USER MOD reduce.3.24.130724 H: found=0, std=0, add=376, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 376 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0465 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0191 X(o=-0.019,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.026 X(o=-0.026,f=-0.037) USER MOD Single : A 19 TYR OH : rot -157:sc= -0.0892 USER MOD Single : A 21 ASN : amide:sc= -2.13 K(o=-2.1,f=-6.9!) USER MOD Single : B 1 PHE N :NH3+ 138:sc= -6.93! (180deg=-9.99!) USER MOD Single : B 3 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : B 4 GLN : amide:sc= -2.94! C(o=-2.9!,f=-8!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 16 TYR OH : rot 165:sc= -0.973 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot -151:sc= 1.58 USER MOD Single : B 28 LYS NZ :NH3+ 178:sc= 1.59 (180deg=1.59) USER MOD Single : B 30 THR OG1 : rot 180:sc= -0.162 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.214 2.107 4.100 1.00 0.00 N ATOM 2 CA GLY A 1 -7.981 2.938 4.179 1.00 0.00 C ATOM 3 C GLY A 1 -6.784 2.261 3.542 1.00 0.00 C ATOM 4 O GLY A 1 -6.503 1.094 3.815 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.003 2.614 4.549 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.444 1.921 3.103 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.057 1.205 4.593 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.159 3.894 3.686 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.759 3.154 5.224 1.00 0.00 H new ATOM 10 N ILE A 2 -6.077 2.996 2.689 1.00 0.00 N ATOM 11 CA ILE A 2 -4.904 2.462 2.008 1.00 0.00 C ATOM 12 C ILE A 2 -4.297 3.501 1.075 1.00 0.00 C ATOM 13 O ILE A 2 -3.083 3.704 1.058 1.00 0.00 O ATOM 14 CB ILE A 2 -5.255 1.189 1.205 1.00 0.00 C ATOM 15 CG1 ILE A 2 -4.044 0.698 0.390 1.00 0.00 C ATOM 16 CG2 ILE A 2 -6.456 1.447 0.307 1.00 0.00 C ATOM 17 CD1 ILE A 2 -3.990 1.214 -1.036 1.00 0.00 C ATOM 0 H ILE A 2 -6.297 3.964 2.453 1.00 0.00 H new ATOM 0 HA ILE A 2 -4.174 2.203 2.775 1.00 0.00 H new ATOM 0 HB ILE A 2 -5.518 0.399 1.908 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -3.131 0.997 0.905 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -4.056 -0.392 0.368 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -6.693 0.542 -0.253 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -7.313 1.730 0.918 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -6.224 2.254 -0.388 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -3.105 0.817 -1.533 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -4.883 0.893 -1.573 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -3.944 2.303 -1.027 1.00 0.00 H new ATOM 29 N VAL A 3 -5.151 4.156 0.299 1.00 0.00 N ATOM 30 CA VAL A 3 -4.699 5.174 -0.639 1.00 0.00 C ATOM 31 C VAL A 3 -4.689 6.556 -0.001 1.00 0.00 C ATOM 32 O VAL A 3 -3.768 7.339 -0.209 1.00 0.00 O ATOM 33 CB VAL A 3 -5.575 5.222 -1.901 1.00 0.00 C ATOM 34 CG1 VAL A 3 -4.840 5.943 -3.015 1.00 0.00 C ATOM 35 CG2 VAL A 3 -5.974 3.822 -2.340 1.00 0.00 C ATOM 0 H VAL A 3 -6.159 4.000 0.301 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.684 4.895 -0.920 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.487 5.771 -1.668 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.468 5.973 -3.906 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.609 6.961 -2.700 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.914 5.415 -3.241 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.593 3.884 -3.235 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.079 3.240 -2.558 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.537 3.337 -1.542 1.00 0.00 H new ATOM 45 N GLU A 4 -5.726 6.854 0.770 1.00 0.00 N ATOM 46 CA GLU A 4 -5.843 8.151 1.432 1.00 0.00 C ATOM 47 C GLU A 4 -4.527 8.558 2.091 1.00 0.00 C ATOM 48 O GLU A 4 -4.163 9.734 2.097 1.00 0.00 O ATOM 49 CB GLU A 4 -6.958 8.112 2.479 1.00 0.00 C ATOM 50 CG GLU A 4 -8.333 7.835 1.892 1.00 0.00 C ATOM 51 CD GLU A 4 -9.437 8.571 2.624 1.00 0.00 C ATOM 52 OE1 GLU A 4 -9.396 8.614 3.871 1.00 0.00 O ATOM 53 OE2 GLU A 4 -10.343 9.104 1.950 1.00 0.00 O ATOM 0 H GLU A 4 -6.500 6.216 0.954 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.088 8.893 0.672 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.726 7.344 3.217 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.983 9.065 3.007 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.341 8.126 0.842 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.530 6.764 1.927 1.00 0.00 H new ATOM 60 N GLN A 5 -3.824 7.580 2.649 1.00 0.00 N ATOM 61 CA GLN A 5 -2.551 7.834 3.318 1.00 0.00 C ATOM 62 C GLN A 5 -1.371 7.713 2.355 1.00 0.00 C ATOM 63 O GLN A 5 -0.483 8.566 2.334 1.00 0.00 O ATOM 64 CB GLN A 5 -2.366 6.863 4.483 1.00 0.00 C ATOM 65 CG GLN A 5 -1.530 7.427 5.620 1.00 0.00 C ATOM 66 CD GLN A 5 -1.889 6.822 6.963 1.00 0.00 C ATOM 67 OE1 GLN A 5 -1.370 5.772 7.343 1.00 0.00 O ATOM 68 NE2 GLN A 5 -2.781 7.485 7.690 1.00 0.00 N ATOM 0 H GLN A 5 -4.113 6.602 2.652 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.576 8.857 3.693 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.346 6.581 4.869 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.895 5.952 4.114 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.475 7.246 5.415 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.666 8.508 5.664 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -3.185 8.352 7.335 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.062 7.128 8.603 1.00 0.00 H new ATOM 77 N CYS A 6 -1.356 6.637 1.577 1.00 0.00 N ATOM 78 CA CYS A 6 -0.274 6.388 0.629 1.00 0.00 C ATOM 79 C CYS A 6 -0.290 7.386 -0.528 1.00 0.00 C ATOM 80 O CYS A 6 0.747 7.667 -1.130 1.00 0.00 O ATOM 81 CB CYS A 6 -0.370 4.960 0.086 1.00 0.00 C ATOM 82 SG CYS A 6 0.104 3.671 1.286 1.00 0.00 S ATOM 0 H CYS A 6 -2.082 5.921 1.583 1.00 0.00 H new ATOM 0 HA CYS A 6 0.667 6.514 1.164 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.393 4.776 -0.243 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.268 4.874 -0.794 1.00 0.00 H new ATOM 87 N CYS A 7 -1.466 7.911 -0.840 1.00 0.00 N ATOM 88 CA CYS A 7 -1.613 8.869 -1.931 1.00 0.00 C ATOM 89 C CYS A 7 -1.335 10.290 -1.456 1.00 0.00 C ATOM 90 O CYS A 7 -0.467 10.975 -1.995 1.00 0.00 O ATOM 91 CB CYS A 7 -3.018 8.778 -2.533 1.00 0.00 C ATOM 92 SG CYS A 7 -3.345 9.990 -3.857 1.00 0.00 S ATOM 0 H CYS A 7 -2.335 7.691 -0.353 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.881 8.619 -2.699 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.166 7.774 -2.930 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.751 8.918 -1.739 1.00 0.00 H new ATOM 97 N THR A 8 -2.075 10.725 -0.441 1.00 0.00 N ATOM 98 CA THR A 8 -1.911 12.065 0.117 1.00 0.00 C ATOM 99 C THR A 8 -0.436 12.404 0.287 1.00 0.00 C ATOM 100 O THR A 8 0.024 13.475 -0.109 1.00 0.00 O ATOM 101 CB THR A 8 -2.620 12.148 1.467 1.00 0.00 C ATOM 102 OG1 THR A 8 -2.662 13.484 1.937 1.00 0.00 O ATOM 103 CG2 THR A 8 -1.974 11.299 2.538 1.00 0.00 C ATOM 0 H THR A 8 -2.797 10.167 0.014 1.00 0.00 H new ATOM 0 HA THR A 8 -2.352 12.785 -0.573 1.00 0.00 H new ATOM 0 HB THR A 8 -3.625 11.767 1.285 1.00 0.00 H new ATOM 0 HG1 THR A 8 -3.122 13.512 2.802 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.528 11.405 3.470 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.982 10.254 2.228 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.945 11.625 2.689 1.00 0.00 H new ATOM 111 N SER A 9 0.294 11.471 0.879 1.00 0.00 N ATOM 112 CA SER A 9 1.722 11.641 1.111 1.00 0.00 C ATOM 113 C SER A 9 2.517 10.564 0.378 1.00 0.00 C ATOM 114 O SER A 9 1.986 9.869 -0.488 1.00 0.00 O ATOM 115 CB SER A 9 2.027 11.588 2.609 1.00 0.00 C ATOM 116 OG SER A 9 3.167 12.367 2.926 1.00 0.00 O ATOM 0 H SER A 9 -0.081 10.582 1.210 1.00 0.00 H new ATOM 0 HA SER A 9 2.018 12.616 0.724 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.167 11.951 3.171 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.193 10.555 2.913 1.00 0.00 H new ATOM 0 HG SER A 9 3.339 12.318 3.889 1.00 0.00 H new ATOM 122 N ILE A 10 3.791 10.433 0.729 1.00 0.00 N ATOM 123 CA ILE A 10 4.659 9.441 0.104 1.00 0.00 C ATOM 124 C ILE A 10 4.685 8.163 0.928 1.00 0.00 C ATOM 125 O ILE A 10 5.263 8.127 2.015 1.00 0.00 O ATOM 126 CB ILE A 10 6.106 9.960 -0.066 1.00 0.00 C ATOM 127 CG1 ILE A 10 6.143 11.490 -0.028 1.00 0.00 C ATOM 128 CG2 ILE A 10 6.701 9.452 -1.370 1.00 0.00 C ATOM 129 CD1 ILE A 10 5.135 12.138 -0.951 1.00 0.00 C ATOM 0 H ILE A 10 4.246 11.001 1.443 1.00 0.00 H new ATOM 0 HA ILE A 10 4.248 9.240 -0.885 1.00 0.00 H new ATOM 0 HB ILE A 10 6.703 9.581 0.764 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.958 11.825 0.993 1.00 0.00 H new ATOM 0 HG13 ILE A 10 7.143 11.829 -0.299 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.719 9.826 -1.475 1.00 0.00 H new ATOM 0 HG22 ILE A 10 6.713 8.362 -1.364 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.097 9.804 -2.207 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.216 13.222 -0.874 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.332 11.831 -1.978 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.129 11.828 -0.667 1.00 0.00 H new ATOM 141 N CYS A 11 4.045 7.119 0.418 1.00 0.00 N ATOM 142 CA CYS A 11 3.993 5.852 1.130 1.00 0.00 C ATOM 143 C CYS A 11 5.246 5.021 0.884 1.00 0.00 C ATOM 144 O CYS A 11 5.687 4.860 -0.253 1.00 0.00 O ATOM 145 CB CYS A 11 2.755 5.046 0.721 1.00 0.00 C ATOM 146 SG CYS A 11 1.809 4.380 2.130 1.00 0.00 S ATOM 0 H CYS A 11 3.559 7.125 -0.479 1.00 0.00 H new ATOM 0 HA CYS A 11 3.934 6.084 2.193 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.101 5.681 0.124 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.066 4.220 0.082 1.00 0.00 H new ATOM 151 N SER A 12 5.799 4.477 1.961 1.00 0.00 N ATOM 152 CA SER A 12 6.986 3.640 1.869 1.00 0.00 C ATOM 153 C SER A 12 6.575 2.187 1.675 1.00 0.00 C ATOM 154 O SER A 12 5.760 1.664 2.427 1.00 0.00 O ATOM 155 CB SER A 12 7.842 3.781 3.128 1.00 0.00 C ATOM 156 OG SER A 12 8.208 5.133 3.349 1.00 0.00 O ATOM 0 H SER A 12 5.443 4.601 2.909 1.00 0.00 H new ATOM 0 HA SER A 12 7.579 3.964 1.013 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.291 3.405 3.990 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.739 3.169 3.032 1.00 0.00 H new ATOM 0 HG SER A 12 8.753 5.196 4.161 1.00 0.00 H new ATOM 162 N LEU A 13 7.130 1.543 0.656 1.00 0.00 N ATOM 163 CA LEU A 13 6.806 0.149 0.356 1.00 0.00 C ATOM 164 C LEU A 13 6.728 -0.696 1.611 1.00 0.00 C ATOM 165 O LEU A 13 5.898 -1.598 1.720 1.00 0.00 O ATOM 166 CB LEU A 13 7.842 -0.428 -0.595 1.00 0.00 C ATOM 167 CG LEU A 13 7.557 -0.142 -2.059 1.00 0.00 C ATOM 168 CD1 LEU A 13 7.174 1.320 -2.238 1.00 0.00 C ATOM 169 CD2 LEU A 13 8.754 -0.500 -2.921 1.00 0.00 C ATOM 0 H LEU A 13 7.809 1.963 0.020 1.00 0.00 H new ATOM 0 HA LEU A 13 5.823 0.131 -0.115 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.821 -0.023 -0.339 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.895 -1.507 -0.449 1.00 0.00 H new ATOM 0 HG LEU A 13 6.720 -0.762 -2.381 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.971 1.517 -3.291 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.282 1.537 -1.650 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.994 1.955 -1.902 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.527 -0.287 -3.966 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.616 0.090 -2.609 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.980 -1.560 -2.808 1.00 0.00 H new ATOM 181 N TYR A 14 7.587 -0.386 2.563 1.00 0.00 N ATOM 182 CA TYR A 14 7.605 -1.105 3.827 1.00 0.00 C ATOM 183 C TYR A 14 6.215 -1.072 4.448 1.00 0.00 C ATOM 184 O TYR A 14 5.762 -2.041 5.054 1.00 0.00 O ATOM 185 CB TYR A 14 8.629 -0.485 4.780 1.00 0.00 C ATOM 186 CG TYR A 14 8.634 -1.109 6.157 1.00 0.00 C ATOM 187 CD1 TYR A 14 8.560 -2.487 6.315 1.00 0.00 C ATOM 188 CD2 TYR A 14 8.708 -0.321 7.297 1.00 0.00 C ATOM 189 CE1 TYR A 14 8.562 -3.062 7.572 1.00 0.00 C ATOM 190 CE2 TYR A 14 8.712 -0.887 8.557 1.00 0.00 C ATOM 191 CZ TYR A 14 8.638 -2.258 8.689 1.00 0.00 C ATOM 192 OH TYR A 14 8.640 -2.826 9.943 1.00 0.00 O ATOM 0 H TYR A 14 8.281 0.357 2.488 1.00 0.00 H new ATOM 0 HA TYR A 14 7.893 -2.141 3.645 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.623 -0.581 4.344 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.425 0.581 4.875 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.500 -3.119 5.442 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.763 0.753 7.197 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.504 -4.135 7.678 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.773 -0.260 9.434 1.00 0.00 H new ATOM 0 HH TYR A 14 8.700 -2.121 10.621 1.00 0.00 H new ATOM 202 N GLN A 15 5.533 0.050 4.255 1.00 0.00 N ATOM 203 CA GLN A 15 4.180 0.220 4.765 1.00 0.00 C ATOM 204 C GLN A 15 3.186 -0.385 3.791 1.00 0.00 C ATOM 205 O GLN A 15 2.158 -0.933 4.190 1.00 0.00 O ATOM 206 CB GLN A 15 3.870 1.702 4.985 1.00 0.00 C ATOM 207 CG GLN A 15 4.907 2.422 5.830 1.00 0.00 C ATOM 208 CD GLN A 15 4.346 3.648 6.522 1.00 0.00 C ATOM 209 OE1 GLN A 15 4.706 4.779 6.197 1.00 0.00 O ATOM 210 NE2 GLN A 15 3.456 3.430 7.485 1.00 0.00 N ATOM 0 H GLN A 15 5.896 0.857 3.748 1.00 0.00 H new ATOM 0 HA GLN A 15 4.099 -0.292 5.724 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.796 2.197 4.017 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.896 1.793 5.465 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.301 1.735 6.579 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.744 2.718 5.197 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.185 2.476 7.723 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.044 4.217 7.986 1.00 0.00 H new ATOM 219 N LEU A 16 3.512 -0.297 2.508 1.00 0.00 N ATOM 220 CA LEU A 16 2.664 -0.851 1.470 1.00 0.00 C ATOM 221 C LEU A 16 2.553 -2.365 1.631 1.00 0.00 C ATOM 222 O LEU A 16 1.619 -2.985 1.124 1.00 0.00 O ATOM 223 CB LEU A 16 3.219 -0.508 0.087 1.00 0.00 C ATOM 224 CG LEU A 16 2.166 -0.365 -1.013 1.00 0.00 C ATOM 225 CD1 LEU A 16 1.343 0.897 -0.811 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.817 -0.362 -2.387 1.00 0.00 C ATOM 0 H LEU A 16 4.360 0.154 2.165 1.00 0.00 H new ATOM 0 HA LEU A 16 1.670 -0.413 1.565 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.779 0.425 0.157 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.927 -1.283 -0.207 1.00 0.00 H new ATOM 0 HG LEU A 16 1.497 -1.224 -0.953 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.601 0.978 -1.605 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.839 0.852 0.154 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.999 1.767 -0.837 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.049 -0.259 -3.153 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.514 0.473 -2.458 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.356 -1.298 -2.536 1.00 0.00 H new ATOM 238 N GLU A 17 3.506 -2.954 2.353 1.00 0.00 N ATOM 239 CA GLU A 17 3.501 -4.392 2.586 1.00 0.00 C ATOM 240 C GLU A 17 2.446 -4.766 3.624 1.00 0.00 C ATOM 241 O GLU A 17 2.119 -5.940 3.795 1.00 0.00 O ATOM 242 CB GLU A 17 4.881 -4.861 3.051 1.00 0.00 C ATOM 243 CG GLU A 17 5.111 -6.351 2.868 1.00 0.00 C ATOM 244 CD GLU A 17 5.948 -6.954 3.979 1.00 0.00 C ATOM 245 OE1 GLU A 17 5.591 -6.764 5.161 1.00 0.00 O ATOM 246 OE2 GLU A 17 6.960 -7.616 3.669 1.00 0.00 O ATOM 0 H GLU A 17 4.286 -2.458 2.783 1.00 0.00 H new ATOM 0 HA GLU A 17 3.257 -4.888 1.647 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.646 -4.314 2.500 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.005 -4.609 4.104 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.148 -6.861 2.826 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.605 -6.524 1.912 1.00 0.00 H new ATOM 253 N ASN A 18 1.914 -3.759 4.315 1.00 0.00 N ATOM 254 CA ASN A 18 0.897 -3.986 5.336 1.00 0.00 C ATOM 255 C ASN A 18 -0.496 -4.130 4.719 1.00 0.00 C ATOM 256 O ASN A 18 -1.487 -4.274 5.436 1.00 0.00 O ATOM 257 CB ASN A 18 0.899 -2.840 6.349 1.00 0.00 C ATOM 258 CG ASN A 18 0.281 -3.238 7.675 1.00 0.00 C ATOM 259 OD1 ASN A 18 0.779 -4.131 8.362 1.00 0.00 O ATOM 260 ND2 ASN A 18 -0.810 -2.576 8.042 1.00 0.00 N ATOM 0 H ASN A 18 2.171 -2.780 4.186 1.00 0.00 H new ATOM 0 HA ASN A 18 1.141 -4.919 5.843 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.924 -2.507 6.514 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.351 -1.993 5.936 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.270 -2.800 8.924 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.188 -1.843 7.441 1.00 0.00 H new ATOM 267 N TYR A 19 -0.572 -4.090 3.390 1.00 0.00 N ATOM 268 CA TYR A 19 -1.846 -4.216 2.693 1.00 0.00 C ATOM 269 C TYR A 19 -2.029 -5.623 2.125 1.00 0.00 C ATOM 270 O TYR A 19 -3.153 -6.049 1.858 1.00 0.00 O ATOM 271 CB TYR A 19 -1.941 -3.183 1.568 1.00 0.00 C ATOM 272 CG TYR A 19 -1.964 -1.748 2.052 1.00 0.00 C ATOM 273 CD1 TYR A 19 -3.039 -1.255 2.785 1.00 0.00 C ATOM 274 CD2 TYR A 19 -0.913 -0.884 1.771 1.00 0.00 C ATOM 275 CE1 TYR A 19 -3.061 0.055 3.225 1.00 0.00 C ATOM 276 CE2 TYR A 19 -0.928 0.428 2.208 1.00 0.00 C ATOM 277 CZ TYR A 19 -2.004 0.892 2.935 1.00 0.00 C ATOM 278 OH TYR A 19 -2.022 2.197 3.371 1.00 0.00 O ATOM 0 H TYR A 19 0.234 -3.971 2.777 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.641 -4.033 3.415 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.094 -3.315 0.894 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.843 -3.375 0.987 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.869 -1.906 3.014 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.069 -1.243 1.201 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.903 0.422 3.794 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.102 1.085 1.981 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.430 2.738 2.808 1.00 0.00 H new ATOM 288 N CYS A 20 -0.923 -6.346 1.940 1.00 0.00 N ATOM 289 CA CYS A 20 -0.987 -7.700 1.402 1.00 0.00 C ATOM 290 C CYS A 20 -1.724 -8.634 2.356 1.00 0.00 C ATOM 291 O CYS A 20 -1.655 -8.471 3.574 1.00 0.00 O ATOM 292 CB CYS A 20 0.405 -8.235 1.108 1.00 0.00 C ATOM 293 SG CYS A 20 1.424 -8.589 2.569 1.00 0.00 S ATOM 0 H CYS A 20 0.019 -6.018 2.154 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.544 -7.658 0.466 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.309 -9.149 0.522 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.931 -7.511 0.485 1.00 0.00 H new ATOM 298 N ASN A 21 -2.433 -9.609 1.798 1.00 0.00 N ATOM 299 CA ASN A 21 -3.186 -10.564 2.604 1.00 0.00 C ATOM 300 C ASN A 21 -2.260 -11.610 3.218 1.00 0.00 C ATOM 301 O ASN A 21 -1.039 -11.453 3.211 1.00 0.00 O ATOM 302 CB ASN A 21 -4.258 -11.248 1.754 1.00 0.00 C ATOM 303 CG ASN A 21 -3.671 -12.001 0.578 1.00 0.00 C ATOM 304 OD1 ASN A 21 -2.524 -12.445 0.619 1.00 0.00 O ATOM 305 ND2 ASN A 21 -4.457 -12.147 -0.482 1.00 0.00 N ATOM 306 OXT ASN A 21 -2.788 -12.611 3.763 1.00 0.00 O ATOM 0 H ASN A 21 -2.502 -9.759 0.792 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.670 -10.016 3.413 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.825 -11.939 2.377 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.960 -10.499 1.388 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.116 -12.644 -1.305 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.402 -11.763 -0.473 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 9.623 2.277 -3.421 1.00 0.00 N ATOM 315 CA PHE B 1 11.073 2.187 -3.283 1.00 0.00 C ATOM 316 C PHE B 1 11.679 3.575 -3.116 1.00 0.00 C ATOM 317 O PHE B 1 12.508 3.803 -2.235 1.00 0.00 O ATOM 318 CB PHE B 1 11.684 1.488 -4.500 1.00 0.00 C ATOM 319 CG PHE B 1 10.794 0.434 -5.097 1.00 0.00 C ATOM 320 CD1 PHE B 1 9.707 0.791 -5.878 1.00 0.00 C ATOM 321 CD2 PHE B 1 11.042 -0.911 -4.871 1.00 0.00 C ATOM 322 CE1 PHE B 1 8.882 -0.173 -6.423 1.00 0.00 C ATOM 323 CE2 PHE B 1 10.220 -1.880 -5.415 1.00 0.00 C ATOM 324 CZ PHE B 1 9.139 -1.511 -6.191 1.00 0.00 C ATOM 0 H1 PHE B 1 9.304 1.623 -4.164 1.00 0.00 H new ATOM 0 H2 PHE B 1 9.172 2.023 -2.519 1.00 0.00 H new ATOM 0 H3 PHE B 1 9.358 3.249 -3.678 1.00 0.00 H new ATOM 0 HA PHE B 1 11.297 1.599 -2.393 1.00 0.00 H new ATOM 0 HB2 PHE B 1 11.911 2.234 -5.261 1.00 0.00 H new ATOM 0 HB3 PHE B 1 12.630 1.031 -4.209 1.00 0.00 H new ATOM 0 HD1 PHE B 1 9.502 1.835 -6.063 1.00 0.00 H new ATOM 0 HD2 PHE B 1 11.886 -1.205 -4.264 1.00 0.00 H new ATOM 0 HE1 PHE B 1 8.037 0.118 -7.030 1.00 0.00 H new ATOM 0 HE2 PHE B 1 10.423 -2.925 -5.233 1.00 0.00 H new ATOM 0 HZ PHE B 1 8.495 -2.267 -6.616 1.00 0.00 H new ATOM 336 N VAL B 2 11.251 4.498 -3.966 1.00 0.00 N ATOM 337 CA VAL B 2 11.735 5.872 -3.919 1.00 0.00 C ATOM 338 C VAL B 2 10.763 6.754 -3.143 1.00 0.00 C ATOM 339 O VAL B 2 9.906 6.255 -2.413 1.00 0.00 O ATOM 340 CB VAL B 2 11.924 6.449 -5.340 1.00 0.00 C ATOM 341 CG1 VAL B 2 12.686 5.473 -6.213 1.00 0.00 C ATOM 342 CG2 VAL B 2 10.582 6.794 -5.975 1.00 0.00 C ATOM 0 H VAL B 2 10.566 4.319 -4.700 1.00 0.00 H new ATOM 0 HA VAL B 2 12.701 5.862 -3.414 1.00 0.00 H new ATOM 0 HB VAL B 2 12.504 7.368 -5.255 1.00 0.00 H new ATOM 0 HG11 VAL B 2 12.810 5.896 -7.210 1.00 0.00 H new ATOM 0 HG12 VAL B 2 13.666 5.282 -5.776 1.00 0.00 H new ATOM 0 HG13 VAL B 2 12.131 4.537 -6.282 1.00 0.00 H new ATOM 0 HG21 VAL B 2 10.745 7.198 -6.974 1.00 0.00 H new ATOM 0 HG22 VAL B 2 9.970 5.895 -6.043 1.00 0.00 H new ATOM 0 HG23 VAL B 2 10.070 7.536 -5.363 1.00 0.00 H new ATOM 352 N ASN B 3 10.886 8.065 -3.317 1.00 0.00 N ATOM 353 CA ASN B 3 10.000 9.003 -2.647 1.00 0.00 C ATOM 354 C ASN B 3 8.833 9.360 -3.562 1.00 0.00 C ATOM 355 O ASN B 3 8.429 10.519 -3.651 1.00 0.00 O ATOM 356 CB ASN B 3 10.762 10.267 -2.243 1.00 0.00 C ATOM 357 CG ASN B 3 11.619 10.056 -1.010 1.00 0.00 C ATOM 358 OD1 ASN B 3 11.960 8.926 -0.662 1.00 0.00 O ATOM 359 ND2 ASN B 3 11.971 11.148 -0.340 1.00 0.00 N ATOM 0 H ASN B 3 11.589 8.499 -3.915 1.00 0.00 H new ATOM 0 HA ASN B 3 9.612 8.533 -1.744 1.00 0.00 H new ATOM 0 HB2 ASN B 3 11.394 10.587 -3.071 1.00 0.00 H new ATOM 0 HB3 ASN B 3 10.051 11.072 -2.055 1.00 0.00 H new ATOM 0 HD21 ASN B 3 12.546 11.069 0.499 1.00 0.00 H new ATOM 0 HD22 ASN B 3 11.666 12.066 -0.664 1.00 0.00 H new ATOM 366 N GLN B 4 8.304 8.351 -4.250 1.00 0.00 N ATOM 367 CA GLN B 4 7.196 8.543 -5.168 1.00 0.00 C ATOM 368 C GLN B 4 5.853 8.457 -4.449 1.00 0.00 C ATOM 369 O GLN B 4 5.751 7.873 -3.370 1.00 0.00 O ATOM 370 CB GLN B 4 7.261 7.493 -6.276 1.00 0.00 C ATOM 371 CG GLN B 4 6.928 6.085 -5.807 1.00 0.00 C ATOM 372 CD GLN B 4 7.561 5.014 -6.673 1.00 0.00 C ATOM 373 OE1 GLN B 4 8.588 5.243 -7.311 1.00 0.00 O ATOM 374 NE2 GLN B 4 6.950 3.835 -6.699 1.00 0.00 N ATOM 0 H GLN B 4 8.631 7.387 -4.185 1.00 0.00 H new ATOM 0 HA GLN B 4 7.281 9.541 -5.599 1.00 0.00 H new ATOM 0 HB2 GLN B 4 6.570 7.774 -7.071 1.00 0.00 H new ATOM 0 HB3 GLN B 4 8.262 7.495 -6.708 1.00 0.00 H new ATOM 0 HG2 GLN B 4 7.265 5.960 -4.778 1.00 0.00 H new ATOM 0 HG3 GLN B 4 5.846 5.953 -5.806 1.00 0.00 H new ATOM 0 HE21 GLN B 4 6.100 3.689 -6.154 1.00 0.00 H new ATOM 0 HE22 GLN B 4 7.331 3.076 -7.264 1.00 0.00 H new ATOM 383 N ALA B 5 4.823 9.032 -5.061 1.00 0.00 N ATOM 384 CA ALA B 5 3.483 9.008 -4.486 1.00 0.00 C ATOM 385 C ALA B 5 2.799 7.681 -4.782 1.00 0.00 C ATOM 386 O ALA B 5 3.214 6.945 -5.678 1.00 0.00 O ATOM 387 CB ALA B 5 2.652 10.165 -5.018 1.00 0.00 C ATOM 0 H ALA B 5 4.890 9.520 -5.954 1.00 0.00 H new ATOM 0 HA ALA B 5 3.572 9.117 -3.405 1.00 0.00 H new ATOM 0 HB1 ALA B 5 1.656 10.130 -4.578 1.00 0.00 H new ATOM 0 HB2 ALA B 5 3.132 11.108 -4.756 1.00 0.00 H new ATOM 0 HB3 ALA B 5 2.572 10.087 -6.102 1.00 0.00 H new ATOM 393 N LEU B 6 1.753 7.373 -4.024 1.00 0.00 N ATOM 394 CA LEU B 6 1.022 6.126 -4.209 1.00 0.00 C ATOM 395 C LEU B 6 -0.471 6.382 -4.393 1.00 0.00 C ATOM 396 O LEU B 6 -1.221 6.472 -3.422 1.00 0.00 O ATOM 397 CB LEU B 6 1.255 5.201 -3.011 1.00 0.00 C ATOM 398 CG LEU B 6 2.385 4.178 -3.181 1.00 0.00 C ATOM 399 CD1 LEU B 6 1.891 2.960 -3.941 1.00 0.00 C ATOM 400 CD2 LEU B 6 3.578 4.798 -3.895 1.00 0.00 C ATOM 0 H LEU B 6 1.393 7.968 -3.278 1.00 0.00 H new ATOM 0 HA LEU B 6 1.394 5.645 -5.113 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.471 5.814 -2.136 1.00 0.00 H new ATOM 0 HB3 LEU B 6 0.330 4.664 -2.803 1.00 0.00 H new ATOM 0 HG LEU B 6 2.707 3.863 -2.188 1.00 0.00 H new ATOM 0 HD11 LEU B 6 2.706 2.245 -4.052 1.00 0.00 H new ATOM 0 HD12 LEU B 6 1.073 2.495 -3.391 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.539 3.264 -4.927 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.365 4.052 -4.003 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.271 5.147 -4.881 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.953 5.640 -3.313 1.00 0.00 H new ATOM 412 N CYS B 7 -0.892 6.495 -5.649 1.00 0.00 N ATOM 413 CA CYS B 7 -2.294 6.736 -5.968 1.00 0.00 C ATOM 414 C CYS B 7 -2.712 5.948 -7.205 1.00 0.00 C ATOM 415 O CYS B 7 -1.990 5.907 -8.200 1.00 0.00 O ATOM 416 CB CYS B 7 -2.542 8.228 -6.190 1.00 0.00 C ATOM 417 SG CYS B 7 -4.050 8.858 -5.387 1.00 0.00 S ATOM 0 H CYS B 7 -0.281 6.423 -6.463 1.00 0.00 H new ATOM 0 HA CYS B 7 -2.895 6.399 -5.124 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -1.684 8.787 -5.817 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -2.607 8.419 -7.261 1.00 0.00 H new ATOM 422 N GLY B 8 -3.882 5.325 -7.135 1.00 0.00 N ATOM 423 CA GLY B 8 -4.376 4.547 -8.256 1.00 0.00 C ATOM 424 C GLY B 8 -3.593 3.265 -8.463 1.00 0.00 C ATOM 425 O GLY B 8 -3.263 2.570 -7.502 1.00 0.00 O ATOM 0 H GLY B 8 -4.498 5.344 -6.322 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.426 4.305 -8.092 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -4.326 5.150 -9.163 1.00 0.00 H new ATOM 429 N SER B 9 -3.295 2.952 -9.719 1.00 0.00 N ATOM 430 CA SER B 9 -2.545 1.744 -10.051 1.00 0.00 C ATOM 431 C SER B 9 -1.180 1.743 -9.368 1.00 0.00 C ATOM 432 O SER B 9 -0.611 0.684 -9.102 1.00 0.00 O ATOM 433 CB SER B 9 -2.371 1.627 -11.566 1.00 0.00 C ATOM 434 OG SER B 9 -3.432 0.885 -12.144 1.00 0.00 O ATOM 0 H SER B 9 -3.561 3.518 -10.525 1.00 0.00 H new ATOM 0 HA SER B 9 -3.111 0.885 -9.690 1.00 0.00 H new ATOM 0 HB2 SER B 9 -2.335 2.622 -12.009 1.00 0.00 H new ATOM 0 HB3 SER B 9 -1.420 1.143 -11.790 1.00 0.00 H new ATOM 0 HG SER B 9 -3.299 0.825 -13.113 1.00 0.00 H new ATOM 440 N ASP B 10 -0.660 2.934 -9.083 1.00 0.00 N ATOM 441 CA ASP B 10 0.638 3.069 -8.427 1.00 0.00 C ATOM 442 C ASP B 10 0.713 2.192 -7.182 1.00 0.00 C ATOM 443 O ASP B 10 1.794 1.763 -6.777 1.00 0.00 O ATOM 444 CB ASP B 10 0.896 4.528 -8.053 1.00 0.00 C ATOM 445 CG ASP B 10 1.424 5.340 -9.219 1.00 0.00 C ATOM 446 OD1 ASP B 10 2.540 5.040 -9.695 1.00 0.00 O ATOM 447 OD2 ASP B 10 0.724 6.276 -9.657 1.00 0.00 O ATOM 0 H ASP B 10 -1.118 3.820 -9.296 1.00 0.00 H new ATOM 0 HA ASP B 10 1.406 2.740 -9.128 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -0.029 4.976 -7.691 1.00 0.00 H new ATOM 0 HB3 ASP B 10 1.612 4.568 -7.232 1.00 0.00 H new ATOM 452 N LEU B 11 -0.441 1.927 -6.579 1.00 0.00 N ATOM 453 CA LEU B 11 -0.500 1.098 -5.385 1.00 0.00 C ATOM 454 C LEU B 11 -0.330 -0.368 -5.733 1.00 0.00 C ATOM 455 O LEU B 11 0.689 -0.968 -5.413 1.00 0.00 O ATOM 456 CB LEU B 11 -1.816 1.311 -4.649 1.00 0.00 C ATOM 457 CG LEU B 11 -1.957 2.674 -3.980 1.00 0.00 C ATOM 458 CD1 LEU B 11 -3.412 3.089 -3.950 1.00 0.00 C ATOM 459 CD2 LEU B 11 -1.375 2.643 -2.574 1.00 0.00 C ATOM 0 H LEU B 11 -1.345 2.274 -6.898 1.00 0.00 H new ATOM 0 HA LEU B 11 0.320 1.394 -4.731 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.637 1.181 -5.354 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.922 0.536 -3.890 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.398 3.409 -4.560 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -3.503 4.064 -3.470 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -3.794 3.149 -4.969 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -3.989 2.354 -3.389 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.485 3.625 -2.113 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.905 1.900 -1.977 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.318 2.382 -2.623 1.00 0.00 H new ATOM 471 N VAL B 12 -1.331 -0.939 -6.394 1.00 0.00 N ATOM 472 CA VAL B 12 -1.287 -2.340 -6.790 1.00 0.00 C ATOM 473 C VAL B 12 0.074 -2.712 -7.352 1.00 0.00 C ATOM 474 O VAL B 12 0.619 -3.772 -7.043 1.00 0.00 O ATOM 475 CB VAL B 12 -2.354 -2.652 -7.845 1.00 0.00 C ATOM 476 CG1 VAL B 12 -3.742 -2.662 -7.226 1.00 0.00 C ATOM 477 CG2 VAL B 12 -2.275 -1.658 -8.991 1.00 0.00 C ATOM 0 H VAL B 12 -2.184 -0.451 -6.667 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.481 -2.926 -5.892 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.161 -3.648 -8.244 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.482 -2.886 -7.995 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.787 -3.423 -6.447 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.954 -1.685 -6.792 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.040 -1.894 -9.731 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.438 -0.650 -8.610 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -1.291 -1.716 -9.455 1.00 0.00 H new ATOM 487 N GLU B 13 0.622 -1.830 -8.174 1.00 0.00 N ATOM 488 CA GLU B 13 1.923 -2.063 -8.771 1.00 0.00 C ATOM 489 C GLU B 13 2.988 -2.157 -7.692 1.00 0.00 C ATOM 490 O GLU B 13 3.799 -3.082 -7.683 1.00 0.00 O ATOM 491 CB GLU B 13 2.265 -0.945 -9.756 1.00 0.00 C ATOM 492 CG GLU B 13 1.645 -1.135 -11.131 1.00 0.00 C ATOM 493 CD GLU B 13 2.683 -1.262 -12.229 1.00 0.00 C ATOM 494 OE1 GLU B 13 3.782 -0.689 -12.077 1.00 0.00 O ATOM 495 OE2 GLU B 13 2.397 -1.937 -13.241 1.00 0.00 O ATOM 0 H GLU B 13 0.185 -0.948 -8.441 1.00 0.00 H new ATOM 0 HA GLU B 13 1.891 -3.007 -9.314 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.929 0.007 -9.344 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.348 -0.883 -9.860 1.00 0.00 H new ATOM 0 HG2 GLU B 13 1.020 -2.028 -11.123 1.00 0.00 H new ATOM 0 HG3 GLU B 13 0.992 -0.290 -11.350 1.00 0.00 H new ATOM 502 N ALA B 14 2.965 -1.206 -6.770 1.00 0.00 N ATOM 503 CA ALA B 14 3.925 -1.199 -5.674 1.00 0.00 C ATOM 504 C ALA B 14 3.523 -2.207 -4.606 1.00 0.00 C ATOM 505 O ALA B 14 4.339 -2.613 -3.782 1.00 0.00 O ATOM 506 CB ALA B 14 4.036 0.195 -5.077 1.00 0.00 C ATOM 0 H ALA B 14 2.298 -0.434 -6.757 1.00 0.00 H new ATOM 0 HA ALA B 14 4.901 -1.486 -6.066 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.757 0.184 -4.259 1.00 0.00 H new ATOM 0 HB2 ALA B 14 4.368 0.894 -5.844 1.00 0.00 H new ATOM 0 HB3 ALA B 14 3.063 0.507 -4.699 1.00 0.00 H new ATOM 512 N LEU B 15 2.253 -2.595 -4.634 1.00 0.00 N ATOM 513 CA LEU B 15 1.696 -3.544 -3.682 1.00 0.00 C ATOM 514 C LEU B 15 2.092 -4.976 -4.027 1.00 0.00 C ATOM 515 O LEU B 15 2.909 -5.581 -3.345 1.00 0.00 O ATOM 516 CB LEU B 15 0.171 -3.412 -3.681 1.00 0.00 C ATOM 517 CG LEU B 15 -0.480 -2.721 -2.473 1.00 0.00 C ATOM 518 CD1 LEU B 15 -1.937 -3.097 -2.414 1.00 0.00 C ATOM 519 CD2 LEU B 15 0.173 -3.092 -1.152 1.00 0.00 C ATOM 0 H LEU B 15 1.579 -2.258 -5.321 1.00 0.00 H new ATOM 0 HA LEU B 15 2.094 -3.319 -2.693 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.120 -2.866 -4.578 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.253 -4.412 -3.765 1.00 0.00 H new ATOM 0 HG LEU B 15 -0.350 -1.648 -2.612 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.404 -2.609 -1.558 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -2.433 -2.776 -3.330 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -2.030 -4.178 -2.311 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.332 -2.572 -0.338 1.00 0.00 H new ATOM 0 HD22 LEU B 15 0.096 -4.168 -0.998 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.224 -2.802 -1.171 1.00 0.00 H new ATOM 531 N TYR B 16 1.512 -5.538 -5.078 1.00 0.00 N ATOM 532 CA TYR B 16 1.840 -6.905 -5.437 1.00 0.00 C ATOM 533 C TYR B 16 3.341 -7.107 -5.567 1.00 0.00 C ATOM 534 O TYR B 16 3.826 -8.238 -5.495 1.00 0.00 O ATOM 535 CB TYR B 16 1.112 -7.348 -6.707 1.00 0.00 C ATOM 536 CG TYR B 16 1.296 -6.469 -7.922 1.00 0.00 C ATOM 537 CD1 TYR B 16 2.557 -6.168 -8.421 1.00 0.00 C ATOM 538 CD2 TYR B 16 0.190 -5.972 -8.594 1.00 0.00 C ATOM 539 CE1 TYR B 16 2.704 -5.395 -9.558 1.00 0.00 C ATOM 540 CE2 TYR B 16 0.328 -5.195 -9.725 1.00 0.00 C ATOM 541 CZ TYR B 16 1.587 -4.912 -10.205 1.00 0.00 C ATOM 542 OH TYR B 16 1.731 -4.143 -11.337 1.00 0.00 O ATOM 0 H TYR B 16 0.829 -5.081 -5.682 1.00 0.00 H new ATOM 0 HA TYR B 16 1.492 -7.539 -4.621 1.00 0.00 H new ATOM 0 HB2 TYR B 16 1.445 -8.355 -6.959 1.00 0.00 H new ATOM 0 HB3 TYR B 16 0.046 -7.410 -6.487 1.00 0.00 H new ATOM 0 HD1 TYR B 16 3.434 -6.543 -7.914 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -0.799 -6.198 -8.224 1.00 0.00 H new ATOM 0 HE1 TYR B 16 3.690 -5.171 -9.937 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -0.546 -4.811 -10.231 1.00 0.00 H new ATOM 0 HH TYR B 16 0.871 -4.084 -11.804 1.00 0.00 H new ATOM 552 N LEU B 17 4.084 -6.019 -5.736 1.00 0.00 N ATOM 553 CA LEU B 17 5.525 -6.124 -5.846 1.00 0.00 C ATOM 554 C LEU B 17 6.175 -6.141 -4.464 1.00 0.00 C ATOM 555 O LEU B 17 7.277 -6.665 -4.298 1.00 0.00 O ATOM 556 CB LEU B 17 6.084 -4.981 -6.687 1.00 0.00 C ATOM 557 CG LEU B 17 6.832 -5.432 -7.938 1.00 0.00 C ATOM 558 CD1 LEU B 17 5.947 -6.329 -8.794 1.00 0.00 C ATOM 559 CD2 LEU B 17 7.312 -4.230 -8.736 1.00 0.00 C ATOM 0 H LEU B 17 3.715 -5.070 -5.798 1.00 0.00 H new ATOM 0 HA LEU B 17 5.760 -7.065 -6.344 1.00 0.00 H new ATOM 0 HB2 LEU B 17 5.263 -4.328 -6.984 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.757 -4.386 -6.070 1.00 0.00 H new ATOM 0 HG LEU B 17 7.705 -6.007 -7.630 1.00 0.00 H new ATOM 0 HD11 LEU B 17 6.496 -6.641 -9.682 1.00 0.00 H new ATOM 0 HD12 LEU B 17 5.656 -7.208 -8.219 1.00 0.00 H new ATOM 0 HD13 LEU B 17 5.054 -5.780 -9.094 1.00 0.00 H new ATOM 0 HD21 LEU B 17 7.843 -4.572 -9.624 1.00 0.00 H new ATOM 0 HD22 LEU B 17 6.455 -3.626 -9.035 1.00 0.00 H new ATOM 0 HD23 LEU B 17 7.982 -3.629 -8.121 1.00 0.00 H new ATOM 571 N VAL B 18 5.491 -5.571 -3.472 1.00 0.00 N ATOM 572 CA VAL B 18 6.026 -5.539 -2.112 1.00 0.00 C ATOM 573 C VAL B 18 5.820 -6.869 -1.390 1.00 0.00 C ATOM 574 O VAL B 18 6.769 -7.407 -0.820 1.00 0.00 O ATOM 575 CB VAL B 18 5.450 -4.386 -1.248 1.00 0.00 C ATOM 576 CG1 VAL B 18 6.200 -3.093 -1.517 1.00 0.00 C ATOM 577 CG2 VAL B 18 3.972 -4.200 -1.471 1.00 0.00 C ATOM 0 H VAL B 18 4.578 -5.131 -3.582 1.00 0.00 H new ATOM 0 HA VAL B 18 7.094 -5.356 -2.233 1.00 0.00 H new ATOM 0 HB VAL B 18 5.588 -4.661 -0.202 1.00 0.00 H new ATOM 0 HG11 VAL B 18 5.782 -2.296 -0.902 1.00 0.00 H new ATOM 0 HG12 VAL B 18 7.254 -3.226 -1.272 1.00 0.00 H new ATOM 0 HG13 VAL B 18 6.103 -2.828 -2.570 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.610 -3.383 -0.847 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.789 -3.964 -2.519 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.446 -5.118 -1.208 1.00 0.00 H new ATOM 587 N CYS B 19 4.598 -7.417 -1.404 1.00 0.00 N ATOM 588 CA CYS B 19 4.372 -8.698 -0.722 1.00 0.00 C ATOM 589 C CYS B 19 4.581 -9.891 -1.667 1.00 0.00 C ATOM 590 O CYS B 19 5.193 -10.887 -1.282 1.00 0.00 O ATOM 591 CB CYS B 19 3.005 -8.760 -0.012 1.00 0.00 C ATOM 592 SG CYS B 19 3.127 -9.297 1.730 1.00 0.00 S ATOM 0 H CYS B 19 3.780 -7.013 -1.860 1.00 0.00 H new ATOM 0 HA CYS B 19 5.127 -8.768 0.061 1.00 0.00 H new ATOM 0 HB2 CYS B 19 2.537 -7.776 -0.051 1.00 0.00 H new ATOM 0 HB3 CYS B 19 2.352 -9.445 -0.553 1.00 0.00 H new ATOM 597 N GLY B 20 4.096 -9.784 -2.906 1.00 0.00 N ATOM 598 CA GLY B 20 4.276 -10.866 -3.871 1.00 0.00 C ATOM 599 C GLY B 20 2.969 -11.405 -4.437 1.00 0.00 C ATOM 600 O GLY B 20 2.105 -10.636 -4.858 1.00 0.00 O ATOM 0 H GLY B 20 3.585 -8.975 -3.258 1.00 0.00 H new ATOM 0 HA2 GLY B 20 4.897 -10.509 -4.692 1.00 0.00 H new ATOM 0 HA3 GLY B 20 4.818 -11.682 -3.392 1.00 0.00 H new ATOM 604 N GLU B 21 2.826 -12.736 -4.443 1.00 0.00 N ATOM 605 CA GLU B 21 1.610 -13.384 -4.949 1.00 0.00 C ATOM 606 C GLU B 21 0.438 -13.102 -4.009 1.00 0.00 C ATOM 607 O GLU B 21 -0.727 -13.259 -4.373 1.00 0.00 O ATOM 608 CB GLU B 21 1.826 -14.893 -5.082 1.00 0.00 C ATOM 609 CG GLU B 21 3.126 -15.263 -5.778 1.00 0.00 C ATOM 610 CD GLU B 21 3.269 -16.757 -5.988 1.00 0.00 C ATOM 611 OE1 GLU B 21 2.258 -17.409 -6.323 1.00 0.00 O ATOM 612 OE2 GLU B 21 4.393 -17.275 -5.818 1.00 0.00 O ATOM 0 H GLU B 21 3.536 -13.384 -4.104 1.00 0.00 H new ATOM 0 HA GLU B 21 1.381 -12.977 -5.934 1.00 0.00 H new ATOM 0 HB2 GLU B 21 1.815 -15.342 -4.089 1.00 0.00 H new ATOM 0 HB3 GLU B 21 0.992 -15.324 -5.636 1.00 0.00 H new ATOM 0 HG2 GLU B 21 3.174 -14.758 -6.743 1.00 0.00 H new ATOM 0 HG3 GLU B 21 3.967 -14.901 -5.186 1.00 0.00 H new ATOM 619 N ARG B 22 0.790 -12.646 -2.811 1.00 0.00 N ATOM 620 CA ARG B 22 -0.139 -12.263 -1.752 1.00 0.00 C ATOM 621 C ARG B 22 -1.604 -12.207 -2.180 1.00 0.00 C ATOM 622 O ARG B 22 -2.419 -13.038 -1.782 1.00 0.00 O ATOM 623 CB ARG B 22 0.283 -10.881 -1.275 1.00 0.00 C ATOM 624 CG ARG B 22 1.002 -10.109 -2.370 1.00 0.00 C ATOM 625 CD ARG B 22 0.464 -8.714 -2.534 1.00 0.00 C ATOM 626 NE ARG B 22 1.404 -7.730 -2.026 1.00 0.00 N ATOM 627 CZ ARG B 22 1.055 -6.507 -1.690 1.00 0.00 C ATOM 628 NH1 ARG B 22 -0.029 -5.985 -2.215 1.00 0.00 N ATOM 629 NH2 ARG B 22 1.848 -5.769 -0.930 1.00 0.00 N ATOM 0 H ARG B 22 1.766 -12.529 -2.540 1.00 0.00 H new ATOM 0 HA ARG B 22 -0.088 -13.027 -0.977 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -0.595 -10.323 -0.952 1.00 0.00 H new ATOM 0 HB3 ARG B 22 0.936 -10.978 -0.408 1.00 0.00 H new ATOM 0 HG2 ARG B 22 2.066 -10.061 -2.138 1.00 0.00 H new ATOM 0 HG3 ARG B 22 0.905 -10.646 -3.313 1.00 0.00 H new ATOM 0 HD2 ARG B 22 0.263 -8.520 -3.587 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -0.485 -8.622 -2.006 1.00 0.00 H new ATOM 0 HE ARG B 22 2.382 -8.000 -1.925 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -0.588 -6.527 -2.874 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -0.312 -5.038 -1.964 1.00 0.00 H new ATOM 0 HH21 ARG B 22 2.736 -6.148 -0.601 1.00 0.00 H new ATOM 0 HH22 ARG B 22 1.571 -4.821 -0.673 1.00 0.00 H new ATOM 643 N GLY B 23 -1.925 -11.175 -2.945 1.00 0.00 N ATOM 644 CA GLY B 23 -3.291 -10.944 -3.376 1.00 0.00 C ATOM 645 C GLY B 23 -3.800 -9.629 -2.807 1.00 0.00 C ATOM 646 O GLY B 23 -4.709 -9.006 -3.355 1.00 0.00 O ATOM 0 H GLY B 23 -1.254 -10.483 -3.280 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -3.339 -10.921 -4.465 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -3.929 -11.764 -3.046 1.00 0.00 H new ATOM 650 N PHE B 24 -3.163 -9.207 -1.708 1.00 0.00 N ATOM 651 CA PHE B 24 -3.469 -7.953 -1.016 1.00 0.00 C ATOM 652 C PHE B 24 -4.950 -7.594 -1.036 1.00 0.00 C ATOM 653 O PHE B 24 -5.805 -8.446 -1.279 1.00 0.00 O ATOM 654 CB PHE B 24 -2.617 -6.822 -1.585 1.00 0.00 C ATOM 655 CG PHE B 24 -2.729 -6.633 -3.072 1.00 0.00 C ATOM 656 CD1 PHE B 24 -2.223 -7.576 -3.956 1.00 0.00 C ATOM 657 CD2 PHE B 24 -3.325 -5.497 -3.580 1.00 0.00 C ATOM 658 CE1 PHE B 24 -2.319 -7.384 -5.322 1.00 0.00 C ATOM 659 CE2 PHE B 24 -3.425 -5.297 -4.944 1.00 0.00 C ATOM 660 CZ PHE B 24 -2.922 -6.243 -5.816 1.00 0.00 C ATOM 0 H PHE B 24 -2.410 -9.736 -1.269 1.00 0.00 H new ATOM 0 HA PHE B 24 -3.219 -8.100 0.035 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -2.899 -5.891 -1.093 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.573 -7.012 -1.335 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -1.750 -8.468 -3.573 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -3.719 -4.754 -2.903 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -1.923 -8.124 -6.002 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -3.895 -4.403 -5.327 1.00 0.00 H new ATOM 0 HZ PHE B 24 -3.000 -6.091 -6.882 1.00 0.00 H new ATOM 670 N PHE B 25 -5.251 -6.330 -0.740 1.00 0.00 N ATOM 671 CA PHE B 25 -6.633 -5.876 -0.690 1.00 0.00 C ATOM 672 C PHE B 25 -6.758 -4.409 -1.088 1.00 0.00 C ATOM 673 O PHE B 25 -7.209 -3.578 -0.299 1.00 0.00 O ATOM 674 CB PHE B 25 -7.190 -6.086 0.720 1.00 0.00 C ATOM 675 CG PHE B 25 -8.688 -6.055 0.788 1.00 0.00 C ATOM 676 CD1 PHE B 25 -9.449 -6.744 -0.141 1.00 0.00 C ATOM 677 CD2 PHE B 25 -9.333 -5.338 1.781 1.00 0.00 C ATOM 678 CE1 PHE B 25 -10.829 -6.718 -0.081 1.00 0.00 C ATOM 679 CE2 PHE B 25 -10.713 -5.309 1.848 1.00 0.00 C ATOM 680 CZ PHE B 25 -11.462 -5.999 0.915 1.00 0.00 C ATOM 0 H PHE B 25 -4.559 -5.610 -0.533 1.00 0.00 H new ATOM 0 HA PHE B 25 -7.209 -6.462 -1.406 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -6.838 -7.045 1.101 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -6.789 -5.315 1.378 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -8.959 -7.308 -0.921 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -8.751 -4.795 2.511 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -11.412 -7.259 -0.812 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -11.205 -4.748 2.629 1.00 0.00 H new ATOM 0 HZ PHE B 25 -12.541 -5.977 0.964 1.00 0.00 H new ATOM 690 N TYR B 26 -6.365 -4.098 -2.317 1.00 0.00 N ATOM 691 CA TYR B 26 -6.445 -2.732 -2.819 1.00 0.00 C ATOM 692 C TYR B 26 -7.903 -2.314 -3.002 1.00 0.00 C ATOM 693 O TYR B 26 -8.379 -2.155 -4.127 1.00 0.00 O ATOM 694 CB TYR B 26 -5.690 -2.608 -4.147 1.00 0.00 C ATOM 695 CG TYR B 26 -5.885 -1.275 -4.837 1.00 0.00 C ATOM 696 CD1 TYR B 26 -5.820 -0.086 -4.123 1.00 0.00 C ATOM 697 CD2 TYR B 26 -6.137 -1.208 -6.202 1.00 0.00 C ATOM 698 CE1 TYR B 26 -6.001 1.133 -4.748 1.00 0.00 C ATOM 699 CE2 TYR B 26 -6.318 0.008 -6.834 1.00 0.00 C ATOM 700 CZ TYR B 26 -6.250 1.174 -6.103 1.00 0.00 C ATOM 701 OH TYR B 26 -6.430 2.386 -6.728 1.00 0.00 O ATOM 0 H TYR B 26 -5.988 -4.772 -2.984 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.982 -2.069 -2.088 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -4.626 -2.761 -3.965 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -6.017 -3.404 -4.816 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -5.625 -0.114 -3.061 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -6.192 -2.120 -6.778 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -5.948 2.049 -4.178 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -6.512 0.044 -7.896 1.00 0.00 H new ATOM 0 HH TYR B 26 -6.595 2.240 -7.683 1.00 0.00 H new ATOM 711 N THR B 27 -8.609 -2.138 -1.889 1.00 0.00 N ATOM 712 CA THR B 27 -10.013 -1.741 -1.928 1.00 0.00 C ATOM 713 C THR B 27 -10.268 -0.541 -1.021 1.00 0.00 C ATOM 714 O THR B 27 -9.676 -0.422 0.050 1.00 0.00 O ATOM 715 CB THR B 27 -10.906 -2.908 -1.506 1.00 0.00 C ATOM 716 OG1 THR B 27 -10.624 -3.299 -0.173 1.00 0.00 O ATOM 717 CG2 THR B 27 -10.750 -4.131 -2.383 1.00 0.00 C ATOM 0 H THR B 27 -8.232 -2.264 -0.949 1.00 0.00 H new ATOM 0 HA THR B 27 -10.254 -1.457 -2.952 1.00 0.00 H new ATOM 0 HB THR B 27 -11.927 -2.538 -1.604 1.00 0.00 H new ATOM 0 HG1 THR B 27 -10.812 -4.255 -0.066 1.00 0.00 H new ATOM 0 HG21 THR B 27 -11.412 -4.921 -2.027 1.00 0.00 H new ATOM 0 HG22 THR B 27 -11.008 -3.877 -3.411 1.00 0.00 H new ATOM 0 HG23 THR B 27 -9.717 -4.478 -2.343 1.00 0.00 H new ATOM 725 N LYS B 28 -11.157 0.346 -1.460 1.00 0.00 N ATOM 726 CA LYS B 28 -11.491 1.538 -0.684 1.00 0.00 C ATOM 727 C LYS B 28 -13.005 1.768 -0.623 1.00 0.00 C ATOM 728 O LYS B 28 -13.575 1.844 0.466 1.00 0.00 O ATOM 729 CB LYS B 28 -10.795 2.783 -1.250 1.00 0.00 C ATOM 730 CG LYS B 28 -9.474 2.495 -1.949 1.00 0.00 C ATOM 731 CD LYS B 28 -9.636 2.459 -3.461 1.00 0.00 C ATOM 732 CE LYS B 28 -9.904 1.049 -3.959 1.00 0.00 C ATOM 733 NZ LYS B 28 -9.243 0.787 -5.268 1.00 0.00 N ATOM 0 H LYS B 28 -11.657 0.263 -2.345 1.00 0.00 H new ATOM 0 HA LYS B 28 -11.131 1.366 0.330 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -11.467 3.272 -1.955 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -10.617 3.487 -0.437 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -8.745 3.259 -1.679 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -9.079 1.540 -1.602 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -10.457 3.112 -3.756 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -8.734 2.848 -3.934 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -9.547 0.330 -3.222 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -10.979 0.897 -4.058 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -9.422 -0.196 -5.557 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -9.626 1.434 -5.986 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -8.218 0.940 -5.176 1.00 0.00 H new ATOM 747 N PRO B 29 -13.686 1.889 -1.781 1.00 0.00 N ATOM 748 CA PRO B 29 -15.126 2.117 -1.819 1.00 0.00 C ATOM 749 C PRO B 29 -15.923 0.816 -1.817 1.00 0.00 C ATOM 750 O PRO B 29 -15.361 -0.269 -1.961 1.00 0.00 O ATOM 751 CB PRO B 29 -15.307 2.857 -3.138 1.00 0.00 C ATOM 752 CG PRO B 29 -14.241 2.312 -4.032 1.00 0.00 C ATOM 753 CD PRO B 29 -13.120 1.823 -3.143 1.00 0.00 C ATOM 0 HA PRO B 29 -15.486 2.662 -0.946 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -16.299 2.685 -3.555 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -15.200 3.934 -3.005 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -14.630 1.498 -4.643 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -13.882 3.081 -4.716 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -12.820 0.807 -3.401 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -12.234 2.451 -3.237 1.00 0.00 H new ATOM 761 N THR B 30 -17.237 0.936 -1.650 1.00 0.00 N ATOM 762 CA THR B 30 -18.114 -0.229 -1.629 1.00 0.00 C ATOM 763 C THR B 30 -19.576 0.192 -1.517 1.00 0.00 C ATOM 764 O THR B 30 -20.324 -0.008 -2.496 1.00 0.00 O ATOM 765 CB THR B 30 -17.743 -1.150 -0.465 1.00 0.00 C ATOM 766 OG1 THR B 30 -17.073 -0.427 0.552 1.00 0.00 O ATOM 767 CG2 THR B 30 -16.850 -2.301 -0.874 1.00 0.00 C ATOM 768 OXT THR B 30 -19.959 0.716 -0.450 1.00 0.00 O ATOM 0 H THR B 30 -17.717 1.828 -1.527 1.00 0.00 H new ATOM 0 HA THR B 30 -17.983 -0.770 -2.566 1.00 0.00 H new ATOM 0 HB THR B 30 -18.688 -1.555 -0.104 1.00 0.00 H new ATOM 0 HG1 THR B 30 -16.845 -1.033 1.288 1.00 0.00 H new ATOM 0 HG21 THR B 30 -16.625 -2.915 -0.002 1.00 0.00 H new ATOM 0 HG22 THR B 30 -17.359 -2.908 -1.623 1.00 0.00 H new ATOM 0 HG23 THR B 30 -15.922 -1.911 -1.292 1.00 0.00 H new TER 776 THR B 30