USER MOD reduce.3.24.130724 H: found=0, std=0, add=376, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 376 hydrogens (7 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 NoAdj-H: A 3 ABA HN2 : A 3 ABA N : A 2 ILE C :(H bumps) USER MOD NoAdj-H: A 3 ABA H : A 3 ABA N : A 2 ILE C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.048 X(o=-0.048,f=0) USER MOD Single : A 8 THR OG1 : rot -78:sc= 0.366 USER MOD Single : A 9 SER OG : rot -91:sc= 0.824! USER MOD Single : A 12 SER OG : rot 180:sc= -1.15 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -2.13! C(o=-2.1!,f=-7.7!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -1.21 K(o=-1.2,f=-2.9!) USER MOD Single : B 4 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : B 5 HIS : no HD1:sc= -1.91! C(o=-1.9!,f=-3.2!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 LYS NZ :NH3+ 149:sc= -0.0189 (180deg=-0.569) USER MOD Single : B 30 THR OG1 : rot 69:sc= 0.547 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.088 -5.001 8.966 1.00 0.00 N ATOM 2 CA GLY A 1 0.322 -4.412 8.914 1.00 0.00 C ATOM 3 C GLY A 1 0.956 -4.143 7.591 1.00 0.00 C ATOM 4 O GLY A 1 1.998 -4.681 7.273 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.376 -5.125 9.958 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.751 -4.356 8.490 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.097 -5.923 8.485 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.304 -3.472 9.465 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.979 -5.089 9.460 1.00 0.00 H new ATOM 10 N ILE A 2 0.352 -3.309 6.786 1.00 0.00 N ATOM 11 CA ILE A 2 0.940 -3.002 5.450 1.00 0.00 C ATOM 12 C ILE A 2 1.750 -1.706 5.537 1.00 0.00 C ATOM 13 O ILE A 2 2.138 -1.132 4.541 1.00 0.00 O ATOM 14 CB ILE A 2 -0.183 -2.843 4.424 1.00 0.00 C ATOM 15 CG1 ILE A 2 0.433 -2.503 3.048 1.00 0.00 C ATOM 16 CG2 ILE A 2 -1.150 -1.747 4.890 1.00 0.00 C ATOM 17 CD1 ILE A 2 0.153 -1.047 2.647 1.00 0.00 C ATOM 0 H ILE A 2 -0.522 -2.828 6.996 1.00 0.00 H new ATOM 0 HA ILE A 2 1.596 -3.817 5.142 1.00 0.00 H new ATOM 0 HB ILE A 2 -0.745 -3.772 4.330 1.00 0.00 H new ATOM 0 HG12 ILE A 2 1.509 -2.672 3.079 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.027 -3.174 2.291 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -1.951 -1.633 4.159 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -1.576 -2.024 5.855 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -0.612 -0.804 4.988 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.601 -0.845 1.674 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.924 -0.886 2.591 1.00 0.00 H new ATOM 0 HD13 ILE A 2 0.582 -0.376 3.391 1.00 0.00 H new HETATM 29 N ABA A 3 2.003 -1.241 6.727 1.00 0.00 N HETATM 30 CA ABA A 3 2.779 0.007 6.900 1.00 0.00 C HETATM 31 C ABA A 3 4.187 -0.335 7.376 1.00 0.00 C HETATM 32 O ABA A 3 5.138 -0.251 6.634 1.00 0.00 O HETATM 33 CB ABA A 3 2.090 0.907 7.932 1.00 0.00 C HETATM 34 CG ABA A 3 0.665 0.416 8.204 1.00 0.00 C HETATM 0 HG3 ABA A 3 0.699 -0.603 8.589 1.00 0.00 H new HETATM 0 HG2 ABA A 3 0.091 0.435 7.278 1.00 0.00 H new HETATM 0 HG1 ABA A 3 0.190 1.066 8.939 1.00 0.00 H new HETATM 0 HB3 ABA A 3 2.064 1.934 7.568 1.00 0.00 H new HETATM 0 HB2 ABA A 3 2.663 0.912 8.859 1.00 0.00 H new HETATM 0 HA ABA A 3 2.835 0.534 5.948 1.00 0.00 H new ATOM 42 N GLU A 4 4.327 -0.723 8.607 1.00 0.00 N ATOM 43 CA GLU A 4 5.680 -1.069 9.130 1.00 0.00 C ATOM 44 C GLU A 4 6.251 -2.250 8.341 1.00 0.00 C ATOM 45 O GLU A 4 7.442 -2.343 8.122 1.00 0.00 O ATOM 46 CB GLU A 4 5.579 -1.451 10.608 1.00 0.00 C ATOM 47 CG GLU A 4 5.097 -0.246 11.418 1.00 0.00 C ATOM 48 CD GLU A 4 3.778 -0.593 12.111 1.00 0.00 C ATOM 49 OE1 GLU A 4 3.517 -1.771 12.288 1.00 0.00 O ATOM 50 OE2 GLU A 4 3.052 0.326 12.452 1.00 0.00 O ATOM 0 H GLU A 4 3.565 -0.817 9.278 1.00 0.00 H new ATOM 0 HA GLU A 4 6.337 -0.206 9.021 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.888 -2.285 10.732 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.550 -1.784 10.975 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.847 0.032 12.158 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.961 0.615 10.764 1.00 0.00 H new ATOM 57 N GLN A 5 5.411 -3.153 7.912 1.00 0.00 N ATOM 58 CA GLN A 5 5.911 -4.325 7.138 1.00 0.00 C ATOM 59 C GLN A 5 6.209 -3.896 5.700 1.00 0.00 C ATOM 60 O GLN A 5 7.097 -4.415 5.059 1.00 0.00 O ATOM 61 CB GLN A 5 4.846 -5.426 7.132 1.00 0.00 C ATOM 62 CG GLN A 5 5.417 -6.692 6.488 1.00 0.00 C ATOM 63 CD GLN A 5 5.004 -7.915 7.310 1.00 0.00 C ATOM 64 OE1 GLN A 5 4.268 -8.760 6.837 1.00 0.00 O ATOM 65 NE2 GLN A 5 5.451 -8.048 8.529 1.00 0.00 N ATOM 0 H GLN A 5 4.403 -3.130 8.064 1.00 0.00 H new ATOM 0 HA GLN A 5 6.822 -4.704 7.601 1.00 0.00 H new ATOM 0 HB2 GLN A 5 4.523 -5.639 8.151 1.00 0.00 H new ATOM 0 HB3 GLN A 5 3.966 -5.092 6.582 1.00 0.00 H new ATOM 0 HG2 GLN A 5 5.053 -6.788 5.465 1.00 0.00 H new ATOM 0 HG3 GLN A 5 6.504 -6.627 6.434 1.00 0.00 H new ATOM 0 HE21 GLN A 5 6.068 -7.340 8.926 1.00 0.00 H new ATOM 0 HE22 GLN A 5 5.183 -8.860 9.085 1.00 0.00 H new ATOM 74 N CYS A 6 5.469 -2.952 5.191 1.00 0.00 N ATOM 75 CA CYS A 6 5.699 -2.483 3.797 1.00 0.00 C ATOM 76 C CYS A 6 6.383 -1.113 3.808 1.00 0.00 C ATOM 77 O CYS A 6 6.548 -0.487 2.780 1.00 0.00 O ATOM 78 CB CYS A 6 4.355 -2.396 3.074 1.00 0.00 C ATOM 79 SG CYS A 6 4.177 -3.819 1.972 1.00 0.00 S ATOM 0 H CYS A 6 4.710 -2.482 5.684 1.00 0.00 H new ATOM 0 HA CYS A 6 6.348 -3.187 3.276 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.540 -2.378 3.798 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.295 -1.469 2.503 1.00 0.00 H new ATOM 84 N CYS A 7 6.793 -0.647 4.956 1.00 0.00 N ATOM 85 CA CYS A 7 7.477 0.675 5.017 1.00 0.00 C ATOM 86 C CYS A 7 8.965 0.451 5.276 1.00 0.00 C ATOM 87 O CYS A 7 9.796 1.275 4.949 1.00 0.00 O ATOM 88 CB CYS A 7 6.872 1.529 6.130 1.00 0.00 C ATOM 89 SG CYS A 7 7.820 3.063 6.309 1.00 0.00 S ATOM 0 H CYS A 7 6.684 -1.123 5.852 1.00 0.00 H new ATOM 0 HA CYS A 7 7.345 1.200 4.071 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.831 1.758 5.900 1.00 0.00 H new ATOM 0 HB3 CYS A 7 6.877 0.976 7.069 1.00 0.00 H new ATOM 94 N THR A 8 9.307 -0.674 5.844 1.00 0.00 N ATOM 95 CA THR A 8 10.742 -0.971 6.107 1.00 0.00 C ATOM 96 C THR A 8 11.231 -2.007 5.090 1.00 0.00 C ATOM 97 O THR A 8 12.407 -2.296 5.001 1.00 0.00 O ATOM 98 CB THR A 8 10.903 -1.531 7.523 1.00 0.00 C ATOM 99 OG1 THR A 8 9.768 -2.320 7.849 1.00 0.00 O ATOM 100 CG2 THR A 8 11.032 -0.378 8.521 1.00 0.00 C ATOM 0 H THR A 8 8.653 -1.400 6.137 1.00 0.00 H new ATOM 0 HA THR A 8 11.328 -0.056 6.016 1.00 0.00 H new ATOM 0 HB THR A 8 11.800 -2.148 7.570 1.00 0.00 H new ATOM 0 HG1 THR A 8 9.019 -1.734 8.087 1.00 0.00 H new ATOM 0 HG21 THR A 8 11.146 -0.779 9.528 1.00 0.00 H new ATOM 0 HG22 THR A 8 11.904 0.225 8.269 1.00 0.00 H new ATOM 0 HG23 THR A 8 10.137 0.243 8.477 1.00 0.00 H new ATOM 108 N SER A 9 10.333 -2.568 4.320 1.00 0.00 N ATOM 109 CA SER A 9 10.744 -3.583 3.309 1.00 0.00 C ATOM 110 C SER A 9 10.320 -3.113 1.914 1.00 0.00 C ATOM 111 O SER A 9 10.996 -2.321 1.288 1.00 0.00 O ATOM 112 CB SER A 9 10.085 -4.926 3.632 1.00 0.00 C ATOM 113 OG SER A 9 8.683 -4.823 3.430 1.00 0.00 O ATOM 0 H SER A 9 9.334 -2.366 4.349 1.00 0.00 H new ATOM 0 HA SER A 9 11.827 -3.705 3.332 1.00 0.00 H new ATOM 0 HB2 SER A 9 10.499 -5.709 2.997 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.295 -5.208 4.664 1.00 0.00 H new ATOM 0 HG SER A 9 8.251 -4.553 4.267 1.00 0.00 H new ATOM 119 N ILE A 10 9.216 -3.593 1.414 1.00 0.00 N ATOM 120 CA ILE A 10 8.776 -3.166 0.061 1.00 0.00 C ATOM 121 C ILE A 10 7.274 -3.438 -0.116 1.00 0.00 C ATOM 122 O ILE A 10 6.664 -4.176 0.632 1.00 0.00 O ATOM 123 CB ILE A 10 9.584 -3.945 -0.989 1.00 0.00 C ATOM 124 CG1 ILE A 10 10.865 -3.182 -1.318 1.00 0.00 C ATOM 125 CG2 ILE A 10 8.769 -4.132 -2.268 1.00 0.00 C ATOM 126 CD1 ILE A 10 12.039 -3.813 -0.569 1.00 0.00 C ATOM 0 H ILE A 10 8.603 -4.260 1.883 1.00 0.00 H new ATOM 0 HA ILE A 10 8.947 -2.097 -0.063 1.00 0.00 H new ATOM 0 HB ILE A 10 9.828 -4.925 -0.580 1.00 0.00 H new ATOM 0 HG12 ILE A 10 11.050 -3.206 -2.392 1.00 0.00 H new ATOM 0 HG13 ILE A 10 10.760 -2.134 -1.036 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.359 -4.686 -2.998 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.859 -4.687 -2.041 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.507 -3.157 -2.678 1.00 0.00 H new ATOM 0 HD11 ILE A 10 12.954 -3.269 -0.803 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.853 -3.766 0.504 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.148 -4.854 -0.873 1.00 0.00 H new ATOM 138 N CYS A 11 6.693 -2.844 -1.123 1.00 0.00 N ATOM 139 CA CYS A 11 5.243 -3.047 -1.409 1.00 0.00 C ATOM 140 C CYS A 11 5.005 -2.751 -2.893 1.00 0.00 C ATOM 141 O CYS A 11 5.115 -1.626 -3.339 1.00 0.00 O ATOM 142 CB CYS A 11 4.408 -2.113 -0.535 1.00 0.00 C ATOM 143 SG CYS A 11 3.181 -3.089 0.373 1.00 0.00 S ATOM 0 H CYS A 11 7.170 -2.216 -1.770 1.00 0.00 H new ATOM 0 HA CYS A 11 4.949 -4.072 -1.186 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.051 -1.575 0.162 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.911 -1.365 -1.152 1.00 0.00 H new ATOM 148 N SER A 12 4.712 -3.763 -3.667 1.00 0.00 N ATOM 149 CA SER A 12 4.503 -3.559 -5.132 1.00 0.00 C ATOM 150 C SER A 12 3.116 -2.997 -5.408 1.00 0.00 C ATOM 151 O SER A 12 2.193 -3.145 -4.633 1.00 0.00 O ATOM 152 CB SER A 12 4.660 -4.897 -5.856 1.00 0.00 C ATOM 153 OG SER A 12 4.474 -5.957 -4.930 1.00 0.00 O ATOM 0 H SER A 12 4.608 -4.726 -3.347 1.00 0.00 H new ATOM 0 HA SER A 12 5.245 -2.847 -5.493 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.933 -4.973 -6.664 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.649 -4.964 -6.309 1.00 0.00 H new ATOM 0 HG SER A 12 4.572 -6.816 -5.392 1.00 0.00 H new ATOM 159 N LEU A 13 2.982 -2.346 -6.525 1.00 0.00 N ATOM 160 CA LEU A 13 1.680 -1.745 -6.911 1.00 0.00 C ATOM 161 C LEU A 13 0.608 -2.831 -7.031 1.00 0.00 C ATOM 162 O LEU A 13 -0.571 -2.545 -7.105 1.00 0.00 O ATOM 163 CB LEU A 13 1.852 -1.038 -8.251 1.00 0.00 C ATOM 164 CG LEU A 13 2.150 -2.075 -9.332 1.00 0.00 C ATOM 165 CD1 LEU A 13 1.668 -1.552 -10.677 1.00 0.00 C ATOM 166 CD2 LEU A 13 3.656 -2.335 -9.408 1.00 0.00 C ATOM 0 H LEU A 13 3.734 -2.202 -7.199 1.00 0.00 H new ATOM 0 HA LEU A 13 1.364 -1.033 -6.148 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.948 -0.483 -8.502 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.664 -0.313 -8.192 1.00 0.00 H new ATOM 0 HG LEU A 13 1.636 -3.004 -9.086 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.879 -2.290 -11.451 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.594 -1.369 -10.633 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.185 -0.622 -10.912 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.859 -3.076 -10.181 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.174 -1.407 -9.650 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.010 -2.708 -8.447 1.00 0.00 H new ATOM 178 N TYR A 14 0.996 -4.076 -7.021 1.00 0.00 N ATOM 179 CA TYR A 14 -0.015 -5.161 -7.106 1.00 0.00 C ATOM 180 C TYR A 14 -0.215 -5.653 -5.694 1.00 0.00 C ATOM 181 O TYR A 14 -1.301 -5.993 -5.269 1.00 0.00 O ATOM 182 CB TYR A 14 0.505 -6.279 -8.028 1.00 0.00 C ATOM 183 CG TYR A 14 -0.017 -7.630 -7.588 1.00 0.00 C ATOM 184 CD1 TYR A 14 -1.321 -8.019 -7.918 1.00 0.00 C ATOM 185 CD2 TYR A 14 0.808 -8.496 -6.856 1.00 0.00 C ATOM 186 CE1 TYR A 14 -1.801 -9.273 -7.517 1.00 0.00 C ATOM 187 CE2 TYR A 14 0.328 -9.749 -6.454 1.00 0.00 C ATOM 188 CZ TYR A 14 -0.977 -10.138 -6.785 1.00 0.00 C ATOM 189 OH TYR A 14 -1.448 -11.375 -6.394 1.00 0.00 O ATOM 0 H TYR A 14 1.966 -4.386 -6.958 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.960 -4.818 -7.527 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.196 -6.082 -9.055 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.595 -6.285 -8.019 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.957 -7.352 -8.482 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.814 -8.197 -6.602 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.807 -9.573 -7.772 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.963 -10.415 -5.889 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.749 -11.849 -5.896 1.00 0.00 H new ATOM 199 N GLN A 15 0.838 -5.625 -4.955 1.00 0.00 N ATOM 200 CA GLN A 15 0.774 -6.012 -3.542 1.00 0.00 C ATOM 201 C GLN A 15 -0.098 -4.980 -2.845 1.00 0.00 C ATOM 202 O GLN A 15 -0.824 -5.263 -1.913 1.00 0.00 O ATOM 203 CB GLN A 15 2.187 -5.932 -2.988 1.00 0.00 C ATOM 204 CG GLN A 15 2.795 -7.327 -2.895 1.00 0.00 C ATOM 205 CD GLN A 15 2.072 -8.135 -1.816 1.00 0.00 C ATOM 206 OE1 GLN A 15 0.873 -8.018 -1.653 1.00 0.00 O ATOM 207 NE2 GLN A 15 2.756 -8.956 -1.069 1.00 0.00 N ATOM 0 H GLN A 15 1.763 -5.343 -5.280 1.00 0.00 H new ATOM 0 HA GLN A 15 0.371 -7.015 -3.400 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.802 -5.301 -3.630 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.173 -5.467 -2.002 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.715 -7.834 -3.857 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.857 -7.256 -2.659 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.762 -9.053 -1.207 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.285 -9.501 -0.347 1.00 0.00 H new ATOM 216 N LEU A 16 -0.024 -3.775 -3.330 1.00 0.00 N ATOM 217 CA LEU A 16 -0.817 -2.667 -2.760 1.00 0.00 C ATOM 218 C LEU A 16 -2.204 -2.722 -3.349 1.00 0.00 C ATOM 219 O LEU A 16 -3.166 -2.264 -2.767 1.00 0.00 O ATOM 220 CB LEU A 16 -0.111 -1.365 -3.118 1.00 0.00 C ATOM 221 CG LEU A 16 1.232 -1.367 -2.399 1.00 0.00 C ATOM 222 CD1 LEU A 16 1.954 -0.041 -2.614 1.00 0.00 C ATOM 223 CD2 LEU A 16 0.989 -1.590 -0.908 1.00 0.00 C ATOM 0 H LEU A 16 0.569 -3.511 -4.117 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.903 -2.740 -1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.030 -1.288 -4.196 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.709 -0.507 -2.813 1.00 0.00 H new ATOM 0 HG LEU A 16 1.857 -2.165 -2.799 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.912 -0.060 -2.094 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.123 0.113 -3.680 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.344 0.773 -2.222 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.943 -1.594 -0.380 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.362 -0.789 -0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.489 -2.547 -0.760 1.00 0.00 H new ATOM 235 N GLU A 17 -2.313 -3.319 -4.490 1.00 0.00 N ATOM 236 CA GLU A 17 -3.631 -3.451 -5.119 1.00 0.00 C ATOM 237 C GLU A 17 -4.421 -4.513 -4.352 1.00 0.00 C ATOM 238 O GLU A 17 -5.638 -4.527 -4.352 1.00 0.00 O ATOM 239 CB GLU A 17 -3.432 -3.885 -6.569 1.00 0.00 C ATOM 240 CG GLU A 17 -4.787 -3.969 -7.274 1.00 0.00 C ATOM 241 CD GLU A 17 -4.815 -5.205 -8.174 1.00 0.00 C ATOM 242 OE1 GLU A 17 -3.764 -5.577 -8.668 1.00 0.00 O ATOM 243 OE2 GLU A 17 -5.887 -5.760 -8.353 1.00 0.00 O ATOM 0 H GLU A 17 -1.537 -3.723 -5.014 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.176 -2.507 -5.098 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.786 -3.175 -7.086 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.933 -4.853 -6.603 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.589 -4.023 -6.538 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.958 -3.070 -7.866 1.00 0.00 H new ATOM 250 N ASN A 18 -3.730 -5.405 -3.684 1.00 0.00 N ATOM 251 CA ASN A 18 -4.443 -6.472 -2.922 1.00 0.00 C ATOM 252 C ASN A 18 -4.918 -5.928 -1.577 1.00 0.00 C ATOM 253 O ASN A 18 -5.556 -6.621 -0.809 1.00 0.00 O ATOM 254 CB ASN A 18 -3.502 -7.654 -2.691 1.00 0.00 C ATOM 255 CG ASN A 18 -4.074 -8.902 -3.368 1.00 0.00 C ATOM 256 OD1 ASN A 18 -4.005 -9.039 -4.573 1.00 0.00 O ATOM 257 ND2 ASN A 18 -4.643 -9.821 -2.638 1.00 0.00 N ATOM 0 H ASN A 18 -2.712 -5.439 -3.635 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.308 -6.801 -3.498 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -2.514 -7.430 -3.093 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.379 -7.831 -1.623 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.030 -10.655 -3.079 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -4.701 -9.705 -1.626 1.00 0.00 H new ATOM 264 N TYR A 19 -4.621 -4.696 -1.281 1.00 0.00 N ATOM 265 CA TYR A 19 -5.069 -4.128 0.018 1.00 0.00 C ATOM 266 C TYR A 19 -6.249 -3.183 -0.217 1.00 0.00 C ATOM 267 O TYR A 19 -6.613 -2.410 0.646 1.00 0.00 O ATOM 268 CB TYR A 19 -3.917 -3.362 0.671 1.00 0.00 C ATOM 269 CG TYR A 19 -2.910 -4.340 1.227 1.00 0.00 C ATOM 270 CD1 TYR A 19 -3.181 -5.028 2.417 1.00 0.00 C ATOM 271 CD2 TYR A 19 -1.702 -4.558 0.551 1.00 0.00 C ATOM 272 CE1 TYR A 19 -2.243 -5.934 2.931 1.00 0.00 C ATOM 273 CE2 TYR A 19 -0.764 -5.463 1.065 1.00 0.00 C ATOM 274 CZ TYR A 19 -1.035 -6.152 2.255 1.00 0.00 C ATOM 275 OH TYR A 19 -0.112 -7.044 2.760 1.00 0.00 O ATOM 0 H TYR A 19 -4.091 -4.061 -1.878 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.380 -4.938 0.678 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -3.440 -2.709 -0.060 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -4.297 -2.723 1.468 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.112 -4.860 2.938 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.494 -4.028 -0.367 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.451 -6.464 3.848 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.167 -5.630 0.544 1.00 0.00 H new ATOM 0 HH TYR A 19 0.669 -7.077 2.169 1.00 0.00 H new ATOM 285 N CYS A 20 -6.860 -3.237 -1.374 1.00 0.00 N ATOM 286 CA CYS A 20 -8.020 -2.331 -1.625 1.00 0.00 C ATOM 287 C CYS A 20 -9.305 -3.009 -1.148 1.00 0.00 C ATOM 288 O CYS A 20 -9.346 -4.206 -0.936 1.00 0.00 O ATOM 289 CB CYS A 20 -8.138 -2.015 -3.119 1.00 0.00 C ATOM 290 SG CYS A 20 -6.494 -1.969 -3.871 1.00 0.00 S ATOM 0 H CYS A 20 -6.611 -3.858 -2.143 1.00 0.00 H new ATOM 0 HA CYS A 20 -7.865 -1.401 -1.079 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.752 -2.769 -3.612 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.638 -1.057 -3.258 1.00 0.00 H new ATOM 295 N ASN A 21 -10.356 -2.255 -0.974 1.00 0.00 N ATOM 296 CA ASN A 21 -11.637 -2.855 -0.509 1.00 0.00 C ATOM 297 C ASN A 21 -12.157 -3.831 -1.567 1.00 0.00 C ATOM 298 O ASN A 21 -12.506 -3.375 -2.643 1.00 0.00 O ATOM 299 CB ASN A 21 -12.669 -1.747 -0.287 1.00 0.00 C ATOM 300 CG ASN A 21 -14.035 -2.370 0.003 1.00 0.00 C ATOM 301 OD1 ASN A 21 -14.961 -2.219 -0.769 1.00 0.00 O ATOM 302 ND2 ASN A 21 -14.202 -3.068 1.093 1.00 0.00 N ATOM 303 OXT ASN A 21 -12.197 -5.017 -1.282 1.00 0.00 O ATOM 0 H ASN A 21 -10.382 -1.248 -1.134 1.00 0.00 H new ATOM 0 HA ASN A 21 -11.469 -3.388 0.427 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -12.363 -1.113 0.545 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -12.729 -1.109 -1.169 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -15.110 -3.487 1.297 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -13.425 -3.195 1.741 1.00 0.00 H new TER 310 ASN A 21 ATOM 311 N PHE B 1 6.701 -2.511 -10.883 1.00 0.00 N ATOM 312 CA PHE B 1 7.293 -1.217 -11.325 1.00 0.00 C ATOM 313 C PHE B 1 8.622 -0.998 -10.603 1.00 0.00 C ATOM 314 O PHE B 1 9.645 -0.774 -11.219 1.00 0.00 O ATOM 315 CB PHE B 1 6.332 -0.075 -10.988 1.00 0.00 C ATOM 316 CG PHE B 1 6.390 0.970 -12.076 1.00 0.00 C ATOM 317 CD1 PHE B 1 7.624 1.503 -12.471 1.00 0.00 C ATOM 318 CD2 PHE B 1 5.209 1.406 -12.693 1.00 0.00 C ATOM 319 CE1 PHE B 1 7.678 2.471 -13.483 1.00 0.00 C ATOM 320 CE2 PHE B 1 5.263 2.374 -13.704 1.00 0.00 C ATOM 321 CZ PHE B 1 6.497 2.906 -14.099 1.00 0.00 C ATOM 0 H1 PHE B 1 5.796 -2.664 -11.372 1.00 0.00 H new ATOM 0 H2 PHE B 1 7.354 -3.288 -11.112 1.00 0.00 H new ATOM 0 H3 PHE B 1 6.539 -2.486 -9.856 1.00 0.00 H new ATOM 0 HA PHE B 1 7.462 -1.240 -12.402 1.00 0.00 H new ATOM 0 HB2 PHE B 1 5.316 -0.457 -10.890 1.00 0.00 H new ATOM 0 HB3 PHE B 1 6.599 0.368 -10.029 1.00 0.00 H new ATOM 0 HD1 PHE B 1 8.534 1.168 -11.995 1.00 0.00 H new ATOM 0 HD2 PHE B 1 4.258 0.995 -12.389 1.00 0.00 H new ATOM 0 HE1 PHE B 1 8.629 2.881 -13.788 1.00 0.00 H new ATOM 0 HE2 PHE B 1 4.353 2.710 -14.179 1.00 0.00 H new ATOM 0 HZ PHE B 1 6.538 3.652 -14.879 1.00 0.00 H new ATOM 333 N VAL B 2 8.616 -1.064 -9.301 1.00 0.00 N ATOM 334 CA VAL B 2 9.880 -0.863 -8.541 1.00 0.00 C ATOM 335 C VAL B 2 9.890 -1.782 -7.318 1.00 0.00 C ATOM 336 O VAL B 2 8.949 -2.509 -7.069 1.00 0.00 O ATOM 337 CB VAL B 2 9.975 0.595 -8.085 1.00 0.00 C ATOM 338 CG1 VAL B 2 9.978 1.513 -9.308 1.00 0.00 C ATOM 339 CG2 VAL B 2 8.774 0.931 -7.197 1.00 0.00 C ATOM 0 H VAL B 2 7.791 -1.248 -8.731 1.00 0.00 H new ATOM 0 HA VAL B 2 10.731 -1.099 -9.180 1.00 0.00 H new ATOM 0 HB VAL B 2 10.896 0.740 -7.520 1.00 0.00 H new ATOM 0 HG11 VAL B 2 10.046 2.551 -8.983 1.00 0.00 H new ATOM 0 HG12 VAL B 2 10.833 1.274 -9.940 1.00 0.00 H new ATOM 0 HG13 VAL B 2 9.057 1.369 -9.873 1.00 0.00 H new ATOM 0 HG21 VAL B 2 8.841 1.969 -6.872 1.00 0.00 H new ATOM 0 HG22 VAL B 2 7.853 0.786 -7.761 1.00 0.00 H new ATOM 0 HG23 VAL B 2 8.772 0.277 -6.325 1.00 0.00 H new ATOM 349 N ASN B 3 10.947 -1.753 -6.555 1.00 0.00 N ATOM 350 CA ASN B 3 11.022 -2.620 -5.349 1.00 0.00 C ATOM 351 C ASN B 3 11.511 -1.787 -4.167 1.00 0.00 C ATOM 352 O ASN B 3 12.496 -2.110 -3.533 1.00 0.00 O ATOM 353 CB ASN B 3 12.008 -3.758 -5.604 1.00 0.00 C ATOM 354 CG ASN B 3 11.359 -4.807 -6.507 1.00 0.00 C ATOM 355 OD1 ASN B 3 10.235 -4.643 -6.939 1.00 0.00 O ATOM 356 ND2 ASN B 3 12.024 -5.888 -6.813 1.00 0.00 N ATOM 0 H ASN B 3 11.764 -1.164 -6.716 1.00 0.00 H new ATOM 0 HA ASN B 3 10.037 -3.033 -5.130 1.00 0.00 H new ATOM 0 HB2 ASN B 3 12.913 -3.370 -6.072 1.00 0.00 H new ATOM 0 HB3 ASN B 3 12.307 -4.212 -4.659 1.00 0.00 H new ATOM 0 HD21 ASN B 3 11.600 -6.594 -7.414 1.00 0.00 H new ATOM 0 HD22 ASN B 3 12.967 -6.026 -6.451 1.00 0.00 H new ATOM 363 N GLN B 4 10.840 -0.711 -3.872 1.00 0.00 N ATOM 364 CA GLN B 4 11.278 0.147 -2.741 1.00 0.00 C ATOM 365 C GLN B 4 10.285 0.041 -1.585 1.00 0.00 C ATOM 366 O GLN B 4 9.267 -0.618 -1.681 1.00 0.00 O ATOM 367 CB GLN B 4 11.362 1.597 -3.215 1.00 0.00 C ATOM 368 CG GLN B 4 12.567 2.274 -2.565 1.00 0.00 C ATOM 369 CD GLN B 4 12.829 3.616 -3.250 1.00 0.00 C ATOM 370 OE1 GLN B 4 12.017 4.085 -4.023 1.00 0.00 O ATOM 371 NE2 GLN B 4 13.937 4.257 -2.998 1.00 0.00 N ATOM 0 H GLN B 4 10.007 -0.389 -4.366 1.00 0.00 H new ATOM 0 HA GLN B 4 12.257 -0.185 -2.395 1.00 0.00 H new ATOM 0 HB2 GLN B 4 11.453 1.632 -4.301 1.00 0.00 H new ATOM 0 HB3 GLN B 4 10.447 2.130 -2.955 1.00 0.00 H new ATOM 0 HG2 GLN B 4 12.382 2.426 -1.502 1.00 0.00 H new ATOM 0 HG3 GLN B 4 13.445 1.634 -2.647 1.00 0.00 H new ATOM 0 HE21 GLN B 4 14.618 3.863 -2.349 1.00 0.00 H new ATOM 0 HE22 GLN B 4 14.122 5.152 -3.450 1.00 0.00 H new ATOM 380 N HIS B 5 10.581 0.680 -0.486 1.00 0.00 N ATOM 381 CA HIS B 5 9.667 0.616 0.687 1.00 0.00 C ATOM 382 C HIS B 5 8.522 1.614 0.504 1.00 0.00 C ATOM 383 O HIS B 5 8.384 2.240 -0.529 1.00 0.00 O ATOM 384 CB HIS B 5 10.434 0.958 1.971 1.00 0.00 C ATOM 385 CG HIS B 5 11.899 0.651 1.797 1.00 0.00 C ATOM 386 ND1 HIS B 5 12.756 1.551 1.202 1.00 0.00 N ATOM 387 CD2 HIS B 5 12.636 -0.447 2.147 1.00 0.00 C ATOM 388 CE1 HIS B 5 13.971 0.985 1.205 1.00 0.00 C ATOM 389 NE2 HIS B 5 13.947 -0.239 1.773 1.00 0.00 N ATOM 0 H HIS B 5 11.419 1.245 -0.351 1.00 0.00 H new ATOM 0 HA HIS B 5 9.265 -0.394 0.765 1.00 0.00 H new ATOM 0 HB2 HIS B 5 10.302 2.013 2.213 1.00 0.00 H new ATOM 0 HB3 HIS B 5 10.032 0.386 2.807 1.00 0.00 H new ATOM 0 HD2 HIS B 5 12.254 -1.331 2.636 1.00 0.00 H new ATOM 0 HE1 HIS B 5 14.859 1.451 0.803 1.00 0.00 H new ATOM 0 HE2 HIS B 5 14.733 -0.876 1.899 1.00 0.00 H new ATOM 397 N LEU B 6 7.696 1.757 1.502 1.00 0.00 N ATOM 398 CA LEU B 6 6.545 2.703 1.404 1.00 0.00 C ATOM 399 C LEU B 6 6.353 3.437 2.730 1.00 0.00 C ATOM 400 O LEU B 6 6.934 3.088 3.731 1.00 0.00 O ATOM 401 CB LEU B 6 5.266 1.903 1.104 1.00 0.00 C ATOM 402 CG LEU B 6 4.446 2.519 -0.046 1.00 0.00 C ATOM 403 CD1 LEU B 6 5.375 3.083 -1.116 1.00 0.00 C ATOM 404 CD2 LEU B 6 3.583 1.433 -0.681 1.00 0.00 C ATOM 0 H LEU B 6 7.768 1.257 2.388 1.00 0.00 H new ATOM 0 HA LEU B 6 6.745 3.425 0.612 1.00 0.00 H new ATOM 0 HB2 LEU B 6 5.533 0.878 0.848 1.00 0.00 H new ATOM 0 HB3 LEU B 6 4.650 1.857 2.002 1.00 0.00 H new ATOM 0 HG LEU B 6 3.825 3.320 0.355 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.782 3.515 -1.922 1.00 0.00 H new ATOM 0 HD12 LEU B 6 6.008 3.854 -0.678 1.00 0.00 H new ATOM 0 HD13 LEU B 6 6.000 2.283 -1.514 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.000 1.862 -1.496 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.223 0.641 -1.070 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.909 1.019 0.069 1.00 0.00 H new ATOM 416 N CYS B 7 5.515 4.440 2.740 1.00 0.00 N ATOM 417 CA CYS B 7 5.251 5.197 3.998 1.00 0.00 C ATOM 418 C CYS B 7 4.663 6.571 3.658 1.00 0.00 C ATOM 419 O CYS B 7 5.132 7.260 2.772 1.00 0.00 O ATOM 420 CB CYS B 7 6.551 5.380 4.793 1.00 0.00 C ATOM 421 SG CYS B 7 6.410 4.512 6.379 1.00 0.00 S ATOM 0 H CYS B 7 4.999 4.769 1.924 1.00 0.00 H new ATOM 0 HA CYS B 7 4.541 4.634 4.604 1.00 0.00 H new ATOM 0 HB2 CYS B 7 7.396 4.990 4.226 1.00 0.00 H new ATOM 0 HB3 CYS B 7 6.742 6.440 4.961 1.00 0.00 H new ATOM 426 N GLY B 8 3.641 6.974 4.363 1.00 0.00 N ATOM 427 CA GLY B 8 3.021 8.305 4.099 1.00 0.00 C ATOM 428 C GLY B 8 2.280 8.296 2.757 1.00 0.00 C ATOM 429 O GLY B 8 1.733 7.293 2.336 1.00 0.00 O ATOM 0 H GLY B 8 3.207 6.437 5.114 1.00 0.00 H new ATOM 0 HA2 GLY B 8 2.328 8.555 4.902 1.00 0.00 H new ATOM 0 HA3 GLY B 8 3.791 9.076 4.091 1.00 0.00 H new ATOM 433 N SER B 9 2.253 9.418 2.088 1.00 0.00 N ATOM 434 CA SER B 9 1.544 9.496 0.779 1.00 0.00 C ATOM 435 C SER B 9 2.041 8.389 -0.143 1.00 0.00 C ATOM 436 O SER B 9 1.352 7.966 -1.049 1.00 0.00 O ATOM 437 CB SER B 9 1.813 10.854 0.132 1.00 0.00 C ATOM 438 OG SER B 9 0.615 11.618 0.130 1.00 0.00 O ATOM 0 H SER B 9 2.693 10.286 2.393 1.00 0.00 H new ATOM 0 HA SER B 9 0.473 9.376 0.944 1.00 0.00 H new ATOM 0 HB2 SER B 9 2.594 11.382 0.679 1.00 0.00 H new ATOM 0 HB3 SER B 9 2.174 10.719 -0.888 1.00 0.00 H new ATOM 0 HG SER B 9 0.784 12.491 -0.283 1.00 0.00 H new ATOM 444 N ASP B 10 3.227 7.911 0.079 1.00 0.00 N ATOM 445 CA ASP B 10 3.755 6.826 -0.788 1.00 0.00 C ATOM 446 C ASP B 10 2.860 5.596 -0.639 1.00 0.00 C ATOM 447 O ASP B 10 2.608 4.876 -1.587 1.00 0.00 O ATOM 448 CB ASP B 10 5.186 6.494 -0.365 1.00 0.00 C ATOM 449 CG ASP B 10 5.975 7.793 -0.185 1.00 0.00 C ATOM 450 OD1 ASP B 10 5.515 8.813 -0.670 1.00 0.00 O ATOM 451 OD2 ASP B 10 7.025 7.744 0.434 1.00 0.00 O ATOM 0 H ASP B 10 3.854 8.222 0.821 1.00 0.00 H new ATOM 0 HA ASP B 10 3.760 7.144 -1.831 1.00 0.00 H new ATOM 0 HB2 ASP B 10 5.180 5.927 0.566 1.00 0.00 H new ATOM 0 HB3 ASP B 10 5.663 5.866 -1.117 1.00 0.00 H new ATOM 456 N LEU B 11 2.368 5.358 0.546 1.00 0.00 N ATOM 457 CA LEU B 11 1.482 4.180 0.767 1.00 0.00 C ATOM 458 C LEU B 11 0.081 4.476 0.229 1.00 0.00 C ATOM 459 O LEU B 11 -0.650 3.577 -0.133 1.00 0.00 O ATOM 460 CB LEU B 11 1.410 3.878 2.268 1.00 0.00 C ATOM 461 CG LEU B 11 1.035 2.409 2.505 1.00 0.00 C ATOM 462 CD1 LEU B 11 1.846 1.500 1.581 1.00 0.00 C ATOM 463 CD2 LEU B 11 1.346 2.042 3.954 1.00 0.00 C ATOM 0 H LEU B 11 2.542 5.930 1.373 1.00 0.00 H new ATOM 0 HA LEU B 11 1.887 3.316 0.240 1.00 0.00 H new ATOM 0 HB2 LEU B 11 2.371 4.094 2.735 1.00 0.00 H new ATOM 0 HB3 LEU B 11 0.674 4.528 2.740 1.00 0.00 H new ATOM 0 HG LEU B 11 -0.027 2.276 2.298 1.00 0.00 H new ATOM 0 HD11 LEU B 11 1.570 0.461 1.759 1.00 0.00 H new ATOM 0 HD12 LEU B 11 1.638 1.758 0.543 1.00 0.00 H new ATOM 0 HD13 LEU B 11 2.909 1.633 1.781 1.00 0.00 H new ATOM 0 HD21 LEU B 11 1.082 0.999 4.130 1.00 0.00 H new ATOM 0 HD22 LEU B 11 2.410 2.184 4.145 1.00 0.00 H new ATOM 0 HD23 LEU B 11 0.769 2.680 4.623 1.00 0.00 H new ATOM 475 N VAL B 12 -0.304 5.721 0.160 1.00 0.00 N ATOM 476 CA VAL B 12 -1.663 6.035 -0.371 1.00 0.00 C ATOM 477 C VAL B 12 -1.550 6.359 -1.861 1.00 0.00 C ATOM 478 O VAL B 12 -2.301 5.862 -2.674 1.00 0.00 O ATOM 479 CB VAL B 12 -2.274 7.219 0.400 1.00 0.00 C ATOM 480 CG1 VAL B 12 -1.690 7.254 1.809 1.00 0.00 C ATOM 481 CG2 VAL B 12 -1.965 8.548 -0.302 1.00 0.00 C ATOM 0 H VAL B 12 0.255 6.526 0.444 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.319 5.175 -0.239 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.355 7.087 0.438 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -2.119 8.091 2.360 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -1.925 6.322 2.323 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -0.608 7.374 1.752 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -2.407 9.369 0.262 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.885 8.687 -0.359 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -2.382 8.533 -1.309 1.00 0.00 H new ATOM 491 N GLU B 13 -0.609 7.183 -2.225 1.00 0.00 N ATOM 492 CA GLU B 13 -0.446 7.528 -3.660 1.00 0.00 C ATOM 493 C GLU B 13 -0.390 6.232 -4.472 1.00 0.00 C ATOM 494 O GLU B 13 -0.890 6.158 -5.578 1.00 0.00 O ATOM 495 CB GLU B 13 0.844 8.332 -3.847 1.00 0.00 C ATOM 496 CG GLU B 13 2.055 7.398 -3.797 1.00 0.00 C ATOM 497 CD GLU B 13 3.339 8.226 -3.852 1.00 0.00 C ATOM 498 OE1 GLU B 13 3.566 8.994 -2.931 1.00 0.00 O ATOM 499 OE2 GLU B 13 4.076 8.078 -4.813 1.00 0.00 O ATOM 0 H GLU B 13 0.052 7.631 -1.591 1.00 0.00 H new ATOM 0 HA GLU B 13 -1.286 8.133 -4.002 1.00 0.00 H new ATOM 0 HB2 GLU B 13 0.819 8.858 -4.801 1.00 0.00 H new ATOM 0 HB3 GLU B 13 0.926 9.090 -3.068 1.00 0.00 H new ATOM 0 HG2 GLU B 13 2.032 6.803 -2.884 1.00 0.00 H new ATOM 0 HG3 GLU B 13 2.024 6.699 -4.633 1.00 0.00 H new ATOM 506 N ALA B 14 0.188 5.199 -3.918 1.00 0.00 N ATOM 507 CA ALA B 14 0.243 3.905 -4.647 1.00 0.00 C ATOM 508 C ALA B 14 -1.102 3.212 -4.464 1.00 0.00 C ATOM 509 O ALA B 14 -1.709 2.743 -5.406 1.00 0.00 O ATOM 510 CB ALA B 14 1.360 3.028 -4.075 1.00 0.00 C ATOM 0 H ALA B 14 0.622 5.198 -2.995 1.00 0.00 H new ATOM 0 HA ALA B 14 0.447 4.074 -5.704 1.00 0.00 H new ATOM 0 HB1 ALA B 14 1.393 2.082 -4.615 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.316 3.540 -4.182 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.168 2.836 -3.019 1.00 0.00 H new ATOM 516 N LEU B 15 -1.582 3.165 -3.252 1.00 0.00 N ATOM 517 CA LEU B 15 -2.895 2.528 -2.996 1.00 0.00 C ATOM 518 C LEU B 15 -3.960 3.239 -3.833 1.00 0.00 C ATOM 519 O LEU B 15 -4.739 2.619 -4.532 1.00 0.00 O ATOM 520 CB LEU B 15 -3.216 2.660 -1.507 1.00 0.00 C ATOM 521 CG LEU B 15 -2.463 1.564 -0.725 1.00 0.00 C ATOM 522 CD1 LEU B 15 -2.867 1.620 0.745 1.00 0.00 C ATOM 523 CD2 LEU B 15 -2.764 0.159 -1.287 1.00 0.00 C ATOM 0 H LEU B 15 -1.116 3.543 -2.427 1.00 0.00 H new ATOM 0 HA LEU B 15 -2.874 1.473 -3.269 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -2.924 3.646 -1.146 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -4.290 2.566 -1.345 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.394 1.748 -0.829 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.335 0.846 1.298 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -2.614 2.598 1.155 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -3.941 1.457 0.834 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -2.217 -0.588 -0.712 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -3.833 -0.040 -1.216 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -2.455 0.111 -2.331 1.00 0.00 H new ATOM 535 N TYR B 16 -3.994 4.540 -3.777 1.00 0.00 N ATOM 536 CA TYR B 16 -4.997 5.290 -4.578 1.00 0.00 C ATOM 537 C TYR B 16 -4.859 4.910 -6.055 1.00 0.00 C ATOM 538 O TYR B 16 -5.812 4.956 -6.807 1.00 0.00 O ATOM 539 CB TYR B 16 -4.748 6.793 -4.430 1.00 0.00 C ATOM 540 CG TYR B 16 -6.011 7.475 -3.960 1.00 0.00 C ATOM 541 CD1 TYR B 16 -7.255 7.061 -4.455 1.00 0.00 C ATOM 542 CD2 TYR B 16 -5.938 8.525 -3.036 1.00 0.00 C ATOM 543 CE1 TYR B 16 -8.427 7.697 -4.023 1.00 0.00 C ATOM 544 CE2 TYR B 16 -7.110 9.161 -2.604 1.00 0.00 C ATOM 545 CZ TYR B 16 -8.354 8.748 -3.098 1.00 0.00 C ATOM 546 OH TYR B 16 -9.508 9.376 -2.675 1.00 0.00 O ATOM 0 H TYR B 16 -3.370 5.116 -3.211 1.00 0.00 H new ATOM 0 HA TYR B 16 -5.997 5.043 -4.223 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -3.942 6.969 -3.718 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -4.429 7.214 -5.383 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -7.311 6.252 -5.169 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -4.979 8.845 -2.656 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -9.386 7.377 -4.403 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -7.054 9.970 -1.890 1.00 0.00 H new ATOM 0 HH TYR B 16 -9.280 10.081 -2.034 1.00 0.00 H new ATOM 556 N LEU B 17 -3.676 4.559 -6.485 1.00 0.00 N ATOM 557 CA LEU B 17 -3.486 4.213 -7.924 1.00 0.00 C ATOM 558 C LEU B 17 -3.582 2.702 -8.155 1.00 0.00 C ATOM 559 O LEU B 17 -3.964 2.262 -9.220 1.00 0.00 O ATOM 560 CB LEU B 17 -2.110 4.709 -8.383 1.00 0.00 C ATOM 561 CG LEU B 17 -1.963 4.560 -9.905 1.00 0.00 C ATOM 562 CD1 LEU B 17 -3.276 4.935 -10.601 1.00 0.00 C ATOM 563 CD2 LEU B 17 -0.851 5.491 -10.391 1.00 0.00 C ATOM 0 H LEU B 17 -2.838 4.497 -5.906 1.00 0.00 H new ATOM 0 HA LEU B 17 -4.277 4.695 -8.499 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -1.981 5.754 -8.100 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -1.326 4.143 -7.879 1.00 0.00 H new ATOM 0 HG LEU B 17 -1.718 3.525 -10.143 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -3.160 4.826 -11.679 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -4.073 4.278 -10.253 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -3.530 5.969 -10.366 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -0.739 5.392 -11.471 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -1.106 6.522 -10.146 1.00 0.00 H new ATOM 0 HD23 LEU B 17 0.086 5.224 -9.903 1.00 0.00 H new ATOM 575 N VAL B 18 -3.235 1.900 -7.189 1.00 0.00 N ATOM 576 CA VAL B 18 -3.313 0.424 -7.412 1.00 0.00 C ATOM 577 C VAL B 18 -4.747 0.038 -7.732 1.00 0.00 C ATOM 578 O VAL B 18 -4.999 -0.826 -8.549 1.00 0.00 O ATOM 579 CB VAL B 18 -2.848 -0.351 -6.175 1.00 0.00 C ATOM 580 CG1 VAL B 18 -1.517 0.200 -5.707 1.00 0.00 C ATOM 581 CG2 VAL B 18 -3.865 -0.218 -5.045 1.00 0.00 C ATOM 0 H VAL B 18 -2.906 2.192 -6.269 1.00 0.00 H new ATOM 0 HA VAL B 18 -2.657 0.170 -8.244 1.00 0.00 H new ATOM 0 HB VAL B 18 -2.748 -1.403 -6.441 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -1.185 -0.350 -4.827 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -0.779 0.093 -6.502 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -1.628 1.255 -5.455 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -3.517 -0.775 -4.175 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -3.980 0.833 -4.781 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -4.826 -0.617 -5.371 1.00 0.00 H new ATOM 591 N CYS B 19 -5.694 0.658 -7.091 1.00 0.00 N ATOM 592 CA CYS B 19 -7.106 0.299 -7.366 1.00 0.00 C ATOM 593 C CYS B 19 -7.917 1.546 -7.740 1.00 0.00 C ATOM 594 O CYS B 19 -8.730 1.514 -8.642 1.00 0.00 O ATOM 595 CB CYS B 19 -7.699 -0.357 -6.125 1.00 0.00 C ATOM 596 SG CYS B 19 -6.877 -1.946 -5.852 1.00 0.00 S ATOM 0 H CYS B 19 -5.553 1.391 -6.395 1.00 0.00 H new ATOM 0 HA CYS B 19 -7.144 -0.395 -8.206 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -7.567 0.290 -5.257 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -8.771 -0.504 -6.253 1.00 0.00 H new ATOM 601 N GLY B 20 -7.706 2.643 -7.065 1.00 0.00 N ATOM 602 CA GLY B 20 -8.472 3.877 -7.403 1.00 0.00 C ATOM 603 C GLY B 20 -9.630 4.064 -6.420 1.00 0.00 C ATOM 604 O GLY B 20 -9.458 3.999 -5.219 1.00 0.00 O ATOM 0 H GLY B 20 -7.040 2.739 -6.298 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -7.813 4.744 -7.369 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -8.856 3.808 -8.421 1.00 0.00 H new ATOM 608 N GLU B 21 -10.807 4.315 -6.927 1.00 0.00 N ATOM 609 CA GLU B 21 -11.984 4.532 -6.043 1.00 0.00 C ATOM 610 C GLU B 21 -12.252 3.290 -5.182 1.00 0.00 C ATOM 611 O GLU B 21 -13.036 3.332 -4.255 1.00 0.00 O ATOM 612 CB GLU B 21 -13.205 4.849 -6.920 1.00 0.00 C ATOM 613 CG GLU B 21 -13.917 3.558 -7.345 1.00 0.00 C ATOM 614 CD GLU B 21 -14.991 3.884 -8.385 1.00 0.00 C ATOM 615 OE1 GLU B 21 -14.930 4.961 -8.954 1.00 0.00 O ATOM 616 OE2 GLU B 21 -15.858 3.051 -8.593 1.00 0.00 O ATOM 0 H GLU B 21 -11.003 4.379 -7.926 1.00 0.00 H new ATOM 0 HA GLU B 21 -11.785 5.366 -5.370 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -13.897 5.488 -6.372 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -12.890 5.404 -7.803 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -13.197 2.853 -7.760 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -14.370 3.078 -6.478 1.00 0.00 H new ATOM 623 N ARG B 22 -11.618 2.187 -5.475 1.00 0.00 N ATOM 624 CA ARG B 22 -11.860 0.963 -4.660 1.00 0.00 C ATOM 625 C ARG B 22 -11.615 1.280 -3.184 1.00 0.00 C ATOM 626 O ARG B 22 -12.071 0.577 -2.304 1.00 0.00 O ATOM 627 CB ARG B 22 -10.917 -0.154 -5.110 1.00 0.00 C ATOM 628 CG ARG B 22 -11.691 -1.473 -5.186 1.00 0.00 C ATOM 629 CD ARG B 22 -12.787 -1.366 -6.250 1.00 0.00 C ATOM 630 NE ARG B 22 -13.004 -2.699 -6.882 1.00 0.00 N ATOM 631 CZ ARG B 22 -14.217 -3.129 -7.108 1.00 0.00 C ATOM 632 NH1 ARG B 22 -14.990 -3.459 -6.110 1.00 0.00 N ATOM 633 NH2 ARG B 22 -14.660 -3.227 -8.333 1.00 0.00 N ATOM 0 H ARG B 22 -10.948 2.081 -6.237 1.00 0.00 H new ATOM 0 HA ARG B 22 -12.891 0.636 -4.796 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -10.489 0.086 -6.083 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -10.086 -0.247 -4.411 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -11.013 -2.291 -5.429 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -12.133 -1.703 -4.217 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -13.713 -1.012 -5.798 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -12.502 -0.635 -7.007 1.00 0.00 H new ATOM 0 HE ARG B 22 -12.203 -3.277 -7.139 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -14.648 -3.381 -5.152 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -15.937 -3.795 -6.287 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -14.059 -2.968 -9.115 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -15.607 -3.563 -8.507 1.00 0.00 H new ATOM 647 N GLY B 23 -10.903 2.338 -2.904 1.00 0.00 N ATOM 648 CA GLY B 23 -10.636 2.701 -1.484 1.00 0.00 C ATOM 649 C GLY B 23 -9.613 1.733 -0.891 1.00 0.00 C ATOM 650 O GLY B 23 -9.528 0.586 -1.284 1.00 0.00 O ATOM 0 H GLY B 23 -10.495 2.966 -3.597 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -10.262 3.723 -1.424 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -11.561 2.665 -0.909 1.00 0.00 H new ATOM 654 N PHE B 24 -8.836 2.183 0.055 1.00 0.00 N ATOM 655 CA PHE B 24 -7.822 1.284 0.673 1.00 0.00 C ATOM 656 C PHE B 24 -8.104 1.146 2.170 1.00 0.00 C ATOM 657 O PHE B 24 -8.837 1.922 2.749 1.00 0.00 O ATOM 658 CB PHE B 24 -6.420 1.864 0.469 1.00 0.00 C ATOM 659 CG PHE B 24 -6.485 3.373 0.418 1.00 0.00 C ATOM 660 CD1 PHE B 24 -6.705 4.022 -0.803 1.00 0.00 C ATOM 661 CD2 PHE B 24 -6.315 4.123 1.590 1.00 0.00 C ATOM 662 CE1 PHE B 24 -6.753 5.421 -0.853 1.00 0.00 C ATOM 663 CE2 PHE B 24 -6.366 5.523 1.540 1.00 0.00 C ATOM 664 CZ PHE B 24 -6.584 6.172 0.316 1.00 0.00 C ATOM 0 H PHE B 24 -8.859 3.133 0.426 1.00 0.00 H new ATOM 0 HA PHE B 24 -7.878 0.304 0.200 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -5.765 1.548 1.281 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -5.990 1.479 -0.456 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -6.838 3.444 -1.706 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -6.145 3.622 2.532 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -6.921 5.921 -1.795 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -6.238 6.101 2.443 1.00 0.00 H new ATOM 0 HZ PHE B 24 -6.621 7.251 0.275 1.00 0.00 H new ATOM 674 N PHE B 25 -7.527 0.160 2.800 1.00 0.00 N ATOM 675 CA PHE B 25 -7.761 -0.032 4.258 1.00 0.00 C ATOM 676 C PHE B 25 -6.744 0.784 5.052 1.00 0.00 C ATOM 677 O PHE B 25 -7.083 1.728 5.738 1.00 0.00 O ATOM 678 CB PHE B 25 -7.607 -1.514 4.605 1.00 0.00 C ATOM 679 CG PHE B 25 -8.719 -1.935 5.535 1.00 0.00 C ATOM 680 CD1 PHE B 25 -10.020 -2.103 5.044 1.00 0.00 C ATOM 681 CD2 PHE B 25 -8.447 -2.159 6.891 1.00 0.00 C ATOM 682 CE1 PHE B 25 -11.050 -2.496 5.909 1.00 0.00 C ATOM 683 CE2 PHE B 25 -9.476 -2.552 7.756 1.00 0.00 C ATOM 684 CZ PHE B 25 -10.778 -2.721 7.265 1.00 0.00 C ATOM 0 H PHE B 25 -6.903 -0.521 2.367 1.00 0.00 H new ATOM 0 HA PHE B 25 -8.768 0.301 4.511 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -7.632 -2.115 3.696 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -6.640 -1.689 5.076 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -10.229 -1.930 3.999 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -7.444 -2.029 7.269 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -12.053 -2.625 5.531 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -9.266 -2.725 8.801 1.00 0.00 H new ATOM 0 HZ PHE B 25 -11.571 -3.025 7.932 1.00 0.00 H new ATOM 694 N TYR B 26 -5.502 0.425 4.956 1.00 0.00 N ATOM 695 CA TYR B 26 -4.445 1.169 5.695 1.00 0.00 C ATOM 696 C TYR B 26 -4.735 1.112 7.197 1.00 0.00 C ATOM 697 O TYR B 26 -5.508 1.889 7.721 1.00 0.00 O ATOM 698 CB TYR B 26 -4.436 2.624 5.227 1.00 0.00 C ATOM 699 CG TYR B 26 -3.534 3.443 6.119 1.00 0.00 C ATOM 700 CD1 TYR B 26 -4.050 4.059 7.267 1.00 0.00 C ATOM 701 CD2 TYR B 26 -2.179 3.591 5.793 1.00 0.00 C ATOM 702 CE1 TYR B 26 -3.209 4.822 8.090 1.00 0.00 C ATOM 703 CE2 TYR B 26 -1.340 4.353 6.615 1.00 0.00 C ATOM 704 CZ TYR B 26 -1.854 4.969 7.763 1.00 0.00 C ATOM 705 OH TYR B 26 -1.026 5.720 8.573 1.00 0.00 O ATOM 0 H TYR B 26 -5.167 -0.357 4.394 1.00 0.00 H new ATOM 0 HA TYR B 26 -3.472 0.717 5.500 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -4.091 2.681 4.195 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -5.448 3.029 5.248 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -5.094 3.946 7.518 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -1.782 3.117 4.907 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -3.605 5.296 8.976 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -0.296 4.466 6.364 1.00 0.00 H new ATOM 0 HH TYR B 26 -0.118 5.719 8.204 1.00 0.00 H new ATOM 715 N THR B 27 -4.116 0.197 7.894 1.00 0.00 N ATOM 716 CA THR B 27 -4.349 0.088 9.364 1.00 0.00 C ATOM 717 C THR B 27 -3.031 0.346 10.100 1.00 0.00 C ATOM 718 O THR B 27 -1.964 0.074 9.588 1.00 0.00 O ATOM 719 CB THR B 27 -4.872 -1.316 9.716 1.00 0.00 C ATOM 720 OG1 THR B 27 -4.198 -1.795 10.873 1.00 0.00 O ATOM 721 CG2 THR B 27 -4.631 -2.281 8.550 1.00 0.00 C ATOM 0 H THR B 27 -3.458 -0.481 7.509 1.00 0.00 H new ATOM 0 HA THR B 27 -5.093 0.825 9.667 1.00 0.00 H new ATOM 0 HB THR B 27 -5.943 -1.256 9.910 1.00 0.00 H new ATOM 0 HG1 THR B 27 -4.531 -2.688 11.099 1.00 0.00 H new ATOM 0 HG21 THR B 27 -5.006 -3.270 8.813 1.00 0.00 H new ATOM 0 HG22 THR B 27 -5.153 -1.919 7.664 1.00 0.00 H new ATOM 0 HG23 THR B 27 -3.563 -2.341 8.342 1.00 0.00 H new ATOM 729 N LYS B 28 -3.093 0.878 11.290 1.00 0.00 N ATOM 730 CA LYS B 28 -1.833 1.158 12.038 1.00 0.00 C ATOM 731 C LYS B 28 -1.525 0.036 13.030 1.00 0.00 C ATOM 732 O LYS B 28 -0.470 -0.564 12.967 1.00 0.00 O ATOM 733 CB LYS B 28 -1.957 2.466 12.822 1.00 0.00 C ATOM 734 CG LYS B 28 -0.849 3.435 12.373 1.00 0.00 C ATOM 735 CD LYS B 28 -1.426 4.791 11.925 1.00 0.00 C ATOM 736 CE LYS B 28 -2.437 5.297 12.958 1.00 0.00 C ATOM 737 NZ LYS B 28 -1.825 5.258 14.318 1.00 0.00 N ATOM 0 H LYS B 28 -3.955 1.130 11.775 1.00 0.00 H new ATOM 0 HA LYS B 28 -1.029 1.232 11.306 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -2.937 2.913 12.654 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -1.875 2.272 13.891 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -0.148 3.591 13.193 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -0.287 2.990 11.552 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -0.621 5.516 11.806 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -1.908 4.687 10.953 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -2.742 6.315 12.715 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -3.336 4.680 12.935 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -2.223 6.022 14.900 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -2.029 4.341 14.764 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -0.796 5.383 14.239 1.00 0.00 H new ATOM 751 N PRO B 29 -2.429 -0.188 13.950 1.00 0.00 N ATOM 752 CA PRO B 29 -2.238 -1.198 14.999 1.00 0.00 C ATOM 753 C PRO B 29 -2.580 -2.601 14.484 1.00 0.00 C ATOM 754 O PRO B 29 -3.317 -2.761 13.532 1.00 0.00 O ATOM 755 CB PRO B 29 -3.221 -0.755 16.081 1.00 0.00 C ATOM 756 CG PRO B 29 -4.317 0.073 15.375 1.00 0.00 C ATOM 757 CD PRO B 29 -3.722 0.531 14.036 1.00 0.00 C ATOM 0 HA PRO B 29 -1.209 -1.263 15.352 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -3.654 -1.618 16.587 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -2.716 -0.160 16.842 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -5.214 -0.526 15.216 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -4.609 0.929 15.983 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -4.376 0.277 13.202 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -3.580 1.611 14.012 1.00 0.00 H new ATOM 765 N THR B 30 -2.049 -3.618 15.111 1.00 0.00 N ATOM 766 CA THR B 30 -2.344 -5.009 14.662 1.00 0.00 C ATOM 767 C THR B 30 -3.769 -5.384 15.069 1.00 0.00 C ATOM 768 O THR B 30 -4.657 -4.574 14.859 1.00 0.00 O ATOM 769 CB THR B 30 -1.359 -5.983 15.316 1.00 0.00 C ATOM 770 OG1 THR B 30 -1.610 -6.041 16.714 1.00 0.00 O ATOM 771 CG2 THR B 30 0.073 -5.508 15.071 1.00 0.00 C ATOM 772 OXT THR B 30 -3.949 -6.475 15.585 1.00 0.00 O ATOM 0 H THR B 30 -1.424 -3.545 15.914 1.00 0.00 H new ATOM 0 HA THR B 30 -2.244 -5.065 13.578 1.00 0.00 H new ATOM 0 HB THR B 30 -1.487 -6.975 14.882 1.00 0.00 H new ATOM 0 HG1 THR B 30 -2.472 -6.479 16.874 1.00 0.00 H new ATOM 0 HG21 THR B 30 0.772 -6.203 15.537 1.00 0.00 H new ATOM 0 HG22 THR B 30 0.264 -5.466 13.999 1.00 0.00 H new ATOM 0 HG23 THR B 30 0.206 -4.516 15.502 1.00 0.00 H new TER 780 THR B 30