USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 441 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 NoAdj-H: A 34 HIS HD1 : A 34 HIS ND1 : A1061 ZNZN :(H bumps) USER MOD Set 1.1: A 45 SER OG : rot -36:sc= 0.409 USER MOD Set 1.2: A 47 ASN : amide:sc= -0.904 K(o=-0.49,f=-2.6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.0139 X(o=-0.014,f=0) USER MOD Single : A 18 ASN :FLIP amide:sc= -0.838 F(o=-1.4,f=-0.84) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN :FLIP amide:sc= -2.51 F(o=-3.3,f=-2.5) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -114:sc= 1.15 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 97:sc= 0.743 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.0141 X(o=-0.014,f=-0.086) USER MOD Single : A 57 TYR OH : rot 115:sc= -0.0544! USER MOD Single : A 58 ASN : amide:sc= -0.0654 K(o=-0.065,f=-2.3!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.698 9.666 15.660 1.00 0.00 N ATOM 2 CA MET A 1 10.418 8.820 14.463 1.00 0.00 C ATOM 3 C MET A 1 11.531 8.988 13.425 1.00 0.00 C ATOM 4 O MET A 1 11.314 9.506 12.348 1.00 0.00 O ATOM 5 CB MET A 1 9.089 9.337 13.915 1.00 0.00 C ATOM 6 CG MET A 1 8.244 8.159 13.426 1.00 0.00 C ATOM 7 SD MET A 1 7.364 8.632 11.917 1.00 0.00 S ATOM 8 CE MET A 1 7.393 7.007 11.121 1.00 0.00 C ATOM 0 H1 MET A 1 9.936 9.544 16.357 1.00 0.00 H new ATOM 0 H2 MET A 1 11.604 9.380 16.083 1.00 0.00 H new ATOM 0 H3 MET A 1 10.749 10.665 15.375 1.00 0.00 H new ATOM 0 HA MET A 1 10.371 7.759 14.708 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.553 9.886 14.690 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.268 10.034 13.096 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.881 7.296 13.233 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.533 7.863 14.197 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.893 7.066 10.154 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.426 6.691 10.977 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.877 6.283 11.752 1.00 0.00 H new ATOM 20 N GLU A 2 12.721 8.557 13.742 1.00 0.00 N ATOM 21 CA GLU A 2 13.847 8.695 12.773 1.00 0.00 C ATOM 22 C GLU A 2 14.276 7.322 12.249 1.00 0.00 C ATOM 23 O GLU A 2 14.910 7.212 11.219 1.00 0.00 O ATOM 24 CB GLU A 2 14.980 9.337 13.574 1.00 0.00 C ATOM 25 CG GLU A 2 15.431 10.623 12.880 1.00 0.00 C ATOM 26 CD GLU A 2 16.827 11.006 13.372 1.00 0.00 C ATOM 27 OE1 GLU A 2 17.071 10.876 14.560 1.00 0.00 O ATOM 28 OE2 GLU A 2 17.629 11.424 12.552 1.00 0.00 O ATOM 0 H GLU A 2 12.963 8.116 14.629 1.00 0.00 H new ATOM 0 HA GLU A 2 13.568 9.291 11.904 1.00 0.00 H new ATOM 0 HB2 GLU A 2 14.644 9.557 14.587 1.00 0.00 H new ATOM 0 HB3 GLU A 2 15.817 8.644 13.659 1.00 0.00 H new ATOM 0 HG2 GLU A 2 15.441 10.481 11.799 1.00 0.00 H new ATOM 0 HG3 GLU A 2 14.727 11.428 13.089 1.00 0.00 H new ATOM 35 N ASP A 3 13.938 6.274 12.950 1.00 0.00 N ATOM 36 CA ASP A 3 14.334 4.914 12.487 1.00 0.00 C ATOM 37 C ASP A 3 13.154 4.219 11.799 1.00 0.00 C ATOM 38 O ASP A 3 12.189 4.848 11.415 1.00 0.00 O ATOM 39 CB ASP A 3 14.739 4.163 13.757 1.00 0.00 C ATOM 40 CG ASP A 3 16.183 4.517 14.117 1.00 0.00 C ATOM 41 OD1 ASP A 3 16.642 5.562 13.685 1.00 0.00 O ATOM 42 OD2 ASP A 3 16.807 3.737 14.819 1.00 0.00 O ATOM 0 H ASP A 3 13.407 6.301 13.820 1.00 0.00 H new ATOM 0 HA ASP A 3 15.145 4.947 11.759 1.00 0.00 H new ATOM 0 HB2 ASP A 3 14.072 4.428 14.578 1.00 0.00 H new ATOM 0 HB3 ASP A 3 14.644 3.088 13.603 1.00 0.00 H new ATOM 47 N GLU A 4 13.230 2.927 11.635 1.00 0.00 N ATOM 48 CA GLU A 4 12.119 2.190 10.965 1.00 0.00 C ATOM 49 C GLU A 4 10.771 2.569 11.588 1.00 0.00 C ATOM 50 O GLU A 4 9.893 3.081 10.923 1.00 0.00 O ATOM 51 CB GLU A 4 12.424 0.711 11.207 1.00 0.00 C ATOM 52 CG GLU A 4 13.714 0.332 10.478 1.00 0.00 C ATOM 53 CD GLU A 4 13.992 -1.160 10.671 1.00 0.00 C ATOM 54 OE1 GLU A 4 13.096 -1.856 11.121 1.00 0.00 O ATOM 55 OE2 GLU A 4 15.096 -1.581 10.367 1.00 0.00 O ATOM 0 H GLU A 4 14.014 2.348 11.936 1.00 0.00 H new ATOM 0 HA GLU A 4 12.051 2.427 9.903 1.00 0.00 H new ATOM 0 HB2 GLU A 4 12.527 0.520 12.275 1.00 0.00 H new ATOM 0 HB3 GLU A 4 11.598 0.095 10.851 1.00 0.00 H new ATOM 0 HG2 GLU A 4 13.625 0.561 9.416 1.00 0.00 H new ATOM 0 HG3 GLU A 4 14.547 0.920 10.862 1.00 0.00 H new ATOM 62 N ASP A 5 10.600 2.320 12.858 1.00 0.00 N ATOM 63 CA ASP A 5 9.306 2.663 13.515 1.00 0.00 C ATOM 64 C ASP A 5 8.139 2.059 12.729 1.00 0.00 C ATOM 65 O ASP A 5 8.333 1.333 11.774 1.00 0.00 O ATOM 66 CB ASP A 5 9.239 4.191 13.487 1.00 0.00 C ATOM 67 CG ASP A 5 9.205 4.729 14.918 1.00 0.00 C ATOM 68 OD1 ASP A 5 8.305 4.353 15.650 1.00 0.00 O ATOM 69 OD2 ASP A 5 10.081 5.509 15.257 1.00 0.00 O ATOM 0 H ASP A 5 11.298 1.895 13.468 1.00 0.00 H new ATOM 0 HA ASP A 5 9.241 2.272 14.530 1.00 0.00 H new ATOM 0 HB2 ASP A 5 10.102 4.593 12.957 1.00 0.00 H new ATOM 0 HB3 ASP A 5 8.352 4.516 12.944 1.00 0.00 H new ATOM 74 N VAL A 6 6.929 2.351 13.122 1.00 0.00 N ATOM 75 CA VAL A 6 5.753 1.792 12.395 1.00 0.00 C ATOM 76 C VAL A 6 5.459 2.626 11.141 1.00 0.00 C ATOM 77 O VAL A 6 5.393 3.837 11.203 1.00 0.00 O ATOM 78 CB VAL A 6 4.593 1.886 13.388 1.00 0.00 C ATOM 79 CG1 VAL A 6 3.265 1.737 12.646 1.00 0.00 C ATOM 80 CG2 VAL A 6 4.722 0.770 14.428 1.00 0.00 C ATOM 0 H VAL A 6 6.704 2.952 13.915 1.00 0.00 H new ATOM 0 HA VAL A 6 5.922 0.768 12.061 1.00 0.00 H new ATOM 0 HB VAL A 6 4.622 2.856 13.885 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.441 1.805 13.357 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.171 2.531 11.905 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.234 0.769 12.146 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.896 0.836 15.136 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.695 -0.198 13.928 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.667 0.877 14.961 1.00 0.00 H new ATOM 90 N PRO A 7 5.295 1.943 10.038 1.00 0.00 N ATOM 91 CA PRO A 7 5.007 2.624 8.750 1.00 0.00 C ATOM 92 C PRO A 7 3.561 3.132 8.718 1.00 0.00 C ATOM 93 O PRO A 7 2.718 2.695 9.479 1.00 0.00 O ATOM 94 CB PRO A 7 5.210 1.530 7.711 1.00 0.00 C ATOM 95 CG PRO A 7 4.977 0.251 8.447 1.00 0.00 C ATOM 96 CD PRO A 7 5.366 0.486 9.884 1.00 0.00 C ATOM 0 HA PRO A 7 5.641 3.494 8.581 1.00 0.00 H new ATOM 0 HB2 PRO A 7 4.513 1.640 6.880 1.00 0.00 H new ATOM 0 HB3 PRO A 7 6.215 1.566 7.291 1.00 0.00 H new ATOM 0 HG2 PRO A 7 3.931 -0.049 8.376 1.00 0.00 H new ATOM 0 HG3 PRO A 7 5.570 -0.555 8.015 1.00 0.00 H new ATOM 0 HD2 PRO A 7 4.687 -0.021 10.569 1.00 0.00 H new ATOM 0 HD3 PRO A 7 6.368 0.111 10.093 1.00 0.00 H new ATOM 104 N VAL A 8 3.270 4.052 7.839 1.00 0.00 N ATOM 105 CA VAL A 8 1.881 4.593 7.753 1.00 0.00 C ATOM 106 C VAL A 8 1.365 4.519 6.315 1.00 0.00 C ATOM 107 O VAL A 8 2.105 4.700 5.368 1.00 0.00 O ATOM 108 CB VAL A 8 1.988 6.049 8.213 1.00 0.00 C ATOM 109 CG1 VAL A 8 0.599 6.567 8.591 1.00 0.00 C ATOM 110 CG2 VAL A 8 2.908 6.140 9.435 1.00 0.00 C ATOM 0 H VAL A 8 3.933 4.453 7.176 1.00 0.00 H new ATOM 0 HA VAL A 8 1.183 4.024 8.366 1.00 0.00 H new ATOM 0 HB VAL A 8 2.399 6.651 7.403 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.674 7.604 8.919 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.060 6.507 7.725 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.192 5.960 9.399 1.00 0.00 H new ATOM 0 HG21 VAL A 8 2.981 7.178 9.759 1.00 0.00 H new ATOM 0 HG22 VAL A 8 2.499 5.535 10.244 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.899 5.771 9.172 1.00 0.00 H new ATOM 120 N CYS A 9 0.098 4.254 6.147 1.00 0.00 N ATOM 121 CA CYS A 9 -0.470 4.168 4.773 1.00 0.00 C ATOM 122 C CYS A 9 -0.528 5.563 4.148 1.00 0.00 C ATOM 123 O CYS A 9 -1.238 6.434 4.607 1.00 0.00 O ATOM 124 CB CYS A 9 -1.872 3.587 4.956 1.00 0.00 C ATOM 125 SG CYS A 9 -2.813 3.791 3.424 1.00 0.00 S ATOM 0 H CYS A 9 -0.568 4.093 6.903 1.00 0.00 H new ATOM 0 HA CYS A 9 0.132 3.549 4.108 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.808 2.531 5.219 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.381 4.090 5.778 1.00 0.00 H new ATOM 130 N TRP A 10 0.230 5.780 3.114 1.00 0.00 N ATOM 131 CA TRP A 10 0.253 7.116 2.450 1.00 0.00 C ATOM 132 C TRP A 10 -1.144 7.528 1.966 1.00 0.00 C ATOM 133 O TRP A 10 -1.389 8.681 1.674 1.00 0.00 O ATOM 134 CB TRP A 10 1.185 6.923 1.258 1.00 0.00 C ATOM 135 CG TRP A 10 0.621 5.862 0.369 1.00 0.00 C ATOM 136 CD1 TRP A 10 0.840 4.530 0.503 1.00 0.00 C ATOM 137 CD2 TRP A 10 -0.257 6.017 -0.783 1.00 0.00 C ATOM 138 NE1 TRP A 10 0.153 3.864 -0.496 1.00 0.00 N ATOM 139 CE2 TRP A 10 -0.537 4.737 -1.313 1.00 0.00 C ATOM 140 CE3 TRP A 10 -0.830 7.137 -1.413 1.00 0.00 C ATOM 141 CZ2 TRP A 10 -1.356 4.571 -2.430 1.00 0.00 C ATOM 142 CZ3 TRP A 10 -1.656 6.973 -2.538 1.00 0.00 C ATOM 143 CH2 TRP A 10 -1.918 5.693 -3.045 1.00 0.00 C ATOM 0 H TRP A 10 0.843 5.082 2.693 1.00 0.00 H new ATOM 0 HA TRP A 10 0.581 7.902 3.130 1.00 0.00 H new ATOM 0 HB2 TRP A 10 1.292 7.858 0.708 1.00 0.00 H new ATOM 0 HB3 TRP A 10 2.180 6.639 1.600 1.00 0.00 H new ATOM 0 HD1 TRP A 10 1.450 4.066 1.264 1.00 0.00 H new ATOM 0 HE1 TRP A 10 0.156 2.851 -0.615 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -0.634 8.128 -1.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -1.554 3.582 -2.817 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -2.092 7.839 -3.015 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -2.554 5.574 -3.910 1.00 0.00 H new ATOM 154 N ILE A 11 -2.058 6.603 1.859 1.00 0.00 N ATOM 155 CA ILE A 11 -3.424 6.963 1.371 1.00 0.00 C ATOM 156 C ILE A 11 -4.241 7.650 2.472 1.00 0.00 C ATOM 157 O ILE A 11 -4.716 8.755 2.299 1.00 0.00 O ATOM 158 CB ILE A 11 -4.066 5.634 0.973 1.00 0.00 C ATOM 159 CG1 ILE A 11 -3.081 4.845 0.105 1.00 0.00 C ATOM 160 CG2 ILE A 11 -5.347 5.904 0.179 1.00 0.00 C ATOM 161 CD1 ILE A 11 -3.808 3.690 -0.586 1.00 0.00 C ATOM 0 H ILE A 11 -1.922 5.618 2.086 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.383 7.666 0.539 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.311 5.059 1.866 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.632 5.502 -0.640 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.268 4.459 0.720 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.805 4.957 -0.105 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.043 6.474 0.794 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.106 6.474 -0.718 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.102 3.132 -1.202 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.236 3.027 0.166 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.605 4.086 -1.215 1.00 0.00 H new ATOM 173 N CYS A 12 -4.417 7.009 3.594 1.00 0.00 N ATOM 174 CA CYS A 12 -5.213 7.636 4.691 1.00 0.00 C ATOM 175 C CYS A 12 -4.287 8.230 5.754 1.00 0.00 C ATOM 176 O CYS A 12 -4.732 8.733 6.767 1.00 0.00 O ATOM 177 CB CYS A 12 -6.044 6.496 5.278 1.00 0.00 C ATOM 178 SG CYS A 12 -4.942 5.222 5.935 1.00 0.00 S ATOM 0 H CYS A 12 -4.046 6.081 3.800 1.00 0.00 H new ATOM 0 HA CYS A 12 -5.837 8.453 4.329 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -6.692 6.874 6.069 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -6.691 6.071 4.511 1.00 0.00 H new ATOM 183 N ASN A 13 -3.003 8.177 5.534 1.00 0.00 N ATOM 184 CA ASN A 13 -2.048 8.737 6.534 1.00 0.00 C ATOM 185 C ASN A 13 -2.275 8.092 7.904 1.00 0.00 C ATOM 186 O ASN A 13 -2.457 8.769 8.895 1.00 0.00 O ATOM 187 CB ASN A 13 -2.360 10.233 6.588 1.00 0.00 C ATOM 188 CG ASN A 13 -1.840 10.909 5.319 1.00 0.00 C ATOM 189 OD1 ASN A 13 -0.743 11.433 5.302 1.00 0.00 O ATOM 190 ND2 ASN A 13 -2.586 10.922 4.249 1.00 0.00 N ATOM 0 H ASN A 13 -2.572 7.770 4.704 1.00 0.00 H new ATOM 0 HA ASN A 13 -1.010 8.547 6.262 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.435 10.388 6.681 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.896 10.680 7.467 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.249 11.372 3.398 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -3.506 10.482 4.264 1.00 0.00 H new ATOM 197 N GLU A 14 -2.268 6.787 7.968 1.00 0.00 N ATOM 198 CA GLU A 14 -2.484 6.106 9.277 1.00 0.00 C ATOM 199 C GLU A 14 -1.526 4.920 9.423 1.00 0.00 C ATOM 200 O GLU A 14 -1.333 4.151 8.505 1.00 0.00 O ATOM 201 CB GLU A 14 -3.934 5.619 9.236 1.00 0.00 C ATOM 202 CG GLU A 14 -4.180 4.657 10.399 1.00 0.00 C ATOM 203 CD GLU A 14 -5.657 4.701 10.795 1.00 0.00 C ATOM 204 OE1 GLU A 14 -6.380 5.499 10.221 1.00 0.00 O ATOM 205 OE2 GLU A 14 -6.041 3.937 11.664 1.00 0.00 O ATOM 0 H GLU A 14 -2.122 6.165 7.173 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.299 6.770 10.122 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.616 6.467 9.301 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.135 5.120 8.288 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.900 3.644 10.112 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.556 4.931 11.250 1.00 0.00 H new ATOM 212 N GLU A 15 -0.929 4.767 10.574 1.00 0.00 N ATOM 213 CA GLU A 15 0.013 3.630 10.780 1.00 0.00 C ATOM 214 C GLU A 15 -0.699 2.305 10.524 1.00 0.00 C ATOM 215 O GLU A 15 -1.844 2.121 10.887 1.00 0.00 O ATOM 216 CB GLU A 15 0.447 3.731 12.243 1.00 0.00 C ATOM 217 CG GLU A 15 1.768 4.498 12.330 1.00 0.00 C ATOM 218 CD GLU A 15 1.494 5.942 12.755 1.00 0.00 C ATOM 219 OE1 GLU A 15 0.362 6.230 13.108 1.00 0.00 O ATOM 220 OE2 GLU A 15 2.420 6.735 12.719 1.00 0.00 O ATOM 0 H GLU A 15 -1.053 5.380 11.380 1.00 0.00 H new ATOM 0 HA GLU A 15 0.864 3.671 10.100 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.320 4.239 12.827 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.564 2.734 12.669 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.433 4.017 13.047 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.274 4.482 11.365 1.00 0.00 H new ATOM 227 N LEU A 16 -0.029 1.381 9.899 1.00 0.00 N ATOM 228 CA LEU A 16 -0.667 0.068 9.617 1.00 0.00 C ATOM 229 C LEU A 16 0.173 -1.059 10.227 1.00 0.00 C ATOM 230 O LEU A 16 -0.237 -2.202 10.268 1.00 0.00 O ATOM 231 CB LEU A 16 -0.721 -0.033 8.087 1.00 0.00 C ATOM 232 CG LEU A 16 0.627 0.363 7.475 1.00 0.00 C ATOM 233 CD1 LEU A 16 0.827 -0.399 6.169 1.00 0.00 C ATOM 234 CD2 LEU A 16 0.649 1.861 7.164 1.00 0.00 C ATOM 0 H LEU A 16 0.932 1.478 9.571 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.664 -0.018 10.050 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.976 -1.051 7.793 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.507 0.616 7.701 1.00 0.00 H new ATOM 0 HG LEU A 16 1.418 0.125 8.186 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.785 -0.121 5.729 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.816 -1.471 6.368 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.023 -0.150 5.476 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.612 2.128 6.730 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.146 2.097 6.457 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.496 2.426 8.084 1.00 0.00 H new ATOM 246 N GLY A 17 1.345 -0.739 10.713 1.00 0.00 N ATOM 247 CA GLY A 17 2.213 -1.780 11.336 1.00 0.00 C ATOM 248 C GLY A 17 3.072 -2.461 10.268 1.00 0.00 C ATOM 249 O GLY A 17 4.149 -2.935 10.561 1.00 0.00 O ATOM 0 H GLY A 17 1.738 0.202 10.705 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.853 -1.325 12.092 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.596 -2.521 11.844 1.00 0.00 H new ATOM 253 N ASN A 18 2.573 -2.512 9.044 1.00 0.00 N ATOM 254 CA ASN A 18 3.278 -3.157 7.878 1.00 0.00 C ATOM 255 C ASN A 18 2.401 -4.292 7.367 1.00 0.00 C ATOM 256 O ASN A 18 2.818 -5.430 7.280 1.00 0.00 O ATOM 257 CB ASN A 18 4.628 -3.704 8.354 1.00 0.00 C ATOM 258 CG ASN A 18 5.377 -4.316 7.170 1.00 0.00 C ATOM 259 OD1 ASN A 18 5.349 -5.608 6.991 1.00 0.00 O flip ATOM 260 ND2 ASN A 18 5.995 -3.610 6.397 1.00 0.00 N flip ATOM 0 H ASN A 18 1.666 -2.114 8.799 1.00 0.00 H new ATOM 0 HA ASN A 18 3.452 -2.437 7.079 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.220 -2.904 8.798 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.475 -4.455 9.129 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.018 -2.600 6.536 1.00 0.00 H new ATOM 0 HD22 ASN A 18 6.491 -4.028 5.610 1.00 0.00 H new ATOM 267 N GLU A 19 1.175 -3.987 7.040 1.00 0.00 N ATOM 268 CA GLU A 19 0.250 -5.041 6.547 1.00 0.00 C ATOM 269 C GLU A 19 0.829 -5.699 5.298 1.00 0.00 C ATOM 270 O GLU A 19 1.144 -5.045 4.324 1.00 0.00 O ATOM 271 CB GLU A 19 -1.048 -4.303 6.216 1.00 0.00 C ATOM 272 CG GLU A 19 -1.939 -4.255 7.458 1.00 0.00 C ATOM 273 CD GLU A 19 -2.807 -5.514 7.512 1.00 0.00 C ATOM 274 OE1 GLU A 19 -2.341 -6.551 7.069 1.00 0.00 O ATOM 275 OE2 GLU A 19 -3.923 -5.419 7.996 1.00 0.00 O ATOM 0 H GLU A 19 0.775 -3.050 7.094 1.00 0.00 H new ATOM 0 HA GLU A 19 0.091 -5.833 7.279 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.827 -3.292 5.875 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.568 -4.807 5.402 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.326 -4.184 8.356 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.570 -3.366 7.432 1.00 0.00 H new ATOM 282 N ARG A 20 0.978 -6.990 5.327 1.00 0.00 N ATOM 283 CA ARG A 20 1.545 -7.699 4.148 1.00 0.00 C ATOM 284 C ARG A 20 0.644 -7.501 2.929 1.00 0.00 C ATOM 285 O ARG A 20 -0.353 -8.174 2.758 1.00 0.00 O ATOM 286 CB ARG A 20 1.590 -9.172 4.549 1.00 0.00 C ATOM 287 CG ARG A 20 2.872 -9.806 4.007 1.00 0.00 C ATOM 288 CD ARG A 20 4.060 -9.358 4.859 1.00 0.00 C ATOM 289 NE ARG A 20 4.353 -10.518 5.745 1.00 0.00 N ATOM 290 CZ ARG A 20 5.487 -10.579 6.388 1.00 0.00 C ATOM 291 NH1 ARG A 20 5.565 -10.140 7.614 1.00 0.00 N ATOM 292 NH2 ARG A 20 6.541 -11.079 5.804 1.00 0.00 N ATOM 0 H ARG A 20 0.732 -7.587 6.116 1.00 0.00 H new ATOM 0 HA ARG A 20 2.532 -7.323 3.878 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.555 -9.266 5.634 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.718 -9.694 4.155 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.788 -10.893 4.023 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.024 -9.513 2.968 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.920 -9.108 4.238 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.817 -8.468 5.440 1.00 0.00 H new ATOM 0 HE ARG A 20 3.667 -11.266 5.850 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.740 -9.749 8.069 1.00 0.00 H new ATOM 0 HH12 ARG A 20 6.451 -10.187 8.117 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.478 -11.422 4.845 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.428 -11.127 6.306 1.00 0.00 H new ATOM 306 N PHE A 21 0.995 -6.575 2.081 1.00 0.00 N ATOM 307 CA PHE A 21 0.177 -6.314 0.866 1.00 0.00 C ATOM 308 C PHE A 21 1.100 -5.938 -0.296 1.00 0.00 C ATOM 309 O PHE A 21 1.602 -4.834 -0.371 1.00 0.00 O ATOM 310 CB PHE A 21 -0.725 -5.138 1.253 1.00 0.00 C ATOM 311 CG PHE A 21 -1.428 -4.588 0.031 1.00 0.00 C ATOM 312 CD1 PHE A 21 -1.544 -5.360 -1.132 1.00 0.00 C ATOM 313 CD2 PHE A 21 -1.969 -3.298 0.069 1.00 0.00 C ATOM 314 CE1 PHE A 21 -2.199 -4.838 -2.256 1.00 0.00 C ATOM 315 CE2 PHE A 21 -2.623 -2.778 -1.053 1.00 0.00 C ATOM 316 CZ PHE A 21 -2.740 -3.546 -2.215 1.00 0.00 C ATOM 0 H PHE A 21 1.820 -5.984 2.179 1.00 0.00 H new ATOM 0 HA PHE A 21 -0.405 -7.178 0.546 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.461 -5.463 1.988 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -0.130 -4.354 1.722 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.129 -6.357 -1.163 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -1.881 -2.703 0.966 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.287 -5.432 -3.154 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.038 -1.781 -1.021 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.247 -3.144 -3.080 1.00 0.00 H new ATOM 326 N ARG A 22 1.337 -6.852 -1.196 1.00 0.00 N ATOM 327 CA ARG A 22 2.239 -6.551 -2.344 1.00 0.00 C ATOM 328 C ARG A 22 1.541 -5.613 -3.329 1.00 0.00 C ATOM 329 O ARG A 22 0.654 -6.011 -4.057 1.00 0.00 O ATOM 330 CB ARG A 22 2.514 -7.908 -2.995 1.00 0.00 C ATOM 331 CG ARG A 22 3.152 -7.699 -4.370 1.00 0.00 C ATOM 332 CD ARG A 22 3.155 -9.022 -5.137 1.00 0.00 C ATOM 333 NE ARG A 22 4.534 -9.146 -5.686 1.00 0.00 N ATOM 334 CZ ARG A 22 4.786 -10.018 -6.624 1.00 0.00 C ATOM 335 NH1 ARG A 22 5.202 -9.616 -7.794 1.00 0.00 N ATOM 336 NH2 ARG A 22 4.619 -11.291 -6.390 1.00 0.00 N ATOM 0 H ARG A 22 0.946 -7.794 -1.187 1.00 0.00 H new ATOM 0 HA ARG A 22 3.158 -6.056 -2.032 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.176 -8.499 -2.362 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.585 -8.469 -3.096 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.599 -6.944 -4.928 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.171 -7.329 -4.257 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.914 -9.859 -4.481 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.412 -9.018 -5.934 1.00 0.00 H new ATOM 0 HE ARG A 22 5.281 -8.550 -5.329 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.330 -8.620 -7.975 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.399 -10.297 -8.527 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.292 -11.603 -5.476 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.815 -11.974 -7.122 1.00 0.00 H new ATOM 350 N ALA A 23 1.933 -4.369 -3.353 1.00 0.00 N ATOM 351 CA ALA A 23 1.288 -3.402 -4.287 1.00 0.00 C ATOM 352 C ALA A 23 2.331 -2.475 -4.916 1.00 0.00 C ATOM 353 O ALA A 23 2.188 -2.041 -6.042 1.00 0.00 O ATOM 354 CB ALA A 23 0.318 -2.604 -3.416 1.00 0.00 C ATOM 0 H ALA A 23 2.672 -3.980 -2.767 1.00 0.00 H new ATOM 0 HA ALA A 23 0.784 -3.906 -5.112 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.200 -1.867 -4.030 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.411 -3.280 -2.969 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.872 -2.095 -2.627 1.00 0.00 H new ATOM 360 N CYS A 24 3.378 -2.161 -4.202 1.00 0.00 N ATOM 361 CA CYS A 24 4.415 -1.257 -4.771 1.00 0.00 C ATOM 362 C CYS A 24 5.651 -1.231 -3.866 1.00 0.00 C ATOM 363 O CYS A 24 5.628 -1.698 -2.744 1.00 0.00 O ATOM 364 CB CYS A 24 3.726 0.116 -4.843 1.00 0.00 C ATOM 365 SG CYS A 24 4.930 1.464 -4.685 1.00 0.00 S ATOM 0 H CYS A 24 3.559 -2.490 -3.254 1.00 0.00 H new ATOM 0 HA CYS A 24 4.772 -1.577 -5.750 1.00 0.00 H new ATOM 0 HB2 CYS A 24 3.194 0.209 -5.790 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.982 0.195 -4.050 1.00 0.00 H new ATOM 370 N GLY A 25 6.725 -0.681 -4.356 1.00 0.00 N ATOM 371 CA GLY A 25 7.973 -0.605 -3.548 1.00 0.00 C ATOM 372 C GLY A 25 8.727 0.673 -3.917 1.00 0.00 C ATOM 373 O GLY A 25 9.885 0.640 -4.282 1.00 0.00 O ATOM 0 H GLY A 25 6.793 -0.277 -5.290 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.734 -0.607 -2.485 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.597 -1.478 -3.736 1.00 0.00 H new ATOM 377 N CYS A 26 8.073 1.799 -3.833 1.00 0.00 N ATOM 378 CA CYS A 26 8.746 3.082 -4.189 1.00 0.00 C ATOM 379 C CYS A 26 9.929 3.350 -3.251 1.00 0.00 C ATOM 380 O CYS A 26 10.991 2.780 -3.406 1.00 0.00 O ATOM 381 CB CYS A 26 7.667 4.154 -4.032 1.00 0.00 C ATOM 382 SG CYS A 26 6.748 4.314 -5.581 1.00 0.00 S ATOM 0 H CYS A 26 7.102 1.887 -3.533 1.00 0.00 H new ATOM 0 HA CYS A 26 9.154 3.065 -5.199 1.00 0.00 H new ATOM 0 HB2 CYS A 26 6.990 3.888 -3.221 1.00 0.00 H new ATOM 0 HB3 CYS A 26 8.123 5.108 -3.767 1.00 0.00 H new ATOM 387 N THR A 27 9.764 4.214 -2.282 1.00 0.00 N ATOM 388 CA THR A 27 10.893 4.507 -1.353 1.00 0.00 C ATOM 389 C THR A 27 10.452 4.339 0.104 1.00 0.00 C ATOM 390 O THR A 27 11.270 4.265 0.999 1.00 0.00 O ATOM 391 CB THR A 27 11.272 5.962 -1.636 1.00 0.00 C ATOM 392 OG1 THR A 27 10.096 6.718 -1.880 1.00 0.00 O ATOM 393 CG2 THR A 27 12.185 6.025 -2.862 1.00 0.00 C ATOM 0 H THR A 27 8.901 4.726 -2.096 1.00 0.00 H new ATOM 0 HA THR A 27 11.732 3.828 -1.504 1.00 0.00 H new ATOM 0 HB THR A 27 11.796 6.374 -0.774 1.00 0.00 H new ATOM 0 HG1 THR A 27 10.338 7.651 -2.060 1.00 0.00 H new ATOM 0 HG21 THR A 27 12.454 7.062 -3.062 1.00 0.00 H new ATOM 0 HG22 THR A 27 13.089 5.446 -2.673 1.00 0.00 H new ATOM 0 HG23 THR A 27 11.664 5.612 -3.726 1.00 0.00 H new ATOM 401 N GLY A 28 9.172 4.277 0.357 1.00 0.00 N ATOM 402 CA GLY A 28 8.713 4.113 1.765 1.00 0.00 C ATOM 403 C GLY A 28 7.216 4.419 1.882 1.00 0.00 C ATOM 404 O GLY A 28 6.430 3.571 2.255 1.00 0.00 O ATOM 0 H GLY A 28 8.432 4.332 -0.343 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.909 3.095 2.101 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.278 4.779 2.418 1.00 0.00 H new ATOM 408 N GLU A 29 6.816 5.627 1.587 1.00 0.00 N ATOM 409 CA GLU A 29 5.370 5.982 1.706 1.00 0.00 C ATOM 410 C GLU A 29 4.497 4.972 0.959 1.00 0.00 C ATOM 411 O GLU A 29 3.495 4.513 1.470 1.00 0.00 O ATOM 412 CB GLU A 29 5.239 7.374 1.084 1.00 0.00 C ATOM 413 CG GLU A 29 5.348 7.274 -0.439 1.00 0.00 C ATOM 414 CD GLU A 29 5.344 8.680 -1.044 1.00 0.00 C ATOM 415 OE1 GLU A 29 6.274 9.423 -0.774 1.00 0.00 O ATOM 416 OE2 GLU A 29 4.411 8.991 -1.766 1.00 0.00 O ATOM 0 H GLU A 29 7.425 6.382 1.270 1.00 0.00 H new ATOM 0 HA GLU A 29 5.038 5.969 2.744 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.283 7.817 1.361 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.019 8.030 1.471 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.263 6.750 -0.715 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.516 6.693 -0.837 1.00 0.00 H new ATOM 423 N LEU A 30 4.863 4.615 -0.240 1.00 0.00 N ATOM 424 CA LEU A 30 4.041 3.629 -0.996 1.00 0.00 C ATOM 425 C LEU A 30 4.430 2.212 -0.572 1.00 0.00 C ATOM 426 O LEU A 30 3.677 1.274 -0.736 1.00 0.00 O ATOM 427 CB LEU A 30 4.375 3.875 -2.469 1.00 0.00 C ATOM 428 CG LEU A 30 3.115 3.707 -3.326 1.00 0.00 C ATOM 429 CD1 LEU A 30 2.546 2.304 -3.136 1.00 0.00 C ATOM 430 CD2 LEU A 30 2.061 4.737 -2.911 1.00 0.00 C ATOM 0 H LEU A 30 5.690 4.960 -0.727 1.00 0.00 H new ATOM 0 HA LEU A 30 2.972 3.737 -0.810 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.780 4.879 -2.596 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.145 3.177 -2.798 1.00 0.00 H new ATOM 0 HG LEU A 30 3.378 3.857 -4.373 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.651 2.189 -3.747 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.289 1.566 -3.438 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.291 2.154 -2.087 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.169 4.612 -3.524 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.804 4.592 -1.862 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.459 5.742 -3.051 1.00 0.00 H new ATOM 442 N GLU A 31 5.599 2.056 -0.012 1.00 0.00 N ATOM 443 CA GLU A 31 6.034 0.704 0.437 1.00 0.00 C ATOM 444 C GLU A 31 5.004 0.125 1.411 1.00 0.00 C ATOM 445 O GLU A 31 4.521 -0.976 1.234 1.00 0.00 O ATOM 446 CB GLU A 31 7.373 0.932 1.137 1.00 0.00 C ATOM 447 CG GLU A 31 8.478 0.208 0.366 1.00 0.00 C ATOM 448 CD GLU A 31 8.505 -1.265 0.775 1.00 0.00 C ATOM 449 OE1 GLU A 31 8.640 -1.529 1.958 1.00 0.00 O ATOM 450 OE2 GLU A 31 8.391 -2.105 -0.104 1.00 0.00 O ATOM 0 H GLU A 31 6.270 2.806 0.154 1.00 0.00 H new ATOM 0 HA GLU A 31 6.126 -0.002 -0.388 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.591 1.999 1.191 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.328 0.563 2.162 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.305 0.295 -0.707 1.00 0.00 H new ATOM 0 HG3 GLU A 31 9.443 0.671 0.572 1.00 0.00 H new ATOM 457 N ASN A 32 4.654 0.860 2.433 1.00 0.00 N ATOM 458 CA ASN A 32 3.648 0.350 3.400 1.00 0.00 C ATOM 459 C ASN A 32 2.291 0.978 3.103 1.00 0.00 C ATOM 460 O ASN A 32 2.139 2.184 3.125 1.00 0.00 O ATOM 461 CB ASN A 32 4.144 0.810 4.767 1.00 0.00 C ATOM 462 CG ASN A 32 5.633 0.493 4.909 1.00 0.00 C ATOM 463 OD1 ASN A 32 6.489 1.476 4.992 1.00 0.00 O flip ATOM 464 ND2 ASN A 32 6.023 -0.657 4.944 1.00 0.00 N flip ATOM 0 H ASN A 32 5.022 1.789 2.637 1.00 0.00 H new ATOM 0 HA ASN A 32 3.533 -0.733 3.348 1.00 0.00 H new ATOM 0 HB2 ASN A 32 3.978 1.881 4.883 1.00 0.00 H new ATOM 0 HB3 ASN A 32 3.580 0.312 5.556 1.00 0.00 H new ATOM 0 HD21 ASN A 32 5.354 -1.424 4.879 1.00 0.00 H new ATOM 0 HD22 ASN A 32 7.019 -0.855 5.038 1.00 0.00 H new ATOM 471 N VAL A 33 1.301 0.183 2.828 1.00 0.00 N ATOM 472 CA VAL A 33 -0.032 0.766 2.535 1.00 0.00 C ATOM 473 C VAL A 33 -1.155 -0.181 2.952 1.00 0.00 C ATOM 474 O VAL A 33 -1.061 -1.384 2.808 1.00 0.00 O ATOM 475 CB VAL A 33 -0.053 0.983 1.028 1.00 0.00 C ATOM 476 CG1 VAL A 33 0.390 -0.293 0.311 1.00 0.00 C ATOM 477 CG2 VAL A 33 -1.474 1.341 0.605 1.00 0.00 C ATOM 0 H VAL A 33 1.355 -0.835 2.793 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.191 1.692 3.087 1.00 0.00 H new ATOM 0 HB VAL A 33 0.630 1.790 0.763 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.372 -0.130 -0.767 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.402 -0.553 0.622 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.288 -1.108 0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.504 1.499 -0.473 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.149 0.527 0.871 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.786 2.253 1.114 1.00 0.00 H new ATOM 487 N HIS A 34 -2.224 0.365 3.451 1.00 0.00 N ATOM 488 CA HIS A 34 -3.378 -0.478 3.865 1.00 0.00 C ATOM 489 C HIS A 34 -4.027 -1.120 2.637 1.00 0.00 C ATOM 490 O HIS A 34 -4.412 -0.440 1.703 1.00 0.00 O ATOM 491 CB HIS A 34 -4.347 0.508 4.501 1.00 0.00 C ATOM 492 CG HIS A 34 -4.067 0.642 5.964 1.00 0.00 C ATOM 493 ND1 HIS A 34 -3.998 1.892 6.582 1.00 0.00 N ATOM 494 CD2 HIS A 34 -3.829 -0.286 6.953 1.00 0.00 C ATOM 495 CE1 HIS A 34 -3.725 1.687 7.887 1.00 0.00 C ATOM 496 NE2 HIS A 34 -3.621 0.390 8.137 1.00 0.00 N ATOM 0 H HIS A 34 -2.350 1.367 3.592 1.00 0.00 H new ATOM 0 HA HIS A 34 -3.088 -1.285 4.538 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.257 1.480 4.016 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -5.372 0.170 4.350 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.809 -1.358 6.824 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -3.608 2.469 8.623 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -3.422 -0.033 9.044 1.00 0.00 H new ATOM 504 N ARG A 35 -4.167 -2.413 2.631 1.00 0.00 N ATOM 505 CA ARG A 35 -4.806 -3.083 1.464 1.00 0.00 C ATOM 506 C ARG A 35 -6.283 -2.696 1.390 1.00 0.00 C ATOM 507 O ARG A 35 -6.930 -2.844 0.372 1.00 0.00 O ATOM 508 CB ARG A 35 -4.662 -4.577 1.742 1.00 0.00 C ATOM 509 CG ARG A 35 -5.357 -5.372 0.638 1.00 0.00 C ATOM 510 CD ARG A 35 -4.580 -6.661 0.382 1.00 0.00 C ATOM 511 NE ARG A 35 -5.202 -7.671 1.281 1.00 0.00 N ATOM 512 CZ ARG A 35 -6.119 -8.480 0.820 1.00 0.00 C ATOM 513 NH1 ARG A 35 -6.867 -8.113 -0.184 1.00 0.00 N ATOM 514 NH2 ARG A 35 -6.287 -9.653 1.364 1.00 0.00 N ATOM 0 H ARG A 35 -3.868 -3.036 3.381 1.00 0.00 H new ATOM 0 HA ARG A 35 -4.348 -2.798 0.517 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.607 -4.848 1.791 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.099 -4.821 2.710 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.382 -5.603 0.930 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.411 -4.779 -0.275 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.652 -6.965 -0.662 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.521 -6.534 0.604 1.00 0.00 H new ATOM 0 HE ARG A 35 -4.912 -7.732 2.257 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -6.736 -7.195 -0.609 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -7.583 -8.744 -0.544 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.703 -9.939 2.149 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -7.003 -10.284 1.004 1.00 0.00 H new ATOM 528 N SER A 36 -6.819 -2.209 2.472 1.00 0.00 N ATOM 529 CA SER A 36 -8.257 -1.816 2.489 1.00 0.00 C ATOM 530 C SER A 36 -8.490 -0.516 1.705 1.00 0.00 C ATOM 531 O SER A 36 -9.227 -0.492 0.740 1.00 0.00 O ATOM 532 CB SER A 36 -8.590 -1.615 3.967 1.00 0.00 C ATOM 533 OG SER A 36 -9.291 -2.753 4.452 1.00 0.00 O ATOM 0 H SER A 36 -6.322 -2.065 3.351 1.00 0.00 H new ATOM 0 HA SER A 36 -8.886 -2.571 2.018 1.00 0.00 H new ATOM 0 HB2 SER A 36 -7.675 -1.466 4.540 1.00 0.00 H new ATOM 0 HB3 SER A 36 -9.196 -0.718 4.096 1.00 0.00 H new ATOM 0 HG SER A 36 -9.504 -2.627 5.400 1.00 0.00 H new ATOM 539 N CYS A 37 -7.889 0.571 2.119 1.00 0.00 N ATOM 540 CA CYS A 37 -8.117 1.861 1.389 1.00 0.00 C ATOM 541 C CYS A 37 -7.306 1.930 0.088 1.00 0.00 C ATOM 542 O CYS A 37 -7.643 2.676 -0.810 1.00 0.00 O ATOM 543 CB CYS A 37 -7.714 2.998 2.344 1.00 0.00 C ATOM 544 SG CYS A 37 -6.129 2.651 3.147 1.00 0.00 S ATOM 0 H CYS A 37 -7.259 0.625 2.919 1.00 0.00 H new ATOM 0 HA CYS A 37 -9.165 1.946 1.100 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.646 3.934 1.790 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -8.487 3.131 3.101 1.00 0.00 H new ATOM 550 N LEU A 38 -6.258 1.164 -0.046 1.00 0.00 N ATOM 551 CA LEU A 38 -5.482 1.224 -1.322 1.00 0.00 C ATOM 552 C LEU A 38 -6.190 0.398 -2.398 1.00 0.00 C ATOM 553 O LEU A 38 -6.579 0.907 -3.431 1.00 0.00 O ATOM 554 CB LEU A 38 -4.109 0.629 -1.006 1.00 0.00 C ATOM 555 CG LEU A 38 -3.402 0.240 -2.312 1.00 0.00 C ATOM 556 CD1 LEU A 38 -3.512 1.383 -3.323 1.00 0.00 C ATOM 557 CD2 LEU A 38 -1.924 -0.042 -2.038 1.00 0.00 C ATOM 0 H LEU A 38 -5.909 0.511 0.656 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.393 2.243 -1.698 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.506 1.352 -0.456 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.220 -0.246 -0.366 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.877 -0.654 -2.716 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.008 1.101 -4.248 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.563 1.586 -3.530 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.043 2.278 -2.913 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.428 -0.318 -2.968 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.453 0.851 -1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.836 -0.861 -1.324 1.00 0.00 H new ATOM 569 N SER A 39 -6.366 -0.873 -2.162 1.00 0.00 N ATOM 570 CA SER A 39 -7.050 -1.732 -3.166 1.00 0.00 C ATOM 571 C SER A 39 -8.426 -1.152 -3.502 1.00 0.00 C ATOM 572 O SER A 39 -8.940 -1.338 -4.588 1.00 0.00 O ATOM 573 CB SER A 39 -7.183 -3.097 -2.491 1.00 0.00 C ATOM 574 OG SER A 39 -8.296 -3.078 -1.606 1.00 0.00 O ATOM 0 H SER A 39 -6.064 -1.354 -1.314 1.00 0.00 H new ATOM 0 HA SER A 39 -6.499 -1.798 -4.104 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.315 -3.876 -3.242 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.272 -3.334 -1.942 1.00 0.00 H new ATOM 0 HG SER A 39 -7.982 -3.179 -0.683 1.00 0.00 H new ATOM 580 N THR A 40 -9.025 -0.442 -2.584 1.00 0.00 N ATOM 581 CA THR A 40 -10.362 0.158 -2.862 1.00 0.00 C ATOM 582 C THR A 40 -10.192 1.532 -3.513 1.00 0.00 C ATOM 583 O THR A 40 -10.980 1.940 -4.342 1.00 0.00 O ATOM 584 CB THR A 40 -11.048 0.278 -1.497 1.00 0.00 C ATOM 585 OG1 THR A 40 -12.448 0.428 -1.691 1.00 0.00 O ATOM 586 CG2 THR A 40 -10.503 1.493 -0.744 1.00 0.00 C ATOM 0 H THR A 40 -8.647 -0.252 -1.656 1.00 0.00 H new ATOM 0 HA THR A 40 -10.953 -0.448 -3.549 1.00 0.00 H new ATOM 0 HB THR A 40 -10.850 -0.620 -0.912 1.00 0.00 H new ATOM 0 HG1 THR A 40 -12.893 0.504 -0.821 1.00 0.00 H new ATOM 0 HG21 THR A 40 -10.996 1.571 0.225 1.00 0.00 H new ATOM 0 HG22 THR A 40 -9.429 1.378 -0.597 1.00 0.00 H new ATOM 0 HG23 THR A 40 -10.696 2.396 -1.323 1.00 0.00 H new ATOM 594 N TRP A 41 -9.161 2.249 -3.147 1.00 0.00 N ATOM 595 CA TRP A 41 -8.942 3.592 -3.755 1.00 0.00 C ATOM 596 C TRP A 41 -8.664 3.431 -5.253 1.00 0.00 C ATOM 597 O TRP A 41 -9.360 3.977 -6.084 1.00 0.00 O ATOM 598 CB TRP A 41 -7.728 4.169 -3.015 1.00 0.00 C ATOM 599 CG TRP A 41 -7.051 5.203 -3.865 1.00 0.00 C ATOM 600 CD1 TRP A 41 -7.448 6.491 -3.983 1.00 0.00 C ATOM 601 CD2 TRP A 41 -5.871 5.059 -4.712 1.00 0.00 C ATOM 602 NE1 TRP A 41 -6.588 7.148 -4.844 1.00 0.00 N ATOM 603 CE2 TRP A 41 -5.599 6.309 -5.319 1.00 0.00 C ATOM 604 CE3 TRP A 41 -5.019 3.979 -5.009 1.00 0.00 C ATOM 605 CZ2 TRP A 41 -4.521 6.480 -6.188 1.00 0.00 C ATOM 606 CZ3 TRP A 41 -3.932 4.150 -5.884 1.00 0.00 C ATOM 607 CH2 TRP A 41 -3.684 5.398 -6.471 1.00 0.00 C ATOM 0 H TRP A 41 -8.466 1.963 -2.457 1.00 0.00 H new ATOM 0 HA TRP A 41 -9.805 4.251 -3.663 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -8.045 4.613 -2.071 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -7.027 3.371 -2.772 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -8.298 6.934 -3.486 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -6.674 8.132 -5.097 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.201 3.013 -4.562 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -4.335 7.443 -6.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -3.284 3.315 -6.105 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -2.847 5.523 -7.141 1.00 0.00 H new ATOM 618 N LEU A 42 -7.655 2.678 -5.603 1.00 0.00 N ATOM 619 CA LEU A 42 -7.347 2.480 -7.049 1.00 0.00 C ATOM 620 C LEU A 42 -8.608 2.036 -7.795 1.00 0.00 C ATOM 621 O LEU A 42 -8.766 2.294 -8.971 1.00 0.00 O ATOM 622 CB LEU A 42 -6.270 1.390 -7.104 1.00 0.00 C ATOM 623 CG LEU A 42 -6.671 0.193 -6.234 1.00 0.00 C ATOM 624 CD1 LEU A 42 -7.437 -0.825 -7.078 1.00 0.00 C ATOM 625 CD2 LEU A 42 -5.407 -0.467 -5.678 1.00 0.00 C ATOM 0 H LEU A 42 -7.034 2.194 -4.954 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.000 3.399 -7.521 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.125 1.066 -8.134 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.318 1.794 -6.760 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.305 0.535 -5.416 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.720 -1.674 -6.456 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.334 -0.359 -7.485 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.804 -1.170 -7.896 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.684 -1.319 -5.058 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.781 -0.807 -6.503 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.854 0.255 -5.076 1.00 0.00 H new ATOM 637 N THR A 43 -9.513 1.381 -7.118 1.00 0.00 N ATOM 638 CA THR A 43 -10.766 0.939 -7.794 1.00 0.00 C ATOM 639 C THR A 43 -11.615 2.164 -8.139 1.00 0.00 C ATOM 640 O THR A 43 -12.278 2.209 -9.157 1.00 0.00 O ATOM 641 CB THR A 43 -11.481 0.049 -6.773 1.00 0.00 C ATOM 642 OG1 THR A 43 -10.867 -1.235 -6.758 1.00 0.00 O ATOM 643 CG2 THR A 43 -12.958 -0.090 -7.153 1.00 0.00 C ATOM 0 H THR A 43 -9.439 1.134 -6.131 1.00 0.00 H new ATOM 0 HA THR A 43 -10.578 0.402 -8.724 1.00 0.00 H new ATOM 0 HB THR A 43 -11.408 0.500 -5.783 1.00 0.00 H new ATOM 0 HG1 THR A 43 -10.214 -1.277 -6.029 1.00 0.00 H new ATOM 0 HG21 THR A 43 -13.463 -0.724 -6.424 1.00 0.00 H new ATOM 0 HG22 THR A 43 -13.425 0.895 -7.163 1.00 0.00 H new ATOM 0 HG23 THR A 43 -13.038 -0.540 -8.143 1.00 0.00 H new ATOM 651 N ILE A 44 -11.589 3.165 -7.298 1.00 0.00 N ATOM 652 CA ILE A 44 -12.383 4.396 -7.577 1.00 0.00 C ATOM 653 C ILE A 44 -11.682 5.232 -8.650 1.00 0.00 C ATOM 654 O ILE A 44 -12.299 5.704 -9.585 1.00 0.00 O ATOM 655 CB ILE A 44 -12.420 5.155 -6.252 1.00 0.00 C ATOM 656 CG1 ILE A 44 -13.220 4.354 -5.222 1.00 0.00 C ATOM 657 CG2 ILE A 44 -13.084 6.517 -6.464 1.00 0.00 C ATOM 658 CD1 ILE A 44 -12.702 4.673 -3.819 1.00 0.00 C ATOM 0 H ILE A 44 -11.052 3.182 -6.431 1.00 0.00 H new ATOM 0 HA ILE A 44 -13.385 4.170 -7.943 1.00 0.00 H new ATOM 0 HB ILE A 44 -11.402 5.297 -5.888 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -14.279 4.601 -5.296 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -13.127 3.287 -5.422 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -13.111 7.060 -5.519 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -12.514 7.090 -7.195 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -14.101 6.373 -6.829 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -13.270 4.104 -3.083 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -11.648 4.404 -3.751 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -12.818 5.739 -3.622 1.00 0.00 H new ATOM 670 N SER A 45 -10.396 5.414 -8.523 1.00 0.00 N ATOM 671 CA SER A 45 -9.653 6.213 -9.537 1.00 0.00 C ATOM 672 C SER A 45 -9.260 5.321 -10.718 1.00 0.00 C ATOM 673 O SER A 45 -8.547 5.733 -11.610 1.00 0.00 O ATOM 674 CB SER A 45 -8.409 6.718 -8.810 1.00 0.00 C ATOM 675 OG SER A 45 -7.688 7.591 -9.667 1.00 0.00 O ATOM 0 H SER A 45 -9.828 5.044 -7.761 1.00 0.00 H new ATOM 0 HA SER A 45 -10.249 7.033 -9.938 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.694 7.240 -7.896 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.780 5.878 -8.514 1.00 0.00 H new ATOM 0 HG SER A 45 -7.750 7.268 -10.590 1.00 0.00 H new ATOM 681 N ARG A 46 -9.724 4.102 -10.726 1.00 0.00 N ATOM 682 CA ARG A 46 -9.384 3.177 -11.845 1.00 0.00 C ATOM 683 C ARG A 46 -7.867 3.033 -11.976 1.00 0.00 C ATOM 684 O ARG A 46 -7.253 3.590 -12.865 1.00 0.00 O ATOM 685 CB ARG A 46 -9.975 3.827 -13.095 1.00 0.00 C ATOM 686 CG ARG A 46 -11.325 3.182 -13.409 1.00 0.00 C ATOM 687 CD ARG A 46 -11.517 3.111 -14.925 1.00 0.00 C ATOM 688 NE ARG A 46 -12.993 3.057 -15.121 1.00 0.00 N ATOM 689 CZ ARG A 46 -13.539 2.012 -15.680 1.00 0.00 C ATOM 690 NH1 ARG A 46 -13.945 1.014 -14.944 1.00 0.00 N ATOM 691 NH2 ARG A 46 -13.679 1.965 -16.978 1.00 0.00 N ATOM 0 H ARG A 46 -10.326 3.705 -10.004 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.781 2.175 -11.684 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -10.099 4.899 -12.938 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.295 3.705 -13.938 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -11.371 2.182 -12.979 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -12.130 3.761 -12.957 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.084 3.981 -15.419 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.030 2.231 -15.344 1.00 0.00 H new ATOM 0 HE ARG A 46 -13.577 3.837 -14.818 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -13.836 1.050 -13.931 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -14.372 0.198 -15.382 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -13.362 2.745 -17.554 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -14.106 1.148 -17.416 1.00 0.00 H new ATOM 705 N ASN A 47 -7.258 2.284 -11.098 1.00 0.00 N ATOM 706 CA ASN A 47 -5.783 2.096 -11.173 1.00 0.00 C ATOM 707 C ASN A 47 -5.437 0.619 -10.965 1.00 0.00 C ATOM 708 O ASN A 47 -6.186 -0.124 -10.363 1.00 0.00 O ATOM 709 CB ASN A 47 -5.214 2.953 -10.043 1.00 0.00 C ATOM 710 CG ASN A 47 -5.362 4.433 -10.403 1.00 0.00 C ATOM 711 OD1 ASN A 47 -5.408 4.783 -11.566 1.00 0.00 O ATOM 712 ND2 ASN A 47 -5.441 5.322 -9.451 1.00 0.00 N ATOM 0 H ASN A 47 -7.719 1.794 -10.332 1.00 0.00 H new ATOM 0 HA ASN A 47 -5.373 2.386 -12.140 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -5.738 2.740 -9.111 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -4.164 2.710 -9.881 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -5.541 6.310 -9.683 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -5.402 5.029 -8.475 1.00 0.00 H new ATOM 719 N THR A 48 -4.312 0.185 -11.465 1.00 0.00 N ATOM 720 CA THR A 48 -3.930 -1.246 -11.298 1.00 0.00 C ATOM 721 C THR A 48 -2.508 -1.360 -10.747 1.00 0.00 C ATOM 722 O THR A 48 -2.183 -2.285 -10.029 1.00 0.00 O ATOM 723 CB THR A 48 -4.010 -1.841 -12.705 1.00 0.00 C ATOM 724 OG1 THR A 48 -3.259 -1.034 -13.603 1.00 0.00 O ATOM 725 CG2 THR A 48 -5.470 -1.892 -13.159 1.00 0.00 C ATOM 0 H THR A 48 -3.643 0.757 -11.980 1.00 0.00 H new ATOM 0 HA THR A 48 -4.581 -1.766 -10.595 1.00 0.00 H new ATOM 0 HB THR A 48 -3.601 -2.851 -12.696 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.308 -1.415 -14.505 1.00 0.00 H new ATOM 0 HG21 THR A 48 -5.525 -2.316 -14.162 1.00 0.00 H new ATOM 0 HG22 THR A 48 -6.044 -2.513 -12.471 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.883 -0.884 -13.169 1.00 0.00 H new ATOM 733 N ALA A 49 -1.655 -0.430 -11.078 1.00 0.00 N ATOM 734 CA ALA A 49 -0.254 -0.499 -10.570 1.00 0.00 C ATOM 735 C ALA A 49 0.263 0.902 -10.227 1.00 0.00 C ATOM 736 O ALA A 49 -0.119 1.883 -10.833 1.00 0.00 O ATOM 737 CB ALA A 49 0.552 -1.102 -11.720 1.00 0.00 C ATOM 0 H ALA A 49 -1.865 0.370 -11.674 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.176 -1.092 -9.659 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.598 -1.187 -11.426 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.161 -2.091 -11.959 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.473 -0.459 -12.596 1.00 0.00 H new ATOM 743 N CYS A 50 1.134 0.998 -9.257 1.00 0.00 N ATOM 744 CA CYS A 50 1.681 2.332 -8.869 1.00 0.00 C ATOM 745 C CYS A 50 2.377 2.987 -10.067 1.00 0.00 C ATOM 746 O CYS A 50 3.278 2.425 -10.657 1.00 0.00 O ATOM 747 CB CYS A 50 2.690 2.041 -7.756 1.00 0.00 C ATOM 748 SG CYS A 50 3.262 3.600 -7.036 1.00 0.00 S ATOM 0 H CYS A 50 1.490 0.210 -8.716 1.00 0.00 H new ATOM 0 HA CYS A 50 0.900 3.018 -8.541 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.230 1.420 -6.987 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.536 1.480 -8.155 1.00 0.00 H new ATOM 754 N GLN A 51 1.969 4.173 -10.427 1.00 0.00 N ATOM 755 CA GLN A 51 2.609 4.863 -11.583 1.00 0.00 C ATOM 756 C GLN A 51 3.937 5.497 -11.155 1.00 0.00 C ATOM 757 O GLN A 51 4.561 6.220 -11.906 1.00 0.00 O ATOM 758 CB GLN A 51 1.609 5.942 -12.002 1.00 0.00 C ATOM 759 CG GLN A 51 0.212 5.330 -12.116 1.00 0.00 C ATOM 760 CD GLN A 51 -0.740 6.046 -11.155 1.00 0.00 C ATOM 761 OE1 GLN A 51 -1.095 5.513 -10.122 1.00 0.00 O ATOM 762 NE2 GLN A 51 -1.170 7.242 -11.453 1.00 0.00 N ATOM 0 H GLN A 51 1.220 4.694 -9.971 1.00 0.00 H new ATOM 0 HA GLN A 51 2.835 4.177 -12.399 1.00 0.00 H new ATOM 0 HB2 GLN A 51 1.604 6.751 -11.272 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.906 6.376 -12.957 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.153 5.419 -13.139 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.249 4.266 -11.882 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -0.872 7.690 -12.320 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.804 7.729 -10.819 1.00 0.00 H new ATOM 771 N ILE A 52 4.371 5.234 -9.953 1.00 0.00 N ATOM 772 CA ILE A 52 5.656 5.824 -9.476 1.00 0.00 C ATOM 773 C ILE A 52 6.817 4.859 -9.739 1.00 0.00 C ATOM 774 O ILE A 52 7.903 5.265 -10.104 1.00 0.00 O ATOM 775 CB ILE A 52 5.457 6.036 -7.976 1.00 0.00 C ATOM 776 CG1 ILE A 52 4.262 6.964 -7.750 1.00 0.00 C ATOM 777 CG2 ILE A 52 6.712 6.676 -7.380 1.00 0.00 C ATOM 778 CD1 ILE A 52 4.011 7.117 -6.250 1.00 0.00 C ATOM 0 H ILE A 52 3.892 4.636 -9.280 1.00 0.00 H new ATOM 0 HA ILE A 52 5.901 6.753 -9.990 1.00 0.00 H new ATOM 0 HB ILE A 52 5.273 5.076 -7.494 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.455 7.939 -8.198 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.376 6.559 -8.238 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.570 6.827 -6.310 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.567 6.021 -7.544 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.894 7.637 -7.861 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.160 7.778 -6.089 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.799 6.140 -5.815 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.895 7.542 -5.775 1.00 0.00 H new ATOM 790 N CYS A 53 6.599 3.586 -9.557 1.00 0.00 N ATOM 791 CA CYS A 53 7.689 2.599 -9.798 1.00 0.00 C ATOM 792 C CYS A 53 7.262 1.592 -10.868 1.00 0.00 C ATOM 793 O CYS A 53 8.074 0.888 -11.434 1.00 0.00 O ATOM 794 CB CYS A 53 7.892 1.899 -8.458 1.00 0.00 C ATOM 795 SG CYS A 53 6.306 1.248 -7.882 1.00 0.00 S ATOM 0 H CYS A 53 5.712 3.186 -9.251 1.00 0.00 H new ATOM 0 HA CYS A 53 8.604 3.073 -10.153 1.00 0.00 H new ATOM 0 HB2 CYS A 53 8.615 1.090 -8.563 1.00 0.00 H new ATOM 0 HB3 CYS A 53 8.299 2.598 -7.727 1.00 0.00 H new ATOM 801 N GLY A 54 5.990 1.521 -11.150 1.00 0.00 N ATOM 802 CA GLY A 54 5.509 0.562 -12.185 1.00 0.00 C ATOM 803 C GLY A 54 5.130 -0.770 -11.530 1.00 0.00 C ATOM 804 O GLY A 54 4.984 -1.777 -12.195 1.00 0.00 O ATOM 0 H GLY A 54 5.263 2.085 -10.709 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.647 0.979 -12.706 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.286 0.401 -12.932 1.00 0.00 H new ATOM 808 N VAL A 55 4.961 -0.790 -10.233 1.00 0.00 N ATOM 809 CA VAL A 55 4.583 -2.064 -9.556 1.00 0.00 C ATOM 810 C VAL A 55 3.058 -2.199 -9.515 1.00 0.00 C ATOM 811 O VAL A 55 2.343 -1.224 -9.399 1.00 0.00 O ATOM 812 CB VAL A 55 5.153 -1.954 -8.141 1.00 0.00 C ATOM 813 CG1 VAL A 55 4.903 -3.262 -7.389 1.00 0.00 C ATOM 814 CG2 VAL A 55 6.659 -1.691 -8.215 1.00 0.00 C ATOM 0 H VAL A 55 5.068 0.016 -9.617 1.00 0.00 H new ATOM 0 HA VAL A 55 4.969 -2.940 -10.077 1.00 0.00 H new ATOM 0 HB VAL A 55 4.666 -1.132 -7.617 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.309 -3.185 -6.380 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.831 -3.452 -7.335 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.391 -4.083 -7.915 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.065 -1.613 -7.206 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.147 -2.513 -8.739 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.840 -0.760 -8.752 1.00 0.00 H new ATOM 824 N VAL A 56 2.552 -3.399 -9.616 1.00 0.00 N ATOM 825 CA VAL A 56 1.072 -3.588 -9.589 1.00 0.00 C ATOM 826 C VAL A 56 0.568 -3.682 -8.147 1.00 0.00 C ATOM 827 O VAL A 56 1.295 -4.052 -7.247 1.00 0.00 O ATOM 828 CB VAL A 56 0.828 -4.901 -10.332 1.00 0.00 C ATOM 829 CG1 VAL A 56 -0.673 -5.187 -10.379 1.00 0.00 C ATOM 830 CG2 VAL A 56 1.370 -4.785 -11.759 1.00 0.00 C ATOM 0 H VAL A 56 3.098 -4.255 -9.716 1.00 0.00 H new ATOM 0 HA VAL A 56 0.543 -2.753 -10.049 1.00 0.00 H new ATOM 0 HB VAL A 56 1.337 -5.714 -9.814 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.849 -6.123 -10.909 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.060 -5.267 -9.363 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.182 -4.375 -10.899 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.197 -5.720 -12.291 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.860 -3.973 -12.277 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.440 -4.579 -11.726 1.00 0.00 H new ATOM 840 N TYR A 57 -0.675 -3.347 -7.923 1.00 0.00 N ATOM 841 CA TYR A 57 -1.229 -3.416 -6.539 1.00 0.00 C ATOM 842 C TYR A 57 -1.488 -4.870 -6.145 1.00 0.00 C ATOM 843 O TYR A 57 -1.320 -5.252 -5.006 1.00 0.00 O ATOM 844 CB TYR A 57 -2.537 -2.632 -6.598 1.00 0.00 C ATOM 845 CG TYR A 57 -2.252 -1.260 -7.147 1.00 0.00 C ATOM 846 CD1 TYR A 57 -1.083 -0.596 -6.771 1.00 0.00 C ATOM 847 CD2 TYR A 57 -3.148 -0.655 -8.033 1.00 0.00 C ATOM 848 CE1 TYR A 57 -0.804 0.675 -7.279 1.00 0.00 C ATOM 849 CE2 TYR A 57 -2.872 0.619 -8.544 1.00 0.00 C ATOM 850 CZ TYR A 57 -1.700 1.284 -8.167 1.00 0.00 C ATOM 851 OH TYR A 57 -1.426 2.541 -8.670 1.00 0.00 O ATOM 0 H TYR A 57 -1.330 -3.029 -8.637 1.00 0.00 H new ATOM 0 HA TYR A 57 -0.543 -3.006 -5.798 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.260 -3.149 -7.229 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.978 -2.557 -5.604 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -0.393 -1.066 -6.086 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.052 -1.170 -8.323 1.00 0.00 H new ATOM 0 HE1 TYR A 57 0.101 1.187 -6.988 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.563 1.088 -9.229 1.00 0.00 H new ATOM 0 HH TYR A 57 -1.283 2.482 -9.638 1.00 0.00 H new ATOM 861 N ASN A 58 -1.892 -5.679 -7.084 1.00 0.00 N ATOM 862 CA ASN A 58 -2.161 -7.114 -6.772 1.00 0.00 C ATOM 863 C ASN A 58 -2.868 -7.244 -5.420 1.00 0.00 C ATOM 864 O ASN A 58 -2.247 -7.508 -4.409 1.00 0.00 O ATOM 865 CB ASN A 58 -0.782 -7.773 -6.718 1.00 0.00 C ATOM 866 CG ASN A 58 -0.928 -9.284 -6.904 1.00 0.00 C ATOM 867 OD1 ASN A 58 -1.943 -9.855 -6.559 1.00 0.00 O ATOM 868 ND2 ASN A 58 0.051 -9.959 -7.439 1.00 0.00 N ATOM 0 H ASN A 58 -2.048 -5.410 -8.055 1.00 0.00 H new ATOM 0 HA ASN A 58 -2.810 -7.580 -7.514 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -0.140 -7.361 -7.497 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -0.302 -7.559 -5.763 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -0.035 -10.967 -7.568 1.00 0.00 H new ATOM 0 HD22 ASN A 58 0.903 -9.479 -7.729 1.00 0.00 H new ATOM 875 N THR A 59 -4.158 -7.062 -5.391 1.00 0.00 N ATOM 876 CA THR A 59 -4.894 -7.178 -4.100 1.00 0.00 C ATOM 877 C THR A 59 -5.655 -8.505 -4.043 1.00 0.00 C ATOM 878 O THR A 59 -6.004 -9.074 -5.057 1.00 0.00 O ATOM 879 CB THR A 59 -5.867 -5.998 -4.086 1.00 0.00 C ATOM 880 OG1 THR A 59 -6.954 -6.270 -4.959 1.00 0.00 O ATOM 881 CG2 THR A 59 -5.143 -4.733 -4.547 1.00 0.00 C ATOM 0 H THR A 59 -4.734 -6.839 -6.202 1.00 0.00 H new ATOM 0 HA THR A 59 -4.224 -7.160 -3.241 1.00 0.00 H new ATOM 0 HB THR A 59 -6.244 -5.850 -3.074 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.579 -5.515 -4.949 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.837 -3.892 -4.537 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.311 -4.525 -3.875 1.00 0.00 H new ATOM 0 HG23 THR A 59 -4.764 -4.879 -5.559 1.00 0.00 H new ATOM 889 N ARG A 60 -5.911 -9.001 -2.864 1.00 0.00 N ATOM 890 CA ARG A 60 -6.646 -10.292 -2.743 1.00 0.00 C ATOM 891 C ARG A 60 -6.009 -11.349 -3.647 1.00 0.00 C ATOM 892 O ARG A 60 -6.741 -11.992 -4.383 1.00 0.00 O ATOM 893 CB ARG A 60 -8.071 -9.981 -3.203 1.00 0.00 C ATOM 894 CG ARG A 60 -9.070 -10.641 -2.251 1.00 0.00 C ATOM 895 CD ARG A 60 -10.492 -10.423 -2.772 1.00 0.00 C ATOM 896 NE ARG A 60 -11.026 -11.793 -3.010 1.00 0.00 N ATOM 897 CZ ARG A 60 -11.106 -12.642 -2.023 1.00 0.00 C ATOM 898 NH1 ARG A 60 -11.065 -12.214 -0.791 1.00 0.00 N ATOM 899 NH2 ARG A 60 -11.229 -13.917 -2.267 1.00 0.00 N ATOM 900 OXT ARG A 60 -4.799 -11.496 -3.590 1.00 0.00 O ATOM 0 H ARG A 60 -5.643 -8.569 -1.980 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.623 -10.687 -1.727 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.230 -8.903 -3.224 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.225 -10.346 -4.219 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -8.861 -11.708 -2.170 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -8.969 -10.219 -1.251 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -11.100 -9.882 -2.047 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -10.491 -9.834 -3.689 1.00 0.00 H new ATOM 0 HE ARG A 60 -11.329 -12.067 -3.945 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -10.970 -11.216 -0.601 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -11.127 -12.877 -0.018 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.263 -14.251 -3.230 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -11.291 -14.580 -1.495 1.00 0.00 H new TER 914 ARG A 60 HETATM 915 ZN ZN A1061 -4.658 3.223 4.770 1.00 0.00 ZN HETATM 916 ZN ZN A1062 5.259 2.822 -6.525 1.00 0.00 ZN