USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 374 hydrogens (15 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: B 26 NVA HD3 : B 26 NVA CD : B 29 HIX NE2 :(H bumps) USER MOD NoAdj-H: B 26 NVA HD1 : B 26 NVA CD : B 29 HIX NE2 :(H bumps) USER MOD NoAdj-H: B 26 NVA H2 : B 26 NVA N : B 25 PHE C :(H bumps) USER MOD Set 1.1: A 12 SER OG : rot 61:sc= 0.282 USER MOD Set 1.2: A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.192 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 8 THR OG1 : rot -81:sc= 0.424 USER MOD Single : A 9 SER OG : rot -76:sc= 1.17 USER MOD Single : A 15 GLN : amide:sc= -0.462 X(o=-0.46,f=-0.026) USER MOD Single : A 18 ASN : amide:sc= -0.156 X(o=-0.16,f=-0.16) USER MOD Single : A 19 TYR OH : rot 100:sc= -0.134 USER MOD Single : A 21 ASN : amide:sc= -1.11 K(o=-1.1,f=0.085) USER MOD Single : B 1 PHE N :NH3+ 133:sc= 0.0233 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.349 K(o=-0.35,f=-5.4!) USER MOD Single : B 4 GLN : amide:sc= 0 K(o=0,f=-0.92!) USER MOD Single : B 5 HIS : no HD1:sc= -0.229 K(o=-0.23,f=-1.4) USER MOD Single : B 9 SER OG : rot -40:sc= 0.198 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0.0166 USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.900 0.353 -0.519 1.00 25.00 N ATOM 2 CA GLY A 1 2.330 -0.820 -1.330 1.00 25.00 C ATOM 3 C GLY A 1 1.659 -0.813 -2.683 1.00 25.00 C ATOM 4 O GLY A 1 0.904 0.105 -2.933 1.00 25.00 O ATOM 0 H1 GLY A 1 2.728 0.941 -0.293 1.00 25.00 H new ATOM 0 H2 GLY A 1 1.213 0.916 -1.060 1.00 25.00 H new ATOM 0 H3 GLY A 1 1.459 0.022 0.363 1.00 25.00 H new ATOM 0 HA2 GLY A 1 3.413 -0.803 -1.456 1.00 25.00 H new ATOM 0 HA3 GLY A 1 2.085 -1.742 -0.802 1.00 25.00 H new ATOM 10 N ILE A 2 1.925 -1.795 -3.542 1.00 25.00 N ATOM 11 CA ILE A 2 1.304 -1.853 -4.870 1.00 25.00 C ATOM 12 C ILE A 2 0.813 -3.261 -5.230 1.00 25.00 C ATOM 13 O ILE A 2 -0.248 -3.421 -5.818 1.00 25.00 O ATOM 14 CB ILE A 2 2.284 -1.270 -5.957 1.00 25.00 C ATOM 15 CG1 ILE A 2 1.549 -1.132 -7.306 1.00 25.00 C ATOM 16 CG2 ILE A 2 3.589 -2.130 -6.074 1.00 25.00 C ATOM 17 CD1 ILE A 2 2.309 -0.330 -8.382 1.00 25.00 C ATOM 0 H ILE A 2 2.566 -2.563 -3.345 1.00 25.00 H new ATOM 0 HA ILE A 2 0.412 -1.228 -4.846 1.00 25.00 H new ATOM 0 HB ILE A 2 2.603 -0.275 -5.646 1.00 25.00 H new ATOM 0 HG12 ILE A 2 1.344 -2.129 -7.695 1.00 25.00 H new ATOM 0 HG13 ILE A 2 0.585 -0.654 -7.131 1.00 25.00 H new ATOM 0 HG21 ILE A 2 4.242 -1.699 -6.833 1.00 25.00 H new ATOM 0 HG22 ILE A 2 4.105 -2.140 -5.114 1.00 25.00 H new ATOM 0 HG23 ILE A 2 3.328 -3.150 -6.356 1.00 25.00 H new ATOM 0 HD11 ILE A 2 1.713 -0.288 -9.293 1.00 25.00 H new ATOM 0 HD12 ILE A 2 2.491 0.682 -8.021 1.00 25.00 H new ATOM 0 HD13 ILE A 2 3.261 -0.816 -8.594 1.00 25.00 H new ATOM 29 N VAL A 3 1.543 -4.287 -4.816 1.00 25.00 N ATOM 30 CA VAL A 3 1.157 -5.665 -5.138 1.00 25.00 C ATOM 31 C VAL A 3 -0.177 -6.027 -4.492 1.00 25.00 C ATOM 32 O VAL A 3 -1.051 -6.591 -5.133 1.00 25.00 O ATOM 33 CB VAL A 3 2.261 -6.694 -4.669 1.00 25.00 C ATOM 34 CG1 VAL A 3 1.855 -8.129 -4.999 1.00 25.00 C ATOM 35 CG2 VAL A 3 3.605 -6.372 -5.337 1.00 25.00 C ATOM 0 H VAL A 3 2.396 -4.200 -4.263 1.00 25.00 H new ATOM 0 HA VAL A 3 1.056 -5.724 -6.222 1.00 25.00 H new ATOM 0 HB VAL A 3 2.362 -6.604 -3.587 1.00 25.00 H new ATOM 0 HG11 VAL A 3 2.634 -8.814 -4.664 1.00 25.00 H new ATOM 0 HG12 VAL A 3 0.920 -8.368 -4.493 1.00 25.00 H new ATOM 0 HG13 VAL A 3 1.721 -8.231 -6.076 1.00 25.00 H new ATOM 0 HG21 VAL A 3 4.357 -7.088 -5.005 1.00 25.00 H new ATOM 0 HG22 VAL A 3 3.497 -6.434 -6.420 1.00 25.00 H new ATOM 0 HG23 VAL A 3 3.917 -5.365 -5.061 1.00 25.00 H new ATOM 45 N GLU A 4 -0.349 -5.644 -3.234 1.00 25.00 N ATOM 46 CA GLU A 4 -1.604 -5.878 -2.511 1.00 25.00 C ATOM 47 C GLU A 4 -2.780 -5.235 -3.251 1.00 25.00 C ATOM 48 O GLU A 4 -3.783 -5.908 -3.506 1.00 25.00 O ATOM 49 CB GLU A 4 -1.451 -5.324 -1.100 1.00 25.00 C ATOM 50 CG GLU A 4 -2.732 -5.376 -0.246 1.00 25.00 C ATOM 51 CD GLU A 4 -3.610 -4.151 -0.426 1.00 25.00 C ATOM 52 OE1 GLU A 4 -3.060 -3.033 -0.494 1.00 25.00 O ATOM 53 OE2 GLU A 4 -4.855 -4.300 -0.502 1.00 25.00 O ATOM 0 H GLU A 4 0.366 -5.167 -2.685 1.00 25.00 H new ATOM 0 HA GLU A 4 -1.816 -6.946 -2.454 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -0.667 -5.882 -0.588 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -1.116 -4.289 -1.165 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -3.302 -6.267 -0.508 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -2.459 -5.470 0.805 1.00 25.00 H new ATOM 60 N GLN A 5 -2.624 -3.986 -3.667 1.00 25.00 N ATOM 61 CA GLN A 5 -3.670 -3.270 -4.403 1.00 25.00 C ATOM 62 C GLN A 5 -3.985 -3.971 -5.735 1.00 25.00 C ATOM 63 O GLN A 5 -5.128 -4.042 -6.144 1.00 25.00 O ATOM 64 CB GLN A 5 -3.174 -1.846 -4.684 1.00 25.00 C ATOM 65 CG GLN A 5 -4.190 -0.921 -5.290 1.00 25.00 C ATOM 66 CD GLN A 5 -3.627 0.463 -5.505 1.00 25.00 C ATOM 67 OE1 GLN A 5 -2.439 0.638 -5.703 1.00 25.00 O ATOM 68 NE2 GLN A 5 -4.487 1.446 -5.478 1.00 25.00 N ATOM 0 H GLN A 5 -1.778 -3.439 -3.508 1.00 25.00 H new ATOM 0 HA GLN A 5 -4.581 -3.253 -3.804 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -2.822 -1.410 -3.749 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -2.315 -1.903 -5.352 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -4.530 -1.328 -6.242 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -5.062 -0.862 -4.639 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -5.475 1.255 -5.309 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -4.171 2.404 -5.626 1.00 25.00 H new ATOM 77 N CYS A 6 -2.949 -4.474 -6.395 1.00 25.00 N ATOM 78 CA CYS A 6 -3.094 -5.186 -7.669 1.00 25.00 C ATOM 79 C CYS A 6 -3.812 -6.531 -7.491 1.00 25.00 C ATOM 80 O CYS A 6 -4.546 -6.980 -8.367 1.00 25.00 O ATOM 81 CB CYS A 6 -1.696 -5.438 -8.260 1.00 25.00 C ATOM 82 SG CYS A 6 -1.560 -5.249 -10.078 1.00 25.00 S ATOM 0 H CYS A 6 -1.986 -4.403 -6.068 1.00 25.00 H new ATOM 0 HA CYS A 6 -3.695 -4.569 -8.337 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -0.992 -4.753 -7.788 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -1.385 -6.448 -7.993 1.00 25.00 H new ATOM 87 N CYS A 7 -3.613 -7.174 -6.336 1.00 25.00 N ATOM 88 CA CYS A 7 -4.279 -8.444 -6.038 1.00 25.00 C ATOM 89 C CYS A 7 -5.746 -8.253 -5.649 1.00 25.00 C ATOM 90 O CYS A 7 -6.627 -8.913 -6.209 1.00 25.00 O ATOM 91 CB CYS A 7 -3.557 -9.152 -4.887 1.00 25.00 C ATOM 92 SG CYS A 7 -1.930 -9.865 -5.314 1.00 25.00 S ATOM 0 H CYS A 7 -2.998 -6.837 -5.595 1.00 25.00 H new ATOM 0 HA CYS A 7 -4.242 -9.044 -6.947 1.00 25.00 H new ATOM 0 HB2 CYS A 7 -3.422 -8.441 -4.072 1.00 25.00 H new ATOM 0 HB3 CYS A 7 -4.199 -9.949 -4.512 1.00 25.00 H new ATOM 97 N THR A 8 -6.009 -7.380 -4.676 1.00 25.00 N ATOM 98 CA THR A 8 -7.357 -7.214 -4.101 1.00 25.00 C ATOM 99 C THR A 8 -8.378 -6.556 -5.034 1.00 25.00 C ATOM 100 O THR A 8 -9.455 -6.165 -4.614 1.00 25.00 O ATOM 101 CB THR A 8 -7.282 -6.380 -2.801 1.00 25.00 C ATOM 102 OG1 THR A 8 -6.636 -5.135 -3.078 1.00 25.00 O ATOM 103 CG2 THR A 8 -6.447 -7.093 -1.736 1.00 25.00 C ATOM 0 H THR A 8 -5.304 -6.769 -4.263 1.00 25.00 H new ATOM 0 HA THR A 8 -7.708 -8.229 -3.913 1.00 25.00 H new ATOM 0 HB THR A 8 -8.300 -6.236 -2.438 1.00 25.00 H new ATOM 0 HG1 THR A 8 -5.665 -5.266 -3.091 1.00 25.00 H new ATOM 0 HG21 THR A 8 -6.412 -6.483 -0.833 1.00 25.00 H new ATOM 0 HG22 THR A 8 -6.899 -8.058 -1.505 1.00 25.00 H new ATOM 0 HG23 THR A 8 -5.435 -7.247 -2.110 1.00 25.00 H new ATOM 111 N SER A 9 -8.005 -6.419 -6.287 1.00 25.00 N ATOM 112 CA SER A 9 -8.824 -5.723 -7.279 1.00 25.00 C ATOM 113 C SER A 9 -8.359 -6.062 -8.685 1.00 25.00 C ATOM 114 O SER A 9 -7.486 -6.904 -8.882 1.00 25.00 O ATOM 115 CB SER A 9 -8.720 -4.209 -7.078 1.00 25.00 C ATOM 116 OG SER A 9 -7.464 -3.717 -7.531 1.00 25.00 O ATOM 0 H SER A 9 -7.127 -6.784 -6.656 1.00 25.00 H new ATOM 0 HA SER A 9 -9.858 -6.044 -7.151 1.00 25.00 H new ATOM 0 HB2 SER A 9 -9.525 -3.711 -7.618 1.00 25.00 H new ATOM 0 HB3 SER A 9 -8.849 -3.970 -6.022 1.00 25.00 H new ATOM 0 HG SER A 9 -6.769 -3.945 -6.879 1.00 25.00 H new ATOM 122 N ILE A 10 -8.930 -5.373 -9.664 1.00 25.00 N ATOM 123 CA ILE A 10 -8.474 -5.487 -11.036 1.00 25.00 C ATOM 124 C ILE A 10 -7.103 -4.827 -11.055 1.00 25.00 C ATOM 125 O ILE A 10 -6.957 -3.673 -10.663 1.00 25.00 O ATOM 126 CB ILE A 10 -9.451 -4.763 -12.027 1.00 25.00 C ATOM 127 CG1 ILE A 10 -10.857 -5.392 -11.963 1.00 25.00 C ATOM 128 CG2 ILE A 10 -8.893 -4.782 -13.454 1.00 25.00 C ATOM 129 CD1 ILE A 10 -10.941 -6.858 -12.493 1.00 25.00 C ATOM 0 H ILE A 10 -9.710 -4.730 -9.530 1.00 25.00 H new ATOM 0 HA ILE A 10 -8.435 -6.527 -11.358 1.00 25.00 H new ATOM 0 HB ILE A 10 -9.540 -3.720 -11.722 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -11.202 -5.374 -10.929 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -11.544 -4.772 -12.539 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -9.588 -4.274 -14.123 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -7.930 -4.271 -13.475 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -8.764 -5.814 -13.780 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -11.967 -7.217 -12.409 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -10.631 -6.885 -13.538 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -10.284 -7.496 -11.903 1.00 25.00 H new ATOM 141 N CYS A 11 -6.082 -5.562 -11.490 1.00 25.00 N ATOM 142 CA CYS A 11 -4.701 -5.088 -11.416 1.00 25.00 C ATOM 143 C CYS A 11 -4.435 -3.744 -12.114 1.00 25.00 C ATOM 144 O CYS A 11 -3.501 -3.055 -11.753 1.00 25.00 O ATOM 145 CB CYS A 11 -3.743 -6.133 -12.018 1.00 25.00 C ATOM 146 SG CYS A 11 -2.560 -6.841 -10.840 1.00 25.00 S ATOM 0 H CYS A 11 -6.185 -6.491 -11.899 1.00 25.00 H new ATOM 0 HA CYS A 11 -4.523 -4.935 -10.352 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -4.333 -6.941 -12.450 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -3.189 -5.671 -12.835 1.00 25.00 H new ATOM 151 N SER A 12 -5.288 -3.394 -13.080 1.00 25.00 N ATOM 152 CA SER A 12 -5.242 -2.142 -13.836 1.00 25.00 C ATOM 153 C SER A 12 -3.981 -1.986 -14.707 1.00 25.00 C ATOM 154 O SER A 12 -2.869 -1.989 -14.234 1.00 25.00 O ATOM 155 CB SER A 12 -5.438 -0.944 -12.912 1.00 25.00 C ATOM 156 OG SER A 12 -6.700 -1.043 -12.244 1.00 25.00 O ATOM 0 H SER A 12 -6.058 -3.998 -13.367 1.00 25.00 H new ATOM 0 HA SER A 12 -6.074 -2.181 -14.539 1.00 25.00 H new ATOM 0 HB2 SER A 12 -4.632 -0.903 -12.180 1.00 25.00 H new ATOM 0 HB3 SER A 12 -5.393 -0.019 -13.487 1.00 25.00 H new ATOM 0 HG SER A 12 -6.721 -1.860 -11.704 1.00 25.00 H new ATOM 162 N LEU A 13 -4.197 -1.844 -16.004 1.00 25.00 N ATOM 163 CA LEU A 13 -3.091 -1.779 -16.959 1.00 25.00 C ATOM 164 C LEU A 13 -2.056 -0.683 -16.626 1.00 25.00 C ATOM 165 O LEU A 13 -0.861 -0.931 -16.676 1.00 25.00 O ATOM 166 CB LEU A 13 -3.632 -1.566 -18.379 1.00 25.00 C ATOM 167 CG LEU A 13 -2.569 -1.471 -19.497 1.00 25.00 C ATOM 168 CD1 LEU A 13 -1.705 -2.731 -19.609 1.00 25.00 C ATOM 169 CD2 LEU A 13 -3.231 -1.213 -20.832 1.00 25.00 C ATOM 0 H LEU A 13 -5.124 -1.771 -16.424 1.00 25.00 H new ATOM 0 HA LEU A 13 -2.570 -2.734 -16.892 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -4.309 -2.387 -18.616 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -4.224 -0.651 -18.388 1.00 25.00 H new ATOM 0 HG LEU A 13 -1.916 -0.641 -19.227 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -0.978 -2.603 -20.411 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -1.181 -2.898 -18.668 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -2.340 -3.589 -19.828 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -2.470 -1.149 -21.609 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -3.916 -2.029 -21.062 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -3.785 -0.275 -20.788 1.00 25.00 H new ATOM 181 N TYR A 14 -2.500 0.492 -16.228 1.00 25.00 N ATOM 182 CA TYR A 14 -1.580 1.584 -15.913 1.00 25.00 C ATOM 183 C TYR A 14 -0.757 1.281 -14.642 1.00 25.00 C ATOM 184 O TYR A 14 0.442 1.572 -14.572 1.00 25.00 O ATOM 185 CB TYR A 14 -2.356 2.914 -15.768 1.00 25.00 C ATOM 186 CG TYR A 14 -3.755 2.756 -15.190 1.00 25.00 C ATOM 187 CD1 TYR A 14 -3.972 2.781 -13.798 1.00 25.00 C ATOM 188 CD2 TYR A 14 -4.875 2.603 -16.039 1.00 25.00 C ATOM 189 CE1 TYR A 14 -5.280 2.635 -13.259 1.00 25.00 C ATOM 190 CE2 TYR A 14 -6.184 2.475 -15.504 1.00 25.00 C ATOM 191 CZ TYR A 14 -6.378 2.493 -14.117 1.00 25.00 C ATOM 192 OH TYR A 14 -7.641 2.378 -13.597 1.00 25.00 O ATOM 0 H TYR A 14 -3.487 0.722 -16.113 1.00 25.00 H new ATOM 0 HA TYR A 14 -0.876 1.682 -16.739 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -1.785 3.588 -15.130 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -2.430 3.388 -16.747 1.00 25.00 H new ATOM 0 HD1 TYR A 14 -3.133 2.913 -13.131 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -4.733 2.583 -17.109 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -5.427 2.634 -12.189 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -7.030 2.364 -16.166 1.00 25.00 H new ATOM 0 HH TYR A 14 -8.288 2.288 -14.327 1.00 25.00 H new ATOM 202 N GLN A 15 -1.382 0.654 -13.650 1.00 25.00 N ATOM 203 CA GLN A 15 -0.670 0.277 -12.419 1.00 25.00 C ATOM 204 C GLN A 15 0.351 -0.806 -12.726 1.00 25.00 C ATOM 205 O GLN A 15 1.416 -0.845 -12.133 1.00 25.00 O ATOM 206 CB GLN A 15 -1.655 -0.250 -11.373 1.00 25.00 C ATOM 207 CG GLN A 15 -2.497 0.829 -10.684 1.00 25.00 C ATOM 208 CD GLN A 15 -3.608 0.241 -9.816 1.00 25.00 C ATOM 209 OE1 GLN A 15 -4.689 0.792 -9.737 1.00 25.00 O ATOM 210 NE2 GLN A 15 -3.343 -0.872 -9.187 1.00 25.00 N ATOM 0 H GLN A 15 -2.369 0.396 -13.667 1.00 25.00 H new ATOM 0 HA GLN A 15 -0.167 1.161 -12.027 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -2.325 -0.963 -11.852 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -1.098 -0.797 -10.613 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -1.849 1.451 -10.066 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -2.937 1.479 -11.440 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -2.423 -1.303 -9.279 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -4.056 -1.310 -8.604 1.00 25.00 H new ATOM 219 N LEU A 16 0.004 -1.681 -13.663 1.00 25.00 N ATOM 220 CA LEU A 16 0.882 -2.763 -14.109 1.00 25.00 C ATOM 221 C LEU A 16 2.096 -2.138 -14.803 1.00 25.00 C ATOM 222 O LEU A 16 3.241 -2.493 -14.508 1.00 25.00 O ATOM 223 CB LEU A 16 0.102 -3.709 -15.053 1.00 25.00 C ATOM 224 CG LEU A 16 0.745 -5.035 -15.550 1.00 25.00 C ATOM 225 CD1 LEU A 16 -0.325 -5.824 -16.300 1.00 25.00 C ATOM 226 CD2 LEU A 16 1.933 -4.814 -16.456 1.00 25.00 C ATOM 0 H LEU A 16 -0.898 -1.662 -14.139 1.00 25.00 H new ATOM 0 HA LEU A 16 1.229 -3.360 -13.265 1.00 25.00 H new ATOM 0 HB2 LEU A 16 -0.828 -3.972 -14.549 1.00 25.00 H new ATOM 0 HB3 LEU A 16 -0.167 -3.131 -15.937 1.00 25.00 H new ATOM 0 HG LEU A 16 1.114 -5.578 -14.680 1.00 25.00 H new ATOM 0 HD11 LEU A 16 0.100 -6.761 -16.661 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -1.157 -6.037 -15.629 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -0.683 -5.238 -17.147 1.00 25.00 H new ATOM 0 HD21 LEU A 16 2.336 -5.777 -16.768 1.00 25.00 H new ATOM 0 HD22 LEU A 16 1.621 -4.249 -17.334 1.00 25.00 H new ATOM 0 HD23 LEU A 16 2.701 -4.256 -15.920 1.00 25.00 H new ATOM 238 N GLU A 17 1.860 -1.196 -15.712 1.00 25.00 N ATOM 239 CA GLU A 17 2.964 -0.553 -16.432 1.00 25.00 C ATOM 240 C GLU A 17 3.864 0.238 -15.471 1.00 25.00 C ATOM 241 O GLU A 17 5.073 0.305 -15.670 1.00 25.00 O ATOM 242 CB GLU A 17 2.414 0.386 -17.510 1.00 25.00 C ATOM 243 CG GLU A 17 1.825 -0.352 -18.710 1.00 25.00 C ATOM 244 CD GLU A 17 1.225 0.590 -19.747 1.00 25.00 C ATOM 245 OE1 GLU A 17 1.988 1.279 -20.436 1.00 25.00 O ATOM 246 OE2 GLU A 17 -0.014 0.599 -19.904 1.00 25.00 O ATOM 0 H GLU A 17 0.931 -0.862 -15.968 1.00 25.00 H new ATOM 0 HA GLU A 17 3.561 -1.336 -16.901 1.00 25.00 H new ATOM 0 HB2 GLU A 17 1.646 1.022 -17.070 1.00 25.00 H new ATOM 0 HB3 GLU A 17 3.214 1.043 -17.853 1.00 25.00 H new ATOM 0 HG2 GLU A 17 2.604 -0.953 -19.179 1.00 25.00 H new ATOM 0 HG3 GLU A 17 1.055 -1.042 -18.364 1.00 25.00 H new ATOM 253 N ASN A 18 3.302 0.737 -14.375 1.00 25.00 N ATOM 254 CA ASN A 18 4.099 1.419 -13.353 1.00 25.00 C ATOM 255 C ASN A 18 5.117 0.505 -12.619 1.00 25.00 C ATOM 256 O ASN A 18 5.920 0.991 -11.825 1.00 25.00 O ATOM 257 CB ASN A 18 3.169 2.035 -12.321 1.00 25.00 C ATOM 258 CG ASN A 18 3.863 3.074 -11.473 1.00 25.00 C ATOM 259 OD1 ASN A 18 4.393 4.053 -11.969 1.00 25.00 O ATOM 260 ND2 ASN A 18 3.835 2.869 -10.180 1.00 25.00 N ATOM 0 H ASN A 18 2.304 0.684 -14.169 1.00 25.00 H new ATOM 0 HA ASN A 18 4.681 2.174 -13.881 1.00 25.00 H new ATOM 0 HB2 ASN A 18 2.319 2.491 -12.828 1.00 25.00 H new ATOM 0 HB3 ASN A 18 2.772 1.250 -11.678 1.00 25.00 H new ATOM 0 HD21 ASN A 18 4.267 3.542 -9.547 1.00 25.00 H new ATOM 0 HD22 ASN A 18 3.381 2.036 -9.805 1.00 25.00 H new ATOM 267 N TYR A 19 5.107 -0.798 -12.896 1.00 25.00 N ATOM 268 CA TYR A 19 6.133 -1.711 -12.353 1.00 25.00 C ATOM 269 C TYR A 19 7.385 -1.726 -13.235 1.00 25.00 C ATOM 270 O TYR A 19 8.391 -2.324 -12.879 1.00 25.00 O ATOM 271 CB TYR A 19 5.652 -3.153 -12.326 1.00 25.00 C ATOM 272 CG TYR A 19 4.713 -3.513 -11.197 1.00 25.00 C ATOM 273 CD1 TYR A 19 3.346 -3.190 -11.266 1.00 25.00 C ATOM 274 CD2 TYR A 19 5.181 -4.205 -10.068 1.00 25.00 C ATOM 275 CE1 TYR A 19 2.468 -3.564 -10.242 1.00 25.00 C ATOM 276 CE2 TYR A 19 4.292 -4.588 -9.032 1.00 25.00 C ATOM 277 CZ TYR A 19 2.939 -4.265 -9.149 1.00 25.00 C ATOM 278 OH TYR A 19 2.076 -4.637 -8.162 1.00 25.00 O ATOM 0 H TYR A 19 4.410 -1.250 -13.487 1.00 25.00 H new ATOM 0 HA TYR A 19 6.343 -1.342 -11.349 1.00 25.00 H new ATOM 0 HB2 TYR A 19 5.153 -3.367 -13.271 1.00 25.00 H new ATOM 0 HB3 TYR A 19 6.523 -3.806 -12.271 1.00 25.00 H new ATOM 0 HD1 TYR A 19 2.969 -2.647 -12.120 1.00 25.00 H new ATOM 0 HD2 TYR A 19 6.230 -4.448 -9.988 1.00 25.00 H new ATOM 0 HE1 TYR A 19 1.422 -3.304 -10.307 1.00 25.00 H new ATOM 0 HE2 TYR A 19 4.656 -5.121 -8.166 1.00 25.00 H new ATOM 0 HH TYR A 19 1.830 -5.578 -8.280 1.00 25.00 H new ATOM 288 N CYS A 20 7.290 -1.136 -14.416 1.00 25.00 N ATOM 289 CA CYS A 20 8.357 -1.206 -15.400 1.00 25.00 C ATOM 290 C CYS A 20 9.023 0.164 -15.599 1.00 25.00 C ATOM 291 O CYS A 20 8.665 1.150 -14.949 1.00 25.00 O ATOM 292 CB CYS A 20 7.824 -1.761 -16.725 1.00 25.00 C ATOM 293 SG CYS A 20 8.470 -3.448 -17.047 1.00 25.00 S ATOM 0 H CYS A 20 6.477 -0.599 -14.718 1.00 25.00 H new ATOM 0 HA CYS A 20 9.122 -1.887 -15.026 1.00 25.00 H new ATOM 0 HB2 CYS A 20 6.735 -1.785 -16.700 1.00 25.00 H new ATOM 0 HB3 CYS A 20 8.110 -1.098 -17.541 1.00 25.00 H new ATOM 298 N ASN A 21 10.063 0.184 -16.435 1.00 25.00 N ATOM 299 CA ASN A 21 10.882 1.380 -16.672 1.00 25.00 C ATOM 300 C ASN A 21 10.412 2.069 -17.937 1.00 25.00 C ATOM 301 O ASN A 21 10.694 3.277 -18.065 1.00 25.00 O ATOM 302 CB ASN A 21 12.379 1.002 -16.806 1.00 25.00 C ATOM 303 CG ASN A 21 12.657 0.057 -17.987 1.00 25.00 C ATOM 304 OD1 ASN A 21 13.218 0.447 -18.991 1.00 25.00 O ATOM 305 ND2 ASN A 21 12.330 -1.204 -17.826 1.00 25.00 N ATOM 306 OXT ASN A 21 9.779 1.392 -18.781 1.00 25.00 O ATOM 0 H ASN A 21 10.364 -0.631 -16.970 1.00 25.00 H new ATOM 0 HA ASN A 21 10.772 2.054 -15.823 1.00 25.00 H new ATOM 0 HB2 ASN A 21 12.968 1.911 -16.929 1.00 25.00 H new ATOM 0 HB3 ASN A 21 12.712 0.528 -15.883 1.00 25.00 H new ATOM 0 HD21 ASN A 21 12.547 -1.884 -18.555 1.00 25.00 H new ATOM 0 HD22 ASN A 21 11.859 -1.504 -16.972 1.00 25.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 -3.150 -7.351 -23.013 1.00 25.00 N ATOM 315 CA PHE B 1 -3.549 -7.546 -21.590 1.00 25.00 C ATOM 316 C PHE B 1 -5.079 -7.577 -21.463 1.00 25.00 C ATOM 317 O PHE B 1 -5.737 -6.807 -22.131 1.00 25.00 O ATOM 318 CB PHE B 1 -2.962 -6.439 -20.724 1.00 25.00 C ATOM 319 CG PHE B 1 -3.072 -6.713 -19.265 1.00 25.00 C ATOM 320 CD1 PHE B 1 -2.703 -7.965 -18.746 1.00 25.00 C ATOM 321 CD2 PHE B 1 -3.591 -5.735 -18.405 1.00 25.00 C ATOM 322 CE1 PHE B 1 -2.862 -8.255 -17.398 1.00 25.00 C ATOM 323 CE2 PHE B 1 -3.748 -5.990 -17.026 1.00 25.00 C ATOM 324 CZ PHE B 1 -3.395 -7.268 -16.519 1.00 25.00 C ATOM 0 H1 PHE B 1 -2.419 -6.613 -23.071 1.00 25.00 H new ATOM 0 H2 PHE B 1 -2.773 -8.242 -23.393 1.00 25.00 H new ATOM 0 H3 PHE B 1 -3.979 -7.061 -23.570 1.00 25.00 H new ATOM 0 HA PHE B 1 -3.157 -8.502 -21.244 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -1.912 -6.303 -20.983 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -3.471 -5.502 -20.950 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -2.289 -8.713 -19.406 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -3.875 -4.772 -18.804 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -2.583 -9.226 -17.016 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -4.131 -5.225 -16.367 1.00 25.00 H new ATOM 0 HZ PHE B 1 -3.530 -7.492 -15.471 1.00 25.00 H new ATOM 336 N VAL B 2 -5.630 -8.448 -20.612 1.00 25.00 N ATOM 337 CA VAL B 2 -7.096 -8.538 -20.458 1.00 25.00 C ATOM 338 C VAL B 2 -7.627 -7.859 -19.194 1.00 25.00 C ATOM 339 O VAL B 2 -8.830 -7.792 -18.979 1.00 25.00 O ATOM 340 CB VAL B 2 -7.563 -10.025 -20.475 1.00 25.00 C ATOM 341 CG1 VAL B 2 -7.241 -10.659 -21.851 1.00 25.00 C ATOM 342 CG2 VAL B 2 -6.888 -10.840 -19.350 1.00 25.00 C ATOM 0 H VAL B 2 -5.099 -9.093 -20.026 1.00 25.00 H new ATOM 0 HA VAL B 2 -7.511 -8.000 -21.310 1.00 25.00 H new ATOM 0 HB VAL B 2 -8.640 -10.044 -20.305 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -7.569 -11.698 -21.858 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -7.760 -10.109 -22.636 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -6.166 -10.616 -22.029 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -7.235 -11.872 -19.390 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -5.806 -10.816 -19.482 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -7.145 -10.408 -18.383 1.00 25.00 H new ATOM 352 N ASN B 3 -6.719 -7.298 -18.410 1.00 25.00 N ATOM 353 CA ASN B 3 -7.073 -6.506 -17.229 1.00 25.00 C ATOM 354 C ASN B 3 -8.005 -7.164 -16.215 1.00 25.00 C ATOM 355 O ASN B 3 -9.165 -6.787 -16.082 1.00 25.00 O ATOM 356 CB ASN B 3 -7.655 -5.161 -17.682 1.00 25.00 C ATOM 357 CG ASN B 3 -7.588 -4.125 -16.612 1.00 25.00 C ATOM 358 OD1 ASN B 3 -6.632 -4.068 -15.872 1.00 25.00 O ATOM 359 ND2 ASN B 3 -8.581 -3.287 -16.534 1.00 25.00 N ATOM 0 H ASN B 3 -5.715 -7.376 -18.570 1.00 25.00 H new ATOM 0 HA ASN B 3 -6.137 -6.388 -16.683 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -7.111 -4.810 -18.559 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -8.693 -5.300 -17.985 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -8.571 -2.549 -15.830 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -9.369 -3.369 -17.177 1.00 25.00 H new ATOM 366 N GLN B 4 -7.480 -8.134 -15.477 1.00 25.00 N ATOM 367 CA GLN B 4 -8.242 -8.881 -14.470 1.00 25.00 C ATOM 368 C GLN B 4 -7.492 -8.889 -13.126 1.00 25.00 C ATOM 369 O GLN B 4 -6.432 -8.258 -13.011 1.00 25.00 O ATOM 370 CB GLN B 4 -8.489 -10.305 -14.980 1.00 25.00 C ATOM 371 CG GLN B 4 -7.222 -11.140 -15.216 1.00 25.00 C ATOM 372 CD GLN B 4 -7.545 -12.503 -15.776 1.00 25.00 C ATOM 373 OE1 GLN B 4 -8.686 -12.861 -15.962 1.00 25.00 O ATOM 374 NE2 GLN B 4 -6.531 -13.281 -16.015 1.00 25.00 N ATOM 0 H GLN B 4 -6.507 -8.431 -15.557 1.00 25.00 H new ATOM 0 HA GLN B 4 -9.204 -8.397 -14.304 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -9.121 -10.827 -14.262 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -9.048 -10.248 -15.914 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -6.562 -10.612 -15.904 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -6.680 -11.252 -14.277 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -5.582 -12.948 -15.847 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -6.685 -14.225 -16.370 1.00 25.00 H new ATOM 383 N HIS B 5 -8.020 -9.602 -12.139 1.00 25.00 N ATOM 384 CA HIS B 5 -7.343 -9.776 -10.838 1.00 25.00 C ATOM 385 C HIS B 5 -6.135 -10.670 -11.070 1.00 25.00 C ATOM 386 O HIS B 5 -6.247 -11.667 -11.790 1.00 25.00 O ATOM 387 CB HIS B 5 -8.245 -10.504 -9.823 1.00 25.00 C ATOM 388 CG HIS B 5 -9.311 -9.651 -9.206 1.00 25.00 C ATOM 389 ND1 HIS B 5 -10.411 -9.155 -9.876 1.00 25.00 N ATOM 390 CD2 HIS B 5 -9.456 -9.215 -7.931 1.00 25.00 C ATOM 391 CE1 HIS B 5 -11.138 -8.434 -9.017 1.00 25.00 C ATOM 392 NE2 HIS B 5 -10.604 -8.445 -7.812 1.00 25.00 N ATOM 0 H HIS B 5 -8.921 -10.076 -12.205 1.00 25.00 H new ATOM 0 HA HIS B 5 -7.083 -8.792 -10.447 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -8.719 -11.350 -10.321 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -7.620 -10.911 -9.028 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -8.775 -9.436 -7.123 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -12.046 -7.910 -9.277 1.00 25.00 H new ATOM 0 HE2 HIS B 5 -10.958 -7.986 -6.973 1.00 25.00 H new ATOM 400 N LEU B 6 -4.999 -10.330 -10.490 1.00 25.00 N ATOM 401 CA LEU B 6 -3.782 -11.141 -10.653 1.00 25.00 C ATOM 402 C LEU B 6 -3.044 -11.186 -9.319 1.00 25.00 C ATOM 403 O LEU B 6 -2.773 -10.155 -8.714 1.00 25.00 O ATOM 404 CB LEU B 6 -2.843 -10.507 -11.668 1.00 25.00 C ATOM 405 CG LEU B 6 -3.347 -10.280 -13.102 1.00 25.00 C ATOM 406 CD1 LEU B 6 -2.311 -9.416 -13.794 1.00 25.00 C ATOM 407 CD2 LEU B 6 -3.552 -11.573 -13.871 1.00 25.00 C ATOM 0 H LEU B 6 -4.882 -9.504 -9.903 1.00 25.00 H new ATOM 0 HA LEU B 6 -4.073 -12.136 -10.990 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -2.531 -9.541 -11.271 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -1.951 -11.130 -11.727 1.00 25.00 H new ATOM 0 HG LEU B 6 -4.325 -9.801 -13.069 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -2.624 -9.225 -14.821 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -2.213 -8.469 -13.263 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -1.351 -9.932 -13.797 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -3.908 -11.346 -14.876 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -2.607 -12.112 -13.934 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -4.288 -12.190 -13.356 1.00 25.00 H new ATOM 419 N CYS B 7 -2.695 -12.382 -8.886 1.00 25.00 N ATOM 420 CA CYS B 7 -1.937 -12.546 -7.643 1.00 25.00 C ATOM 421 C CYS B 7 -1.160 -13.871 -7.629 1.00 25.00 C ATOM 422 O CYS B 7 0.070 -13.892 -7.621 1.00 25.00 O ATOM 423 CB CYS B 7 -2.910 -12.482 -6.453 1.00 25.00 C ATOM 424 SG CYS B 7 -2.144 -11.848 -4.931 1.00 25.00 S ATOM 0 H CYS B 7 -2.918 -13.254 -9.366 1.00 25.00 H new ATOM 0 HA CYS B 7 -1.206 -11.741 -7.568 1.00 25.00 H new ATOM 0 HB2 CYS B 7 -3.755 -11.847 -6.718 1.00 25.00 H new ATOM 0 HB3 CYS B 7 -3.307 -13.479 -6.263 1.00 25.00 H new ATOM 429 N GLY B 8 -1.887 -14.976 -7.694 1.00 25.00 N ATOM 430 CA GLY B 8 -1.280 -16.298 -7.697 1.00 25.00 C ATOM 431 C GLY B 8 -0.548 -16.611 -8.987 1.00 25.00 C ATOM 432 O GLY B 8 -1.137 -17.139 -9.903 1.00 25.00 O ATOM 0 H GLY B 8 -2.906 -14.982 -7.746 1.00 25.00 H new ATOM 0 HA2 GLY B 8 -0.583 -16.373 -6.863 1.00 25.00 H new ATOM 0 HA3 GLY B 8 -2.054 -17.048 -7.534 1.00 25.00 H new ATOM 436 N SER B 9 0.740 -16.299 -9.013 1.00 25.00 N ATOM 437 CA SER B 9 1.662 -16.575 -10.140 1.00 25.00 C ATOM 438 C SER B 9 1.339 -15.935 -11.501 1.00 25.00 C ATOM 439 O SER B 9 2.090 -16.124 -12.456 1.00 25.00 O ATOM 440 CB SER B 9 1.794 -18.093 -10.317 1.00 25.00 C ATOM 441 OG SER B 9 2.984 -18.470 -10.985 1.00 25.00 O ATOM 0 H SER B 9 1.201 -15.831 -8.232 1.00 25.00 H new ATOM 0 HA SER B 9 2.592 -16.092 -9.841 1.00 25.00 H new ATOM 0 HB2 SER B 9 1.766 -18.571 -9.338 1.00 25.00 H new ATOM 0 HB3 SER B 9 0.936 -18.464 -10.878 1.00 25.00 H new ATOM 0 HG SER B 9 3.162 -17.842 -11.716 1.00 25.00 H new ATOM 447 N HIS B 10 0.267 -15.154 -11.602 1.00 25.00 N ATOM 448 CA HIS B 10 -0.159 -14.568 -12.882 1.00 25.00 C ATOM 449 C HIS B 10 0.355 -13.151 -13.106 1.00 25.00 C ATOM 450 O HIS B 10 0.364 -12.638 -14.234 1.00 25.00 O ATOM 451 CB HIS B 10 -1.686 -14.576 -12.942 1.00 25.00 C ATOM 452 CG HIS B 10 -2.278 -15.929 -12.772 1.00 25.00 C ATOM 453 ND1 HIS B 10 -3.460 -16.192 -12.109 1.00 25.00 N ATOM 454 CD2 HIS B 10 -1.827 -17.158 -13.179 1.00 25.00 C ATOM 455 CE1 HIS B 10 -3.669 -17.499 -12.121 1.00 25.00 C ATOM 456 NE2 HIS B 10 -2.718 -18.137 -12.760 1.00 25.00 N ATOM 0 H HIS B 10 -0.329 -14.908 -10.812 1.00 25.00 H new ATOM 0 HA HIS B 10 0.273 -15.178 -13.675 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -2.076 -13.917 -12.166 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -2.006 -14.165 -13.899 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -0.920 -17.337 -13.738 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -4.519 -17.981 -11.661 1.00 25.00 H new ATOM 0 HE2 HIS B 10 -2.648 -19.142 -12.917 1.00 25.00 H new ATOM 464 N LEU B 11 0.800 -12.496 -12.041 1.00 25.00 N ATOM 465 CA LEU B 11 1.297 -11.121 -12.192 1.00 25.00 C ATOM 466 C LEU B 11 2.580 -11.168 -12.996 1.00 25.00 C ATOM 467 O LEU B 11 2.848 -10.293 -13.801 1.00 25.00 O ATOM 468 CB LEU B 11 1.577 -10.468 -10.832 1.00 25.00 C ATOM 469 CG LEU B 11 2.004 -8.973 -10.865 1.00 25.00 C ATOM 470 CD1 LEU B 11 0.961 -8.105 -11.564 1.00 25.00 C ATOM 471 CD2 LEU B 11 2.233 -8.468 -9.438 1.00 25.00 C ATOM 0 H LEU B 11 0.831 -12.871 -11.093 1.00 25.00 H new ATOM 0 HA LEU B 11 0.536 -10.526 -12.696 1.00 25.00 H new ATOM 0 HB2 LEU B 11 0.680 -10.555 -10.219 1.00 25.00 H new ATOM 0 HB3 LEU B 11 2.361 -11.038 -10.333 1.00 25.00 H new ATOM 0 HG LEU B 11 2.931 -8.901 -11.433 1.00 25.00 H new ATOM 0 HD11 LEU B 11 1.294 -7.067 -11.567 1.00 25.00 H new ATOM 0 HD12 LEU B 11 0.831 -8.448 -12.591 1.00 25.00 H new ATOM 0 HD13 LEU B 11 0.011 -8.179 -11.034 1.00 25.00 H new ATOM 0 HD21 LEU B 11 2.532 -7.420 -9.466 1.00 25.00 H new ATOM 0 HD22 LEU B 11 1.311 -8.567 -8.865 1.00 25.00 H new ATOM 0 HD23 LEU B 11 3.019 -9.057 -8.965 1.00 25.00 H new ATOM 483 N VAL B 12 3.348 -12.227 -12.798 1.00 25.00 N ATOM 484 CA VAL B 12 4.616 -12.387 -13.504 1.00 25.00 C ATOM 485 C VAL B 12 4.385 -12.484 -15.008 1.00 25.00 C ATOM 486 O VAL B 12 5.057 -11.825 -15.777 1.00 25.00 O ATOM 487 CB VAL B 12 5.400 -13.625 -12.993 1.00 25.00 C ATOM 488 CG1 VAL B 12 6.774 -13.735 -13.673 1.00 25.00 C ATOM 489 CG2 VAL B 12 5.596 -13.540 -11.469 1.00 25.00 C ATOM 0 H VAL B 12 3.120 -12.988 -12.158 1.00 25.00 H new ATOM 0 HA VAL B 12 5.221 -11.504 -13.300 1.00 25.00 H new ATOM 0 HB VAL B 12 4.815 -14.511 -13.241 1.00 25.00 H new ATOM 0 HG11 VAL B 12 7.298 -14.612 -13.294 1.00 25.00 H new ATOM 0 HG12 VAL B 12 6.640 -13.830 -14.751 1.00 25.00 H new ATOM 0 HG13 VAL B 12 7.359 -12.841 -13.458 1.00 25.00 H new ATOM 0 HG21 VAL B 12 6.147 -14.415 -11.124 1.00 25.00 H new ATOM 0 HG22 VAL B 12 6.156 -12.638 -11.224 1.00 25.00 H new ATOM 0 HG23 VAL B 12 4.623 -13.507 -10.978 1.00 25.00 H new ATOM 499 N GLU B 13 3.406 -13.268 -15.419 1.00 25.00 N ATOM 500 CA GLU B 13 3.093 -13.399 -16.843 1.00 25.00 C ATOM 501 C GLU B 13 2.558 -12.084 -17.403 1.00 25.00 C ATOM 502 O GLU B 13 2.920 -11.680 -18.494 1.00 25.00 O ATOM 503 CB GLU B 13 2.046 -14.489 -17.084 1.00 25.00 C ATOM 504 CG GLU B 13 2.591 -15.895 -16.984 1.00 25.00 C ATOM 505 CD GLU B 13 1.715 -16.885 -17.751 1.00 25.00 C ATOM 506 OE1 GLU B 13 0.465 -16.816 -17.648 1.00 25.00 O ATOM 507 OE2 GLU B 13 2.292 -17.683 -18.514 1.00 25.00 O ATOM 0 H GLU B 13 2.815 -13.822 -14.799 1.00 25.00 H new ATOM 0 HA GLU B 13 4.020 -13.669 -17.349 1.00 25.00 H new ATOM 0 HB2 GLU B 13 1.239 -14.370 -16.361 1.00 25.00 H new ATOM 0 HB3 GLU B 13 1.610 -14.348 -18.073 1.00 25.00 H new ATOM 0 HG2 GLU B 13 3.607 -15.923 -17.379 1.00 25.00 H new ATOM 0 HG3 GLU B 13 2.648 -16.192 -15.937 1.00 25.00 H new ATOM 514 N ALA B 14 1.714 -11.400 -16.640 1.00 25.00 N ATOM 515 CA ALA B 14 1.200 -10.116 -17.068 1.00 25.00 C ATOM 516 C ALA B 14 2.367 -9.144 -17.353 1.00 25.00 C ATOM 517 O ALA B 14 2.414 -8.520 -18.395 1.00 25.00 O ATOM 518 CB ALA B 14 0.279 -9.558 -16.031 1.00 25.00 C ATOM 0 H ALA B 14 1.376 -11.714 -15.730 1.00 25.00 H new ATOM 0 HA ALA B 14 0.634 -10.248 -17.990 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -0.101 -8.592 -16.364 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -0.555 -10.243 -15.878 1.00 25.00 H new ATOM 0 HB3 ALA B 14 0.821 -9.431 -15.094 1.00 25.00 H new ATOM 524 N LEU B 15 3.313 -9.064 -16.432 1.00 25.00 N ATOM 525 CA LEU B 15 4.463 -8.171 -16.603 1.00 25.00 C ATOM 526 C LEU B 15 5.319 -8.584 -17.793 1.00 25.00 C ATOM 527 O LEU B 15 5.778 -7.745 -18.554 1.00 25.00 O ATOM 528 CB LEU B 15 5.304 -8.160 -15.327 1.00 25.00 C ATOM 529 CG LEU B 15 4.660 -7.499 -14.101 1.00 25.00 C ATOM 530 CD1 LEU B 15 5.378 -7.926 -12.819 1.00 25.00 C ATOM 531 CD2 LEU B 15 4.716 -5.987 -14.251 1.00 25.00 C ATOM 0 H LEU B 15 3.315 -9.599 -15.563 1.00 25.00 H new ATOM 0 HA LEU B 15 4.086 -7.167 -16.799 1.00 25.00 H new ATOM 0 HB2 LEU B 15 5.553 -9.190 -15.071 1.00 25.00 H new ATOM 0 HB3 LEU B 15 6.243 -7.649 -15.539 1.00 25.00 H new ATOM 0 HG LEU B 15 3.620 -7.819 -14.034 1.00 25.00 H new ATOM 0 HD11 LEU B 15 4.907 -7.447 -11.961 1.00 25.00 H new ATOM 0 HD12 LEU B 15 5.315 -9.009 -12.710 1.00 25.00 H new ATOM 0 HD13 LEU B 15 6.425 -7.627 -12.872 1.00 25.00 H new ATOM 0 HD21 LEU B 15 4.258 -5.518 -13.380 1.00 25.00 H new ATOM 0 HD22 LEU B 15 5.755 -5.668 -14.331 1.00 25.00 H new ATOM 0 HD23 LEU B 15 4.175 -5.690 -15.149 1.00 25.00 H new ATOM 543 N TYR B 16 5.514 -9.884 -17.962 1.00 25.00 N ATOM 544 CA TYR B 16 6.291 -10.433 -19.074 1.00 25.00 C ATOM 545 C TYR B 16 5.674 -10.023 -20.423 1.00 25.00 C ATOM 546 O TYR B 16 6.391 -9.695 -21.367 1.00 25.00 O ATOM 547 CB TYR B 16 6.313 -11.960 -18.942 1.00 25.00 C ATOM 548 CG TYR B 16 7.318 -12.686 -19.811 1.00 25.00 C ATOM 549 CD1 TYR B 16 7.119 -12.839 -21.197 1.00 25.00 C ATOM 550 CD2 TYR B 16 8.489 -13.255 -19.245 1.00 25.00 C ATOM 551 CE1 TYR B 16 8.044 -13.530 -21.995 1.00 25.00 C ATOM 552 CE2 TYR B 16 9.422 -13.946 -20.043 1.00 25.00 C ATOM 553 CZ TYR B 16 9.195 -14.083 -21.412 1.00 25.00 C ATOM 554 OH TYR B 16 10.094 -14.769 -22.177 1.00 25.00 O ATOM 0 H TYR B 16 5.138 -10.593 -17.332 1.00 25.00 H new ATOM 0 HA TYR B 16 7.307 -10.040 -19.040 1.00 25.00 H new ATOM 0 HB2 TYR B 16 6.513 -12.212 -17.901 1.00 25.00 H new ATOM 0 HB3 TYR B 16 5.318 -12.340 -19.176 1.00 25.00 H new ATOM 0 HD1 TYR B 16 6.237 -12.416 -21.655 1.00 25.00 H new ATOM 0 HD2 TYR B 16 8.668 -13.156 -18.184 1.00 25.00 H new ATOM 0 HE1 TYR B 16 7.871 -13.636 -23.056 1.00 25.00 H new ATOM 0 HE2 TYR B 16 10.310 -14.368 -19.596 1.00 25.00 H new ATOM 0 HH TYR B 16 10.832 -15.082 -21.613 1.00 25.00 H new ATOM 564 N LEU B 17 4.351 -10.072 -20.505 1.00 25.00 N ATOM 565 CA LEU B 17 3.633 -9.759 -21.735 1.00 25.00 C ATOM 566 C LEU B 17 3.510 -8.265 -22.015 1.00 25.00 C ATOM 567 O LEU B 17 3.547 -7.850 -23.165 1.00 25.00 O ATOM 568 CB LEU B 17 2.208 -10.356 -21.655 1.00 25.00 C ATOM 569 CG LEU B 17 2.116 -11.882 -21.814 1.00 25.00 C ATOM 570 CD1 LEU B 17 0.790 -12.411 -21.297 1.00 25.00 C ATOM 571 CD2 LEU B 17 2.269 -12.257 -23.318 1.00 25.00 C ATOM 0 H LEU B 17 3.747 -10.329 -19.724 1.00 25.00 H new ATOM 0 HA LEU B 17 4.215 -10.192 -22.548 1.00 25.00 H new ATOM 0 HB2 LEU B 17 1.772 -10.082 -20.694 1.00 25.00 H new ATOM 0 HB3 LEU B 17 1.595 -9.891 -22.427 1.00 25.00 H new ATOM 0 HG LEU B 17 2.917 -12.334 -21.230 1.00 25.00 H new ATOM 0 HD11 LEU B 17 0.756 -13.493 -21.423 1.00 25.00 H new ATOM 0 HD12 LEU B 17 0.688 -12.166 -20.240 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -0.027 -11.954 -21.856 1.00 25.00 H new ATOM 0 HD21 LEU B 17 2.204 -13.339 -23.432 1.00 25.00 H new ATOM 0 HD22 LEU B 17 1.474 -11.783 -23.894 1.00 25.00 H new ATOM 0 HD23 LEU B 17 3.236 -11.911 -23.683 1.00 25.00 H new ATOM 583 N VAL B 18 3.295 -7.467 -20.978 1.00 25.00 N ATOM 584 CA VAL B 18 3.046 -6.034 -21.166 1.00 25.00 C ATOM 585 C VAL B 18 4.329 -5.231 -21.311 1.00 25.00 C ATOM 586 O VAL B 18 4.421 -4.386 -22.187 1.00 25.00 O ATOM 587 CB VAL B 18 2.194 -5.439 -19.997 1.00 25.00 C ATOM 588 CG1 VAL B 18 1.988 -3.924 -20.170 1.00 25.00 C ATOM 589 CG2 VAL B 18 0.812 -6.131 -19.937 1.00 25.00 C ATOM 0 H VAL B 18 3.287 -7.777 -20.006 1.00 25.00 H new ATOM 0 HA VAL B 18 2.486 -5.952 -22.098 1.00 25.00 H new ATOM 0 HB VAL B 18 2.739 -5.616 -19.070 1.00 25.00 H new ATOM 0 HG11 VAL B 18 1.392 -3.541 -19.342 1.00 25.00 H new ATOM 0 HG12 VAL B 18 2.957 -3.424 -20.182 1.00 25.00 H new ATOM 0 HG13 VAL B 18 1.469 -3.732 -21.109 1.00 25.00 H new ATOM 0 HG21 VAL B 18 0.229 -5.708 -19.119 1.00 25.00 H new ATOM 0 HG22 VAL B 18 0.285 -5.974 -20.878 1.00 25.00 H new ATOM 0 HG23 VAL B 18 0.947 -7.200 -19.771 1.00 25.00 H new ATOM 599 N CYS B 19 5.335 -5.518 -20.495 1.00 25.00 N ATOM 600 CA CYS B 19 6.633 -4.816 -20.635 1.00 25.00 C ATOM 601 C CYS B 19 7.333 -5.270 -21.925 1.00 25.00 C ATOM 602 O CYS B 19 8.082 -4.511 -22.529 1.00 25.00 O ATOM 603 CB CYS B 19 7.557 -5.076 -19.422 1.00 25.00 C ATOM 604 SG CYS B 19 6.913 -4.500 -17.820 1.00 25.00 S ATOM 0 H CYS B 19 5.296 -6.209 -19.746 1.00 25.00 H new ATOM 0 HA CYS B 19 6.431 -3.746 -20.679 1.00 25.00 H new ATOM 0 HB2 CYS B 19 7.749 -6.147 -19.355 1.00 25.00 H new ATOM 0 HB3 CYS B 19 8.516 -4.591 -19.606 1.00 25.00 H new ATOM 609 N GLY B 20 7.063 -6.509 -22.316 1.00 25.00 N ATOM 610 CA GLY B 20 7.690 -7.098 -23.490 1.00 25.00 C ATOM 611 C GLY B 20 9.050 -7.697 -23.171 1.00 25.00 C ATOM 612 O GLY B 20 9.971 -6.968 -22.868 1.00 25.00 O ATOM 0 H GLY B 20 6.411 -7.127 -21.834 1.00 25.00 H new ATOM 0 HA2 GLY B 20 7.040 -7.872 -23.898 1.00 25.00 H new ATOM 0 HA3 GLY B 20 7.802 -6.336 -24.262 1.00 25.00 H new ATOM 616 N GLU B 21 9.165 -9.027 -23.219 1.00 25.00 N ATOM 617 CA GLU B 21 10.448 -9.734 -22.998 1.00 25.00 C ATOM 618 C GLU B 21 11.122 -9.411 -21.636 1.00 25.00 C ATOM 619 O GLU B 21 12.350 -9.537 -21.486 1.00 25.00 O ATOM 620 CB GLU B 21 11.415 -9.467 -24.176 1.00 25.00 C ATOM 621 CG GLU B 21 10.920 -10.106 -25.491 1.00 25.00 C ATOM 622 CD GLU B 21 10.620 -9.092 -26.584 1.00 25.00 C ATOM 623 OE1 GLU B 21 9.739 -8.228 -26.388 1.00 25.00 O ATOM 624 OE2 GLU B 21 11.192 -9.238 -27.688 1.00 25.00 O ATOM 0 H GLU B 21 8.380 -9.650 -23.411 1.00 25.00 H new ATOM 0 HA GLU B 21 10.209 -10.797 -22.956 1.00 25.00 H new ATOM 0 HB2 GLU B 21 11.527 -8.392 -24.316 1.00 25.00 H new ATOM 0 HB3 GLU B 21 12.401 -9.861 -23.931 1.00 25.00 H new ATOM 0 HG2 GLU B 21 11.674 -10.805 -25.852 1.00 25.00 H new ATOM 0 HG3 GLU B 21 10.020 -10.686 -25.287 1.00 25.00 H new ATOM 631 N ARG B 22 10.281 -9.074 -20.656 1.00 25.00 N ATOM 632 CA ARG B 22 10.652 -8.712 -19.261 1.00 25.00 C ATOM 633 C ARG B 22 11.173 -7.277 -19.183 1.00 25.00 C ATOM 634 O ARG B 22 11.071 -6.539 -20.126 1.00 25.00 O ATOM 635 CB ARG B 22 11.642 -9.691 -18.627 1.00 25.00 C ATOM 636 CG ARG B 22 11.169 -11.145 -18.649 1.00 25.00 C ATOM 637 CD ARG B 22 12.245 -12.090 -18.116 1.00 25.00 C ATOM 638 NE ARG B 22 13.328 -12.236 -19.097 1.00 25.00 N ATOM 639 CZ ARG B 22 13.777 -13.375 -19.610 1.00 25.00 C ATOM 640 NH1 ARG B 22 13.302 -14.551 -19.262 1.00 25.00 N ATOM 641 NH2 ARG B 22 14.735 -13.331 -20.495 1.00 25.00 N ATOM 0 H ARG B 22 9.273 -9.040 -20.807 1.00 25.00 H new ATOM 0 HA ARG B 22 9.735 -8.781 -18.675 1.00 25.00 H new ATOM 0 HB2 ARG B 22 12.595 -9.620 -19.151 1.00 25.00 H new ATOM 0 HB3 ARG B 22 11.823 -9.393 -17.594 1.00 25.00 H new ATOM 0 HG2 ARG B 22 10.265 -11.244 -18.048 1.00 25.00 H new ATOM 0 HG3 ARG B 22 10.906 -11.428 -19.668 1.00 25.00 H new ATOM 0 HD2 ARG B 22 12.645 -11.705 -17.178 1.00 25.00 H new ATOM 0 HD3 ARG B 22 11.808 -13.065 -17.900 1.00 25.00 H new ATOM 0 HE ARG B 22 13.779 -11.378 -19.415 1.00 25.00 H new ATOM 0 HH11 ARG B 22 12.556 -14.615 -18.570 1.00 25.00 H new ATOM 0 HH12 ARG B 22 13.680 -15.399 -19.685 1.00 25.00 H new ATOM 0 HH21 ARG B 22 15.125 -12.433 -20.780 1.00 25.00 H new ATOM 0 HH22 ARG B 22 15.094 -14.195 -20.901 1.00 25.00 H new ATOM 655 N GLY B 23 11.624 -6.882 -17.999 1.00 25.00 N ATOM 656 CA GLY B 23 12.050 -5.500 -17.771 1.00 25.00 C ATOM 657 C GLY B 23 11.721 -5.039 -16.361 1.00 25.00 C ATOM 658 O GLY B 23 12.380 -4.188 -15.794 1.00 25.00 O ATOM 0 H GLY B 23 11.705 -7.491 -17.185 1.00 25.00 H new ATOM 0 HA2 GLY B 23 13.124 -5.417 -17.940 1.00 25.00 H new ATOM 0 HA3 GLY B 23 11.562 -4.844 -18.492 1.00 25.00 H new ATOM 662 N PHE B 24 10.711 -5.677 -15.798 1.00 25.00 N ATOM 663 CA PHE B 24 10.204 -5.390 -14.460 1.00 25.00 C ATOM 664 C PHE B 24 11.080 -5.869 -13.298 1.00 25.00 C ATOM 665 O PHE B 24 10.893 -5.435 -12.183 1.00 25.00 O ATOM 666 CB PHE B 24 8.843 -6.073 -14.334 1.00 25.00 C ATOM 667 CG PHE B 24 8.874 -7.548 -14.615 1.00 25.00 C ATOM 668 CD1 PHE B 24 8.676 -8.034 -15.929 1.00 25.00 C ATOM 669 CD2 PHE B 24 9.104 -8.472 -13.584 1.00 25.00 C ATOM 670 CE1 PHE B 24 8.686 -9.415 -16.190 1.00 25.00 C ATOM 671 CE2 PHE B 24 9.120 -9.867 -13.850 1.00 25.00 C ATOM 672 CZ PHE B 24 8.899 -10.330 -15.153 1.00 25.00 C ATOM 0 H PHE B 24 10.205 -6.429 -16.267 1.00 25.00 H new ATOM 0 HA PHE B 24 10.172 -4.304 -14.374 1.00 25.00 H new ATOM 0 HB2 PHE B 24 8.459 -5.913 -13.326 1.00 25.00 H new ATOM 0 HB3 PHE B 24 8.143 -5.597 -15.021 1.00 25.00 H new ATOM 0 HD1 PHE B 24 8.516 -7.338 -16.739 1.00 25.00 H new ATOM 0 HD2 PHE B 24 9.271 -8.118 -12.577 1.00 25.00 H new ATOM 0 HE1 PHE B 24 8.528 -9.772 -17.197 1.00 25.00 H new ATOM 0 HE2 PHE B 24 9.302 -10.569 -13.050 1.00 25.00 H new ATOM 0 HZ PHE B 24 8.893 -11.391 -15.357 1.00 25.00 H new ATOM 682 N PHE B 25 11.982 -6.807 -13.576 1.00 25.00 N ATOM 683 CA PHE B 25 12.832 -7.474 -12.562 1.00 25.00 C ATOM 684 C PHE B 25 12.095 -7.991 -11.303 1.00 25.00 C ATOM 685 O PHE B 25 11.908 -7.267 -10.319 1.00 25.00 O ATOM 686 CB PHE B 25 14.001 -6.554 -12.144 1.00 25.00 C ATOM 687 CG PHE B 25 15.040 -7.256 -11.293 1.00 25.00 C ATOM 688 CD1 PHE B 25 16.084 -7.996 -11.885 1.00 25.00 C ATOM 689 CD2 PHE B 25 14.959 -7.195 -9.882 1.00 25.00 C ATOM 690 CE1 PHE B 25 17.060 -8.660 -11.077 1.00 25.00 C ATOM 691 CE2 PHE B 25 15.922 -7.846 -9.075 1.00 25.00 C ATOM 692 CZ PHE B 25 16.976 -8.575 -9.675 1.00 25.00 C ATOM 0 H PHE B 25 12.155 -7.139 -14.525 1.00 25.00 H new ATOM 0 HA PHE B 25 13.201 -8.368 -13.064 1.00 25.00 H new ATOM 0 HB2 PHE B 25 14.481 -6.158 -13.039 1.00 25.00 H new ATOM 0 HB3 PHE B 25 13.604 -5.702 -11.592 1.00 25.00 H new ATOM 0 HD1 PHE B 25 16.148 -8.062 -12.961 1.00 25.00 H new ATOM 0 HD2 PHE B 25 14.154 -6.646 -9.416 1.00 25.00 H new ATOM 0 HE1 PHE B 25 17.857 -9.223 -11.540 1.00 25.00 H new ATOM 0 HE2 PHE B 25 15.852 -7.786 -7.999 1.00 25.00 H new ATOM 0 HZ PHE B 25 17.715 -9.065 -9.058 1.00 25.00 H new HETATM 702 N NVA B 26 11.740 -9.299 -11.291 1.00 25.00 N HETATM 703 CA NVA B 26 11.176 -9.959 -10.068 1.00 25.00 C HETATM 704 CB NVA B 26 10.317 -11.240 -10.351 1.00 25.00 C HETATM 705 CG NVA B 26 11.144 -12.485 -10.788 1.00 25.00 C HETATM 706 CD NVA B 26 10.258 -13.743 -11.003 1.00 25.00 C HETATM 707 C NVA B 26 12.241 -10.219 -8.972 1.00 25.00 C HETATM 708 O NVA B 26 13.402 -10.502 -9.216 1.00 25.00 O HETATM 0 HG3 NVA B 26 11.676 -12.257 -11.712 1.00 25.00 H new HETATM 0 HG2 NVA B 26 11.898 -12.701 -10.031 1.00 25.00 H new HETATM 0 HD2 NVA B 26 9.521 -13.541 -11.780 1.00 25.00 H new HETATM 0 HB3 NVA B 26 9.753 -11.491 -9.452 1.00 25.00 H new HETATM 0 HB2 NVA B 26 9.590 -11.010 -11.130 1.00 25.00 H new HETATM 0 HA NVA B 26 10.477 -9.220 -9.676 1.00 25.00 H new HETATM 0 H NVA B 26 11.552 -9.690 -12.214 1.00 25.00 H new ATOM 717 N THR B 27 11.770 -10.129 -7.711 1.00 25.00 N ATOM 718 CA THR B 27 12.532 -10.497 -6.514 1.00 25.00 C ATOM 719 C THR B 27 12.729 -12.017 -6.559 1.00 25.00 C ATOM 720 O THR B 27 11.984 -12.708 -7.239 1.00 25.00 O ATOM 721 CB THR B 27 11.756 -10.085 -5.242 1.00 25.00 C ATOM 722 OG1 THR B 27 10.399 -10.529 -5.346 1.00 25.00 O ATOM 723 CG2 THR B 27 11.767 -8.566 -5.073 1.00 25.00 C ATOM 0 H THR B 27 10.831 -9.791 -7.499 1.00 25.00 H new ATOM 0 HA THR B 27 13.495 -9.986 -6.489 1.00 25.00 H new ATOM 0 HB THR B 27 12.238 -10.544 -4.379 1.00 25.00 H new ATOM 0 HG1 THR B 27 9.907 -10.270 -4.539 1.00 25.00 H new ATOM 0 HG21 THR B 27 11.216 -8.296 -4.172 1.00 25.00 H new ATOM 0 HG22 THR B 27 12.796 -8.217 -4.987 1.00 25.00 H new ATOM 0 HG23 THR B 27 11.297 -8.100 -5.939 1.00 25.00 H new ATOM 731 N PRO B 28 13.714 -12.553 -5.812 1.00 25.00 N ATOM 732 CA PRO B 28 13.865 -14.012 -5.895 1.00 25.00 C ATOM 733 C PRO B 28 12.637 -14.753 -5.373 1.00 25.00 C ATOM 734 O PRO B 28 12.031 -14.379 -4.360 1.00 25.00 O ATOM 735 CB PRO B 28 15.106 -14.281 -5.029 1.00 25.00 C ATOM 736 CG PRO B 28 15.151 -13.155 -4.081 1.00 25.00 C ATOM 737 CD PRO B 28 14.721 -11.963 -4.907 1.00 25.00 C ATOM 0 HA PRO B 28 13.972 -14.366 -6.920 1.00 25.00 H new ATOM 0 HB2 PRO B 28 15.026 -15.235 -4.508 1.00 25.00 H new ATOM 0 HB3 PRO B 28 16.011 -14.324 -5.636 1.00 25.00 H new ATOM 0 HG2 PRO B 28 14.482 -13.318 -3.236 1.00 25.00 H new ATOM 0 HG3 PRO B 28 16.152 -13.017 -3.672 1.00 25.00 H new ATOM 0 HD2 PRO B 28 14.298 -11.171 -4.289 1.00 25.00 H new ATOM 0 HD3 PRO B 28 15.555 -11.527 -5.456 1.00 25.00 H new HETATM 745 N HIX B 29 12.286 -15.816 -6.122 1.00 25.00 N HETATM 746 CA HIX B 29 11.188 -16.728 -5.814 1.00 25.00 C HETATM 747 C HIX B 29 11.717 -18.159 -5.726 1.00 25.00 C HETATM 748 O HIX B 29 11.943 -18.840 -6.715 1.00 25.00 O HETATM 749 CB HIX B 29 9.966 -16.574 -6.777 1.00 25.00 C HETATM 750 CG HIX B 29 10.312 -16.012 -8.154 1.00 25.00 C HETATM 751 CD2 HIX B 29 10.043 -14.817 -8.632 1.00 25.00 C HETATM 752 ND1 HIX B 29 10.932 -16.724 -9.138 1.00 25.00 N HETATM 753 NE1 HIX B 29 11.254 -15.902 -10.277 1.00 25.00 N HETATM 754 NE2 HIX B 29 10.469 -14.755 -9.923 1.00 25.00 N ATOM 762 N THR B 30 12.019 -18.559 -4.473 1.00 25.00 N ATOM 763 CA THR B 30 12.597 -19.846 -4.076 1.00 25.00 C ATOM 764 C THR B 30 12.043 -20.120 -2.706 1.00 25.00 C ATOM 765 O THR B 30 11.744 -21.284 -2.378 1.00 25.00 O ATOM 766 CB THR B 30 14.141 -19.753 -4.000 1.00 25.00 C ATOM 767 OG1 THR B 30 14.646 -19.273 -5.254 1.00 25.00 O ATOM 768 CG2 THR B 30 14.758 -21.122 -3.735 1.00 25.00 C ATOM 769 OXT THR B 30 11.817 -19.107 -2.010 1.00 25.00 O ATOM 0 H THR B 30 11.854 -17.952 -3.670 1.00 25.00 H new ATOM 0 HA THR B 30 12.354 -20.631 -4.792 1.00 25.00 H new ATOM 0 HB THR B 30 14.402 -19.076 -3.186 1.00 25.00 H new ATOM 0 HG1 THR B 30 15.623 -19.211 -5.211 1.00 25.00 H new ATOM 0 HG21 THR B 30 15.843 -21.029 -3.686 1.00 25.00 H new ATOM 0 HG22 THR B 30 14.384 -21.512 -2.788 1.00 25.00 H new ATOM 0 HG23 THR B 30 14.488 -21.805 -4.541 1.00 25.00 H new TER 777 THR B 30