USER MOD reduce.3.24.130724 H: found=0, std=0, add=370, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 372 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= -1.37! C(o=-1.4!,f=-2.3!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0941 USER MOD Single : A 12 SER OG : rot 180:sc=-0.00485 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.281 K(o=-0.28,f=-1.6!) USER MOD Single : A 18 ASN : amide:sc= -1.66 K(o=-1.7,f=-2.5!) USER MOD Single : A 19 TYR OH : rot -151:sc= 1.3 USER MOD Single : A 21 ASN : amide:sc= -0.211 X(o=-0.21,f=-0.21) USER MOD Single : B 24 ASN : amide:sc= -3.43! C(o=-3.4!,f=-3.5!) USER MOD Single : B 25 GLN : amide:sc= 0.049 K(o=0.049,f=-8.9!) USER MOD Single : B 26 HIS : no HD1:sc= -30! C(o=-30!,f=-40!) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 47 TYR OH : rot 166:sc= -1.65! USER MOD Single : B 48 THR OG1 : rot 180:sc= 0 USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 THR OG1 : rot -83:sc= 0.0686 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.684 8.316 7.375 1.00 0.00 N ATOM 2 CA GLY A 1 -7.180 7.120 6.569 1.00 0.00 C ATOM 3 C GLY A 1 -5.720 6.983 6.293 1.00 0.00 C ATOM 4 O GLY A 1 -4.889 7.454 7.044 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.718 8.257 7.474 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.245 8.309 8.318 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.433 9.197 6.883 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.500 6.217 7.089 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.694 7.134 5.608 1.00 0.00 H new ATOM 10 N ILE A 2 -5.371 6.340 5.211 1.00 0.00 N ATOM 11 CA ILE A 2 -3.930 6.171 4.870 1.00 0.00 C ATOM 12 C ILE A 2 -3.553 7.182 3.784 1.00 0.00 C ATOM 13 O ILE A 2 -2.393 7.453 3.544 1.00 0.00 O ATOM 14 CB ILE A 2 -3.696 4.753 4.344 1.00 0.00 C ATOM 15 CG1 ILE A 2 -3.729 3.761 5.509 1.00 0.00 C ATOM 16 CG2 ILE A 2 -2.332 4.682 3.658 1.00 0.00 C ATOM 17 CD1 ILE A 2 -3.740 2.335 4.958 1.00 0.00 C ATOM 0 H ILE A 2 -6.024 5.924 4.547 1.00 0.00 H new ATOM 0 HA ILE A 2 -3.319 6.335 5.757 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.479 4.500 3.629 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.861 3.908 6.152 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -4.613 3.933 6.123 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.165 3.672 3.283 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -2.306 5.386 2.827 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -1.551 4.937 4.374 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -3.763 1.626 5.785 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -4.622 2.193 4.333 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.843 2.168 4.362 1.00 0.00 H new ATOM 29 N VAL A 3 -4.531 7.726 3.117 1.00 0.00 N ATOM 30 CA VAL A 3 -4.253 8.708 2.030 1.00 0.00 C ATOM 31 C VAL A 3 -3.541 9.946 2.593 1.00 0.00 C ATOM 32 O VAL A 3 -3.060 10.781 1.852 1.00 0.00 O ATOM 33 CB VAL A 3 -5.577 9.141 1.393 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.442 7.910 1.119 1.00 0.00 C ATOM 35 CG2 VAL A 3 -6.322 10.080 2.347 1.00 0.00 C ATOM 0 H VAL A 3 -5.519 7.532 3.279 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.611 8.237 1.286 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.372 9.659 0.456 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.383 8.220 0.666 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.916 7.240 0.439 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.644 7.391 2.056 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.264 10.388 1.893 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.523 9.561 3.284 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.710 10.960 2.543 1.00 0.00 H new ATOM 45 N GLU A 4 -3.487 10.086 3.889 1.00 0.00 N ATOM 46 CA GLU A 4 -2.828 11.288 4.482 1.00 0.00 C ATOM 47 C GLU A 4 -1.428 10.934 4.989 1.00 0.00 C ATOM 48 O GLU A 4 -0.690 11.790 5.437 1.00 0.00 O ATOM 49 CB GLU A 4 -3.673 11.800 5.652 1.00 0.00 C ATOM 50 CG GLU A 4 -5.154 11.549 5.359 1.00 0.00 C ATOM 51 CD GLU A 4 -6.011 12.164 6.468 1.00 0.00 C ATOM 52 OE1 GLU A 4 -5.826 11.786 7.613 1.00 0.00 O ATOM 53 OE2 GLU A 4 -6.839 13.003 6.152 1.00 0.00 O ATOM 0 H GLU A 4 -3.869 9.423 4.563 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.742 12.058 3.716 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.383 11.295 6.573 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.497 12.865 5.804 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.423 11.983 4.396 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.345 10.478 5.291 1.00 0.00 H new ATOM 60 N GLN A 5 -1.055 9.687 4.936 1.00 0.00 N ATOM 61 CA GLN A 5 0.294 9.298 5.433 1.00 0.00 C ATOM 62 C GLN A 5 1.229 9.009 4.257 1.00 0.00 C ATOM 63 O GLN A 5 2.386 9.384 4.266 1.00 0.00 O ATOM 64 CB GLN A 5 0.169 8.043 6.297 1.00 0.00 C ATOM 65 CG GLN A 5 0.046 8.442 7.769 1.00 0.00 C ATOM 66 CD GLN A 5 1.232 9.323 8.164 1.00 0.00 C ATOM 67 OE1 GLN A 5 1.179 10.530 8.031 1.00 0.00 O ATOM 68 NE2 GLN A 5 2.308 8.767 8.648 1.00 0.00 N ATOM 0 H GLN A 5 -1.623 8.922 4.572 1.00 0.00 H new ATOM 0 HA GLN A 5 0.706 10.118 6.021 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.704 7.465 5.992 1.00 0.00 H new ATOM 0 HB3 GLN A 5 1.040 7.403 6.155 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.889 8.978 7.934 1.00 0.00 H new ATOM 0 HG3 GLN A 5 0.017 7.551 8.396 1.00 0.00 H new ATOM 0 HE21 GLN A 5 2.353 7.754 8.760 1.00 0.00 H new ATOM 0 HE22 GLN A 5 3.105 9.345 8.915 1.00 0.00 H new ATOM 77 N CYS A 6 0.748 8.328 3.255 1.00 0.00 N ATOM 78 CA CYS A 6 1.622 7.996 2.096 1.00 0.00 C ATOM 79 C CYS A 6 1.274 8.865 0.882 1.00 0.00 C ATOM 80 O CYS A 6 2.119 9.541 0.342 1.00 0.00 O ATOM 81 CB CYS A 6 1.432 6.523 1.736 1.00 0.00 C ATOM 82 SG CYS A 6 2.378 5.504 2.893 1.00 0.00 S ATOM 0 H CYS A 6 -0.211 7.987 3.188 1.00 0.00 H new ATOM 0 HA CYS A 6 2.659 8.188 2.371 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.375 6.259 1.779 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.765 6.340 0.714 1.00 0.00 H new ATOM 87 N CYS A 7 0.047 8.820 0.426 1.00 0.00 N ATOM 88 CA CYS A 7 -0.351 9.614 -0.785 1.00 0.00 C ATOM 89 C CYS A 7 0.351 10.982 -0.815 1.00 0.00 C ATOM 90 O CYS A 7 0.560 11.548 -1.870 1.00 0.00 O ATOM 91 CB CYS A 7 -1.868 9.812 -0.787 1.00 0.00 C ATOM 92 SG CYS A 7 -2.636 8.652 -1.942 1.00 0.00 S ATOM 0 H CYS A 7 -0.702 8.266 0.840 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.046 9.060 -1.673 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.265 9.657 0.216 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.110 10.836 -1.071 1.00 0.00 H new ATOM 97 N THR A 8 0.721 11.523 0.317 1.00 0.00 N ATOM 98 CA THR A 8 1.410 12.852 0.309 1.00 0.00 C ATOM 99 C THR A 8 2.804 12.697 -0.309 1.00 0.00 C ATOM 100 O THR A 8 3.408 13.649 -0.762 1.00 0.00 O ATOM 101 CB THR A 8 1.543 13.376 1.741 1.00 0.00 C ATOM 102 OG1 THR A 8 2.338 14.554 1.738 1.00 0.00 O ATOM 103 CG2 THR A 8 2.206 12.314 2.618 1.00 0.00 C ATOM 0 H THR A 8 0.579 11.109 1.238 1.00 0.00 H new ATOM 0 HA THR A 8 0.824 13.559 -0.279 1.00 0.00 H new ATOM 0 HB THR A 8 0.554 13.603 2.138 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.424 14.893 2.653 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.299 12.690 3.637 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.596 11.410 2.619 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.196 12.083 2.224 1.00 0.00 H new ATOM 111 N SER A 9 3.308 11.497 -0.333 1.00 0.00 N ATOM 112 CA SER A 9 4.652 11.241 -0.922 1.00 0.00 C ATOM 113 C SER A 9 4.730 9.762 -1.301 1.00 0.00 C ATOM 114 O SER A 9 3.741 9.062 -1.262 1.00 0.00 O ATOM 115 CB SER A 9 5.736 11.568 0.105 1.00 0.00 C ATOM 116 OG SER A 9 7.002 11.574 -0.538 1.00 0.00 O ATOM 0 H SER A 9 2.839 10.670 0.036 1.00 0.00 H new ATOM 0 HA SER A 9 4.805 11.866 -1.802 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.541 12.539 0.560 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.726 10.832 0.909 1.00 0.00 H new ATOM 0 HG SER A 9 7.700 11.785 0.116 1.00 0.00 H new ATOM 122 N ILE A 10 5.883 9.268 -1.667 1.00 0.00 N ATOM 123 CA ILE A 10 5.963 7.825 -2.038 1.00 0.00 C ATOM 124 C ILE A 10 6.592 7.017 -0.910 1.00 0.00 C ATOM 125 O ILE A 10 7.796 6.889 -0.812 1.00 0.00 O ATOM 126 CB ILE A 10 6.773 7.641 -3.325 1.00 0.00 C ATOM 127 CG1 ILE A 10 6.984 6.151 -3.609 1.00 0.00 C ATOM 128 CG2 ILE A 10 8.134 8.291 -3.164 1.00 0.00 C ATOM 129 CD1 ILE A 10 5.694 5.378 -3.349 1.00 0.00 C ATOM 0 H ILE A 10 6.758 9.790 -1.725 1.00 0.00 H new ATOM 0 HA ILE A 10 4.949 7.463 -2.208 1.00 0.00 H new ATOM 0 HB ILE A 10 6.225 8.100 -4.148 1.00 0.00 H new ATOM 0 HG12 ILE A 10 7.298 6.011 -4.643 1.00 0.00 H new ATOM 0 HG13 ILE A 10 7.783 5.762 -2.978 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.710 8.160 -4.080 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.008 9.355 -2.964 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.663 7.826 -2.333 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.856 4.320 -3.554 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.398 5.504 -2.308 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.905 5.757 -3.999 1.00 0.00 H new ATOM 141 N CYS A 11 5.773 6.449 -0.069 1.00 0.00 N ATOM 142 CA CYS A 11 6.304 5.621 1.042 1.00 0.00 C ATOM 143 C CYS A 11 7.194 4.534 0.440 1.00 0.00 C ATOM 144 O CYS A 11 7.207 4.331 -0.757 1.00 0.00 O ATOM 145 CB CYS A 11 5.137 4.974 1.793 1.00 0.00 C ATOM 146 SG CYS A 11 4.260 6.227 2.758 1.00 0.00 S ATOM 0 H CYS A 11 4.756 6.525 -0.106 1.00 0.00 H new ATOM 0 HA CYS A 11 6.877 6.235 1.737 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.454 4.503 1.086 1.00 0.00 H new ATOM 0 HB3 CYS A 11 5.507 4.188 2.451 1.00 0.00 H new ATOM 151 N SER A 12 7.939 3.833 1.245 1.00 0.00 N ATOM 152 CA SER A 12 8.819 2.768 0.686 1.00 0.00 C ATOM 153 C SER A 12 8.037 1.452 0.604 1.00 0.00 C ATOM 154 O SER A 12 7.228 1.148 1.457 1.00 0.00 O ATOM 155 CB SER A 12 10.034 2.580 1.594 1.00 0.00 C ATOM 156 OG SER A 12 9.695 1.697 2.656 1.00 0.00 O ATOM 0 H SER A 12 7.978 3.948 2.258 1.00 0.00 H new ATOM 0 HA SER A 12 9.152 3.058 -0.311 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.870 2.176 1.023 1.00 0.00 H new ATOM 0 HB3 SER A 12 10.356 3.542 1.994 1.00 0.00 H new ATOM 0 HG SER A 12 10.473 1.573 3.239 1.00 0.00 H new ATOM 162 N LEU A 13 8.272 0.668 -0.414 1.00 0.00 N ATOM 163 CA LEU A 13 7.538 -0.624 -0.543 1.00 0.00 C ATOM 164 C LEU A 13 7.619 -1.397 0.776 1.00 0.00 C ATOM 165 O LEU A 13 6.779 -2.225 1.070 1.00 0.00 O ATOM 166 CB LEU A 13 8.165 -1.459 -1.664 1.00 0.00 C ATOM 167 CG LEU A 13 7.655 -2.901 -1.588 1.00 0.00 C ATOM 168 CD1 LEU A 13 7.524 -3.471 -3.002 1.00 0.00 C ATOM 169 CD2 LEU A 13 8.646 -3.752 -0.789 1.00 0.00 C ATOM 0 H LEU A 13 8.939 0.866 -1.160 1.00 0.00 H new ATOM 0 HA LEU A 13 6.493 -0.423 -0.780 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.917 -1.027 -2.633 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.251 -1.443 -1.577 1.00 0.00 H new ATOM 0 HG LEU A 13 6.682 -2.916 -1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.161 -4.497 -2.948 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.820 -2.867 -3.574 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.497 -3.456 -3.492 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.283 -4.778 -0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.618 -3.736 -1.281 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.743 -3.348 0.219 1.00 0.00 H new ATOM 181 N TYR A 14 8.616 -1.135 1.573 1.00 0.00 N ATOM 182 CA TYR A 14 8.736 -1.858 2.869 1.00 0.00 C ATOM 183 C TYR A 14 7.636 -1.374 3.815 1.00 0.00 C ATOM 184 O TYR A 14 7.053 -2.145 4.552 1.00 0.00 O ATOM 185 CB TYR A 14 10.110 -1.582 3.488 1.00 0.00 C ATOM 186 CG TYR A 14 11.097 -2.693 3.051 1.00 0.00 C ATOM 187 CD1 TYR A 14 11.489 -2.822 1.694 1.00 0.00 C ATOM 188 CD2 TYR A 14 11.626 -3.606 3.994 1.00 0.00 C ATOM 189 CE1 TYR A 14 12.381 -3.830 1.307 1.00 0.00 C ATOM 190 CE2 TYR A 14 12.518 -4.608 3.590 1.00 0.00 C ATOM 191 CZ TYR A 14 12.895 -4.719 2.252 1.00 0.00 C ATOM 192 OH TYR A 14 13.776 -5.708 1.861 1.00 0.00 O ATOM 0 H TYR A 14 9.351 -0.454 1.384 1.00 0.00 H new ATOM 0 HA TYR A 14 8.630 -2.930 2.703 1.00 0.00 H new ATOM 0 HB2 TYR A 14 10.477 -0.607 3.169 1.00 0.00 H new ATOM 0 HB3 TYR A 14 10.034 -1.554 4.575 1.00 0.00 H new ATOM 0 HD1 TYR A 14 11.097 -2.139 0.955 1.00 0.00 H new ATOM 0 HD2 TYR A 14 11.340 -3.530 5.033 1.00 0.00 H new ATOM 0 HE1 TYR A 14 12.673 -3.920 0.271 1.00 0.00 H new ATOM 0 HE2 TYR A 14 12.916 -5.298 4.319 1.00 0.00 H new ATOM 0 HH TYR A 14 14.039 -6.239 2.641 1.00 0.00 H new ATOM 202 N GLN A 15 7.343 -0.102 3.798 1.00 0.00 N ATOM 203 CA GLN A 15 6.278 0.429 4.696 1.00 0.00 C ATOM 204 C GLN A 15 4.920 -0.135 4.272 1.00 0.00 C ATOM 205 O GLN A 15 4.165 -0.627 5.087 1.00 0.00 O ATOM 206 CB GLN A 15 6.249 1.955 4.612 1.00 0.00 C ATOM 207 CG GLN A 15 7.521 2.522 5.245 1.00 0.00 C ATOM 208 CD GLN A 15 7.142 3.497 6.361 1.00 0.00 C ATOM 209 OE1 GLN A 15 6.109 3.353 6.985 1.00 0.00 O ATOM 210 NE2 GLN A 15 7.940 4.491 6.640 1.00 0.00 N ATOM 0 H GLN A 15 7.794 0.592 3.202 1.00 0.00 H new ATOM 0 HA GLN A 15 6.489 0.128 5.722 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.175 2.272 3.572 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.370 2.342 5.127 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.133 1.714 5.646 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.120 3.031 4.490 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.807 4.612 6.116 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.697 5.147 7.382 1.00 0.00 H new ATOM 219 N LEU A 16 4.599 -0.080 3.005 1.00 0.00 N ATOM 220 CA LEU A 16 3.288 -0.627 2.555 1.00 0.00 C ATOM 221 C LEU A 16 3.190 -2.081 3.001 1.00 0.00 C ATOM 222 O LEU A 16 2.131 -2.565 3.349 1.00 0.00 O ATOM 223 CB LEU A 16 3.190 -0.546 1.030 1.00 0.00 C ATOM 224 CG LEU A 16 2.791 0.871 0.613 1.00 0.00 C ATOM 225 CD1 LEU A 16 4.025 1.775 0.617 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.193 0.837 -0.796 1.00 0.00 C ATOM 0 H LEU A 16 5.184 0.317 2.269 1.00 0.00 H new ATOM 0 HA LEU A 16 2.474 -0.048 2.991 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.146 -0.812 0.580 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.455 -1.263 0.665 1.00 0.00 H new ATOM 0 HG LEU A 16 2.054 1.260 1.315 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.738 2.784 0.320 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.454 1.800 1.619 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.763 1.386 -0.084 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.908 1.846 -1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.932 0.446 -1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.313 0.195 -0.802 1.00 0.00 H new ATOM 238 N GLU A 17 4.291 -2.778 3.017 1.00 0.00 N ATOM 239 CA GLU A 17 4.260 -4.189 3.466 1.00 0.00 C ATOM 240 C GLU A 17 3.828 -4.209 4.931 1.00 0.00 C ATOM 241 O GLU A 17 3.385 -5.214 5.451 1.00 0.00 O ATOM 242 CB GLU A 17 5.655 -4.797 3.321 1.00 0.00 C ATOM 243 CG GLU A 17 5.717 -5.635 2.042 1.00 0.00 C ATOM 244 CD GLU A 17 6.775 -6.728 2.199 1.00 0.00 C ATOM 245 OE1 GLU A 17 7.885 -6.400 2.583 1.00 0.00 O ATOM 246 OE2 GLU A 17 6.457 -7.875 1.931 1.00 0.00 O ATOM 0 H GLU A 17 5.208 -2.429 2.738 1.00 0.00 H new ATOM 0 HA GLU A 17 3.562 -4.770 2.864 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.406 -4.007 3.288 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.884 -5.418 4.187 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.744 -6.082 1.840 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.959 -5.000 1.190 1.00 0.00 H new ATOM 253 N ASN A 18 3.943 -3.089 5.597 1.00 0.00 N ATOM 254 CA ASN A 18 3.530 -3.022 7.024 1.00 0.00 C ATOM 255 C ASN A 18 2.003 -2.965 7.100 1.00 0.00 C ATOM 256 O ASN A 18 1.405 -3.413 8.059 1.00 0.00 O ATOM 257 CB ASN A 18 4.122 -1.767 7.673 1.00 0.00 C ATOM 258 CG ASN A 18 3.880 -1.810 9.185 1.00 0.00 C ATOM 259 OD1 ASN A 18 2.819 -2.197 9.631 1.00 0.00 O ATOM 260 ND2 ASN A 18 4.826 -1.423 9.998 1.00 0.00 N ATOM 0 H ASN A 18 4.306 -2.218 5.210 1.00 0.00 H new ATOM 0 HA ASN A 18 3.893 -3.904 7.552 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.191 -1.708 7.467 1.00 0.00 H new ATOM 0 HB3 ASN A 18 3.665 -0.874 7.246 1.00 0.00 H new ATOM 0 HD21 ASN A 18 4.673 -1.446 11.006 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.718 -1.098 9.625 1.00 0.00 H new ATOM 267 N TYR A 19 1.364 -2.419 6.097 1.00 0.00 N ATOM 268 CA TYR A 19 -0.125 -2.343 6.124 1.00 0.00 C ATOM 269 C TYR A 19 -0.712 -3.749 5.967 1.00 0.00 C ATOM 270 O TYR A 19 -1.908 -3.945 6.056 1.00 0.00 O ATOM 271 CB TYR A 19 -0.623 -1.458 4.977 1.00 0.00 C ATOM 272 CG TYR A 19 0.243 -0.162 4.923 1.00 0.00 C ATOM 273 CD1 TYR A 19 1.067 0.218 6.024 1.00 0.00 C ATOM 274 CD2 TYR A 19 0.242 0.674 3.778 1.00 0.00 C ATOM 275 CE1 TYR A 19 1.843 1.381 5.963 1.00 0.00 C ATOM 276 CE2 TYR A 19 1.026 1.833 3.738 1.00 0.00 C ATOM 277 CZ TYR A 19 1.822 2.185 4.825 1.00 0.00 C ATOM 278 OH TYR A 19 2.592 3.329 4.774 1.00 0.00 O ATOM 0 H TYR A 19 1.806 -2.025 5.267 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.442 -1.915 7.075 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.556 -1.995 4.031 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.672 -1.204 5.126 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.092 -0.397 6.912 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.370 0.414 2.927 1.00 0.00 H new ATOM 0 HE1 TYR A 19 2.462 1.657 6.804 1.00 0.00 H new ATOM 0 HE2 TYR A 19 1.013 2.459 2.858 1.00 0.00 H new ATOM 0 HH TYR A 19 2.161 3.987 4.190 1.00 0.00 H new ATOM 288 N CYS A 20 0.118 -4.730 5.731 1.00 0.00 N ATOM 289 CA CYS A 20 -0.400 -6.117 5.566 1.00 0.00 C ATOM 290 C CYS A 20 -0.581 -6.764 6.940 1.00 0.00 C ATOM 291 O CYS A 20 -0.108 -7.854 7.190 1.00 0.00 O ATOM 292 CB CYS A 20 0.592 -6.939 4.744 1.00 0.00 C ATOM 293 SG CYS A 20 1.163 -5.962 3.333 1.00 0.00 S ATOM 0 H CYS A 20 1.130 -4.630 5.646 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.360 -6.084 5.051 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.439 -7.232 5.364 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.119 -7.857 4.396 1.00 0.00 H new ATOM 298 N ASN A 21 -1.263 -6.100 7.832 1.00 0.00 N ATOM 299 CA ASN A 21 -1.476 -6.679 9.188 1.00 0.00 C ATOM 300 C ASN A 21 -2.971 -6.683 9.512 1.00 0.00 C ATOM 301 O ASN A 21 -3.757 -6.748 8.581 1.00 0.00 O ATOM 302 CB ASN A 21 -0.733 -5.838 10.227 1.00 0.00 C ATOM 303 CG ASN A 21 -0.496 -6.678 11.483 1.00 0.00 C ATOM 304 OD1 ASN A 21 -1.056 -6.402 12.526 1.00 0.00 O ATOM 305 ND2 ASN A 21 0.312 -7.701 11.428 1.00 0.00 N ATOM 306 OXT ASN A 21 -3.303 -6.621 10.684 1.00 0.00 O ATOM 0 H ASN A 21 -1.682 -5.182 7.681 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.096 -7.700 9.209 1.00 0.00 H new ATOM 0 HB2 ASN A 21 0.218 -5.495 9.821 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.313 -4.949 10.474 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.473 -8.269 12.260 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.782 -7.933 10.553 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 22 12.404 -0.673 -7.351 1.00 0.00 N ATOM 315 CA PHE B 22 11.735 -0.852 -6.032 1.00 0.00 C ATOM 316 C PHE B 22 10.641 0.189 -5.867 1.00 0.00 C ATOM 317 O PHE B 22 9.536 -0.109 -5.458 1.00 0.00 O ATOM 318 CB PHE B 22 12.763 -0.698 -4.910 1.00 0.00 C ATOM 319 CG PHE B 22 13.065 -2.054 -4.322 1.00 0.00 C ATOM 320 CD1 PHE B 22 13.878 -2.955 -5.022 1.00 0.00 C ATOM 321 CD2 PHE B 22 12.528 -2.414 -3.079 1.00 0.00 C ATOM 322 CE1 PHE B 22 14.154 -4.216 -4.479 1.00 0.00 C ATOM 323 CE2 PHE B 22 12.804 -3.674 -2.536 1.00 0.00 C ATOM 324 CZ PHE B 22 13.618 -4.576 -3.236 1.00 0.00 C ATOM 0 HA PHE B 22 11.294 -1.848 -5.985 1.00 0.00 H new ATOM 0 HB2 PHE B 22 13.676 -0.245 -5.297 1.00 0.00 H new ATOM 0 HB3 PHE B 22 12.379 -0.031 -4.138 1.00 0.00 H new ATOM 0 HD1 PHE B 22 14.292 -2.677 -5.980 1.00 0.00 H new ATOM 0 HD2 PHE B 22 11.901 -1.719 -2.540 1.00 0.00 H new ATOM 0 HE1 PHE B 22 14.780 -4.911 -5.019 1.00 0.00 H new ATOM 0 HE2 PHE B 22 12.390 -3.952 -1.578 1.00 0.00 H new ATOM 0 HZ PHE B 22 13.832 -5.548 -2.817 1.00 0.00 H new ATOM 336 N VAL B 23 10.944 1.407 -6.168 1.00 0.00 N ATOM 337 CA VAL B 23 9.929 2.478 -6.017 1.00 0.00 C ATOM 338 C VAL B 23 10.334 3.694 -6.859 1.00 0.00 C ATOM 339 O VAL B 23 11.092 3.571 -7.796 1.00 0.00 O ATOM 340 CB VAL B 23 9.838 2.834 -4.530 1.00 0.00 C ATOM 341 CG1 VAL B 23 10.955 3.807 -4.158 1.00 0.00 C ATOM 342 CG2 VAL B 23 8.472 3.450 -4.222 1.00 0.00 C ATOM 0 H VAL B 23 11.853 1.714 -6.514 1.00 0.00 H new ATOM 0 HA VAL B 23 8.952 2.145 -6.368 1.00 0.00 H new ATOM 0 HB VAL B 23 9.953 1.926 -3.938 1.00 0.00 H new ATOM 0 HG11 VAL B 23 10.884 4.055 -3.099 1.00 0.00 H new ATOM 0 HG12 VAL B 23 11.922 3.345 -4.358 1.00 0.00 H new ATOM 0 HG13 VAL B 23 10.858 4.716 -4.751 1.00 0.00 H new ATOM 0 HG21 VAL B 23 8.416 3.700 -3.163 1.00 0.00 H new ATOM 0 HG22 VAL B 23 8.338 4.354 -4.816 1.00 0.00 H new ATOM 0 HG23 VAL B 23 7.687 2.735 -4.468 1.00 0.00 H new ATOM 352 N ASN B 24 9.806 4.844 -6.516 1.00 0.00 N ATOM 353 CA ASN B 24 10.087 6.131 -7.244 1.00 0.00 C ATOM 354 C ASN B 24 8.829 6.544 -8.009 1.00 0.00 C ATOM 355 O ASN B 24 8.885 7.159 -9.055 1.00 0.00 O ATOM 356 CB ASN B 24 11.265 6.003 -8.220 1.00 0.00 C ATOM 357 CG ASN B 24 12.542 5.655 -7.447 1.00 0.00 C ATOM 358 OD1 ASN B 24 13.162 4.640 -7.699 1.00 0.00 O ATOM 359 ND2 ASN B 24 12.964 6.461 -6.510 1.00 0.00 N ATOM 0 H ASN B 24 9.165 4.950 -5.730 1.00 0.00 H new ATOM 0 HA ASN B 24 10.360 6.886 -6.507 1.00 0.00 H new ATOM 0 HB2 ASN B 24 11.054 5.231 -8.960 1.00 0.00 H new ATOM 0 HB3 ASN B 24 11.401 6.937 -8.765 1.00 0.00 H new ATOM 0 HD21 ASN B 24 13.813 6.239 -5.990 1.00 0.00 H new ATOM 0 HD22 ASN B 24 12.445 7.313 -6.298 1.00 0.00 H new ATOM 366 N GLN B 25 7.697 6.218 -7.461 1.00 0.00 N ATOM 367 CA GLN B 25 6.394 6.574 -8.088 1.00 0.00 C ATOM 368 C GLN B 25 5.353 6.485 -6.985 1.00 0.00 C ATOM 369 O GLN B 25 5.602 5.874 -5.967 1.00 0.00 O ATOM 370 CB GLN B 25 6.056 5.584 -9.202 1.00 0.00 C ATOM 371 CG GLN B 25 4.686 5.924 -9.792 1.00 0.00 C ATOM 372 CD GLN B 25 4.650 7.403 -10.178 1.00 0.00 C ATOM 373 OE1 GLN B 25 4.270 8.241 -9.384 1.00 0.00 O ATOM 374 NE2 GLN B 25 5.032 7.764 -11.373 1.00 0.00 N ATOM 0 H GLN B 25 7.616 5.707 -6.582 1.00 0.00 H new ATOM 0 HA GLN B 25 6.427 7.570 -8.529 1.00 0.00 H new ATOM 0 HB2 GLN B 25 6.818 5.623 -9.980 1.00 0.00 H new ATOM 0 HB3 GLN B 25 6.052 4.567 -8.810 1.00 0.00 H new ATOM 0 HG2 GLN B 25 4.491 5.304 -10.667 1.00 0.00 H new ATOM 0 HG3 GLN B 25 3.902 5.707 -9.067 1.00 0.00 H new ATOM 0 HE21 GLN B 25 5.351 7.062 -12.040 1.00 0.00 H new ATOM 0 HE22 GLN B 25 5.011 8.748 -11.639 1.00 0.00 H new ATOM 383 N HIS B 26 4.207 7.085 -7.126 1.00 0.00 N ATOM 384 CA HIS B 26 3.251 6.980 -5.996 1.00 0.00 C ATOM 385 C HIS B 26 1.869 6.469 -6.383 1.00 0.00 C ATOM 386 O HIS B 26 1.457 6.467 -7.526 1.00 0.00 O ATOM 387 CB HIS B 26 3.082 8.315 -5.293 1.00 0.00 C ATOM 388 CG HIS B 26 2.698 7.987 -3.891 1.00 0.00 C ATOM 389 ND1 HIS B 26 3.317 6.954 -3.235 1.00 0.00 N ATOM 390 CD2 HIS B 26 1.738 8.485 -3.062 1.00 0.00 C ATOM 391 CE1 HIS B 26 2.735 6.846 -2.044 1.00 0.00 C ATOM 392 NE2 HIS B 26 1.756 7.756 -1.891 1.00 0.00 N ATOM 0 H HIS B 26 3.900 7.621 -7.938 1.00 0.00 H new ATOM 0 HA HIS B 26 3.701 6.242 -5.332 1.00 0.00 H new ATOM 0 HB2 HIS B 26 4.006 8.892 -5.321 1.00 0.00 H new ATOM 0 HB3 HIS B 26 2.315 8.919 -5.778 1.00 0.00 H new ATOM 0 HD2 HIS B 26 1.076 9.309 -3.284 1.00 0.00 H new ATOM 0 HE1 HIS B 26 3.013 6.120 -1.295 1.00 0.00 H new ATOM 0 HE2 HIS B 26 1.153 7.881 -1.078 1.00 0.00 H new ATOM 400 N LEU B 27 1.171 6.030 -5.369 1.00 0.00 N ATOM 401 CA LEU B 27 -0.204 5.480 -5.508 1.00 0.00 C ATOM 402 C LEU B 27 -1.256 6.555 -5.184 1.00 0.00 C ATOM 403 O LEU B 27 -0.987 7.735 -5.260 1.00 0.00 O ATOM 404 CB LEU B 27 -0.325 4.308 -4.513 1.00 0.00 C ATOM 405 CG LEU B 27 -0.816 4.761 -3.108 1.00 0.00 C ATOM 406 CD1 LEU B 27 -0.372 3.743 -2.062 1.00 0.00 C ATOM 407 CD2 LEU B 27 -0.244 6.121 -2.687 1.00 0.00 C ATOM 0 H LEU B 27 1.517 6.032 -4.410 1.00 0.00 H new ATOM 0 HA LEU B 27 -0.379 5.147 -6.531 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -1.017 3.567 -4.913 1.00 0.00 H new ATOM 0 HB3 LEU B 27 0.644 3.819 -4.414 1.00 0.00 H new ATOM 0 HG LEU B 27 -1.901 4.841 -3.171 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -0.716 4.060 -1.077 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -0.798 2.768 -2.299 1.00 0.00 H new ATOM 0 HD13 LEU B 27 0.716 3.673 -2.061 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -0.622 6.384 -1.699 1.00 0.00 H new ATOM 0 HD22 LEU B 27 0.844 6.064 -2.656 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -0.548 6.882 -3.406 1.00 0.00 H new ATOM 419 N CYS B 28 -2.431 6.116 -4.789 1.00 0.00 N ATOM 420 CA CYS B 28 -3.556 7.032 -4.394 1.00 0.00 C ATOM 421 C CYS B 28 -4.867 6.444 -4.918 1.00 0.00 C ATOM 422 O CYS B 28 -4.913 5.841 -5.972 1.00 0.00 O ATOM 423 CB CYS B 28 -3.367 8.455 -4.942 1.00 0.00 C ATOM 424 SG CYS B 28 -2.406 9.485 -3.776 1.00 0.00 S ATOM 0 H CYS B 28 -2.664 5.125 -4.722 1.00 0.00 H new ATOM 0 HA CYS B 28 -3.572 7.108 -3.307 1.00 0.00 H new ATOM 0 HB2 CYS B 28 -2.855 8.413 -5.903 1.00 0.00 H new ATOM 0 HB3 CYS B 28 -4.340 8.912 -5.119 1.00 0.00 H new ATOM 429 N GLY B 29 -5.931 6.590 -4.173 1.00 0.00 N ATOM 430 CA GLY B 29 -7.229 6.012 -4.616 1.00 0.00 C ATOM 431 C GLY B 29 -7.027 4.521 -4.872 1.00 0.00 C ATOM 432 O GLY B 29 -6.430 3.821 -4.074 1.00 0.00 O ATOM 0 H GLY B 29 -5.955 7.083 -3.280 1.00 0.00 H new ATOM 0 HA2 GLY B 29 -7.993 6.166 -3.854 1.00 0.00 H new ATOM 0 HA3 GLY B 29 -7.577 6.509 -5.522 1.00 0.00 H new ATOM 436 N SER B 30 -7.496 4.022 -5.980 1.00 0.00 N ATOM 437 CA SER B 30 -7.295 2.579 -6.266 1.00 0.00 C ATOM 438 C SER B 30 -5.806 2.271 -6.121 1.00 0.00 C ATOM 439 O SER B 30 -5.418 1.309 -5.490 1.00 0.00 O ATOM 440 CB SER B 30 -7.752 2.265 -7.691 1.00 0.00 C ATOM 441 OG SER B 30 -9.143 1.975 -7.685 1.00 0.00 O ATOM 0 H SER B 30 -8.005 4.546 -6.692 1.00 0.00 H new ATOM 0 HA SER B 30 -7.877 1.971 -5.573 1.00 0.00 H new ATOM 0 HB2 SER B 30 -7.548 3.112 -8.346 1.00 0.00 H new ATOM 0 HB3 SER B 30 -7.194 1.416 -8.086 1.00 0.00 H new ATOM 0 HG SER B 30 -9.439 1.775 -8.597 1.00 0.00 H new ATOM 447 N ASP B 31 -4.967 3.095 -6.691 1.00 0.00 N ATOM 448 CA ASP B 31 -3.501 2.862 -6.577 1.00 0.00 C ATOM 449 C ASP B 31 -3.143 2.620 -5.111 1.00 0.00 C ATOM 450 O ASP B 31 -2.226 1.886 -4.801 1.00 0.00 O ATOM 451 CB ASP B 31 -2.743 4.084 -7.100 1.00 0.00 C ATOM 452 CG ASP B 31 -3.009 4.247 -8.599 1.00 0.00 C ATOM 453 OD1 ASP B 31 -2.412 3.514 -9.370 1.00 0.00 O ATOM 454 OD2 ASP B 31 -3.804 5.103 -8.951 1.00 0.00 O ATOM 0 H ASP B 31 -5.235 3.918 -7.230 1.00 0.00 H new ATOM 0 HA ASP B 31 -3.222 1.990 -7.169 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -3.060 4.979 -6.564 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -1.674 3.967 -6.920 1.00 0.00 H new ATOM 459 N LEU B 32 -3.866 3.220 -4.205 1.00 0.00 N ATOM 460 CA LEU B 32 -3.563 3.006 -2.763 1.00 0.00 C ATOM 461 C LEU B 32 -3.889 1.564 -2.400 1.00 0.00 C ATOM 462 O LEU B 32 -3.008 0.774 -2.127 1.00 0.00 O ATOM 463 CB LEU B 32 -4.392 3.968 -1.902 1.00 0.00 C ATOM 464 CG LEU B 32 -3.574 4.417 -0.685 1.00 0.00 C ATOM 465 CD1 LEU B 32 -2.869 5.739 -0.993 1.00 0.00 C ATOM 466 CD2 LEU B 32 -4.506 4.620 0.511 1.00 0.00 C ATOM 0 H LEU B 32 -4.648 3.845 -4.400 1.00 0.00 H new ATOM 0 HA LEU B 32 -2.507 3.201 -2.577 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -4.688 4.835 -2.492 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -5.309 3.478 -1.574 1.00 0.00 H new ATOM 0 HG LEU B 32 -2.833 3.652 -0.453 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -2.289 6.053 -0.125 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -2.203 5.606 -1.845 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -3.612 6.501 -1.228 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -3.924 4.939 1.376 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -5.246 5.383 0.270 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -5.013 3.683 0.741 1.00 0.00 H new ATOM 478 N VAL B 33 -5.137 1.199 -2.407 1.00 0.00 N ATOM 479 CA VAL B 33 -5.476 -0.210 -2.072 1.00 0.00 C ATOM 480 C VAL B 33 -4.679 -1.128 -2.993 1.00 0.00 C ATOM 481 O VAL B 33 -4.227 -2.184 -2.599 1.00 0.00 O ATOM 482 CB VAL B 33 -6.969 -0.452 -2.291 1.00 0.00 C ATOM 483 CG1 VAL B 33 -7.773 0.553 -1.475 1.00 0.00 C ATOM 484 CG2 VAL B 33 -7.299 -0.281 -3.775 1.00 0.00 C ATOM 0 H VAL B 33 -5.928 1.804 -2.627 1.00 0.00 H new ATOM 0 HA VAL B 33 -5.233 -0.411 -1.029 1.00 0.00 H new ATOM 0 HB VAL B 33 -7.223 -1.463 -1.974 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -8.838 0.380 -1.632 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -7.538 0.434 -0.417 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -7.519 1.565 -1.792 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -8.364 -0.453 -3.933 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -7.044 0.731 -4.090 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -6.724 -0.999 -4.361 1.00 0.00 H new ATOM 494 N GLU B 34 -4.501 -0.726 -4.220 1.00 0.00 N ATOM 495 CA GLU B 34 -3.732 -1.566 -5.171 1.00 0.00 C ATOM 496 C GLU B 34 -2.287 -1.680 -4.693 1.00 0.00 C ATOM 497 O GLU B 34 -1.755 -2.762 -4.564 1.00 0.00 O ATOM 498 CB GLU B 34 -3.763 -0.923 -6.559 1.00 0.00 C ATOM 499 CG GLU B 34 -4.810 -1.626 -7.425 1.00 0.00 C ATOM 500 CD GLU B 34 -5.888 -0.624 -7.839 1.00 0.00 C ATOM 501 OE1 GLU B 34 -6.791 -0.396 -7.051 1.00 0.00 O ATOM 502 OE2 GLU B 34 -5.791 -0.100 -8.937 1.00 0.00 O ATOM 0 H GLU B 34 -4.857 0.150 -4.603 1.00 0.00 H new ATOM 0 HA GLU B 34 -4.177 -2.560 -5.222 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -3.999 0.138 -6.475 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -2.781 -0.995 -7.027 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -4.338 -2.054 -8.309 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -5.259 -2.451 -6.873 1.00 0.00 H new ATOM 509 N ALA B 35 -1.642 -0.576 -4.423 1.00 0.00 N ATOM 510 CA ALA B 35 -0.229 -0.648 -3.957 1.00 0.00 C ATOM 511 C ALA B 35 -0.117 -1.693 -2.847 1.00 0.00 C ATOM 512 O ALA B 35 0.584 -2.677 -2.976 1.00 0.00 O ATOM 513 CB ALA B 35 0.210 0.714 -3.422 1.00 0.00 C ATOM 0 H ALA B 35 -2.029 0.364 -4.504 1.00 0.00 H new ATOM 0 HA ALA B 35 0.414 -0.928 -4.792 1.00 0.00 H new ATOM 0 HB1 ALA B 35 1.244 0.655 -3.083 1.00 0.00 H new ATOM 0 HB2 ALA B 35 0.130 1.459 -4.214 1.00 0.00 H new ATOM 0 HB3 ALA B 35 -0.430 1.001 -2.588 1.00 0.00 H new ATOM 519 N LEU B 36 -0.807 -1.500 -1.756 1.00 0.00 N ATOM 520 CA LEU B 36 -0.730 -2.504 -0.660 1.00 0.00 C ATOM 521 C LEU B 36 -1.102 -3.869 -1.232 1.00 0.00 C ATOM 522 O LEU B 36 -0.757 -4.903 -0.692 1.00 0.00 O ATOM 523 CB LEU B 36 -1.711 -2.136 0.466 1.00 0.00 C ATOM 524 CG LEU B 36 -1.510 -0.683 0.940 1.00 0.00 C ATOM 525 CD1 LEU B 36 -0.140 -0.149 0.522 1.00 0.00 C ATOM 526 CD2 LEU B 36 -2.598 0.202 0.339 1.00 0.00 C ATOM 0 H LEU B 36 -1.414 -0.700 -1.578 1.00 0.00 H new ATOM 0 HA LEU B 36 0.280 -2.525 -0.250 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -2.735 -2.267 0.115 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -1.573 -2.816 1.307 1.00 0.00 H new ATOM 0 HG LEU B 36 -1.569 -0.668 2.028 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -0.028 0.878 0.871 1.00 0.00 H new ATOM 0 HD12 LEU B 36 0.642 -0.769 0.961 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -0.056 -0.175 -0.564 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -2.457 1.230 0.673 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -2.539 0.163 -0.749 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -3.576 -0.154 0.662 1.00 0.00 H new ATOM 538 N TYR B 37 -1.804 -3.872 -2.329 1.00 0.00 N ATOM 539 CA TYR B 37 -2.212 -5.158 -2.954 1.00 0.00 C ATOM 540 C TYR B 37 -1.083 -5.674 -3.853 1.00 0.00 C ATOM 541 O TYR B 37 -1.097 -6.808 -4.292 1.00 0.00 O ATOM 542 CB TYR B 37 -3.480 -4.944 -3.786 1.00 0.00 C ATOM 543 CG TYR B 37 -3.800 -6.252 -4.548 1.00 0.00 C ATOM 544 CD1 TYR B 37 -4.440 -7.333 -3.892 1.00 0.00 C ATOM 545 CD2 TYR B 37 -3.450 -6.403 -5.913 1.00 0.00 C ATOM 546 CE1 TYR B 37 -4.721 -8.517 -4.585 1.00 0.00 C ATOM 547 CE2 TYR B 37 -3.738 -7.596 -6.591 1.00 0.00 C ATOM 548 CZ TYR B 37 -4.372 -8.647 -5.929 1.00 0.00 C ATOM 549 OH TYR B 37 -4.652 -9.817 -6.603 1.00 0.00 O ATOM 0 H TYR B 37 -2.114 -3.034 -2.822 1.00 0.00 H new ATOM 0 HA TYR B 37 -2.413 -5.892 -2.174 1.00 0.00 H new ATOM 0 HB2 TYR B 37 -4.314 -4.669 -3.140 1.00 0.00 H new ATOM 0 HB3 TYR B 37 -3.337 -4.123 -4.488 1.00 0.00 H new ATOM 0 HD1 TYR B 37 -4.713 -7.243 -2.851 1.00 0.00 H new ATOM 0 HD2 TYR B 37 -2.959 -5.595 -6.434 1.00 0.00 H new ATOM 0 HE1 TYR B 37 -5.211 -9.334 -4.076 1.00 0.00 H new ATOM 0 HE2 TYR B 37 -3.467 -7.702 -7.631 1.00 0.00 H new ATOM 0 HH TYR B 37 -4.344 -9.742 -7.530 1.00 0.00 H new ATOM 559 N LEU B 38 -0.095 -4.860 -4.115 1.00 0.00 N ATOM 560 CA LEU B 38 1.041 -5.323 -4.968 1.00 0.00 C ATOM 561 C LEU B 38 2.164 -5.814 -4.058 1.00 0.00 C ATOM 562 O LEU B 38 2.634 -6.929 -4.175 1.00 0.00 O ATOM 563 CB LEU B 38 1.581 -4.184 -5.845 1.00 0.00 C ATOM 564 CG LEU B 38 0.539 -3.078 -5.990 1.00 0.00 C ATOM 565 CD1 LEU B 38 1.139 -1.918 -6.784 1.00 0.00 C ATOM 566 CD2 LEU B 38 -0.688 -3.616 -6.725 1.00 0.00 C ATOM 0 H LEU B 38 -0.024 -3.900 -3.778 1.00 0.00 H new ATOM 0 HA LEU B 38 0.684 -6.121 -5.619 1.00 0.00 H new ATOM 0 HB2 LEU B 38 2.491 -3.778 -5.404 1.00 0.00 H new ATOM 0 HB3 LEU B 38 1.849 -4.570 -6.828 1.00 0.00 H new ATOM 0 HG LEU B 38 0.241 -2.731 -5.001 1.00 0.00 H new ATOM 0 HD11 LEU B 38 0.397 -1.127 -6.889 1.00 0.00 H new ATOM 0 HD12 LEU B 38 2.011 -1.530 -6.258 1.00 0.00 H new ATOM 0 HD13 LEU B 38 1.437 -2.269 -7.772 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -1.429 -2.823 -6.826 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -0.395 -3.966 -7.715 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -1.117 -4.443 -6.160 1.00 0.00 H new ATOM 578 N VAL B 39 2.590 -4.987 -3.144 1.00 0.00 N ATOM 579 CA VAL B 39 3.676 -5.397 -2.215 1.00 0.00 C ATOM 580 C VAL B 39 3.221 -6.632 -1.436 1.00 0.00 C ATOM 581 O VAL B 39 4.020 -7.433 -0.992 1.00 0.00 O ATOM 582 CB VAL B 39 3.971 -4.246 -1.245 1.00 0.00 C ATOM 583 CG1 VAL B 39 3.948 -2.922 -2.009 1.00 0.00 C ATOM 584 CG2 VAL B 39 2.910 -4.211 -0.139 1.00 0.00 C ATOM 0 H VAL B 39 2.231 -4.043 -3.001 1.00 0.00 H new ATOM 0 HA VAL B 39 4.581 -5.634 -2.775 1.00 0.00 H new ATOM 0 HB VAL B 39 4.953 -4.397 -0.797 1.00 0.00 H new ATOM 0 HG11 VAL B 39 4.157 -2.102 -1.322 1.00 0.00 H new ATOM 0 HG12 VAL B 39 4.705 -2.941 -2.793 1.00 0.00 H new ATOM 0 HG13 VAL B 39 2.965 -2.778 -2.457 1.00 0.00 H new ATOM 0 HG21 VAL B 39 3.126 -3.391 0.546 1.00 0.00 H new ATOM 0 HG22 VAL B 39 1.926 -4.063 -0.583 1.00 0.00 H new ATOM 0 HG23 VAL B 39 2.923 -5.154 0.408 1.00 0.00 H new ATOM 594 N CYS B 40 1.936 -6.787 -1.268 1.00 0.00 N ATOM 595 CA CYS B 40 1.420 -7.963 -0.520 1.00 0.00 C ATOM 596 C CYS B 40 0.418 -8.721 -1.395 1.00 0.00 C ATOM 597 O CYS B 40 -0.555 -9.265 -0.912 1.00 0.00 O ATOM 598 CB CYS B 40 0.728 -7.485 0.757 1.00 0.00 C ATOM 599 SG CYS B 40 1.954 -7.332 2.079 1.00 0.00 S ATOM 0 H CYS B 40 1.222 -6.148 -1.618 1.00 0.00 H new ATOM 0 HA CYS B 40 2.246 -8.625 -0.259 1.00 0.00 H new ATOM 0 HB2 CYS B 40 0.242 -6.525 0.583 1.00 0.00 H new ATOM 0 HB3 CYS B 40 -0.051 -8.189 1.048 1.00 0.00 H new ATOM 604 N GLY B 41 0.648 -8.757 -2.680 1.00 0.00 N ATOM 605 CA GLY B 41 -0.291 -9.476 -3.587 1.00 0.00 C ATOM 606 C GLY B 41 -0.243 -10.979 -3.300 1.00 0.00 C ATOM 607 O GLY B 41 -1.181 -11.701 -3.572 1.00 0.00 O ATOM 0 H GLY B 41 1.446 -8.319 -3.140 1.00 0.00 H new ATOM 0 HA2 GLY B 41 -1.305 -9.102 -3.446 1.00 0.00 H new ATOM 0 HA3 GLY B 41 -0.023 -9.287 -4.626 1.00 0.00 H new ATOM 611 N GLU B 42 0.841 -11.458 -2.754 1.00 0.00 N ATOM 612 CA GLU B 42 0.941 -12.915 -2.454 1.00 0.00 C ATOM 613 C GLU B 42 0.599 -13.160 -0.984 1.00 0.00 C ATOM 614 O GLU B 42 0.253 -14.257 -0.589 1.00 0.00 O ATOM 615 CB GLU B 42 2.366 -13.397 -2.736 1.00 0.00 C ATOM 616 CG GLU B 42 2.489 -14.877 -2.367 1.00 0.00 C ATOM 617 CD GLU B 42 3.782 -15.444 -2.956 1.00 0.00 C ATOM 618 OE1 GLU B 42 4.417 -14.741 -3.725 1.00 0.00 O ATOM 619 OE2 GLU B 42 4.116 -16.570 -2.627 1.00 0.00 O ATOM 0 H GLU B 42 1.660 -10.905 -2.503 1.00 0.00 H new ATOM 0 HA GLU B 42 0.241 -13.464 -3.084 1.00 0.00 H new ATOM 0 HB2 GLU B 42 2.608 -13.253 -3.789 1.00 0.00 H new ATOM 0 HB3 GLU B 42 3.081 -12.808 -2.161 1.00 0.00 H new ATOM 0 HG2 GLU B 42 2.489 -14.994 -1.283 1.00 0.00 H new ATOM 0 HG3 GLU B 42 1.630 -15.430 -2.747 1.00 0.00 H new ATOM 626 N ARG B 43 0.693 -12.146 -0.173 1.00 0.00 N ATOM 627 CA ARG B 43 0.374 -12.314 1.273 1.00 0.00 C ATOM 628 C ARG B 43 -0.743 -11.346 1.665 1.00 0.00 C ATOM 629 O ARG B 43 -0.593 -10.144 1.583 1.00 0.00 O ATOM 630 CB ARG B 43 1.621 -12.017 2.109 1.00 0.00 C ATOM 631 CG ARG B 43 1.269 -12.095 3.596 1.00 0.00 C ATOM 632 CD ARG B 43 1.990 -10.976 4.349 1.00 0.00 C ATOM 633 NE ARG B 43 2.731 -11.552 5.506 1.00 0.00 N ATOM 634 CZ ARG B 43 4.036 -11.559 5.508 1.00 0.00 C ATOM 635 NH1 ARG B 43 4.696 -10.471 5.219 1.00 0.00 N ATOM 636 NH2 ARG B 43 4.682 -12.655 5.797 1.00 0.00 N ATOM 0 H ARG B 43 0.977 -11.206 -0.448 1.00 0.00 H new ATOM 0 HA ARG B 43 0.049 -13.338 1.456 1.00 0.00 H new ATOM 0 HB2 ARG B 43 2.409 -12.732 1.873 1.00 0.00 H new ATOM 0 HB3 ARG B 43 2.007 -11.027 1.867 1.00 0.00 H new ATOM 0 HG2 ARG B 43 0.191 -12.003 3.731 1.00 0.00 H new ATOM 0 HG3 ARG B 43 1.559 -13.065 3.999 1.00 0.00 H new ATOM 0 HD2 ARG B 43 2.681 -10.461 3.682 1.00 0.00 H new ATOM 0 HD3 ARG B 43 1.270 -10.235 4.697 1.00 0.00 H new ATOM 0 HE ARG B 43 2.218 -11.941 6.297 1.00 0.00 H new ATOM 0 HH11 ARG B 43 4.192 -9.614 4.991 1.00 0.00 H new ATOM 0 HH12 ARG B 43 5.716 -10.478 5.221 1.00 0.00 H new ATOM 0 HH21 ARG B 43 4.167 -13.506 6.021 1.00 0.00 H new ATOM 0 HH22 ARG B 43 5.702 -12.660 5.799 1.00 0.00 H new ATOM 650 N GLY B 44 -1.864 -11.861 2.091 1.00 0.00 N ATOM 651 CA GLY B 44 -2.989 -10.968 2.488 1.00 0.00 C ATOM 652 C GLY B 44 -2.584 -10.155 3.720 1.00 0.00 C ATOM 653 O GLY B 44 -1.537 -10.366 4.298 1.00 0.00 O ATOM 0 H GLY B 44 -2.049 -12.860 2.181 1.00 0.00 H new ATOM 0 HA2 GLY B 44 -3.245 -10.300 1.666 1.00 0.00 H new ATOM 0 HA3 GLY B 44 -3.878 -11.560 2.706 1.00 0.00 H new ATOM 657 N GLY B 45 -3.405 -9.228 4.127 1.00 0.00 N ATOM 658 CA GLY B 45 -3.063 -8.405 5.322 1.00 0.00 C ATOM 659 C GLY B 45 -4.307 -7.660 5.806 1.00 0.00 C ATOM 660 O GLY B 45 -5.330 -8.253 6.081 1.00 0.00 O ATOM 0 H GLY B 45 -4.297 -9.004 3.685 1.00 0.00 H new ATOM 0 HA2 GLY B 45 -2.677 -9.043 6.117 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -2.275 -7.694 5.073 1.00 0.00 H new ATOM 664 N PHE B 46 -4.227 -6.361 5.913 1.00 0.00 N ATOM 665 CA PHE B 46 -5.406 -5.578 6.380 1.00 0.00 C ATOM 666 C PHE B 46 -6.351 -5.328 5.202 1.00 0.00 C ATOM 667 O PHE B 46 -7.507 -5.702 5.231 1.00 0.00 O ATOM 668 CB PHE B 46 -4.934 -4.238 6.954 1.00 0.00 C ATOM 669 CG PHE B 46 -6.181 -3.426 7.429 1.00 0.00 C ATOM 670 CD1 PHE B 46 -6.920 -2.615 6.521 1.00 0.00 C ATOM 671 CD2 PHE B 46 -6.622 -3.483 8.780 1.00 0.00 C ATOM 672 CE1 PHE B 46 -8.040 -1.897 6.958 1.00 0.00 C ATOM 673 CE2 PHE B 46 -7.745 -2.755 9.194 1.00 0.00 C ATOM 674 CZ PHE B 46 -8.449 -1.965 8.287 1.00 0.00 C ATOM 0 H PHE B 46 -3.397 -5.809 5.697 1.00 0.00 H new ATOM 0 HA PHE B 46 -5.932 -6.138 7.153 1.00 0.00 H new ATOM 0 HB2 PHE B 46 -4.252 -4.404 7.788 1.00 0.00 H new ATOM 0 HB3 PHE B 46 -4.384 -3.677 6.199 1.00 0.00 H new ATOM 0 HD1 PHE B 46 -6.614 -2.553 5.487 1.00 0.00 H new ATOM 0 HD2 PHE B 46 -6.087 -4.093 9.493 1.00 0.00 H new ATOM 0 HE1 PHE B 46 -8.591 -1.286 6.259 1.00 0.00 H new ATOM 0 HE2 PHE B 46 -8.068 -2.806 10.223 1.00 0.00 H new ATOM 0 HZ PHE B 46 -9.312 -1.405 8.615 1.00 0.00 H new ATOM 684 N TYR B 47 -5.868 -4.701 4.164 1.00 0.00 N ATOM 685 CA TYR B 47 -6.738 -4.430 2.984 1.00 0.00 C ATOM 686 C TYR B 47 -7.557 -5.682 2.657 1.00 0.00 C ATOM 687 O TYR B 47 -8.695 -5.802 3.054 1.00 0.00 O ATOM 688 CB TYR B 47 -5.864 -4.047 1.785 1.00 0.00 C ATOM 689 CG TYR B 47 -6.782 -3.826 0.542 1.00 0.00 C ATOM 690 CD1 TYR B 47 -8.063 -3.212 0.677 1.00 0.00 C ATOM 691 CD2 TYR B 47 -6.376 -4.233 -0.755 1.00 0.00 C ATOM 692 CE1 TYR B 47 -8.882 -3.022 -0.443 1.00 0.00 C ATOM 693 CE2 TYR B 47 -7.212 -4.033 -1.861 1.00 0.00 C ATOM 694 CZ TYR B 47 -8.458 -3.429 -1.706 1.00 0.00 C ATOM 695 OH TYR B 47 -9.273 -3.235 -2.802 1.00 0.00 O ATOM 0 H TYR B 47 -4.909 -4.365 4.082 1.00 0.00 H new ATOM 0 HA TYR B 47 -7.417 -3.608 3.208 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -5.300 -3.140 2.004 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -5.137 -4.833 1.582 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -8.404 -2.891 1.650 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -5.413 -4.702 -0.891 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -9.850 -2.556 -0.327 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -6.888 -4.349 -2.842 1.00 0.00 H new ATOM 0 HH TYR B 47 -8.753 -3.364 -3.623 1.00 0.00 H new ATOM 705 N THR B 48 -6.973 -6.598 1.928 1.00 0.00 N ATOM 706 CA THR B 48 -7.668 -7.872 1.539 1.00 0.00 C ATOM 707 C THR B 48 -8.637 -7.625 0.378 1.00 0.00 C ATOM 708 O THR B 48 -9.099 -8.549 -0.262 1.00 0.00 O ATOM 709 CB THR B 48 -8.433 -8.468 2.731 1.00 0.00 C ATOM 710 OG1 THR B 48 -7.508 -9.025 3.654 1.00 0.00 O ATOM 711 CG2 THR B 48 -9.372 -9.563 2.227 1.00 0.00 C ATOM 0 H THR B 48 -6.019 -6.518 1.575 1.00 0.00 H new ATOM 0 HA THR B 48 -6.904 -8.583 1.222 1.00 0.00 H new ATOM 0 HB THR B 48 -9.012 -7.687 3.225 1.00 0.00 H new ATOM 0 HG1 THR B 48 -7.994 -9.404 4.416 1.00 0.00 H new ATOM 0 HG21 THR B 48 -9.918 -9.990 3.068 1.00 0.00 H new ATOM 0 HG22 THR B 48 -10.079 -9.137 1.515 1.00 0.00 H new ATOM 0 HG23 THR B 48 -8.790 -10.344 1.738 1.00 0.00 H new ATOM 719 N LYS B 49 -8.948 -6.395 0.099 1.00 0.00 N ATOM 720 CA LYS B 49 -9.884 -6.102 -1.023 1.00 0.00 C ATOM 721 C LYS B 49 -11.210 -6.827 -0.778 1.00 0.00 C ATOM 722 O LYS B 49 -11.342 -7.993 -1.092 1.00 0.00 O ATOM 723 CB LYS B 49 -9.271 -6.594 -2.336 1.00 0.00 C ATOM 724 CG LYS B 49 -10.130 -6.117 -3.509 1.00 0.00 C ATOM 725 CD LYS B 49 -9.729 -6.870 -4.778 1.00 0.00 C ATOM 726 CE LYS B 49 -10.968 -7.114 -5.643 1.00 0.00 C ATOM 727 NZ LYS B 49 -11.225 -5.918 -6.495 1.00 0.00 N ATOM 0 H LYS B 49 -8.596 -5.577 0.597 1.00 0.00 H new ATOM 0 HA LYS B 49 -10.060 -5.028 -1.082 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -8.254 -6.216 -2.439 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -9.209 -7.682 -2.336 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -11.185 -6.285 -3.292 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -10.001 -5.044 -3.654 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -8.991 -6.295 -5.336 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -9.262 -7.820 -4.517 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -10.820 -7.994 -6.269 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -11.832 -7.315 -5.010 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -12.067 -6.085 -7.082 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -11.384 -5.088 -5.889 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -10.403 -5.746 -7.109 1.00 0.00 H new ATOM 741 N PRO B 50 -12.156 -6.114 -0.220 1.00 0.00 N ATOM 742 CA PRO B 50 -13.484 -6.664 0.082 1.00 0.00 C ATOM 743 C PRO B 50 -14.314 -6.791 -1.199 1.00 0.00 C ATOM 744 O PRO B 50 -13.914 -6.343 -2.254 1.00 0.00 O ATOM 745 CB PRO B 50 -14.095 -5.636 1.037 1.00 0.00 C ATOM 746 CG PRO B 50 -13.339 -4.312 0.788 1.00 0.00 C ATOM 747 CD PRO B 50 -11.989 -4.698 0.157 1.00 0.00 C ATOM 0 HA PRO B 50 -13.446 -7.663 0.516 1.00 0.00 H new ATOM 0 HB2 PRO B 50 -15.162 -5.516 0.849 1.00 0.00 H new ATOM 0 HB3 PRO B 50 -13.988 -5.956 2.073 1.00 0.00 H new ATOM 0 HG2 PRO B 50 -13.906 -3.659 0.124 1.00 0.00 H new ATOM 0 HG3 PRO B 50 -13.191 -3.767 1.721 1.00 0.00 H new ATOM 0 HD2 PRO B 50 -11.764 -4.079 -0.711 1.00 0.00 H new ATOM 0 HD3 PRO B 50 -11.168 -4.568 0.862 1.00 0.00 H new ATOM 755 N THR B 51 -15.465 -7.402 -1.115 1.00 0.00 N ATOM 756 CA THR B 51 -16.314 -7.557 -2.330 1.00 0.00 C ATOM 757 C THR B 51 -17.294 -6.386 -2.422 1.00 0.00 C ATOM 758 O THR B 51 -18.270 -6.511 -3.142 1.00 0.00 O ATOM 759 CB THR B 51 -17.094 -8.872 -2.242 1.00 0.00 C ATOM 760 OG1 THR B 51 -17.357 -9.177 -0.880 1.00 0.00 O ATOM 761 CG2 THR B 51 -16.272 -9.998 -2.870 1.00 0.00 C ATOM 762 OXT THR B 51 -17.050 -5.384 -1.771 1.00 0.00 O ATOM 0 H THR B 51 -15.853 -7.799 -0.259 1.00 0.00 H new ATOM 0 HA THR B 51 -15.681 -7.569 -3.217 1.00 0.00 H new ATOM 0 HB THR B 51 -18.037 -8.771 -2.779 1.00 0.00 H new ATOM 0 HG1 THR B 51 -16.576 -9.620 -0.487 1.00 0.00 H new ATOM 0 HG21 THR B 51 -16.828 -10.933 -2.807 1.00 0.00 H new ATOM 0 HG22 THR B 51 -16.074 -9.764 -3.916 1.00 0.00 H new ATOM 0 HG23 THR B 51 -15.328 -10.101 -2.336 1.00 0.00 H new TER 770 THR B 51