12.493 -1.979 1.00 0.00 H new ATOM 111 N HIS A 10 6.329 -6.313 -4.999 1.00 0.00 N ATOM 112 CA HIS A 10 7.709 -5.915 -4.743 1.00 0.00 C ATOM 113 C HIS A 10 8.425 -6.956 -3.887 1.00 0.00 C ATOM 114 O HIS A 10 9.371 -6.637 -3.168 1.00 0.00 O ATOM 115 CB HIS A 10 7.748 -4.553 -4.049 1.00 0.00 C ATOM 116 CG HIS A 10 7.766 -3.396 -5.001 1.00 0.00 C ATOM 117 ND1 HIS A 10 8.925 -2.762 -5.393 1.00 0.00 N ATOM 118 CD2 HIS A 10 6.757 -2.761 -5.642 1.00 0.00 C ATOM 119 CE1 HIS A 10 8.629 -1.785 -6.231 1.00 0.00 C ATOM 120 NE2 HIS A 10 7.319 -1.764 -6.400 1.00 0.00 N ATOM 0 H HIS A 10 5.702 -6.199 -4.202 1.00 0.00 H new ATOM 0 HA HIS A 10 8.224 -5.842 -5.701 1.00 0.00 H new ATOM 0 HB2 HIS A 10 6.880 -4.462 -3.396 1.00 0.00 H new ATOM 0 HB3 HIS A 10 8.632 -4.504 -3.413 1.00 0.00 H new ATOM 0 HD1 HIS A 10 9.865 -3.009 -5.084 1.00 0.00 H new ATOM 0 HD2 HIS A 10 5.705 -2.995 -5.570 1.00 0.00 H new ATOM 0 HE1 HIS A 10 9.337 -1.117 -6.698 1.00 0.00 H new ATOM 129 N GLY A 11 7.966 -8.201 -3.970 1.00 0.00 N ATOM 130 CA GLY A 11 8.574 -9.268 -3.197 1.00 0.00 C ATOM 131 C GLY A 11 8.649 -8.943 -1.719 1.00 0.00 C ATOM 132 O GLY A 11 7.677 -9.125 -0.985 1.00 0.00 O ATOM 0 H GLY A 11 7.184 -8.490 -4.558 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.001 -10.185 -3.336 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.578 -9.460 -3.575 1.00 0.00 H new ATOM 136 N HIS A 12 9.807 -8.462 -1.278 1.00 0.00 N ATOM 137 CA HIS A 12 10.006 -8.111 0.123 1.00 0.00 C ATOM 138 C HIS A 12 10.277 -6.618 0.277 1.00 0.00 C ATOM 139 O HIS A 12 10.911 -6.001 -0.578 1.00 0.00 O ATOM 140 CB HIS A 12 11.167 -8.915 0.712 1.00 0.00 C ATOM 141 CG HIS A 12 11.217 -8.886 2.208 1.00 0.00 C ATOM 142 ND1 HIS A 12 11.043 -10.008 2.990 1.00 0.00 N ATOM 143 CD2 HIS A 12 11.428 -7.860 3.066 1.00 0.00 C ATOM 144 CE1 HIS A 12 11.141 -9.674 4.264 1.00 0.00 C ATOM 145 NE2 HIS A 12 11.375 -8.376 4.338 1.00 0.00 N ATOM 0 H HIS A 12 10.622 -8.306 -1.871 1.00 0.00 H new ATOM 0 HA HIS A 12 9.092 -8.354 0.666 1.00 0.00 H new ATOM 0 HB2 HIS A 12 11.087 -9.950 0.379 1.00 0.00 H new ATOM 0 HB3 HIS A 12 12.105 -8.525 0.318 1.00 0.00 H new ATOM 0 HD2 HIS A 12 11.605 -6.828 2.800 1.00 0.00 H new ATOM 0 HE1 HIS A 12 11.046 -10.348 5.103 1.00 0.00 H new ATOM 0 HE2 HIS A 12 11.497 -7.844 5.199 1.00 0.00 H new ATOM 154 N MET A 13 9.791 -6.043 1.373 1.00 0.00 N ATOM 155 CA MET A 13 9.981 -4.622 1.638 1.00 0.00 C ATOM 156 C MET A 13 9.441 -4.249 3.015 1.00 0.00 C ATOM 157 O MET A 13 8.560 -4.923 3.550 1.00 0.00 O ATOM 158 CB MET A 13 9.288 -3.783 0.562 1.00 0.00 C ATOM 159 CG MET A 13 9.673 -2.313 0.596 1.00 0.00 C ATOM 160 SD MET A 13 8.808 -1.340 -0.651 1.00 0.00 S ATOM 161 CE MET A 13 9.311 -2.183 -2.148 1.00 0.00 C ATOM 0 H MET A 13 9.263 -6.539 2.091 1.00 0.00 H new ATOM 0 HA MET A 13 11.051 -4.414 1.618 1.00 0.00 H new ATOM 0 HB2 MET A 13 9.532 -4.191 -0.419 1.00 0.00 H new ATOM 0 HB3 MET A 13 8.208 -3.870 0.684 1.00 0.00 H new ATOM 0 HG2 MET A 13 9.455 -1.907 1.584 1.00 0.00 H new ATOM 0 HG3 MET A 13 10.748 -2.219 0.443 1.00 0.00 H new ATOM 0 HE1 MET A 13 9.053 -1.573 -3.013 1.00 0.00 H new ATOM 0 HE2 MET A 13 10.388 -2.348 -2.128 1.00 0.00 H new ATOM 0 HE3 MET A 13 8.799 -3.143 -2.215 1.00 0.00 H new ATOM 171 N SER A 14 9.975 -3.174 3.584 1.00 0.00 N ATOM 172 CA SER A 14 9.551 -2.714 4.901 1.00 0.00 C ATOM 173 C SER A 14 8.868 -1.353 4.808 1.00 0.00 C ATOM 174 O SER A 14 9.295 -0.482 4.050 1.00 0.00 O ATOM 175 CB SER A 14 10.750 -2.632 5.848 1.00 0.00 C ATOM 176 OG SER A 14 11.653 -1.619 5.439 1.00 0.00 O ATOM 0 H SER A 14 10.703 -2.604 3.153 1.00 0.00 H new ATOM 0 HA SER A 14 8.835 -3.434 5.296 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.404 -2.428 6.861 1.00 0.00 H new ATOM 0 HB3 SER A 14 11.264 -3.593 5.874 1.00 0.00 H new ATOM 0 HG SER A 14 12.410 -1.585 6.061 1.00 0.00 H new ATOM 182 N GLY A 15 7.802 -1.178 5.584 1.00 0.00 N ATOM 183 CA GLY A 15 7.076 0.080 5.574 1.00 0.00 C ATOM 184 C GLY A 15 7.996 1.279 5.455 1.00 0.00 C ATOM 185 O GLY A 15 7.601 2.324 4.939 1.00 0.00 O ATOM 0 H GLY A 15 7.428 -1.884 6.219 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.371 0.083 4.743 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.490 0.165 6.489 1.00 0.00 H new ATOM 189 N GLY A 16 9.227 1.130 5.935 1.00 0.00 N ATOM 190 CA GLY A 16 10.185 2.218 5.872 1.00 0.00 C ATOM 191 C GLY A 16 10.766 2.399 4.484 1.00 0.00 C ATOM 192 O GLY A 16 10.968 3.526 4.032 1.00 0.00 O ATOM 0 H GLY A 16 9.578 0.275 6.366 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.700 3.143 6.183 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.993 2.028 6.579 1.00 0.00 H new ATOM 196 N GLN A 17 11.036 1.288 3.808 1.00 0.00 N ATOM 197 CA GLN A 17 11.600 1.330 2.463 1.00 0.00 C ATOM 198 C GLN A 17 10.556 1.786 1.450 1.00 0.00 C ATOM 199 O GLN A 17 10.881 2.450 0.465 1.00 0.00 O ATOM 200 CB GLN A 17 12.142 -0.045 2.072 1.00 0.00 C ATOM 201 CG GLN A 17 12.817 -0.068 0.709 1.00 0.00 C ATOM 202 CD GLN A 17 14.281 0.318 0.777 1.00 0.00 C ATOM 203 OE1 GLN A 17 14.908 0.239 1.834 1.00 0.00 O ATOM 204 NE2 GLN A 17 14.836 0.740 -0.353 1.00 0.00 N ATOM 0 H GLN A 17 10.874 0.348 4.168 1.00 0.00 H new ATOM 0 HA GLN A 17 12.419 2.049 2.461 1.00 0.00 H new ATOM 0 HB2 GLN A 17 12.856 -0.373 2.827 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.322 -0.764 2.075 1.00 0.00 H new ATOM 0 HG2 GLN A 17 12.728 -1.066 0.280 1.00 0.00 H new ATOM 0 HG3 GLN A 17 12.296 0.615 0.038 1.00 0.00 H new ATOM 0 HE21 GLN A 17 14.280 0.790 -1.207 1.00 0.00 H new ATOM 0 HE22 GLN A 17 15.818 1.014 -0.367 1.00 0.00 H new ATOM 213 N ALA A 18 9.301 1.427 1.697 1.00 0.00 N ATOM 214 CA ALA A 18 8.209 1.800 0.806 1.00 0.00 C ATOM 215 C ALA A 18 8.051 3.315 0.737 1.00 0.00 C ATOM 216 O ALA A 18 8.097 3.904 -0.342 1.00 0.00 O ATOM 217 CB ALA A 18 6.910 1.153 1.263 1.00 0.00 C ATOM 0 H ALA A 18 9.015 0.878 2.507 1.00 0.00 H new ATOM 0 HA ALA A 18 8.450 1.439 -0.194 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.103 1.440 0.588 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.021 0.069 1.255 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.674 1.486 2.274 1.00 0.00 H new ATOM 223 N GLU A 19 7.866 3.940 1.895 1.00 0.00 N ATOM 224 CA GLU A 19 7.700 5.387 1.964 1.00 0.00 C ATOM 225 C GLU A 19 8.772 6.097 1.144 1.00 0.00 C ATOM 226 O GLU A 19 8.470 6.960 0.318 1.00 0.00 O ATOM 227 CB GLU A 19 7.758 5.861 3.418 1.00 0.00 C ATOM 228 CG GLU A 19 6.402 5.891 4.103 1.00 0.00 C ATOM 229 CD GLU A 19 6.336 6.913 5.222 1.00 0.00 C ATOM 230 OE1 GLU A 19 7.137 7.869 5.200 1.00 0.00 O ATOM 231 OE2 GLU A 19 5.481 6.756 6.118 1.00 0.00 O ATOM 0 H GLU A 19 7.827 3.467 2.798 1.00 0.00 H new ATOM 0 HA GLU A 19 6.724 5.635 1.547 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.424 5.206 3.979 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.193 6.860 3.449 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.631 6.115 3.365 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.180 4.902 4.505 1.00 0.00 H new ATOM 238 N THR A 20 10.029 5.729 1.376 1.00 0.00 N ATOM 239 CA THR A 20 11.147 6.330 0.661 1.00 0.00 C ATOM 240 C THR A 20 11.083 6.009 -0.828 1.00 0.00 C ATOM 241 O THR A 20 11.231 6.895 -1.672 1.00 0.00 O ATOM 242 CB THR A 20 12.498 5.847 1.222 1.00 0.00 C ATOM 243 OG1 THR A 20 12.608 6.199 2.604 1.00 0.00 O ATOM 244 CG2 THR A 20 13.655 6.456 0.444 1.00 0.00 C ATOM 0 H THR A 20 10.297 5.016 2.055 1.00 0.00 H new ATOM 0 HA THR A 20 11.069 7.408 0.801 1.00 0.00 H new ATOM 0 HB THR A 20 12.543 4.763 1.120 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.469 5.887 2.954 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.599 6.101 0.858 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.584 6.162 -0.603 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.612 7.543 0.519 1.00 0.00 H new ATOM 252 N LEU A 21 10.862 4.739 -1.146 1.00 0.00 N ATOM 253 CA LEU A 21 10.778 4.301 -2.535 1.00 0.00 C ATOM 254 C LEU A 21 9.689 5.065 -3.282 1.00 0.00 C ATOM 255 O LEU A 21 9.977 5.847 -4.189 1.00 0.00 O ATOM 256 CB LEU A 21 10.498 2.798 -2.601 1.00 0.00 C ATOM 257 CG LEU A 21 11.722 1.884 -2.530 1.00 0.00 C ATOM 258 CD1 LEU A 21 11.315 0.432 -2.728 1.00 0.00 C ATOM 259 CD2 LEU A 21 12.757 2.297 -3.566 1.00 0.00 C ATOM 0 H LEU A 21 10.738 3.994 -0.461 1.00 0.00 H new ATOM 0 HA LEU A 21 11.735 4.508 -3.013 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.827 2.537 -1.783 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.966 2.588 -3.529 1.00 0.00 H new ATOM 0 HG LEU A 21 12.169 1.983 -1.541 1.00 0.00 H new ATOM 0 HD11 LEU A 21 12.199 -0.204 -2.674 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.611 0.142 -1.948 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.843 0.316 -3.704 1.00 0.00 H new ATOM 0 HD21 LEU A 21 13.621 1.636 -3.501 1.00 0.00 H new ATOM 0 HD22 LEU A 21 12.322 2.228 -4.563 1.00 0.00 H new ATOM 0 HD23 LEU A 21 13.071 3.324 -3.377 1.00 0.00 H new ATOM 271 N LEU A 22 8.440 4.835 -2.895 1.00 0.00 N ATOM 272 CA LEU A 22 7.307 5.504 -3.526 1.00 0.00 C ATOM 273 C LEU A 22 7.644 6.955 -3.851 1.00 0.00 C ATOM 274 O LEU A 22 7.558 7.379 -5.003 1.00 0.00 O ATOM 275 CB LEU A 22 6.082 5.446 -2.612 1.00 0.00 C ATOM 276 CG LEU A 22 5.301 4.132 -2.620 1.00 0.00 C ATOM 277 CD1 LEU A 22 4.327 4.082 -1.452 1.00 0.00 C ATOM 278 CD2 LEU A 22 4.561 3.958 -3.940 1.00 0.00 C ATOM 0 H LEU A 22 8.185 4.190 -2.147 1.00 0.00 H new ATOM 0 HA LEU A 22 7.083 4.985 -4.458 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.406 5.647 -1.591 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.403 6.251 -2.896 1.00 0.00 H new ATOM 0 HG LEU A 22 6.010 3.311 -2.512 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.780 3.139 -1.474 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.878 4.160 -0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.624 4.911 -1.529 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.011 3.017 -3.927 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.864 4.784 -4.078 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.278 3.948 -4.761 1.00 0.00 H new ATOM 290 N GLN A 23 8.032 7.711 -2.830 1.00 0.00 N ATOM 291 CA GLN A 23 8.384 9.115 -3.008 1.00 0.00 C ATOM 292 C GLN A 23 9.505 9.269 -4.031 1.00 0.00 C ATOM 293 O GLN A 23 9.570 10.266 -4.749 1.00 0.00 O ATOM 294 CB GLN A 23 8.807 9.731 -1.674 1.00 0.00 C ATOM 295 CG GLN A 23 7.703 9.735 -0.628 1.00 0.00 C ATOM 296 CD GLN A 23 8.221 10.029 0.766 1.00 0.00 C ATOM 297 OE1 GLN A 23 9.421 9.943 1.027 1.00 0.00 O ATOM 298 NE2 GLN A 23 7.315 10.377 1.673 1.00 0.00 N ATOM 0 H GLN A 23 8.111 7.375 -1.870 1.00 0.00 H new ATOM 0 HA GLN A 23 7.503 9.640 -3.378 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.663 9.180 -1.284 1.00 0.00 H new ATOM 0 HB3 GLN A 23 9.138 10.755 -1.845 1.00 0.00 H new ATOM 0 HG2 GLN A 23 6.955 10.480 -0.898 1.00 0.00 H new ATOM 0 HG3 GLN A 23 7.203 8.766 -0.629 1.00 0.00 H new ATOM 0 HE21 GLN A 23 6.330 10.436 1.414 1.00 0.00 H new ATOM 0 HE22 GLN A 23 7.604 10.585 2.629 1.00 0.00 H new ATOM 307 N ALA A 24 10.386 8.276 -4.089 1.00 0.00 N ATOM 308 CA ALA A 24 11.504 8.300 -5.025 1.00 0.00 C ATOM 309 C ALA A 24 11.023 8.557 -6.448 1.00 0.00 C ATOM 310 O ALA A 24 11.548 9.425 -7.146 1.00 0.00 O ATOM 311 CB ALA A 24 12.279 6.993 -4.955 1.00 0.00 C ATOM 0 H ALA A 24 10.347 7.445 -3.499 1.00 0.00 H new ATOM 0 HA ALA A 24 12.166 9.118 -4.741 1.00 0.00 H new ATOM 0 HB1 ALA A 24 13.111 7.025 -5.659 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.664 6.852 -3.945 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.619 6.164 -5.211 1.00 0.00 H new ATOM 317 N LYS A 25 10.020 7.797 -6.875 1.00 0.00 N ATOM 318 CA LYS A 25 9.466 7.942 -8.216 1.00 0.00 C ATOM 319 C LYS A 25 8.725 9.267 -8.358 1.00 0.00 C ATOM 320 O LYS A 25 8.880 9.972 -9.355 1.00 0.00 O ATOM 321 CB LYS A 25 8.521 6.780 -8.528 1.00 0.00 C ATOM 322 CG LYS A 25 8.252 6.595 -10.011 1.00 0.00 C ATOM 323 CD LYS A 25 7.897 5.154 -10.339 1.00 0.00 C ATOM 324 CE LYS A 25 7.051 5.061 -11.599 1.00 0.00 C ATOM 325 NZ LYS A 25 7.740 5.659 -12.776 1.00 0.00 N ATOM 0 H LYS A 25 9.574 7.074 -6.311 1.00 0.00 H new ATOM 0 HA LYS A 25 10.292 7.931 -8.927 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.946 5.860 -8.127 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.574 6.945 -8.014 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.437 7.250 -10.318 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.132 6.892 -10.581 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.811 4.574 -10.469 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.355 4.712 -9.503 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.821 4.016 -11.805 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.101 5.570 -11.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.185 5.471 -13.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.831 6.686 -12.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.686 5.238 -12.876 1.00 0.00 H new ATOM 339 N GLY A 26 7.919 9.600 -7.354 1.00 0.00 N ATOM 340 CA GLY A 26 7.168 10.841 -7.387 1.00 0.00 C ATOM 341 C GLY A 26 5.893 10.725 -8.199 1.00 0.00 C ATOM 342 O GLY A 26 5.467 11.686 -8.839 1.00 0.00 O ATOM 0 H GLY A 26 7.773 9.033 -6.519 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.921 11.140 -6.368 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.793 11.629 -7.807 1.00 0.00 H new ATOM 346 N GLU A 27 5.283 9.544 -8.175 1.00 0.00 N ATOM 347 CA GLU A 27 4.050 9.307 -8.916 1.00 0.00 C ATOM 348 C GLU A 27 2.864 9.162 -7.968 1.00 0.00 C ATOM 349 O GLU A 27 2.824 8.275 -7.114 1.00 0.00 O ATOM 350 CB GLU A 27 4.182 8.050 -9.780 1.00 0.00 C ATOM 351 CG GLU A 27 4.891 8.293 -11.102 1.00 0.00 C ATOM 352 CD GLU A 27 4.248 9.402 -11.913 1.00 0.00 C ATOM 353 OE1 GLU A 27 3.017 9.581 -11.802 1.00 0.00 O ATOM 354 OE2 GLU A 27 4.976 10.091 -12.658 1.00 0.00 O ATOM 0 H GLU A 27 5.622 8.737 -7.651 1.00 0.00 H new ATOM 0 HA GLU A 27 3.874 10.167 -9.562 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.726 7.290 -9.220 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.188 7.649 -9.979 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.934 8.546 -10.910 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.889 7.373 -11.686 1.00 0.00 H new ATOM 361 N PRO A 28 1.873 10.054 -8.119 1.00 0.00 N ATOM 362 CA PRO A 28 0.667 10.047 -7.286 1.00 0.00 C ATOM 363 C PRO A 28 -0.233 8.851 -7.579 1.00 0.00 C ATOM 364 O PRO A 28 -0.299 8.375 -8.712 1.00 0.00 O ATOM 365 CB PRO A 28 -0.036 11.351 -7.669 1.00 0.00 C ATOM 366 CG PRO A 28 0.442 11.649 -9.049 1.00 0.00 C ATOM 367 CD PRO A 28 1.854 11.137 -9.117 1.00 0.00 C ATOM 0 HA PRO A 28 0.905 9.971 -6.225 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.120 11.239 -7.641 1.00 0.00 H new ATOM 0 HB3 PRO A 28 0.219 12.156 -6.979 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.187 11.161 -9.794 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.405 12.719 -9.252 1.00 0.00 H new ATOM 0 HD2 PRO A 28 2.101 10.770 -10.113 1.00 0.00 H new ATOM 0 HD3 PRO A 28 2.576 11.917 -8.877 1.00 0.00 H new ATOM 375 N TRP A 29 -0.924 8.372 -6.550 1.00 0.00 N ATOM 376 CA TRP A 29 -1.821 7.231 -6.698 1.00 0.00 C ATOM 377 C TRP A 29 -1.041 5.966 -7.038 1.00 0.00 C ATOM 378 O TRP A 29 -1.507 5.125 -7.808 1.00 0.00 O ATOM 379 CB TRP A 29 -2.861 7.511 -7.784 1.00 0.00 C ATOM 380 CG TRP A 29 -3.602 8.798 -7.580 1.00 0.00 C ATOM 381 CD1 TRP A 29 -3.768 9.802 -8.491 1.00 0.00 C ATOM 382 CD2 TRP A 29 -4.274 9.220 -6.389 1.00 0.00 C ATOM 383 NE1 TRP A 29 -4.503 10.822 -7.937 1.00 0.00 N ATOM 384 CE2 TRP A 29 -4.826 10.489 -6.648 1.00 0.00 C ATOM 385 CE3 TRP A 29 -4.464 8.649 -5.127 1.00 0.00 C ATOM 386 CZ2 TRP A 29 -5.554 11.194 -5.693 1.00 0.00 C ATOM 387 CZ3 TRP A 29 -5.187 9.350 -4.180 1.00 0.00 C ATOM 388 CH2 TRP A 29 -5.725 10.611 -4.468 1.00 0.00 C ATOM 0 H TRP A 29 -0.880 8.755 -5.606 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.331 7.076 -5.747 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.365 7.536 -8.754 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.576 6.689 -7.813 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.379 9.795 -9.498 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.766 11.687 -8.409 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.053 7.677 -4.896 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -5.969 12.167 -5.912 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -5.340 8.918 -3.202 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.286 11.133 -3.707 1.00 0.00 H new ATOM 399 N THR A 30 0.148 5.836 -6.459 1.00 0.00 N ATOM 400 CA THR A 30 0.993 4.673 -6.702 1.00 0.00 C ATOM 401 C THR A 30 0.923 3.690 -5.539 1.00 0.00 C ATOM 402 O THR A 30 1.301 4.018 -4.413 1.00 0.00 O ATOM 403 CB THR A 30 2.462 5.082 -6.926 1.00 0.00 C ATOM 404 OG1 THR A 30 2.575 5.862 -8.121 1.00 0.00 O ATOM 405 CG2 THR A 30 3.356 3.856 -7.027 1.00 0.00 C ATOM 0 H THR A 30 0.548 6.522 -5.818 1.00 0.00 H new ATOM 0 HA THR A 30 0.616 4.192 -7.604 1.00 0.00 H new ATOM 0 HB THR A 30 2.785 5.677 -6.072 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.325 6.790 -7.931 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.388 4.170 -7.185 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.289 3.280 -6.104 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.033 3.238 -7.865 1.00 0.00 H new ATOM 413 N PHE A 31 0.439 2.485 -5.817 1.00 0.00 N ATOM 414 CA PHE A 31 0.320 1.454 -4.792 1.00 0.00 C ATOM 415 C PHE A 31 1.397 0.387 -4.966 1.00 0.00 C ATOM 416 O PHE A 31 1.896 0.165 -6.071 1.00 0.00 O ATOM 417 CB PHE A 31 -1.066 0.808 -4.849 1.00 0.00 C ATOM 418 CG PHE A 31 -1.143 -0.369 -5.780 1.00 0.00 C ATOM 419 CD1 PHE A 31 -1.386 -0.183 -7.131 1.00 0.00 C ATOM 420 CD2 PHE A 31 -0.971 -1.658 -5.304 1.00 0.00 C ATOM 421 CE1 PHE A 31 -1.456 -1.264 -7.992 1.00 0.00 C ATOM 422 CE2 PHE A 31 -1.041 -2.741 -6.159 1.00 0.00 C ATOM 423 CZ PHE A 31 -1.284 -2.545 -7.504 1.00 0.00 C ATOM 0 H PHE A 31 0.123 2.198 -6.743 1.00 0.00 H new ATOM 0 HA PHE A 31 0.455 1.926 -3.819 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.350 0.487 -3.847 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.794 1.556 -5.162 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.522 0.817 -7.517 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.780 -1.818 -4.253 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.645 -1.107 -9.044 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.906 -3.741 -5.775 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.339 -3.391 -8.173 1.00 0.00 H new ATOM 433 N LEU A 32 1.754 -0.268 -3.868 1.00 0.00 N ATOM 434 CA LEU A 32 2.773 -1.312 -3.896 1.00 0.00 C ATOM 435 C LEU A 32 2.527 -2.343 -2.800 1.00 0.00 C ATOM 436 O LEU A 32 2.302 -1.992 -1.642 1.00 0.00 O ATOM 437 CB LEU A 32 4.164 -0.697 -3.732 1.00 0.00 C ATOM 438 CG LEU A 32 4.671 -0.558 -2.296 1.00 0.00 C ATOM 439 CD1 LEU A 32 5.372 -1.832 -1.850 1.00 0.00 C ATOM 440 CD2 LEU A 32 5.605 0.638 -2.175 1.00 0.00 C ATOM 0 H LEU A 32 1.353 -0.095 -2.946 1.00 0.00 H new ATOM 0 HA LEU A 32 2.716 -1.816 -4.861 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.876 -1.305 -4.290 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.159 0.291 -4.192 1.00 0.00 H new ATOM 0 HG LEU A 32 3.814 -0.393 -1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.726 -1.713 -0.826 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.674 -2.668 -1.898 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.220 -2.029 -2.506 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.957 0.722 -1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.458 0.502 -2.840 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.070 1.547 -2.451 1.00 0.00 H new ATOM 452 N VAL A 33 2.576 -3.619 -3.172 1.00 0.00 N ATOM 453 CA VAL A 33 2.363 -4.702 -2.219 1.00 0.00 C ATOM 454 C VAL A 33 3.689 -5.259 -1.714 1.00 0.00 C ATOM 455 O VAL A 33 4.600 -5.526 -2.498 1.00 0.00 O ATOM 456 CB VAL A 33 1.542 -5.846 -2.844 1.00 0.00 C ATOM 457 CG1 VAL A 33 1.325 -6.962 -1.834 1.00 0.00 C ATOM 458 CG2 VAL A 33 0.212 -5.323 -3.367 1.00 0.00 C ATOM 0 H VAL A 33 2.761 -3.928 -4.126 1.00 0.00 H new ATOM 0 HA VAL A 33 1.807 -4.281 -1.381 1.00 0.00 H new ATOM 0 HB VAL A 33 2.102 -6.254 -3.685 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.743 -7.761 -2.294 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.290 -7.354 -1.513 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.786 -6.572 -0.971 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.355 -6.144 -3.805 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.356 -4.888 -2.545 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.393 -4.562 -4.126 1.00 0.00 H new ATOM 468 N ARG A 34 3.789 -5.433 -0.401 1.00 0.00 N ATOM 469 CA ARG A 34 5.005 -5.959 0.209 1.00 0.00 C ATOM 470 C ARG A 34 4.671 -6.981 1.292 1.00 0.00 C ATOM 471 O ARG A 34 3.554 -7.012 1.807 1.00 0.00 O ATOM 472 CB ARG A 34 5.835 -4.821 0.806 1.00 0.00 C ATOM 473 CG ARG A 34 5.115 -4.051 1.901 1.00 0.00 C ATOM 474 CD ARG A 34 6.072 -3.163 2.680 1.00 0.00 C ATOM 475 NE ARG A 34 5.365 -2.199 3.518 1.00 0.00 N ATOM 476 CZ ARG A 34 4.920 -2.474 4.740 1.00 0.00 C ATOM 477 NH1 ARG A 34 5.109 -3.679 5.261 1.00 0.00 N ATOM 478 NH2 ARG A 34 4.286 -1.545 5.441 1.00 0.00 N ATOM 0 H ARG A 34 3.044 -5.218 0.261 1.00 0.00 H new ATOM 0 HA ARG A 34 5.587 -6.455 -0.568 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.760 -5.231 1.210 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.113 -4.130 0.011 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.328 -3.440 1.460 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.631 -4.751 2.582 1.00 0.00 H new ATOM 0 HD2 ARG A 34 6.715 -3.783 3.305 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.721 -2.631 1.984 1.00 0.00 H new ATOM 0 HE ARG A 34 5.204 -1.263 3.145 1.00 0.00 H new ATOM 0 HH11 ARG A 34 5.596 -4.396 4.724 1.00 0.00 H new ATOM 0 HH12 ARG A 34 4.767 -3.889 6.199 1.00 0.00 H new ATOM 0 HH21 ARG A 34 4.139 -0.617 5.043 1.00 0.00 H new ATOM 0 HH22 ARG A 34 3.945 -1.758 6.379 1.00 0.00 H new ATOM 492 N GLU A 35 5.648 -7.816 1.631 1.00 0.00 N ATOM 493 CA GLU A 35 5.457 -8.840 2.651 1.00 0.00 C ATOM 494 C GLU A 35 5.690 -8.268 4.047 1.00 0.00 C ATOM 495 O GLU A 35 6.588 -7.453 4.253 1.00 0.00 O ATOM 496 CB GLU A 35 6.403 -10.018 2.407 1.00 0.00 C ATOM 497 CG GLU A 35 5.836 -11.070 1.468 1.00 0.00 C ATOM 498 CD GLU A 35 6.839 -12.156 1.133 1.00 0.00 C ATOM 499 OE1 GLU A 35 8.057 -11.885 1.214 1.00 0.00 O ATOM 500 OE2 GLU A 35 6.409 -13.276 0.788 1.00 0.00 O ATOM 0 H GLU A 35 6.579 -7.803 1.215 1.00 0.00 H new ATOM 0 HA GLU A 35 4.427 -9.191 2.588 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.339 -9.642 1.995 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.641 -10.486 3.362 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.956 -11.522 1.925 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.506 -10.589 0.547 1.00 0.00 H new ATOM 507 N SER A 36 4.873 -8.702 5.001 1.00 0.00 N ATOM 508 CA SER A 36 4.986 -8.231 6.376 1.00 0.00 C ATOM 509 C SER A 36 6.393 -8.465 6.918 1.00 0.00 C ATOM 510 O SER A 36 7.264 -8.978 6.213 1.00 0.00 O ATOM 511 CB SER A 36 3.961 -8.937 7.266 1.00 0.00 C ATOM 512 OG SER A 36 4.045 -10.344 7.123 1.00 0.00 O ATOM 0 H SER A 36 4.126 -9.379 4.847 1.00 0.00 H new ATOM 0 HA SER A 36 4.786 -7.159 6.383 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.129 -8.663 8.308 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.957 -8.601 7.007 1.00 0.00 H new ATOM 0 HG SER A 36 3.731 -10.601 6.231 1.00 0.00 H new ATOM 586 N ASP A 42 1.655 -12.561 6.279 1.00 0.00 N ATOM 587 CA ASP A 42 0.790 -11.418 6.008 1.00 0.00 C ATOM 588 C ASP A 42 1.432 -10.480 4.991 1.00 0.00 C ATOM 589 O ASP A 42 2.528 -10.741 4.494 1.00 0.00 O ATOM 590 CB ASP A 42 0.491 -10.660 7.302 1.00 0.00 C ATOM 591 CG ASP A 42 -0.746 -11.179 8.005 1.00 0.00 C ATOM 592 OD1 ASP A 42 -0.936 -12.413 8.039 1.00 0.00 O ATOM 593 OD2 ASP A 42 -1.528 -10.352 8.521 1.00 0.00 O ATOM 0 HA ASP A 42 -0.145 -11.792 5.591 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.347 -10.740 7.972 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.360 -9.601 7.077 1.00 0.00 H new ATOM 598 N PHE A 43 0.742 -9.387 4.684 1.00 0.00 N ATOM 599 CA PHE A 43 1.243 -8.410 3.723 1.00 0.00 C ATOM 600 C PHE A 43 0.682 -7.022 4.016 1.00 0.00 C ATOM 601 O PHE A 43 -0.273 -6.874 4.778 1.00 0.00 O ATOM 602 CB PHE A 43 0.878 -8.831 2.299 1.00 0.00 C ATOM 603 CG PHE A 43 1.342 -10.214 1.944 1.00 0.00 C ATOM 604 CD1 PHE A 43 0.659 -11.329 2.404 1.00 0.00 C ATOM 605 CD2 PHE A 43 2.463 -10.402 1.151 1.00 0.00 C ATOM 606 CE1 PHE A 43 1.084 -12.603 2.079 1.00 0.00 C ATOM 607 CE2 PHE A 43 2.892 -11.674 0.823 1.00 0.00 C ATOM 608 CZ PHE A 43 2.203 -12.776 1.288 1.00 0.00 C ATOM 0 H PHE A 43 -0.166 -9.155 5.087 1.00 0.00 H new ATOM 0 HA PHE A 43 2.328 -8.370 3.815 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.204 -8.778 2.179 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.312 -8.120 1.596 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.216 -11.200 3.024 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.008 -9.544 0.785 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.542 -13.463 2.443 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.766 -11.806 0.203 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.538 -13.771 1.034 1.00 0.00 H new ATOM 618 N VAL A 44 1.283 -6.007 3.403 1.00 0.00 N ATOM 619 CA VAL A 44 0.844 -4.630 3.598 1.00 0.00 C ATOM 620 C VAL A 44 0.575 -3.946 2.261 1.00 0.00 C ATOM 621 O VAL A 44 1.209 -4.257 1.253 1.00 0.00 O ATOM 622 CB VAL A 44 1.889 -3.812 4.379 1.00 0.00 C ATOM 623 CG1 VAL A 44 1.464 -2.354 4.474 1.00 0.00 C ATOM 624 CG2 VAL A 44 2.103 -4.404 5.763 1.00 0.00 C ATOM 0 H VAL A 44 2.074 -6.112 2.768 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.079 -4.671 4.176 1.00 0.00 H new ATOM 0 HB VAL A 44 2.835 -3.856 3.840 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.215 -1.792 5.029 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.366 -1.937 3.471 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.506 -2.287 4.989 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.845 -3.813 6.301 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.162 -4.393 6.313 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.456 -5.431 5.669 1.00 0.00 H new ATOM 634 N LEU A 45 -0.370 -3.011 2.261 1.00 0.00 N ATOM 635 CA LEU A 45 -0.723 -2.281 1.049 1.00 0.00 C ATOM 636 C LEU A 45 -0.349 -0.808 1.171 1.00 0.00 C ATOM 637 O LEU A 45 -1.057 -0.029 1.810 1.00 0.00 O ATOM 638 CB LEU A 45 -2.221 -2.418 0.766 1.00 0.00 C ATOM 639 CG LEU A 45 -2.638 -2.320 -0.701 1.00 0.00 C ATOM 640 CD1 LEU A 45 -2.231 -0.976 -1.284 1.00 0.00 C ATOM 641 CD2 LEU A 45 -2.028 -3.459 -1.507 1.00 0.00 C ATOM 0 H LEU A 45 -0.905 -2.741 3.087 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.162 -2.711 0.219 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.558 -3.379 1.155 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.748 -1.645 1.325 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.723 -2.403 -0.755 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.536 -0.925 -2.329 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.715 -0.175 -0.725 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.149 -0.863 -1.216 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.336 -3.373 -2.549 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.941 -3.408 -1.444 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.370 -4.413 -1.105 1.00 0.00 H new ATOM 653 N SER A 46 0.767 -0.432 0.554 1.00 0.00 N ATOM 654 CA SER A 46 1.236 0.948 0.596 1.00 0.00 C ATOM 655 C SER A 46 0.804 1.706 -0.656 1.00 0.00 C ATOM 656 O SER A 46 0.827 1.166 -1.762 1.00 0.00 O ATOM 657 CB SER A 46 2.760 0.987 0.729 1.00 0.00 C ATOM 658 OG SER A 46 3.231 -0.095 1.514 1.00 0.00 O ATOM 0 H SER A 46 1.363 -1.064 0.019 1.00 0.00 H new ATOM 0 HA SER A 46 0.790 1.432 1.465 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.216 0.948 -0.260 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.065 1.930 1.183 1.00 0.00 H new ATOM 0 HG SER A 46 4.207 -0.049 1.583 1.00 0.00 H new ATOM 664 N VAL A 47 0.409 2.961 -0.473 1.00 0.00 N ATOM 665 CA VAL A 47 -0.027 3.796 -1.585 1.00 0.00 C ATOM 666 C VAL A 47 0.417 5.242 -1.395 1.00 0.00 C ATOM 667 O VAL A 47 0.405 5.765 -0.280 1.00 0.00 O ATOM 668 CB VAL A 47 -1.558 3.758 -1.750 1.00 0.00 C ATOM 669 CG1 VAL A 47 -1.962 4.274 -3.122 1.00 0.00 C ATOM 670 CG2 VAL A 47 -2.083 2.348 -1.525 1.00 0.00 C ATOM 0 H VAL A 47 0.382 3.423 0.436 1.00 0.00 H new ATOM 0 HA VAL A 47 0.438 3.392 -2.484 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.003 4.411 -0.999 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.047 4.239 -3.219 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.620 5.302 -3.239 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.509 3.651 -3.893 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.166 2.340 -1.645 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.632 1.672 -2.251 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.827 2.021 -0.517 1.00 0.00 H new ATOM 680 N LEU A 48 0.807 5.884 -2.491 1.00 0.00 N ATOM 681 CA LEU A 48 1.254 7.272 -2.445 1.00 0.00 C ATOM 682 C LEU A 48 0.127 8.221 -2.840 1.00 0.00 C ATOM 683 O LEU A 48 -0.422 8.127 -3.938 1.00 0.00 O ATOM 684 CB LEU A 48 2.453 7.472 -3.374 1.00 0.00 C ATOM 685 CG LEU A 48 3.357 8.664 -3.055 1.00 0.00 C ATOM 686 CD1 LEU A 48 3.950 8.527 -1.662 1.00 0.00 C ATOM 687 CD2 LEU A 48 4.460 8.790 -4.096 1.00 0.00 C ATOM 0 H LEU A 48 0.823 5.466 -3.421 1.00 0.00 H new ATOM 0 HA LEU A 48 1.552 7.498 -1.421 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.059 6.566 -3.353 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.083 7.584 -4.393 1.00 0.00 H new ATOM 0 HG LEU A 48 2.753 9.571 -3.082 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.590 9.384 -1.453 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.146 8.487 -0.927 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.539 7.612 -1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.094 9.643 -3.853 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.061 7.881 -4.101 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.016 8.936 -5.081 1.00 0.00 H new ATOM 699 N SER A 49 -0.212 9.137 -1.937 1.00 0.00 N ATOM 700 CA SER A 49 -1.275 10.102 -2.191 1.00 0.00 C ATOM 701 C SER A 49 -0.746 11.298 -2.977 1.00 0.00 C ATOM 702 O SER A 49 0.441 11.616 -2.921 1.00 0.00 O ATOM 703 CB SER A 49 -1.887 10.576 -0.872 1.00 0.00 C ATOM 704 OG SER A 49 -0.951 11.321 -0.113 1.00 0.00 O ATOM 0 H SER A 49 0.234 9.230 -1.024 1.00 0.00 H new ATOM 0 HA SER A 49 -2.045 9.610 -2.785 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.765 11.189 -1.075 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.225 9.716 -0.295 1.00 0.00 H new ATOM 0 HG SER A 49 -0.232 10.729 0.192 1.00 0.00 H new ATOM 710 N ASP A 50 -1.638 11.957 -3.709 1.00 0.00 N ATOM 711 CA ASP A 50 -1.263 13.119 -4.507 1.00 0.00 C ATOM 712 C ASP A 50 -1.242 14.381 -3.652 1.00 0.00 C ATOM 713 O ASP A 50 -1.210 15.495 -4.174 1.00 0.00 O ATOM 714 CB ASP A 50 -2.234 13.297 -5.676 1.00 0.00 C ATOM 715 CG ASP A 50 -2.010 14.596 -6.422 1.00 0.00 C ATOM 716 OD1 ASP A 50 -0.862 14.849 -6.843 1.00 0.00 O ATOM 717 OD2 ASP A 50 -2.983 15.362 -6.584 1.00 0.00 O ATOM 0 H ASP A 50 -2.625 11.707 -3.766 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.260 12.951 -4.900 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.123 12.461 -6.367 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.257 13.268 -5.302 1.00 0.00 H new ATOM 722 N GLN A 51 -1.259 14.198 -2.335 1.00 0.00 N ATOM 723 CA GLN A 51 -1.244 15.323 -1.408 1.00 0.00 C ATOM 724 C GLN A 51 0.040 15.332 -0.584 1.00 0.00 C ATOM 725 O GLN A 51 0.378 14.361 0.092 1.00 0.00 O ATOM 726 CB GLN A 51 -2.459 15.264 -0.480 1.00 0.00 C ATOM 727 CG GLN A 51 -3.784 15.447 -1.201 1.00 0.00 C ATOM 728 CD GLN A 51 -4.130 16.906 -1.427 1.00 0.00 C ATOM 729 OE1 GLN A 51 -4.931 17.487 -0.694 1.00 0.00 O ATOM 730 NE2 GLN A 51 -3.525 17.507 -2.445 1.00 0.00 N ATOM 0 H GLN A 51 -1.283 13.282 -1.887 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.287 16.242 -1.992 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.465 14.304 0.036 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.361 16.036 0.283 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -3.744 14.934 -2.162 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.577 14.975 -0.621 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.868 16.987 -3.027 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.717 18.489 -2.645 1.00 0.00 H new ATOM 739 N PRO A 52 0.772 16.455 -0.642 1.00 0.00 N ATOM 740 CA PRO A 52 2.030 16.617 0.093 1.00 0.00 C ATOM 741 C PRO A 52 1.813 16.718 1.600 1.00 0.00 C ATOM 742 O PRO A 52 0.742 17.118 2.057 1.00 0.00 O ATOM 743 CB PRO A 52 2.595 17.930 -0.455 1.00 0.00 C ATOM 744 CG PRO A 52 1.402 18.685 -0.931 1.00 0.00 C ATOM 745 CD PRO A 52 0.428 17.652 -1.427 1.00 0.00 C ATOM 0 HA PRO A 52 2.693 15.763 -0.042 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.132 18.483 0.316 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.300 17.750 -1.267 1.00 0.00 H new ATOM 0 HG2 PRO A 52 0.967 19.276 -0.125 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.672 19.380 -1.726 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.604 17.960 -1.259 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.539 17.476 -2.497 1.00 0.00 H new ATOM 753 N LYS A 53 2.836 16.356 2.365 1.00 0.00 N ATOM 754 CA LYS A 53 2.759 16.407 3.821 1.00 0.00 C ATOM 755 C LYS A 53 2.746 17.850 4.314 1.00 0.00 C ATOM 756 O LYS A 53 1.965 18.208 5.195 1.00 0.00 O ATOM 757 CB LYS A 53 3.938 15.655 4.441 1.00 0.00 C ATOM 758 CG LYS A 53 4.089 14.232 3.933 1.00 0.00 C ATOM 759 CD LYS A 53 5.517 13.736 4.078 1.00 0.00 C ATOM 760 CE LYS A 53 5.874 13.486 5.536 1.00 0.00 C ATOM 761 NZ LYS A 53 7.345 13.367 5.735 1.00 0.00 N ATOM 0 H LYS A 53 3.729 16.024 2.002 1.00 0.00 H new ATOM 0 HA LYS A 53 1.829 15.928 4.128 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.857 16.204 4.235 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.815 15.634 5.524 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.417 13.575 4.485 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.791 14.185 2.885 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.643 12.815 3.508 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.203 14.470 3.655 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.490 14.301 6.149 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.386 12.573 5.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.547 13.197 6.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.709 12.573 5.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.809 14.248 5.433 1.00 0.00 H new ATOM 813 N SER A 58 7.396 19.346 -0.178 1.00 0.00 N ATOM 814 CA SER A 58 7.447 18.157 0.663 1.00 0.00 C ATOM 815 C SER A 58 7.015 16.919 -0.118 1.00 0.00 C ATOM 816 O SER A 58 6.260 16.998 -1.087 1.00 0.00 O ATOM 817 CB SER A 58 6.553 18.336 1.891 1.00 0.00 C ATOM 818 OG SER A 58 5.234 17.884 1.632 1.00 0.00 O ATOM 0 HA SER A 58 8.478 18.018 0.990 1.00 0.00 H new ATOM 0 HB2 SER A 58 6.971 17.784 2.733 1.00 0.00 H new ATOM 0 HB3 SER A 58 6.531 19.387 2.178 1.00 0.00 H new ATOM 0 HG SER A 58 4.646 18.151 2.369 1.00 0.00 H new ATOM 824 N PRO A 59 7.507 15.747 0.312 1.00 0.00 N ATOM 825 CA PRO A 59 7.186 14.471 -0.331 1.00 0.00 C ATOM 826 C PRO A 59 5.735 14.057 -0.108 1.00 0.00 C ATOM 827 O PRO A 59 5.150 14.346 0.937 1.00 0.00 O ATOM 828 CB PRO A 59 8.135 13.482 0.349 1.00 0.00 C ATOM 829 CG PRO A 59 8.429 14.092 1.676 1.00 0.00 C ATOM 830 CD PRO A 59 8.412 15.579 1.461 1.00 0.00 C ATOM 0 HA PRO A 59 7.304 14.520 -1.414 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.673 12.501 0.458 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.046 13.343 -0.233 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.684 13.796 2.415 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.398 13.763 2.051 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.047 16.108 2.341 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.409 15.966 1.248 1.00 0.00 H new ATOM 838 N LEU A 60 5.160 13.379 -1.094 1.00 0.00 N ATOM 839 CA LEU A 60 3.777 12.923 -1.004 1.00 0.00 C ATOM 840 C LEU A 60 3.591 11.972 0.174 1.00 0.00 C ATOM 841 O LEU A 60 4.420 11.094 0.412 1.00 0.00 O ATOM 842 CB LEU A 60 3.361 12.230 -2.304 1.00 0.00 C ATOM 843 CG LEU A 60 2.912 13.149 -3.440 1.00 0.00 C ATOM 844 CD1 LEU A 60 3.621 14.491 -3.354 1.00 0.00 C ATOM 845 CD2 LEU A 60 3.170 12.493 -4.789 1.00 0.00 C ATOM 0 H LEU A 60 5.629 13.133 -1.965 1.00 0.00 H new ATOM 0 HA LEU A 60 3.144 13.796 -0.846 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.200 11.631 -2.658 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.549 11.539 -2.080 1.00 0.00 H new ATOM 0 HG LEU A 60 1.840 13.321 -3.340 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.288 15.131 -4.171 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.386 14.966 -2.402 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.698 14.339 -3.428 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.844 13.161 -5.587 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.236 12.291 -4.897 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.615 11.557 -4.850 1.00 0.00 H new ATOM 857 N ARG A 61 2.497 12.153 0.907 1.00 0.00 N ATOM 858 CA ARG A 61 2.203 11.311 2.060 1.00 0.00 C ATOM 859 C ARG A 61 1.840 9.896 1.621 1.00 0.00 C ATOM 860 O ARG A 61 1.096 9.704 0.660 1.00 0.00 O ATOM 861 CB ARG A 61 1.057 11.912 2.878 1.00 0.00 C ATOM 862 CG ARG A 61 0.793 11.181 4.184 1.00 0.00 C ATOM 863 CD ARG A 61 1.613 11.763 5.324 1.00 0.00 C ATOM 864 NE ARG A 61 2.947 11.170 5.398 1.00 0.00 N ATOM 865 CZ ARG A 61 3.184 9.951 5.870 1.00 0.00 C ATOM 866 NH1 ARG A 61 2.184 9.199 6.306 1.00 0.00 N ATOM 867 NH2 ARG A 61 4.425 9.481 5.903 1.00 0.00 N ATOM 0 H ARG A 61 1.800 12.875 0.723 1.00 0.00 H new ATOM 0 HA ARG A 61 3.098 11.262 2.681 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.285 12.956 3.095 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.148 11.903 2.276 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.267 11.243 4.429 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.032 10.124 4.065 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.703 12.841 5.192 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.091 11.599 6.267 1.00 0.00 H new ATOM 0 HE ARG A 61 3.739 11.722 5.069 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.229 9.556 6.280 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.369 8.264 6.668 1.00 0.00 H new ATOM 0 HH21 ARG A 61 5.197 10.056 5.566 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.606 8.545 6.266 1.00 0.00 H new ATOM 881 N VAL A 62 2.372 8.906 2.332 1.00 0.00 N ATOM 882 CA VAL A 62 2.105 7.508 2.016 1.00 0.00 C ATOM 883 C VAL A 62 1.041 6.930 2.942 1.00 0.00 C ATOM 884 O VAL A 62 0.820 7.434 4.044 1.00 0.00 O ATOM 885 CB VAL A 62 3.382 6.655 2.123 1.00 0.00 C ATOM 886 CG1 VAL A 62 3.093 5.210 1.745 1.00 0.00 C ATOM 887 CG2 VAL A 62 4.484 7.232 1.247 1.00 0.00 C ATOM 0 H VAL A 62 2.990 9.047 3.131 1.00 0.00 H new ATOM 0 HA VAL A 62 1.743 7.479 0.988 1.00 0.00 H new ATOM 0 HB VAL A 62 3.724 6.674 3.158 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.008 4.623 1.827 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.338 4.802 2.417 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.726 5.169 0.720 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.379 6.616 1.335 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.154 7.245 0.208 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.710 8.249 1.569 1.00 0.00 H new ATOM 897 N THR A 63 0.385 5.867 2.489 1.00 0.00 N ATOM 898 CA THR A 63 -0.657 5.218 3.276 1.00 0.00 C ATOM 899 C THR A 63 -0.439 3.711 3.341 1.00 0.00 C ATOM 900 O THR A 63 -0.522 3.017 2.328 1.00 0.00 O ATOM 901 CB THR A 63 -2.056 5.499 2.696 1.00 0.00 C ATOM 902 OG1 THR A 63 -2.214 6.901 2.454 1.00 0.00 O ATOM 903 CG2 THR A 63 -3.142 5.017 3.646 1.00 0.00 C ATOM 0 H THR A 63 0.557 5.436 1.580 1.00 0.00 H new ATOM 0 HA THR A 63 -0.599 5.634 4.282 1.00 0.00 H new ATOM 0 HB THR A 63 -2.151 4.956 1.756 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.105 7.071 2.084 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.121 5.226 3.215 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.037 3.944 3.804 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.047 5.535 4.600 1.00 0.00 H new ATOM 911 N HIS A 64 -0.161 3.209 4.540 1.00 0.00 N ATOM 912 CA HIS A 64 0.068 1.782 4.738 1.00 0.00 C ATOM 913 C HIS A 64 -1.196 1.095 5.243 1.00 0.00 C ATOM 914 O HIS A 64 -1.690 1.402 6.329 1.00 0.00 O ATOM 915 CB HIS A 64 1.213 1.559 5.726 1.00 0.00 C ATOM 916 CG HIS A 64 2.418 2.404 5.446 1.00 0.00 C ATOM 917 ND1 HIS A 64 3.281 2.161 4.399 1.00 0.00 N ATOM 918 CD2 HIS A 64 2.901 3.496 6.083 1.00 0.00 C ATOM 919 CE1 HIS A 64 4.244 3.065 4.405 1.00 0.00 C ATOM 920 NE2 HIS A 64 4.037 3.887 5.417 1.00 0.00 N ATOM 0 H HIS A 64 -0.089 3.769 5.389 1.00 0.00 H new ATOM 0 HA HIS A 64 0.339 1.346 3.776 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.858 1.770 6.735 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.503 0.508 5.703 1.00 0.00 H new ATOM 0 HD1 HIS A 64 3.190 1.401 3.725 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.473 3.972 6.953 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.062 3.122 3.702 1.00 0.00 H new ATOM 929 N ILE A 65 -1.715 0.164 4.450 1.00 0.00 N ATOM 930 CA ILE A 65 -2.922 -0.567 4.817 1.00 0.00 C ATOM 931 C ILE A 65 -2.637 -2.059 4.965 1.00 0.00 C ATOM 932 O ILE A 65 -2.441 -2.765 3.976 1.00 0.00 O ATOM 933 CB ILE A 65 -4.039 -0.370 3.777 1.00 0.00 C ATOM 934 CG1 ILE A 65 -4.316 1.122 3.571 1.00 0.00 C ATOM 935 CG2 ILE A 65 -5.304 -1.094 4.213 1.00 0.00 C ATOM 936 CD1 ILE A 65 -4.840 1.453 2.191 1.00 0.00 C ATOM 0 H ILE A 65 -1.319 -0.102 3.549 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.255 -0.166 5.774 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.711 -0.794 2.828 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.039 1.455 4.315 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.397 1.682 3.746 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.084 -0.945 3.467 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.097 -2.159 4.314 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.638 -0.697 5.172 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.014 2.526 2.116 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.108 1.151 1.442 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.776 0.921 2.020 1.00 0.00 H new ATOM 948 N LYS A 66 -2.618 -2.532 6.206 1.00 0.00 N ATOM 949 CA LYS A 66 -2.363 -3.940 6.484 1.00 0.00 C ATOM 950 C LYS A 66 -3.225 -4.836 5.602 1.00 0.00 C ATOM 951 O LYS A 66 -4.362 -4.493 5.275 1.00 0.00 O ATOM 952 CB LYS A 66 -2.633 -4.247 7.960 1.00 0.00 C ATOM 953 CG LYS A 66 -1.697 -3.524 8.913 1.00 0.00 C ATOM 954 CD LYS A 66 -2.347 -2.281 9.497 1.00 0.00 C ATOM 955 CE LYS A 66 -3.060 -2.587 10.805 1.00 0.00 C ATOM 956 NZ LYS A 66 -4.060 -1.539 11.150 1.00 0.00 N ATOM 0 H LYS A 66 -2.776 -1.960 7.036 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.315 -4.143 6.262 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.661 -3.974 8.197 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.543 -5.321 8.121 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.407 -4.197 9.720 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.784 -3.245 8.386 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.588 -1.517 9.665 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.059 -1.871 8.781 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.558 -3.554 10.730 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.327 -2.668 11.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.524 -1.784 12.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.581 -0.621 11.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.774 -1.479 10.396 1.00 0.00 H new ATOM 970 N VAL A 67 -2.679 -5.985 5.219 1.00 0.00 N ATOM 971 CA VAL A 67 -3.400 -6.931 4.376 1.00 0.00 C ATOM 972 C VAL A 67 -3.337 -8.341 4.954 1.00 0.00 C ATOM 973 O VAL A 67 -2.340 -9.043 4.796 1.00 0.00 O ATOM 974 CB VAL A 67 -2.836 -6.950 2.943 1.00 0.00 C ATOM 975 CG1 VAL A 67 -3.587 -7.957 2.086 1.00 0.00 C ATOM 976 CG2 VAL A 67 -2.900 -5.560 2.327 1.00 0.00 C ATOM 0 H VAL A 67 -1.739 -6.284 5.479 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.438 -6.600 4.345 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.791 -7.255 2.987 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.174 -7.956 1.077 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.484 -8.952 2.519 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.642 -7.686 2.047 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.497 -5.592 1.315 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.936 -5.224 2.295 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.312 -4.868 2.930 1.00 0.00 H new ATOM 986 N MET A 68 -4.412 -8.748 5.623 1.00 0.00 N ATOM 987 CA MET A 68 -4.479 -10.075 6.223 1.00 0.00 C ATOM 988 C MET A 68 -4.713 -11.143 5.158 1.00 0.00 C ATOM 989 O MET A 68 -5.536 -10.965 4.259 1.00 0.00 O ATOM 990 CB MET A 68 -5.594 -10.129 7.269 1.00 0.00 C ATOM 991 CG MET A 68 -5.226 -9.460 8.584 1.00 0.00 C ATOM 992 SD MET A 68 -6.591 -9.447 9.762 1.00 0.00 S ATOM 993 CE MET A 68 -7.472 -7.977 9.243 1.00 0.00 C ATOM 0 H MET A 68 -5.247 -8.179 5.763 1.00 0.00 H new ATOM 0 HA MET A 68 -3.524 -10.275 6.709 1.00 0.00 H new ATOM 0 HB2 MET A 68 -6.485 -9.650 6.864 1.00 0.00 H new ATOM 0 HB3 MET A 68 -5.852 -11.171 7.460 1.00 0.00 H new ATOM 0 HG2 MET A 68 -4.375 -9.979 9.025 1.00 0.00 H new ATOM 0 HG3 MET A 68 -4.909 -8.435 8.390 1.00 0.00 H new ATOM 0 HE1 MET A 68 -8.346 -7.833 9.878 1.00 0.00 H new ATOM 0 HE2 MET A 68 -6.816 -7.111 9.327 1.00 0.00 H new ATOM 0 HE3 MET A 68 -7.792 -8.091 8.207 1.00 0.00 H new ATOM 1003 N CYS A 69 -3.985 -12.248 5.264 1.00 0.00 N ATOM 1004 CA CYS A 69 -4.113 -13.343 4.309 1.00 0.00 C ATOM 1005 C CYS A 69 -4.344 -14.668 5.029 1.00 0.00 C ATOM 1006 O CYS A 69 -3.456 -15.176 5.712 1.00 0.00 O ATOM 1007 CB CYS A 69 -2.861 -13.435 3.436 1.00 0.00 C ATOM 1008 SG CYS A 69 -2.837 -14.863 2.327 1.00 0.00 S ATOM 0 H CYS A 69 -3.300 -12.410 6.002 1.00 0.00 H new ATOM 0 HA CYS A 69 -4.975 -13.140 3.674 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -2.778 -12.525 2.841 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.983 -13.475 4.081 1.00 0.00 H new ATOM 0 HG CYS A 69 -2.497 -14.479 1.133 1.00 0.00 H new ATOM 1043 N ARG A 73 -6.486 -16.370 0.734 1.00 0.00 N ATOM 1044 CA ARG A 73 -7.241 -15.155 0.449 1.00 0.00 C ATOM 1045 C ARG A 73 -6.550 -13.932 1.043 1.00 0.00 C ATOM 1046 O ARG A 73 -5.483 -14.043 1.648 1.00 0.00 O ATOM 1047 CB ARG A 73 -8.663 -15.271 1.002 1.00 0.00 C ATOM 1048 CG ARG A 73 -9.415 -16.492 0.498 1.00 0.00 C ATOM 1049 CD ARG A 73 -10.427 -16.985 1.521 1.00 0.00 C ATOM 1050 NE ARG A 73 -9.819 -17.879 2.503 1.00 0.00 N ATOM 1051 CZ ARG A 73 -10.442 -18.299 3.598 1.00 0.00 C ATOM 1052 NH1 ARG A 73 -11.683 -17.908 3.851 1.00 0.00 N ATOM 1053 NH2 ARG A 73 -9.823 -19.113 4.446 1.00 0.00 N ATOM 0 HA ARG A 73 -7.288 -15.033 -0.633 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -8.619 -15.306 2.091 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -9.222 -14.374 0.734 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -9.927 -16.247 -0.433 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -8.707 -17.289 0.272 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.870 -16.131 2.033 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -11.237 -17.505 1.009 1.00 0.00 H new ATOM 0 HE ARG A 73 -8.864 -18.198 2.339 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -12.163 -17.282 3.204 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -12.158 -18.233 4.693 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -8.868 -19.416 4.257 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -10.303 -19.435 5.287 1.00 0.00 H new ATOM 1067 N TYR A 74 -7.165 -12.769 0.867 1.00 0.00 N ATOM 1068 CA TYR A 74 -6.608 -11.523 1.384 1.00 0.00 C ATOM 1069 C TYR A 74 -7.716 -10.543 1.755 1.00 0.00 C ATOM 1070 O TYR A 74 -8.738 -10.456 1.074 1.00 0.00 O ATOM 1071 CB TYR A 74 -5.675 -10.890 0.350 1.00 0.00 C ATOM 1072 CG TYR A 74 -4.519 -11.779 -0.047 1.00 0.00 C ATOM 1073 CD1 TYR A 74 -3.320 -11.750 0.654 1.00 0.00 C ATOM 1074 CD2 TYR A 74 -4.625 -12.651 -1.124 1.00 0.00 C ATOM 1075 CE1 TYR A 74 -2.261 -12.560 0.294 1.00 0.00 C ATOM 1076 CE2 TYR A 74 -3.572 -13.466 -1.491 1.00 0.00 C ATOM 1077 CZ TYR A 74 -2.392 -13.417 -0.780 1.00 0.00 C ATOM 1078 OH TYR A 74 -1.340 -14.226 -1.141 1.00 0.00 O ATOM 0 H TYR A 74 -8.049 -12.662 0.370 1.00 0.00 H new ATOM 0 HA TYR A 74 -6.038 -11.755 2.284 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.251 -10.638 -0.540 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.283 -9.955 0.751 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -3.214 -11.082 1.496 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.547 -12.692 -1.684 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.336 -12.523 0.850 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.673 -14.138 -2.330 1.00 0.00 H new ATOM 0 HH TYR A 74 -1.596 -14.769 -1.916 1.00 0.00 H new ATOM 1088 N THR A 75 -7.505 -9.804 2.840 1.00 0.00 N ATOM 1089 CA THR A 75 -8.485 -8.829 3.303 1.00 0.00 C ATOM 1090 C THR A 75 -7.806 -7.655 3.998 1.00 0.00 C ATOM 1091 O THR A 75 -6.592 -7.660 4.203 1.00 0.00 O ATOM 1092 CB THR A 75 -9.499 -9.468 4.271 1.00 0.00 C ATOM 1093 OG1 THR A 75 -10.467 -8.494 4.679 1.00 0.00 O ATOM 1094 CG2 THR A 75 -8.795 -10.036 5.494 1.00 0.00 C ATOM 0 H THR A 75 -6.664 -9.862 3.414 1.00 0.00 H new ATOM 0 HA THR A 75 -9.014 -8.469 2.421 1.00 0.00 H new ATOM 0 HB THR A 75 -10.002 -10.283 3.751 1.00 0.00 H new ATOM 0 HG1 THR A 75 -10.559 -8.513 5.655 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.531 -10.482 6.163 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.080 -10.797 5.182 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.269 -9.236 6.015 1.00 0.00 H new ATOM 1102 N VAL A 76 -8.596 -6.650 4.360 1.00 0.00 N ATOM 1103 CA VAL A 76 -8.071 -5.469 5.035 1.00 0.00 C ATOM 1104 C VAL A 76 -8.972 -5.051 6.193 1.00 0.00 C ATOM 1105 O VAL A 76 -10.105 -4.619 5.986 1.00 0.00 O ATOM 1106 CB VAL A 76 -7.924 -4.285 4.061 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -6.757 -4.516 3.112 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -9.215 -4.067 3.287 1.00 0.00 C ATOM 0 H VAL A 76 -9.603 -6.630 4.197 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.088 -5.737 5.422 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.719 -3.385 4.640 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.669 -3.669 2.431 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.836 -4.618 3.686 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.929 -5.426 2.538 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -9.092 -3.226 2.604 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.454 -4.965 2.718 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.025 -3.853 3.984 1.00 0.00 H new ATOM 1118 N GLY A 77 -8.458 -5.183 7.412 1.00 0.00 N ATOM 1119 CA GLY A 77 -9.229 -4.815 8.585 1.00 0.00 C ATOM 1120 C GLY A 77 -10.695 -5.179 8.453 1.00 0.00 C ATOM 1121 O GLY A 77 -11.552 -4.567 9.087 1.00 0.00 O ATOM 0 H GLY A 77 -7.522 -5.538 7.608 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.812 -5.312 9.461 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.138 -3.742 8.754 1.00 0.00 H new ATOM 1125 N GLY A 78 -10.982 -6.181 7.626 1.00 0.00 N ATOM 1126 CA GLY A 78 -12.355 -6.607 7.428 1.00 0.00 C ATOM 1127 C GLY A 78 -12.461 -8.080 7.089 1.00 0.00 C ATOM 1128 O GLY A 78 -11.474 -8.814 7.157 1.00 0.00 O ATOM 0 H GLY A 78 -10.289 -6.704 7.091 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -12.929 -6.403 8.332 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -12.803 -6.020 6.626 1.00 0.00 H new ATOM 1132 N LEU A 79 -13.662 -8.517 6.725 1.00 0.00 N ATOM 1133 CA LEU A 79 -13.894 -9.914 6.376 1.00 0.00 C ATOM 1134 C LEU A 79 -13.663 -10.150 4.886 1.00 0.00 C ATOM 1135 O LEU A 79 -13.229 -11.225 4.478 1.00 0.00 O ATOM 1136 CB LEU A 79 -15.318 -10.326 6.753 1.00 0.00 C ATOM 1137 CG LEU A 79 -16.443 -9.509 6.116 1.00 0.00 C ATOM 1138 CD1 LEU A 79 -16.875 -10.134 4.798 1.00 0.00 C ATOM 1139 CD2 LEU A 79 -17.625 -9.396 7.068 1.00 0.00 C ATOM 0 H LEU A 79 -14.490 -7.924 6.664 1.00 0.00 H new ATOM 0 HA LEU A 79 -13.185 -10.524 6.936 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -15.456 -11.372 6.481 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -15.419 -10.263 7.837 1.00 0.00 H new ATOM 0 HG LEU A 79 -16.068 -8.506 5.914 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -17.676 -9.540 4.359 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -16.027 -10.162 4.114 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -17.232 -11.148 4.976 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -18.416 -8.811 6.598 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -18.000 -10.392 7.302 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -17.307 -8.903 7.987 1.00 0.00 H new ATOM 1151 N GLU A 80 -13.954 -9.133 4.080 1.00 0.00 N ATOM 1152 CA GLU A 80 -13.777 -9.230 2.635 1.00 0.00 C ATOM 1153 C GLU A 80 -12.474 -9.946 2.295 1.00 0.00 C ATOM 1154 O GLU A 80 -11.402 -9.338 2.282 1.00 0.00 O ATOM 1155 CB GLU A 80 -13.787 -7.836 2.005 1.00 0.00 C ATOM 1156 CG GLU A 80 -15.171 -7.216 1.919 1.00 0.00 C ATOM 1157 CD GLU A 80 -15.127 -5.723 1.653 1.00 0.00 C ATOM 1158 OE1 GLU A 80 -14.685 -4.975 2.551 1.00 0.00 O ATOM 1159 OE2 GLU A 80 -15.535 -5.303 0.551 1.00 0.00 O ATOM 0 H GLU A 80 -14.313 -8.234 4.402 1.00 0.00 H new ATOM 0 HA GLU A 80 -14.606 -9.810 2.229 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -13.140 -7.179 2.586 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.363 -7.897 1.003 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -15.736 -7.706 1.126 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -15.706 -7.399 2.851 1.00 0.00 H new ATOM 1166 N THR A 81 -12.572 -11.242 2.017 1.00 0.00 N ATOM 1167 CA THR A 81 -11.403 -12.042 1.678 1.00 0.00 C ATOM 1168 C THR A 81 -11.402 -12.416 0.200 1.00 0.00 C ATOM 1169 O THR A 81 -12.100 -13.341 -0.216 1.00 0.00 O ATOM 1170 CB THR A 81 -11.338 -13.329 2.521 1.00 0.00 C ATOM 1171 OG1 THR A 81 -12.643 -13.906 2.637 1.00 0.00 O ATOM 1172 CG2 THR A 81 -10.782 -13.041 3.908 1.00 0.00 C ATOM 0 H THR A 81 -13.451 -11.760 2.020 1.00 0.00 H new ATOM 0 HA THR A 81 -10.528 -11.430 1.896 1.00 0.00 H new ATOM 0 HB THR A 81 -10.673 -14.032 2.018 1.00 0.00 H new ATOM 0 HG1 THR A 81 -13.050 -13.977 1.748 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.746 -13.965 4.485 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.777 -12.629 3.819 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.425 -12.322 4.416 1.00 0.00 H new ATOM 1180 N PHE A 82 -10.614 -11.692 -0.589 1.00 0.00 N ATOM 1181 CA PHE A 82 -10.524 -11.949 -2.022 1.00 0.00 C ATOM 1182 C PHE A 82 -9.747 -13.233 -2.297 1.00 0.00 C ATOM 1183 O PHE A 82 -8.988 -13.705 -1.450 1.00 0.00 O ATOM 1184 CB PHE A 82 -9.852 -10.771 -2.730 1.00 0.00 C ATOM 1185 CG PHE A 82 -10.494 -9.446 -2.432 1.00 0.00 C ATOM 1186 CD1 PHE A 82 -10.204 -8.768 -1.259 1.00 0.00 C ATOM 1187 CD2 PHE A 82 -11.390 -8.879 -3.325 1.00 0.00 C ATOM 1188 CE1 PHE A 82 -10.793 -7.549 -0.983 1.00 0.00 C ATOM 1189 CE2 PHE A 82 -11.981 -7.660 -3.054 1.00 0.00 C ATOM 1190 CZ PHE A 82 -11.684 -6.995 -1.881 1.00 0.00 C ATOM 0 H PHE A 82 -10.029 -10.924 -0.261 1.00 0.00 H new ATOM 0 HA PHE A 82 -11.536 -12.068 -2.409 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -8.803 -10.732 -2.436 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -9.875 -10.943 -3.806 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -9.509 -9.197 -0.552 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -11.629 -9.396 -4.243 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.557 -7.030 -0.066 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -12.675 -7.227 -3.759 1.00 0.00 H new ATOM 0 HZ PHE A 82 -12.148 -6.043 -1.666 1.00 0.00 H new ATOM 1200 N ASP A 83 -9.944 -13.793 -3.485 1.00 0.00 N ATOM 1201 CA ASP A 83 -9.261 -15.022 -3.873 1.00 0.00 C ATOM 1202 C ASP A 83 -7.750 -14.818 -3.906 1.00 0.00 C ATOM 1203 O ASP A 83 -6.984 -15.716 -3.559 1.00 0.00 O ATOM 1204 CB ASP A 83 -9.756 -15.494 -5.241 1.00 0.00 C ATOM 1205 CG ASP A 83 -9.553 -16.983 -5.447 1.00 0.00 C ATOM 1206 OD1 ASP A 83 -8.426 -17.465 -5.212 1.00 0.00 O ATOM 1207 OD2 ASP A 83 -10.521 -17.664 -5.845 1.00 0.00 O ATOM 0 H ASP A 83 -10.571 -13.416 -4.196 1.00 0.00 H new ATOM 0 HA ASP A 83 -9.488 -15.786 -3.129 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -10.815 -15.257 -5.343 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -9.230 -14.947 -6.023 1.00 0.00 H new ATOM 1212 N SER A 84 -7.328 -13.630 -4.329 1.00 0.00 N ATOM 1213 CA SER A 84 -5.908 -13.309 -4.414 1.00 0.00 C ATOM 1214 C SER A 84 -5.694 -11.799 -4.456 1.00 0.00 C ATOM 1215 O SER A 84 -6.603 -11.041 -4.797 1.00 0.00 O ATOM 1216 CB SER A 84 -5.290 -13.958 -5.654 1.00 0.00 C ATOM 1217 OG SER A 84 -5.049 -15.338 -5.441 1.00 0.00 O ATOM 0 H SER A 84 -7.949 -12.874 -4.618 1.00 0.00 H new ATOM 0 HA SER A 84 -5.418 -13.703 -3.524 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.957 -13.830 -6.506 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.355 -13.456 -5.903 1.00 0.00 H new ATOM 0 HG SER A 84 -5.604 -15.656 -4.699 1.00 0.00 H new ATOM 1223 N LEU A 85 -4.486 -11.369 -4.107 1.00 0.00 N ATOM 1224 CA LEU A 85 -4.150 -9.950 -4.105 1.00 0.00 C ATOM 1225 C LEU A 85 -4.543 -9.295 -5.425 1.00 0.00 C ATOM 1226 O LEU A 85 -5.042 -8.169 -5.449 1.00 0.00 O ATOM 1227 CB LEU A 85 -2.654 -9.760 -3.854 1.00 0.00 C ATOM 1228 CG LEU A 85 -2.226 -9.667 -2.388 1.00 0.00 C ATOM 1229 CD1 LEU A 85 -0.725 -9.873 -2.257 1.00 0.00 C ATOM 1230 CD2 LEU A 85 -2.636 -8.325 -1.797 1.00 0.00 C ATOM 0 H LEU A 85 -3.723 -11.983 -3.822 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.710 -9.471 -3.302 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.120 -10.591 -4.316 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.333 -8.852 -4.364 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.731 -10.456 -1.831 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.438 -9.804 -1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.458 -10.857 -2.642 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.201 -9.106 -2.828 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.324 -8.276 -0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.159 -7.520 -2.357 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.719 -8.217 -1.857 1.00 0.00 H new ATOM 1242 N THR A 86 -4.317 -10.008 -6.523 1.00 0.00 N ATOM 1243 CA THR A 86 -4.648 -9.498 -7.848 1.00 0.00 C ATOM 1244 C THR A 86 -6.105 -9.055 -7.918 1.00 0.00 C ATOM 1245 O THR A 86 -6.445 -8.115 -8.638 1.00 0.00 O ATOM 1246 CB THR A 86 -4.392 -10.555 -8.938 1.00 0.00 C ATOM 1247 OG1 THR A 86 -3.003 -10.903 -8.966 1.00 0.00 O ATOM 1248 CG2 THR A 86 -4.819 -10.038 -10.305 1.00 0.00 C ATOM 0 H THR A 86 -3.906 -10.941 -6.521 1.00 0.00 H new ATOM 0 HA THR A 86 -4.001 -8.640 -8.027 1.00 0.00 H new ATOM 0 HB THR A 86 -4.983 -11.440 -8.701 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.849 -11.577 -9.661 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.629 -10.802 -11.059 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.883 -9.802 -10.289 1.00 0.00 H new ATOM 0 HG23 THR A 86 -4.252 -9.140 -10.548 1.00 0.00 H new ATOM 1256 N ASP A 87 -6.963 -9.736 -7.167 1.00 0.00 N ATOM 1257 CA ASP A 87 -8.384 -9.411 -7.142 1.00 0.00 C ATOM 1258 C ASP A 87 -8.678 -8.331 -6.105 1.00 0.00 C ATOM 1259 O ASP A 87 -9.374 -7.355 -6.389 1.00 0.00 O ATOM 1260 CB ASP A 87 -9.210 -10.663 -6.841 1.00 0.00 C ATOM 1261 CG ASP A 87 -10.588 -10.613 -7.471 1.00 0.00 C ATOM 1262 OD1 ASP A 87 -11.307 -9.616 -7.248 1.00 0.00 O ATOM 1263 OD2 ASP A 87 -10.947 -11.570 -8.188 1.00 0.00 O ATOM 0 H ASP A 87 -6.699 -10.517 -6.567 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.661 -9.030 -8.125 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.678 -11.542 -7.206 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.311 -10.777 -5.762 1.00 0.00 H new ATOM 1268 N LEU A 88 -8.142 -8.512 -4.903 1.00 0.00 N ATOM 1269 CA LEU A 88 -8.347 -7.554 -3.822 1.00 0.00 C ATOM 1270 C LEU A 88 -7.884 -6.160 -4.235 1.00 0.00 C ATOM 1271 O LEU A 88 -8.488 -5.156 -3.857 1.00 0.00 O ATOM 1272 CB LEU A 88 -7.595 -8.002 -2.567 1.00 0.00 C ATOM 1273 CG LEU A 88 -7.559 -6.999 -1.413 1.00 0.00 C ATOM 1274 CD1 LEU A 88 -7.535 -7.726 -0.077 1.00 0.00 C ATOM 1275 CD2 LEU A 88 -6.354 -6.079 -1.544 1.00 0.00 C ATOM 0 H LEU A 88 -7.562 -9.313 -4.652 1.00 0.00 H new ATOM 0 HA LEU A 88 -9.414 -7.513 -3.604 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -8.049 -8.925 -2.206 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.569 -8.240 -2.848 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.462 -6.390 -1.456 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.509 -6.997 0.733 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -8.429 -8.343 0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.650 -8.359 -0.023 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.344 -5.372 -0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.440 -6.672 -1.526 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.414 -5.533 -2.486 1.00 0.00 H new ATOM 1287 N VAL A 89 -6.809 -6.106 -5.015 1.00 0.00 N ATOM 1288 CA VAL A 89 -6.266 -4.836 -5.483 1.00 0.00 C ATOM 1289 C VAL A 89 -7.034 -4.324 -6.696 1.00 0.00 C ATOM 1290 O VAL A 89 -7.439 -3.163 -6.741 1.00 0.00 O ATOM 1291 CB VAL A 89 -4.775 -4.963 -5.848 1.00 0.00 C ATOM 1292 CG1 VAL A 89 -4.278 -3.688 -6.511 1.00 0.00 C ATOM 1293 CG2 VAL A 89 -3.950 -5.289 -4.612 1.00 0.00 C ATOM 0 H VAL A 89 -6.297 -6.927 -5.336 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.372 -4.125 -4.663 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.660 -5.782 -6.559 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.223 -3.796 -6.762 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.850 -3.504 -7.420 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.404 -2.849 -5.827 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.899 -5.375 -4.888 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.068 -4.494 -3.876 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.291 -6.232 -4.185 1.00 0.00 H new ATOM 1303 N GLU A 90 -7.230 -5.199 -7.678 1.00 0.00 N ATOM 1304 CA GLU A 90 -7.949 -4.834 -8.892 1.00 0.00 C ATOM 1305 C GLU A 90 -9.344 -4.310 -8.563 1.00 0.00 C ATOM 1306 O GLU A 90 -9.978 -3.643 -9.380 1.00 0.00 O ATOM 1307 CB GLU A 90 -8.054 -6.038 -9.831 1.00 0.00 C ATOM 1308 CG GLU A 90 -6.824 -6.243 -10.699 1.00 0.00 C ATOM 1309 CD GLU A 90 -6.458 -5.004 -11.493 1.00 0.00 C ATOM 1310 OE1 GLU A 90 -7.355 -4.169 -11.734 1.00 0.00 O ATOM 1311 OE2 GLU A 90 -5.276 -4.870 -11.874 1.00 0.00 O ATOM 0 H GLU A 90 -6.901 -6.164 -7.656 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.390 -4.041 -9.389 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.223 -6.937 -9.238 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.925 -5.912 -10.474 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.982 -6.528 -10.068 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.002 -7.071 -11.386 1.00 0.00 H new ATOM 1318 N HIS A 91 -9.816 -4.618 -7.359 1.00 0.00 N ATOM 1319 CA HIS A 91 -11.136 -4.178 -6.919 1.00 0.00 C ATOM 1320 C HIS A 91 -11.093 -2.732 -6.436 1.00 0.00 C ATOM 1321 O HIS A 91 -12.035 -1.968 -6.647 1.00 0.00 O ATOM 1322 CB HIS A 91 -11.653 -5.086 -5.803 1.00 0.00 C ATOM 1323 CG HIS A 91 -12.996 -4.683 -5.277 1.00 0.00 C ATOM 1324 ND1 HIS A 91 -14.169 -4.886 -5.973 1.00 0.00 N ATOM 1325 CD2 HIS A 91 -13.348 -4.085 -4.115 1.00 0.00 C ATOM 1326 CE1 HIS A 91 -15.185 -4.429 -5.261 1.00 0.00 C ATOM 1327 NE2 HIS A 91 -14.713 -3.938 -4.130 1.00 0.00 N ATOM 0 H HIS A 91 -9.305 -5.170 -6.671 1.00 0.00 H new ATOM 0 HA HIS A 91 -11.815 -4.238 -7.770 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -11.710 -6.109 -6.175 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -10.935 -5.084 -4.983 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -12.680 -3.780 -3.323 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -16.224 -4.453 -5.555 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -15.272 -3.518 -3.388 1.00 0.00 H new ATOM 1336 N PHE A 92 -9.995 -2.362 -5.786 1.00 0.00 N ATOM 1337 CA PHE A 92 -9.831 -1.007 -5.271 1.00 0.00 C ATOM 1338 C PHE A 92 -9.280 -0.079 -6.349 1.00 0.00 C ATOM 1339 O PHE A 92 -9.421 1.141 -6.266 1.00 0.00 O ATOM 1340 CB PHE A 92 -8.897 -1.010 -4.058 1.00 0.00 C ATOM 1341 CG PHE A 92 -9.558 -1.481 -2.794 1.00 0.00 C ATOM 1342 CD1 PHE A 92 -10.770 -0.946 -2.389 1.00 0.00 C ATOM 1343 CD2 PHE A 92 -8.967 -2.460 -2.011 1.00 0.00 C ATOM 1344 CE1 PHE A 92 -11.382 -1.378 -1.227 1.00 0.00 C ATOM 1345 CE2 PHE A 92 -9.574 -2.895 -0.848 1.00 0.00 C ATOM 1346 CZ PHE A 92 -10.781 -2.353 -0.455 1.00 0.00 C ATOM 0 H PHE A 92 -9.205 -2.981 -5.603 1.00 0.00 H new ATOM 0 HA PHE A 92 -10.811 -0.639 -4.966 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -8.040 -1.649 -4.271 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.512 -0.002 -3.903 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -11.243 -0.182 -2.988 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -8.022 -2.887 -2.313 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -12.328 -0.954 -0.924 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -9.104 -3.659 -0.247 1.00 0.00 H new ATOM 0 HZ PHE A 92 -11.255 -2.691 0.455 1.00 0.00 H new ATOM 1356 N LYS A 93 -8.649 -0.666 -7.361 1.00 0.00 N ATOM 1357 CA LYS A 93 -8.076 0.106 -8.457 1.00 0.00 C ATOM 1358 C LYS A 93 -9.167 0.830 -9.241 1.00 0.00 C ATOM 1359 O LYS A 93 -8.910 1.843 -9.892 1.00 0.00 O ATOM 1360 CB LYS A 93 -7.282 -0.808 -9.392 1.00 0.00 C ATOM 1361 CG LYS A 93 -5.915 -1.191 -8.852 1.00 0.00 C ATOM 1362 CD LYS A 93 -5.196 -2.151 -9.785 1.00 0.00 C ATOM 1363 CE LYS A 93 -4.683 -1.441 -11.029 1.00 0.00 C ATOM 1364 NZ LYS A 93 -3.548 -0.530 -10.720 1.00 0.00 N ATOM 0 H LYS A 93 -8.522 -1.675 -7.444 1.00 0.00 H new ATOM 0 HA LYS A 93 -7.404 0.851 -8.031 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -7.858 -1.715 -9.575 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.157 -0.310 -10.353 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.312 -0.293 -8.717 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.026 -1.651 -7.870 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -4.361 -2.614 -9.259 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -5.874 -2.953 -10.076 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.365 -2.181 -11.764 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -5.494 -0.870 -11.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -3.776 0.431 -11.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -3.382 -0.517 -9.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -2.691 -0.866 -11.205 1.00 0.00 H new ATOM 1378 N LYS A 94 -10.385 0.303 -9.175 1.00 0.00 N ATOM 1379 CA LYS A 94 -11.516 0.899 -9.875 1.00 0.00 C ATOM 1380 C LYS A 94 -12.417 1.660 -8.908 1.00 0.00 C ATOM 1381 O LYS A 94 -12.898 2.750 -9.216 1.00 0.00 O ATOM 1382 CB LYS A 94 -12.323 -0.182 -10.598 1.00 0.00 C ATOM 1383 CG LYS A 94 -12.526 -1.441 -9.772 1.00 0.00 C ATOM 1384 CD LYS A 94 -13.342 -2.477 -10.528 1.00 0.00 C ATOM 1385 CE LYS A 94 -14.091 -3.397 -9.578 1.00 0.00 C ATOM 1386 NZ LYS A 94 -15.440 -2.863 -9.236 1.00 0.00 N ATOM 0 H LYS A 94 -10.614 -0.537 -8.643 1.00 0.00 H new ATOM 0 HA LYS A 94 -11.125 1.604 -10.609 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -13.297 0.225 -10.871 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -11.815 -0.444 -11.526 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -11.557 -1.863 -9.506 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -13.031 -1.188 -8.840 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -14.052 -1.974 -11.185 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -12.683 -3.068 -11.164 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -14.195 -4.382 -10.033 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -13.510 -3.527 -8.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -15.799 -3.345 -8.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -15.373 -1.842 -9.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -16.091 -3.029 -10.030 1.00 0.00 H new ATOM 1400 N THR A 95 -12.642 1.077 -7.734 1.00 0.00 N ATOM 1401 CA THR A 95 -13.484 1.699 -6.721 1.00 0.00 C ATOM 1402 C THR A 95 -12.667 2.603 -5.805 1.00 0.00 C ATOM 1403 O THR A 95 -13.030 3.755 -5.568 1.00 0.00 O ATOM 1404 CB THR A 95 -14.208 0.642 -5.865 1.00 0.00 C ATOM 1405 OG1 THR A 95 -13.256 -0.107 -5.102 1.00 0.00 O ATOM 1406 CG2 THR A 95 -15.017 -0.301 -6.743 1.00 0.00 C ATOM 0 H THR A 95 -12.252 0.175 -7.462 1.00 0.00 H new ATOM 0 HA THR A 95 -14.225 2.297 -7.251 1.00 0.00 H new ATOM 0 HB THR A 95 -14.889 1.158 -5.188 1.00 0.00 H new ATOM 0 HG1 THR A 95 -12.921 -0.855 -5.640 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.520 -1.039 -6.118 1.00 0.00 H new ATOM 0 HG22 THR A 95 -15.760 0.269 -7.301 1.00 0.00 H new ATOM 0 HG23 THR A 95 -14.351 -0.810 -7.441 1.00 0.00 H new ATOM 1414 N GLY A 96 -11.560 2.074 -5.293 1.00 0.00 N ATOM 1415 CA GLY A 96 -10.708 2.848 -4.409 1.00 0.00 C ATOM 1416 C GLY A 96 -10.858 2.443 -2.957 1.00 0.00 C ATOM 1417 O GLY A 96 -11.882 1.881 -2.565 1.00 0.00 O ATOM 0 H GLY A 96 -11.238 1.123 -5.475 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -9.668 2.724 -4.712 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.947 3.906 -4.514 1.00 0.00 H new ATOM 1421 N ILE A 97 -9.836 2.727 -2.156 1.00 0.00 N ATOM 1422 CA ILE A 97 -9.859 2.387 -0.739 1.00 0.00 C ATOM 1423 C ILE A 97 -10.258 3.591 0.109 1.00 0.00 C ATOM 1424 O ILE A 97 -9.666 4.664 -0.004 1.00 0.00 O ATOM 1425 CB ILE A 97 -8.491 1.868 -0.262 1.00 0.00 C ATOM 1426 CG1 ILE A 97 -8.140 0.560 -0.973 1.00 0.00 C ATOM 1427 CG2 ILE A 97 -8.495 1.671 1.247 1.00 0.00 C ATOM 1428 CD1 ILE A 97 -6.746 0.060 -0.667 1.00 0.00 C ATOM 0 H ILE A 97 -8.982 3.192 -2.465 1.00 0.00 H new ATOM 0 HA ILE A 97 -10.600 1.597 -0.616 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.732 2.610 -0.510 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -8.862 -0.205 -0.687 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -8.237 0.704 -2.049 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -7.520 1.304 1.569 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -8.704 2.622 1.737 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -9.263 0.946 1.517 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.567 -0.871 -1.205 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.015 0.806 -0.979 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.650 -0.116 0.404 1.00 0.00 H new ATOM 1440 N GLU A 98 -11.263 3.403 0.958 1.00 0.00 N ATOM 1441 CA GLU A 98 -11.740 4.473 1.825 1.00 0.00 C ATOM 1442 C GLU A 98 -11.197 4.308 3.242 1.00 0.00 C ATOM 1443 O GLU A 98 -11.376 3.264 3.867 1.00 0.00 O ATOM 1444 CB GLU A 98 -13.269 4.497 1.852 1.00 0.00 C ATOM 1445 CG GLU A 98 -13.847 5.494 2.842 1.00 0.00 C ATOM 1446 CD GLU A 98 -13.874 6.909 2.296 1.00 0.00 C ATOM 1447 OE1 GLU A 98 -13.042 7.223 1.419 1.00 0.00 O ATOM 1448 OE2 GLU A 98 -14.727 7.701 2.745 1.00 0.00 O ATOM 0 H GLU A 98 -11.762 2.520 1.064 1.00 0.00 H new ATOM 0 HA GLU A 98 -11.377 5.419 1.423 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -13.637 4.734 0.854 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -13.635 3.500 2.098 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -14.860 5.191 3.107 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -13.258 5.473 3.759 1.00 0.00 H new ATOM 1455 N GLU A 99 -10.534 5.347 3.740 1.00 0.00 N ATOM 1456 CA GLU A 99 -9.964 5.315 5.083 1.00 0.00 C ATOM 1457 C GLU A 99 -11.042 5.554 6.137 1.00 0.00 C ATOM 1458 O GLU A 99 -11.941 6.373 5.946 1.00 0.00 O ATOM 1459 CB GLU A 99 -8.861 6.367 5.217 1.00 0.00 C ATOM 1460 CG GLU A 99 -7.482 5.853 4.842 1.00 0.00 C ATOM 1461 CD GLU A 99 -6.408 6.916 4.971 1.00 0.00 C ATOM 1462 OE1 GLU A 99 -6.253 7.471 6.079 1.00 0.00 O ATOM 1463 OE2 GLU A 99 -5.724 7.194 3.964 1.00 0.00 O ATOM 0 H GLU A 99 -10.378 6.220 3.235 1.00 0.00 H new ATOM 0 HA GLU A 99 -9.535 4.326 5.245 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -9.106 7.221 4.585 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -8.838 6.728 6.245 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -7.228 5.006 5.480 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -7.502 5.485 3.816 1.00 0.00 H new ATOM 1470 N ALA A 100 -10.944 4.834 7.249 1.00 0.00 N ATOM 1471 CA ALA A 100 -11.908 4.968 8.334 1.00 0.00 C ATOM 1472 C ALA A 100 -12.222 6.435 8.610 1.00 0.00 C ATOM 1473 O ALA A 100 -13.325 6.772 9.042 1.00 0.00 O ATOM 1474 CB ALA A 100 -11.384 4.292 9.593 1.00 0.00 C ATOM 0 H ALA A 100 -10.206 4.151 7.422 1.00 0.00 H new ATOM 0 HA ALA A 100 -12.832 4.476 8.029 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -12.114 4.400 10.395 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -11.217 3.233 9.395 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.445 4.758 9.892 1.00 0.00 H new ATOM 1480 N SER A 101 -11.246 7.302 8.360 1.00 0.00 N ATOM 1481 CA SER A 101 -11.418 8.733 8.586 1.00 0.00 C ATOM 1482 C SER A 101 -12.222 9.368 7.456 1.00 0.00 C ATOM 1483 O SER A 101 -13.097 10.200 7.693 1.00 0.00 O ATOM 1484 CB SER A 101 -10.056 9.418 8.707 1.00 0.00 C ATOM 1485 OG SER A 101 -10.166 10.655 9.389 1.00 0.00 O ATOM 0 H SER A 101 -10.328 7.039 8.001 1.00 0.00 H new ATOM 0 HA SER A 101 -11.967 8.866 9.518 1.00 0.00 H new ATOM 0 HB2 SER A 101 -9.364 8.766 9.239 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.639 9.583 7.714 1.00 0.00 H new ATOM 0 HG SER A 101 -9.282 11.072 9.455 1.00 0.00 H new ATOM 1491 N GLY A 102 -11.916 8.971 6.224 1.00 0.00 N ATOM 1492 CA GLY A 102 -12.619 9.513 5.075 1.00 0.00 C ATOM 1493 C GLY A 102 -11.751 9.555 3.833 1.00 0.00 C ATOM 1494 O GLY A 102 -12.251 9.438 2.715 1.00 0.00 O ATOM 0 H GLY A 102 -11.195 8.285 6.001 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.504 8.909 4.876 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -12.966 10.520 5.307 1.00 0.00 H new ATOM 1498 N ALA A 103 -10.447 9.722 4.029 1.00 0.00 N ATOM 1499 CA ALA A 103 -9.508 9.779 2.915 1.00 0.00 C ATOM 1500 C ALA A 103 -9.847 8.733 1.858 1.00 0.00 C ATOM 1501 O ALA A 103 -10.454 7.705 2.159 1.00 0.00 O ATOM 1502 CB ALA A 103 -8.084 9.586 3.415 1.00 0.00 C ATOM 0 H ALA A 103 -10.017 9.820 4.949 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.588 10.763 2.453 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.393 9.631 2.573 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.839 10.373 4.128 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.998 8.615 3.903 1.00 0.00 H new ATOM 1508 N PHE A 104 -9.450 9.002 0.619 1.00 0.00 N ATOM 1509 CA PHE A 104 -9.714 8.085 -0.485 1.00 0.00 C ATOM 1510 C PHE A 104 -8.428 7.757 -1.236 1.00 0.00 C ATOM 1511 O PHE A 104 -7.878 8.598 -1.947 1.00 0.00 O ATOM 1512 CB PHE A 104 -10.740 8.689 -1.445 1.00 0.00 C ATOM 1513 CG PHE A 104 -12.163 8.393 -1.066 1.00 0.00 C ATOM 1514 CD1 PHE A 104 -12.748 7.186 -1.410 1.00 0.00 C ATOM 1515 CD2 PHE A 104 -12.915 9.323 -0.365 1.00 0.00 C ATOM 1516 CE1 PHE A 104 -14.057 6.911 -1.064 1.00 0.00 C ATOM 1517 CE2 PHE A 104 -14.225 9.053 -0.015 1.00 0.00 C ATOM 1518 CZ PHE A 104 -14.797 7.845 -0.365 1.00 0.00 C ATOM 0 H PHE A 104 -8.944 9.847 0.354 1.00 0.00 H new ATOM 0 HA PHE A 104 -10.118 7.162 -0.070 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -10.599 9.769 -1.482 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -10.553 8.309 -2.449 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -12.174 6.451 -1.955 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -12.473 10.269 -0.089 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -14.502 5.966 -1.340 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -14.801 9.786 0.531 1.00 0.00 H new ATOM 0 HZ PHE A 104 -15.820 7.631 -0.093 1.00 0.00 H new ATOM 1528 N VAL A 105 -7.952 6.526 -1.075 1.00 0.00 N ATOM 1529 CA VAL A 105 -6.732 6.084 -1.739 1.00 0.00 C ATOM 1530 C VAL A 105 -7.038 5.465 -3.097 1.00 0.00 C ATOM 1531 O VAL A 105 -7.824 4.523 -3.199 1.00 0.00 O ATOM 1532 CB VAL A 105 -5.966 5.060 -0.881 1.00 0.00 C ATOM 1533 CG1 VAL A 105 -4.578 4.815 -1.454 1.00 0.00 C ATOM 1534 CG2 VAL A 105 -5.879 5.533 0.562 1.00 0.00 C ATOM 0 H VAL A 105 -8.394 5.817 -0.490 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.110 6.968 -1.879 1.00 0.00 H new ATOM 0 HB VAL A 105 -6.512 4.117 -0.898 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.052 4.089 -0.835 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.667 4.429 -2.470 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.020 5.751 -1.469 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.335 4.797 1.154 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.356 6.489 0.601 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -6.884 5.653 0.967 1.00 0.00 H new ATOM 1544 N TYR A 106 -6.413 6.001 -4.140 1.00 0.00 N ATOM 1545 CA TYR A 106 -6.620 5.501 -5.494 1.00 0.00 C ATOM 1546 C TYR A 106 -5.358 4.829 -6.026 1.00 0.00 C ATOM 1547 O TYR A 106 -4.281 5.425 -6.039 1.00 0.00 O ATOM 1548 CB TYR A 106 -7.032 6.643 -6.423 1.00 0.00 C ATOM 1549 CG TYR A 106 -8.146 7.503 -5.869 1.00 0.00 C ATOM 1550 CD1 TYR A 106 -9.328 6.934 -5.414 1.00 0.00 C ATOM 1551 CD2 TYR A 106 -8.015 8.885 -5.800 1.00 0.00 C ATOM 1552 CE1 TYR A 106 -10.349 7.715 -4.907 1.00 0.00 C ATOM 1553 CE2 TYR A 106 -9.029 9.674 -5.293 1.00 0.00 C ATOM 1554 CZ TYR A 106 -10.195 9.084 -4.849 1.00 0.00 C ATOM 1555 OH TYR A 106 -11.208 9.867 -4.343 1.00 0.00 O ATOM 0 H TYR A 106 -5.759 6.781 -4.074 1.00 0.00 H new ATOM 0 HA TYR A 106 -7.419 4.760 -5.462 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -6.163 7.271 -6.620 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -7.348 6.226 -7.379 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -9.452 5.862 -5.457 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -7.105 9.350 -6.149 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -11.262 7.256 -4.558 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -8.910 10.746 -5.244 1.00 0.00 H new ATOM 0 HH TYR A 106 -10.939 10.809 -4.372 1.00 0.00 H new ATOM 1565 N LEU A 107 -5.500 3.583 -6.465 1.00 0.00 N ATOM 1566 CA LEU A 107 -4.372 2.827 -6.999 1.00 0.00 C ATOM 1567 C LEU A 107 -4.465 2.710 -8.517 1.00 0.00 C ATOM 1568 O LEU A 107 -5.295 1.966 -9.042 1.00 0.00 O ATOM 1569 CB LEU A 107 -4.323 1.433 -6.371 1.00 0.00 C ATOM 1570 CG LEU A 107 -4.807 1.332 -4.923 1.00 0.00 C ATOM 1571 CD1 LEU A 107 -6.298 1.038 -4.879 1.00 0.00 C ATOM 1572 CD2 LEU A 107 -4.027 0.261 -4.174 1.00 0.00 C ATOM 0 H LEU A 107 -6.384 3.075 -6.462 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.457 3.363 -6.749 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.924 0.760 -6.982 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.295 1.072 -6.416 1.00 0.00 H new ATOM 0 HG LEU A 107 -4.632 2.290 -4.433 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.625 0.970 -3.841 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.842 1.840 -5.379 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.498 0.094 -5.385 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.384 0.203 -3.146 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.170 -0.703 -4.663 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -2.967 0.515 -4.176 1.00 0.00 H new ATOM 1584 N ARG A 108 -3.608 3.447 -9.216 1.00 0.00 N ATOM 1585 CA ARG A 108 -3.594 3.424 -10.674 1.00 0.00 C ATOM 1586 C ARG A 108 -2.207 3.064 -11.198 1.00 0.00 C ATOM 1587 O ARG A 108 -2.072 2.483 -12.274 1.00 0.00 O ATOM 1588 CB ARG A 108 -4.023 4.783 -11.230 1.00 0.00 C ATOM 1589 CG ARG A 108 -5.063 5.490 -10.375 1.00 0.00 C ATOM 1590 CD ARG A 108 -5.679 6.670 -11.110 1.00 0.00 C ATOM 1591 NE ARG A 108 -6.030 6.335 -12.488 1.00 0.00 N ATOM 1592 CZ ARG A 108 -7.139 5.687 -12.827 1.00 0.00 C ATOM 1593 NH1 ARG A 108 -8.000 5.306 -11.894 1.00 0.00 N ATOM 1594 NH2 ARG A 108 -7.388 5.418 -14.102 1.00 0.00 N ATOM 0 H ARG A 108 -2.915 4.067 -8.797 1.00 0.00 H new ATOM 0 HA ARG A 108 -4.299 2.663 -11.008 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -3.145 5.422 -11.322 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -4.423 4.645 -12.234 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -5.846 4.785 -10.095 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -4.601 5.837 -9.451 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -6.571 7.002 -10.579 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -4.978 7.505 -11.107 1.00 0.00 H new ATOM 0 HE ARG A 108 -5.389 6.614 -13.230 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -7.812 5.510 -10.913 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -8.851 4.809 -12.158 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -6.728 5.709 -14.823 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -8.240 4.920 -14.361 1.00 0.00 H new ATOM 1608 N GLN A 109 -1.181 3.414 -10.430 1.00 0.00 N ATOM 1609 CA GLN A 109 0.196 3.128 -10.817 1.00 0.00 C ATOM 1610 C GLN A 109 0.775 1.995 -9.977 1.00 0.00 C ATOM 1611 O GLN A 109 1.247 2.199 -8.858 1.00 0.00 O ATOM 1612 CB GLN A 109 1.060 4.381 -10.671 1.00 0.00 C ATOM 1613 CG GLN A 109 1.116 5.233 -11.929 1.00 0.00 C ATOM 1614 CD GLN A 109 1.292 6.708 -11.629 1.00 0.00 C ATOM 1615 OE1 GLN A 109 2.172 7.366 -12.184 1.00 0.00 O ATOM 1616 NE2 GLN A 109 0.453 7.236 -10.746 1.00 0.00 N ATOM 0 H GLN A 109 -1.277 3.896 -9.536 1.00 0.00 H new ATOM 0 HA GLN A 109 0.195 2.816 -11.861 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.673 4.985 -9.850 1.00 0.00 H new ATOM 0 HB3 GLN A 109 2.073 4.084 -10.398 1.00 0.00 H new ATOM 0 HG2 GLN A 109 1.940 4.893 -12.557 1.00 0.00 H new ATOM 0 HG3 GLN A 109 0.199 5.090 -12.501 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -0.262 6.653 -10.310 1.00 0.00 H new ATOM 0 HE22 GLN A 109 0.523 8.224 -10.504 1.00 0.00 H new ATOM 1625 N PRO A 110 0.738 0.772 -10.525 1.00 0.00 N ATOM 1626 CA PRO A 110 1.256 -0.418 -9.842 1.00 0.00 C ATOM 1627 C PRO A 110 2.776 -0.407 -9.729 1.00 0.00 C ATOM 1628 O PRO A 110 3.476 -0.924 -10.600 1.00 0.00 O ATOM 1629 CB PRO A 110 0.794 -1.570 -10.737 1.00 0.00 C ATOM 1630 CG PRO A 110 0.638 -0.962 -12.088 1.00 0.00 C ATOM 1631 CD PRO A 110 0.190 0.455 -11.854 1.00 0.00 C ATOM 0 HA PRO A 110 0.896 -0.487 -8.815 1.00 0.00 H new ATOM 0 HB2 PRO A 110 1.524 -2.379 -10.749 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.146 -1.994 -10.383 1.00 0.00 H new ATOM 0 HG2 PRO A 110 1.578 -0.988 -12.639 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -0.094 -1.510 -12.681 1.00 0.00 H new ATOM 0 HD2 PRO A 110 0.575 1.130 -12.619 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -0.896 0.541 -11.871 1.00 0.00 H new ATOM 1639 N TYR A 111 3.281 0.185 -8.653 1.00 0.00 N ATOM 1640 CA TYR A 111 4.719 0.265 -8.428 1.00 0.00 C ATOM 1641 C TYR A 111 5.385 -1.085 -8.676 1.00 0.00 C ATOM 1642 O TYR A 111 5.290 -1.997 -7.855 1.00 0.00 O ATOM 1643 CB TYR A 111 5.008 0.734 -7.001 1.00 0.00 C ATOM 1644 CG TYR A 111 6.400 1.297 -6.819 1.00 0.00 C ATOM 1645 CD1 TYR A 111 6.896 2.267 -7.682 1.00 0.00 C ATOM 1646 CD2 TYR A 111 7.218 0.860 -5.785 1.00 0.00 C ATOM 1647 CE1 TYR A 111 8.166 2.784 -7.520 1.00 0.00 C ATOM 1648 CE2 TYR A 111 8.490 1.372 -5.615 1.00 0.00 C ATOM 1649 CZ TYR A 111 8.960 2.334 -6.484 1.00 0.00 C ATOM 1650 OH TYR A 111 10.226 2.847 -6.319 1.00 0.00 O ATOM 0 H TYR A 111 2.715 0.617 -7.922 1.00 0.00 H new ATOM 0 HA TYR A 111 5.131 0.988 -9.132 1.00 0.00 H new ATOM 0 HB2 TYR A 111 4.278 1.494 -6.723 1.00 0.00 H new ATOM 0 HB3 TYR A 111 4.872 -0.104 -6.317 1.00 0.00 H new ATOM 0 HD1 TYR A 111 6.278 2.622 -8.493 1.00 0.00 H new ATOM 0 HD2 TYR A 111 6.853 0.107 -5.102 1.00 0.00 H new ATOM 0 HE1 TYR A 111 8.536 3.537 -8.200 1.00 0.00 H new ATOM 0 HE2 TYR A 111 9.113 1.021 -4.806 1.00 0.00 H new ATOM 0 HH TYR A 111 10.249 3.771 -6.644 1.00 0.00 H new ATOM 1660 N TYR A 112 6.060 -1.203 -9.814 1.00 0.00 N ATOM 1661 CA TYR A 112 6.742 -2.441 -10.173 1.00 0.00 C ATOM 1662 C TYR A 112 8.057 -2.580 -9.413 1.00 0.00 C ATOM 1663 O TYR A 112 8.614 -1.594 -8.929 1.00 0.00 O ATOM 1664 CB TYR A 112 7.004 -2.484 -11.680 1.00 0.00 C ATOM 1665 CG TYR A 112 5.894 -1.875 -12.505 1.00 0.00 C ATOM 1666 CD1 TYR A 112 5.849 -0.507 -12.743 1.00 0.00 C ATOM 1667 CD2 TYR A 112 4.891 -2.667 -13.051 1.00 0.00 C ATOM 1668 CE1 TYR A 112 4.836 0.055 -13.496 1.00 0.00 C ATOM 1669 CE2 TYR A 112 3.875 -2.114 -13.806 1.00 0.00 C ATOM 1670 CZ TYR A 112 3.852 -0.753 -14.026 1.00 0.00 C ATOM 1671 OH TYR A 112 2.842 -0.197 -14.778 1.00 0.00 O ATOM 0 H TYR A 112 6.150 -0.457 -10.504 1.00 0.00 H new ATOM 0 HA TYR A 112 6.096 -3.275 -9.898 1.00 0.00 H new ATOM 0 HB2 TYR A 112 7.935 -1.958 -11.894 1.00 0.00 H new ATOM 0 HB3 TYR A 112 7.146 -3.520 -11.986 1.00 0.00 H new ATOM 0 HD1 TYR A 112 6.620 0.128 -12.332 1.00 0.00 H new ATOM 0 HD2 TYR A 112 4.906 -3.734 -12.882 1.00 0.00 H new ATOM 0 HE1 TYR A 112 4.815 1.121 -13.669 1.00 0.00 H new ATOM 0 HE2 TYR A 112 3.103 -2.744 -14.222 1.00 0.00 H new ATOM 0 HH TYR A 112 2.231 -0.902 -15.078 1.00 0.00 H new ATOM 1871 N ALA B 9 -2.673 2.983 8.363 1.00 0.00 N ATOM 1872 CA ALA B 9 -3.969 3.647 8.323 1.00 0.00 C ATOM 1873 C ALA B 9 -5.107 2.638 8.453 1.00 0.00 C ATOM 1874 O ALA B 9 -4.891 1.432 8.353 1.00 0.00 O ATOM 1875 CB ALA B 9 -4.113 4.445 7.036 1.00 0.00 C ATOM 0 HA ALA B 9 -4.026 4.331 9.170 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -5.086 4.936 7.019 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -3.326 5.197 6.984 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -4.030 3.774 6.181 1.00 0.00 H new ATOM 1881 N GLU B 10 -6.316 3.143 8.676 1.00 0.00 N ATOM 1882 CA GLU B 10 -7.486 2.286 8.820 1.00 0.00 C ATOM 1883 C GLU B 10 -8.479 2.523 7.685 1.00 0.00 C ATOM 1884 O GLU B 10 -8.363 3.495 6.938 1.00 0.00 O ATOM 1885 CB GLU B 10 -8.166 2.536 10.168 1.00 0.00 C ATOM 1886 CG GLU B 10 -7.202 2.551 11.343 1.00 0.00 C ATOM 1887 CD GLU B 10 -7.789 3.220 12.570 1.00 0.00 C ATOM 1888 OE1 GLU B 10 -8.888 2.811 13.000 1.00 0.00 O ATOM 1889 OE2 GLU B 10 -7.149 4.153 13.101 1.00 0.00 O ATOM 0 H GLU B 10 -6.510 4.141 8.761 1.00 0.00 H new ATOM 0 HA GLU B 10 -7.152 1.249 8.776 1.00 0.00 H new ATOM 0 HB2 GLU B 10 -8.692 3.490 10.129 1.00 0.00 H new ATOM 0 HB3 GLU B 10 -8.917 1.764 10.335 1.00 0.00 H new ATOM 0 HG2 GLU B 10 -6.921 1.527 11.591 1.00 0.00 H new ATOM 0 HG3 GLU B 10 -6.289 3.070 11.052 1.00 0.00 H new ATOM 1896 N LEU B 11 -9.453 1.629 7.564 1.00 0.00 N ATOM 1897 CA LEU B 11 -10.467 1.740 6.521 1.00 0.00 C ATOM 1898 C LEU B 11 -11.858 1.463 7.081 1.00 0.00 C ATOM 1899 O LEU B 11 -12.003 1.043 8.228 1.00 0.00 O ATOM 1900 CB LEU B 11 -10.161 0.768 5.379 1.00 0.00 C ATOM 1901 CG LEU B 11 -8.696 0.674 4.952 1.00 0.00 C ATOM 1902 CD1 LEU B 11 -8.469 -0.561 4.093 1.00 0.00 C ATOM 1903 CD2 LEU B 11 -8.278 1.931 4.203 1.00 0.00 C ATOM 0 H LEU B 11 -9.563 0.819 8.175 1.00 0.00 H new ATOM 0 HA LEU B 11 -10.447 2.760 6.137 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -10.497 -0.226 5.675 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -10.753 1.060 4.512 1.00 0.00 H new ATOM 0 HG LEU B 11 -8.081 0.587 5.847 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -7.421 -0.612 3.798 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -8.729 -1.453 4.663 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -9.094 -0.504 3.202 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -7.232 1.847 3.906 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -8.899 2.049 3.315 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -8.403 2.799 4.851 1.00 0.00 H new ATOM 1915 N ASN B 12 -12.877 1.700 6.262 1.00 0.00 N ATOM 1916 CA ASN B 12 -14.259 1.474 6.676 1.00 0.00 C ATOM 1917 C ASN B 12 -14.839 0.245 5.983 1.00 0.00 C ATOM 1918 O ASN B 12 -15.329 0.327 4.856 1.00 0.00 O ATOM 1919 CB ASN B 12 -15.114 2.702 6.362 1.00 0.00 C ATOM 1920 CG ASN B 12 -15.019 3.765 7.440 1.00 0.00 C ATOM 1921 OD1 ASN B 12 -14.773 4.936 7.152 1.00 0.00 O ATOM 1922 ND2 ASN B 12 -15.211 3.359 8.689 1.00 0.00 N ATOM 0 H ASN B 12 -12.773 2.048 5.309 1.00 0.00 H new ATOM 0 HA ASN B 12 -14.267 1.300 7.752 1.00 0.00 H new ATOM 0 HB2 ASN B 12 -14.799 3.126 5.409 1.00 0.00 H new ATOM 0 HB3 ASN B 12 -16.154 2.397 6.247 1.00 0.00 H new ATOM 0 HD21 ASN B 12 -15.157 4.028 9.457 1.00 0.00 H new ATOM 0 HD22 ASN B 12 -15.413 2.378 8.881 1.00 0.00 H new