USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 547 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 Set 1.1: 1 37 THR OG1 : rot 163:sc= -0.224 USER MOD Set 1.2: 1 40 SER OG : rot 165:sc= 1.11 USER MOD Set 2.1: 1 33 THR OG1 : rot 180:sc=-0.00728 USER MOD Set 2.2: 1 35 LYS NZ :NH3+ -169:sc= 0.462 (180deg=0.355) USER MOD Single : 1 1 SER N :NH3+ -138:sc= -2.27 (180deg=-4.65!) USER MOD Single : 1 1 SER OG : rot 180:sc= 0 USER MOD Single : 1 7 ASN : amide:sc= -1.39 K(o=-1.4,f=-2.1) USER MOD Single : 1 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 12 GLN : amide:sc= -2.49 X(o=-2.5,f=-2.7!) USER MOD Single : 1 20 SER OG : rot 180:sc= 0 USER MOD Single : 1 23 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : 1 25 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : 1 30 ASN :FLIP amide:sc= -0.744 F(o=-4.9!,f=-0.74) USER MOD Single : 1 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 43 ASN : amide:sc= -4.66 K(o=-4.7,f=-5.6!) USER MOD Single : 1 44 TYR OH : rot 180:sc= 0 USER MOD Single : 1 50 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : 1 54 LYS NZ :NH3+ 180:sc=-0.00917 (180deg=-0.00917) USER MOD Single : 1 55 LYS NZ :NH3+ -174:sc= -0.0155 (180deg=-0.0412) USER MOD Single : 1 58 THR OG1 : rot 76:sc= 1 USER MOD Single : 1 68 ASN :FLIP amide:sc= -0.889 F(o=-2.2!,f=-0.89) USER MOD Single : 1 71 TYR OH : rot 180:sc= 0 USER MOD Single : 1 73 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 75 LYS NZ :NH3+ -154:sc= -0.143 (180deg=-0.564) USER MOD Single : 1 76 SER OG : rot 180:sc= 0 USER MOD Single : 1 77 SER OG : rot 180:sc= 0 USER MOD Single : 1 82 ASN : amide:sc= -0.0587 X(o=-0.059,f=0) USER MOD Single : 1 83 HIS :FLIP no HD1:sc= -2.65 F(o=-4.9,f=-2.6) USER MOD ----------------------------------------------------------------- ATOM 1 N SER 1 1 11.651 -2.880 -11.451 1.00 0.00 N ATOM 2 CA SER 1 1 12.588 -3.803 -10.748 1.00 0.00 C ATOM 3 C SER 1 1 13.512 -3.045 -9.796 1.00 0.00 C ATOM 4 O SER 1 1 13.517 -3.299 -8.592 1.00 0.00 O ATOM 5 CB SER 1 1 13.412 -4.565 -11.791 1.00 0.00 C ATOM 6 OG SER 1 1 12.836 -5.829 -12.072 1.00 0.00 O ATOM 0 H1 SER 1 1 10.703 -3.306 -11.483 1.00 0.00 H new ATOM 0 H2 SER 1 1 11.606 -1.975 -10.940 1.00 0.00 H new ATOM 0 H3 SER 1 1 11.989 -2.714 -12.420 1.00 0.00 H new ATOM 0 HA SER 1 1 12.005 -4.503 -10.149 1.00 0.00 H new ATOM 0 HB2 SER 1 1 13.475 -3.979 -12.708 1.00 0.00 H new ATOM 0 HB3 SER 1 1 14.431 -4.699 -11.427 1.00 0.00 H new ATOM 0 HG SER 1 1 13.379 -6.295 -12.742 1.00 0.00 H new ATOM 14 N PRO 1 2 14.312 -2.100 -10.324 1.00 0.00 N ATOM 15 CA PRO 1 2 15.239 -1.311 -9.510 1.00 0.00 C ATOM 16 C PRO 1 2 14.529 -0.219 -8.713 1.00 0.00 C ATOM 17 O PRO 1 2 13.388 0.135 -9.011 1.00 0.00 O ATOM 18 CB PRO 1 2 16.173 -0.693 -10.549 1.00 0.00 C ATOM 19 CG PRO 1 2 15.337 -0.567 -11.775 1.00 0.00 C ATOM 20 CD PRO 1 2 14.376 -1.728 -11.751 1.00 0.00 C ATOM 0 HA PRO 1 2 15.748 -1.919 -8.762 1.00 0.00 H new ATOM 0 HB2 PRO 1 2 16.545 0.278 -10.221 1.00 0.00 H new ATOM 0 HB3 PRO 1 2 17.044 -1.325 -10.726 1.00 0.00 H new ATOM 0 HG2 PRO 1 2 14.801 0.382 -11.784 1.00 0.00 H new ATOM 0 HG3 PRO 1 2 15.956 -0.592 -12.672 1.00 0.00 H new ATOM 0 HD2 PRO 1 2 13.396 -1.445 -12.135 1.00 0.00 H new ATOM 0 HD3 PRO 1 2 14.732 -2.555 -12.365 1.00 0.00 H new ATOM 28 N PRO 1 3 15.199 0.332 -7.686 1.00 0.00 N ATOM 29 CA PRO 1 3 14.644 1.379 -6.847 1.00 0.00 C ATOM 30 C PRO 1 3 15.004 2.772 -7.349 1.00 0.00 C ATOM 31 O PRO 1 3 16.056 3.310 -7.005 1.00 0.00 O ATOM 32 CB PRO 1 3 15.307 1.106 -5.499 1.00 0.00 C ATOM 33 CG PRO 1 3 16.618 0.453 -5.820 1.00 0.00 C ATOM 34 CD PRO 1 3 16.557 -0.019 -7.256 1.00 0.00 C ATOM 0 HA PRO 1 3 13.554 1.364 -6.822 1.00 0.00 H new ATOM 0 HB2 PRO 1 3 15.456 2.030 -4.941 1.00 0.00 H new ATOM 0 HB3 PRO 1 3 14.687 0.457 -4.881 1.00 0.00 H new ATOM 0 HG2 PRO 1 3 17.439 1.156 -5.683 1.00 0.00 H new ATOM 0 HG3 PRO 1 3 16.802 -0.386 -5.149 1.00 0.00 H new ATOM 0 HD2 PRO 1 3 17.310 0.474 -7.871 1.00 0.00 H new ATOM 0 HD3 PRO 1 3 16.735 -1.092 -7.332 1.00 0.00 H new ATOM 42 N VAL 1 4 14.127 3.354 -8.163 1.00 0.00 N ATOM 43 CA VAL 1 4 14.363 4.687 -8.703 1.00 0.00 C ATOM 44 C VAL 1 4 13.260 5.662 -8.296 1.00 0.00 C ATOM 45 O VAL 1 4 12.131 5.573 -8.779 1.00 0.00 O ATOM 46 CB VAL 1 4 14.467 4.655 -10.240 1.00 0.00 C ATOM 47 CG1 VAL 1 4 15.903 4.406 -10.672 1.00 0.00 C ATOM 48 CG2 VAL 1 4 13.538 3.596 -10.820 1.00 0.00 C ATOM 0 H VAL 1 4 13.251 2.925 -8.461 1.00 0.00 H new ATOM 0 HA VAL 1 4 15.309 5.031 -8.285 1.00 0.00 H new ATOM 0 HB VAL 1 4 14.157 5.626 -10.625 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 15.957 4.387 -11.760 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 16.541 5.203 -10.291 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 16.242 3.449 -10.275 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 13.627 3.590 -11.906 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 13.813 2.617 -10.428 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 12.509 3.823 -10.541 1.00 0.00 H new ATOM 58 N CYS 1 5 13.600 6.606 -7.419 1.00 0.00 N ATOM 59 CA CYS 1 5 12.641 7.610 -6.968 1.00 0.00 C ATOM 60 C CYS 1 5 12.564 8.722 -8.006 1.00 0.00 C ATOM 61 O CYS 1 5 13.471 9.546 -8.124 1.00 0.00 O ATOM 62 CB CYS 1 5 13.049 8.166 -5.594 1.00 0.00 C ATOM 63 SG CYS 1 5 12.281 9.763 -5.139 1.00 0.00 S ATOM 0 H CYS 1 5 14.530 6.695 -7.009 1.00 0.00 H new ATOM 0 HA CYS 1 5 11.657 7.154 -6.859 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 12.795 7.429 -4.832 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 14.132 8.284 -5.575 1.00 0.00 H new ATOM 68 N GLY 1 6 11.491 8.708 -8.779 1.00 0.00 N ATOM 69 CA GLY 1 6 11.316 9.682 -9.836 1.00 0.00 C ATOM 70 C GLY 1 6 11.430 9.018 -11.189 1.00 0.00 C ATOM 71 O GLY 1 6 11.862 9.627 -12.168 1.00 0.00 O ATOM 0 H GLY 1 6 10.731 8.033 -8.693 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 10.342 10.161 -9.740 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 12.067 10.466 -9.744 1.00 0.00 H new ATOM 75 N ASN 1 7 11.036 7.750 -11.224 1.00 0.00 N ATOM 76 CA ASN 1 7 11.076 6.945 -12.431 1.00 0.00 C ATOM 77 C ASN 1 7 9.731 6.266 -12.641 1.00 0.00 C ATOM 78 O ASN 1 7 9.581 5.407 -13.510 1.00 0.00 O ATOM 79 CB ASN 1 7 12.173 5.886 -12.305 1.00 0.00 C ATOM 80 CG ASN 1 7 13.494 6.349 -12.888 1.00 0.00 C ATOM 81 OD1 ASN 1 7 13.991 7.425 -12.553 1.00 0.00 O ATOM 82 ND2 ASN 1 7 14.071 5.537 -13.766 1.00 0.00 N ATOM 0 H ASN 1 7 10.678 7.252 -10.409 1.00 0.00 H new ATOM 0 HA ASN 1 7 11.290 7.588 -13.285 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 12.312 5.634 -11.254 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 11.855 4.975 -12.812 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 14.961 5.796 -14.192 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 13.624 4.655 -14.015 1.00 0.00 H new ATOM 89 N LYS 1 8 8.759 6.646 -11.814 1.00 0.00 N ATOM 90 CA LYS 1 8 7.426 6.072 -11.871 1.00 0.00 C ATOM 91 C LYS 1 8 7.422 4.683 -11.244 1.00 0.00 C ATOM 92 O LYS 1 8 6.493 3.901 -11.448 1.00 0.00 O ATOM 93 CB LYS 1 8 6.919 6.002 -13.315 1.00 0.00 C ATOM 94 CG LYS 1 8 5.413 6.161 -13.439 1.00 0.00 C ATOM 95 CD LYS 1 8 4.992 6.379 -14.883 1.00 0.00 C ATOM 96 CE LYS 1 8 5.325 7.785 -15.354 1.00 0.00 C ATOM 97 NZ LYS 1 8 5.479 7.854 -16.833 1.00 0.00 N ATOM 0 H LYS 1 8 8.877 7.356 -11.092 1.00 0.00 H new ATOM 0 HA LYS 1 8 6.754 6.718 -11.306 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 7.408 6.780 -13.901 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 7.212 5.046 -13.748 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 4.919 5.273 -13.045 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 5.084 7.004 -12.832 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 5.492 5.652 -15.523 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 3.920 6.206 -14.981 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 4.537 8.469 -15.039 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 6.247 8.119 -14.877 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 5.706 8.830 -17.113 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 6.248 7.220 -17.132 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 4.591 7.560 -17.289 1.00 0.00 H new ATOM 111 N ILE 1 9 8.470 4.381 -10.478 1.00 0.00 N ATOM 112 CA ILE 1 9 8.587 3.091 -9.823 1.00 0.00 C ATOM 113 C ILE 1 9 8.450 3.233 -8.313 1.00 0.00 C ATOM 114 O ILE 1 9 9.176 4.002 -7.682 1.00 0.00 O ATOM 115 CB ILE 1 9 9.941 2.408 -10.168 1.00 0.00 C ATOM 116 CG1 ILE 1 9 9.700 1.008 -10.731 1.00 0.00 C ATOM 117 CG2 ILE 1 9 10.868 2.332 -8.961 1.00 0.00 C ATOM 118 CD1 ILE 1 9 10.905 0.427 -11.438 1.00 0.00 C ATOM 0 H ILE 1 9 9.247 5.017 -10.299 1.00 0.00 H new ATOM 0 HA ILE 1 9 7.776 2.462 -10.192 1.00 0.00 H new ATOM 0 HB ILE 1 9 10.432 3.024 -10.922 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 9.410 0.343 -9.918 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 8.862 1.044 -11.427 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 11.801 1.848 -9.249 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 11.078 3.339 -8.600 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 10.389 1.755 -8.170 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 10.663 -0.568 -11.812 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 11.183 1.071 -12.272 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 11.739 0.359 -10.739 1.00 0.00 H new ATOM 130 N LEU 1 10 7.541 2.466 -7.732 1.00 0.00 N ATOM 131 CA LEU 1 10 7.352 2.490 -6.290 1.00 0.00 C ATOM 132 C LEU 1 10 8.309 1.489 -5.663 1.00 0.00 C ATOM 133 O LEU 1 10 7.898 0.565 -4.961 1.00 0.00 O ATOM 134 CB LEU 1 10 5.904 2.161 -5.908 1.00 0.00 C ATOM 135 CG LEU 1 10 5.166 1.218 -6.861 1.00 0.00 C ATOM 136 CD1 LEU 1 10 4.183 0.349 -6.094 1.00 0.00 C ATOM 137 CD2 LEU 1 10 4.449 2.013 -7.941 1.00 0.00 C ATOM 0 H LEU 1 10 6.927 1.824 -8.232 1.00 0.00 H new ATOM 0 HA LEU 1 10 7.561 3.493 -5.918 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 5.902 1.717 -4.912 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 5.344 3.094 -5.842 1.00 0.00 H new ATOM 0 HG LEU 1 10 5.897 0.566 -7.340 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 3.667 -0.315 -6.787 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 4.722 -0.245 -5.355 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 3.454 0.983 -5.589 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 3.929 1.329 -8.611 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 3.728 2.687 -7.479 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 5.176 2.594 -8.508 1.00 0.00 H new ATOM 149 N GLU 1 11 9.596 1.676 -5.946 1.00 0.00 N ATOM 150 CA GLU 1 11 10.629 0.787 -5.438 1.00 0.00 C ATOM 151 C GLU 1 11 11.650 1.554 -4.612 1.00 0.00 C ATOM 152 O GLU 1 11 12.002 1.132 -3.512 1.00 0.00 O ATOM 153 CB GLU 1 11 11.321 0.062 -6.593 1.00 0.00 C ATOM 154 CG GLU 1 11 12.359 -0.952 -6.138 1.00 0.00 C ATOM 155 CD GLU 1 11 11.989 -2.375 -6.510 1.00 0.00 C ATOM 156 OE1 GLU 1 11 11.305 -2.560 -7.539 1.00 0.00 O ATOM 157 OE2 GLU 1 11 12.382 -3.303 -5.772 1.00 0.00 O ATOM 0 H GLU 1 11 9.946 2.438 -6.526 1.00 0.00 H new ATOM 0 HA GLU 1 11 10.153 0.049 -4.792 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 10.568 -0.446 -7.196 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 11.802 0.798 -7.237 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 13.323 -0.704 -6.582 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 12.479 -0.883 -5.057 1.00 0.00 H new ATOM 164 N GLN 1 12 12.126 2.681 -5.142 1.00 0.00 N ATOM 165 CA GLN 1 12 13.109 3.496 -4.423 1.00 0.00 C ATOM 166 C GLN 1 12 12.513 4.106 -3.151 1.00 0.00 C ATOM 167 O GLN 1 12 12.464 5.327 -3.003 1.00 0.00 O ATOM 168 CB GLN 1 12 13.637 4.613 -5.320 1.00 0.00 C ATOM 169 CG GLN 1 12 15.099 4.949 -5.076 1.00 0.00 C ATOM 170 CD GLN 1 12 15.282 6.009 -4.007 1.00 0.00 C ATOM 171 OE1 GLN 1 12 15.577 7.166 -4.308 1.00 0.00 O ATOM 172 NE2 GLN 1 12 15.110 5.617 -2.750 1.00 0.00 N ATOM 0 H GLN 1 12 11.853 3.048 -6.054 1.00 0.00 H new ATOM 0 HA GLN 1 12 13.929 2.837 -4.139 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 13.509 4.322 -6.363 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 13.036 5.509 -5.163 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 15.632 4.045 -4.781 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 15.549 5.295 -6.007 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 14.866 4.648 -2.547 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 15.222 6.285 -1.988 1.00 0.00 H new ATOM 181 N GLY 1 13 12.073 3.251 -2.229 1.00 0.00 N ATOM 182 CA GLY 1 13 11.497 3.720 -0.978 1.00 0.00 C ATOM 183 C GLY 1 13 10.550 4.895 -1.151 1.00 0.00 C ATOM 184 O GLY 1 13 10.526 5.804 -0.321 1.00 0.00 O ATOM 0 H GLY 1 13 12.106 2.236 -2.327 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 10.961 2.898 -0.503 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 12.302 4.008 -0.302 1.00 0.00 H new ATOM 188 N GLU 1 14 9.767 4.881 -2.226 1.00 0.00 N ATOM 189 CA GLU 1 14 8.820 5.962 -2.486 1.00 0.00 C ATOM 190 C GLU 1 14 7.424 5.596 -1.995 1.00 0.00 C ATOM 191 O GLU 1 14 6.854 6.278 -1.143 1.00 0.00 O ATOM 192 CB GLU 1 14 8.760 6.292 -3.980 1.00 0.00 C ATOM 193 CG GLU 1 14 10.100 6.211 -4.687 1.00 0.00 C ATOM 194 CD GLU 1 14 10.380 4.828 -5.229 1.00 0.00 C ATOM 195 OE1 GLU 1 14 9.909 3.846 -4.618 1.00 0.00 O ATOM 196 OE2 GLU 1 14 11.069 4.726 -6.266 1.00 0.00 O ATOM 0 H GLU 1 14 9.768 4.140 -2.926 1.00 0.00 H new ATOM 0 HA GLU 1 14 9.171 6.838 -1.941 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 8.064 5.607 -4.465 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 8.357 7.297 -4.103 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 10.121 6.931 -5.505 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 10.892 6.494 -3.994 1.00 0.00 H new ATOM 203 N ASP 1 15 6.874 4.522 -2.554 1.00 0.00 N ATOM 204 CA ASP 1 15 5.534 4.057 -2.198 1.00 0.00 C ATOM 205 C ASP 1 15 4.465 4.917 -2.869 1.00 0.00 C ATOM 206 O ASP 1 15 3.281 4.817 -2.546 1.00 0.00 O ATOM 207 CB ASP 1 15 5.339 4.071 -0.678 1.00 0.00 C ATOM 208 CG ASP 1 15 4.470 2.926 -0.196 1.00 0.00 C ATOM 209 OD1 ASP 1 15 3.526 2.550 -0.923 1.00 0.00 O ATOM 210 OD2 ASP 1 15 4.733 2.405 0.908 1.00 0.00 O ATOM 0 H ASP 1 15 7.339 3.952 -3.261 1.00 0.00 H new ATOM 0 HA ASP 1 15 5.431 3.032 -2.554 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 6.312 4.016 -0.189 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 4.886 5.017 -0.381 1.00 0.00 H new ATOM 215 N CYS 1 16 4.895 5.759 -3.811 1.00 0.00 N ATOM 216 CA CYS 1 16 3.995 6.643 -4.547 1.00 0.00 C ATOM 217 C CYS 1 16 4.791 7.724 -5.265 1.00 0.00 C ATOM 218 O CYS 1 16 4.840 8.872 -4.823 1.00 0.00 O ATOM 219 CB CYS 1 16 2.965 7.288 -3.616 1.00 0.00 C ATOM 220 SG CYS 1 16 1.293 6.572 -3.730 1.00 0.00 S ATOM 0 H CYS 1 16 5.874 5.846 -4.083 1.00 0.00 H new ATOM 0 HA CYS 1 16 3.461 6.040 -5.281 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 3.316 7.198 -2.588 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 2.907 8.353 -3.841 1.00 0.00 H new ATOM 225 N ASP 1 17 5.419 7.347 -6.372 1.00 0.00 N ATOM 226 CA ASP 1 17 6.217 8.284 -7.147 1.00 0.00 C ATOM 227 C ASP 1 17 5.802 8.286 -8.615 1.00 0.00 C ATOM 228 O ASP 1 17 5.186 7.339 -9.105 1.00 0.00 O ATOM 229 CB ASP 1 17 7.703 7.935 -7.023 1.00 0.00 C ATOM 230 CG ASP 1 17 8.563 8.676 -8.030 1.00 0.00 C ATOM 231 OD1 ASP 1 17 8.730 9.905 -7.881 1.00 0.00 O ATOM 232 OD2 ASP 1 17 9.061 8.026 -8.973 1.00 0.00 O ATOM 0 H ASP 1 17 5.390 6.401 -6.751 1.00 0.00 H new ATOM 0 HA ASP 1 17 6.045 9.283 -6.747 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 8.045 8.171 -6.015 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 7.833 6.861 -7.160 1.00 0.00 H new ATOM 237 N CYS 1 18 6.162 9.359 -9.307 1.00 0.00 N ATOM 238 CA CYS 1 18 5.856 9.508 -10.723 1.00 0.00 C ATOM 239 C CYS 1 18 7.139 9.739 -11.518 1.00 0.00 C ATOM 240 O CYS 1 18 7.985 10.541 -11.125 1.00 0.00 O ATOM 241 CB CYS 1 18 4.898 10.679 -10.946 1.00 0.00 C ATOM 242 SG CYS 1 18 3.221 10.415 -10.284 1.00 0.00 S ATOM 0 H CYS 1 18 6.671 10.146 -8.905 1.00 0.00 H new ATOM 0 HA CYS 1 18 5.379 8.591 -11.067 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 5.321 11.572 -10.485 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 4.827 10.876 -12.016 1.00 0.00 H new ATOM 247 N GLY 1 19 7.281 9.037 -12.637 1.00 0.00 N ATOM 248 CA GLY 1 19 8.467 9.192 -13.465 1.00 0.00 C ATOM 249 C GLY 1 19 8.828 10.649 -13.688 1.00 0.00 C ATOM 250 O GLY 1 19 10.004 11.010 -13.712 1.00 0.00 O ATOM 0 H GLY 1 19 6.599 8.364 -12.987 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 9.306 8.680 -12.993 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 8.300 8.710 -14.428 1.00 0.00 H new ATOM 254 N SER 1 20 7.807 11.486 -13.841 1.00 0.00 N ATOM 255 CA SER 1 20 8.008 12.914 -14.051 1.00 0.00 C ATOM 256 C SER 1 20 6.992 13.722 -13.242 1.00 0.00 C ATOM 257 O SER 1 20 5.785 13.563 -13.422 1.00 0.00 O ATOM 258 CB SER 1 20 7.884 13.255 -15.537 1.00 0.00 C ATOM 259 OG SER 1 20 8.903 14.153 -15.941 1.00 0.00 O ATOM 0 H SER 1 20 6.829 11.198 -13.823 1.00 0.00 H new ATOM 0 HA SER 1 20 9.011 13.174 -13.712 1.00 0.00 H new ATOM 0 HB2 SER 1 20 7.944 12.342 -16.129 1.00 0.00 H new ATOM 0 HB3 SER 1 20 6.907 13.697 -15.732 1.00 0.00 H new ATOM 0 HG SER 1 20 8.803 14.354 -16.895 1.00 0.00 H new ATOM 265 N PRO 1 21 7.459 14.603 -12.336 1.00 0.00 N ATOM 266 CA PRO 1 21 6.570 15.425 -11.510 1.00 0.00 C ATOM 267 C PRO 1 21 5.572 16.217 -12.349 1.00 0.00 C ATOM 268 O PRO 1 21 4.503 16.594 -11.868 1.00 0.00 O ATOM 269 CB PRO 1 21 7.520 16.372 -10.762 1.00 0.00 C ATOM 270 CG PRO 1 21 8.838 16.249 -11.452 1.00 0.00 C ATOM 271 CD PRO 1 21 8.874 14.870 -12.044 1.00 0.00 C ATOM 0 HA PRO 1 21 5.962 14.813 -10.843 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 7.155 17.399 -10.794 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 7.601 16.096 -9.711 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 8.944 17.008 -12.227 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 9.660 16.393 -10.750 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 9.487 14.833 -12.945 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 9.287 14.141 -11.347 1.00 0.00 H new ATOM 279 N ALA 1 22 5.924 16.461 -13.607 1.00 0.00 N ATOM 280 CA ALA 1 22 5.055 17.201 -14.513 1.00 0.00 C ATOM 281 C ALA 1 22 4.044 16.269 -15.170 1.00 0.00 C ATOM 282 O ALA 1 22 2.925 16.672 -15.487 1.00 0.00 O ATOM 283 CB ALA 1 22 5.880 17.919 -15.570 1.00 0.00 C ATOM 0 H ALA 1 22 6.805 16.157 -14.022 1.00 0.00 H new ATOM 0 HA ALA 1 22 4.509 17.945 -13.933 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 5.217 18.467 -16.239 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 6.564 18.616 -15.086 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 6.451 17.189 -16.143 1.00 0.00 H new ATOM 289 N ASN 1 23 4.445 15.016 -15.361 1.00 0.00 N ATOM 290 CA ASN 1 23 3.576 14.016 -15.968 1.00 0.00 C ATOM 291 C ASN 1 23 3.102 13.014 -14.921 1.00 0.00 C ATOM 292 O ASN 1 23 2.718 11.891 -15.248 1.00 0.00 O ATOM 293 CB ASN 1 23 4.309 13.287 -17.096 1.00 0.00 C ATOM 294 CG ASN 1 23 4.092 13.943 -18.446 1.00 0.00 C ATOM 295 OD1 ASN 1 23 3.879 15.153 -18.533 1.00 0.00 O ATOM 296 ND2 ASN 1 23 4.145 13.147 -19.507 1.00 0.00 N ATOM 0 H ASN 1 23 5.369 14.669 -15.103 1.00 0.00 H new ATOM 0 HA ASN 1 23 2.707 14.525 -16.384 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 5.376 13.261 -16.875 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 3.967 12.253 -17.139 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 4.007 13.532 -20.441 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 4.324 12.150 -19.388 1.00 0.00 H new ATOM 303 N CYS 1 24 3.138 13.430 -13.660 1.00 0.00 N ATOM 304 CA CYS 1 24 2.722 12.581 -12.556 1.00 0.00 C ATOM 305 C CYS 1 24 1.262 12.179 -12.699 1.00 0.00 C ATOM 306 O CYS 1 24 0.370 12.820 -12.144 1.00 0.00 O ATOM 307 CB CYS 1 24 2.947 13.300 -11.228 1.00 0.00 C ATOM 308 SG CYS 1 24 2.610 12.280 -9.754 1.00 0.00 S ATOM 0 H CYS 1 24 3.454 14.358 -13.378 1.00 0.00 H new ATOM 0 HA CYS 1 24 3.326 11.674 -12.575 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 3.979 13.647 -11.187 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 2.312 14.185 -11.196 1.00 0.00 H new ATOM 313 N GLN 1 25 1.030 11.112 -13.452 1.00 0.00 N ATOM 314 CA GLN 1 25 -0.321 10.610 -13.680 1.00 0.00 C ATOM 315 C GLN 1 25 -0.786 9.722 -12.526 1.00 0.00 C ATOM 316 O GLN 1 25 -1.340 8.644 -12.743 1.00 0.00 O ATOM 317 CB GLN 1 25 -0.379 9.829 -14.995 1.00 0.00 C ATOM 318 CG GLN 1 25 0.605 8.672 -15.059 1.00 0.00 C ATOM 319 CD GLN 1 25 0.189 7.609 -16.057 1.00 0.00 C ATOM 320 OE1 GLN 1 25 -0.628 7.858 -16.943 1.00 0.00 O ATOM 321 NE2 GLN 1 25 0.751 6.414 -15.916 1.00 0.00 N ATOM 0 H GLN 1 25 1.762 10.575 -13.917 1.00 0.00 H new ATOM 0 HA GLN 1 25 -0.991 11.468 -13.740 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 -1.389 9.444 -15.135 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 -0.180 10.511 -15.822 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 1.591 9.052 -15.328 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 0.696 8.222 -14.071 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 1.424 6.252 -15.167 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 0.510 5.658 -16.557 1.00 0.00 H new ATOM 330 N ASP 1 26 -0.568 10.187 -11.299 1.00 0.00 N ATOM 331 CA ASP 1 26 -0.972 9.445 -10.114 1.00 0.00 C ATOM 332 C ASP 1 26 -1.549 10.396 -9.072 1.00 0.00 C ATOM 333 O ASP 1 26 -0.814 11.017 -8.306 1.00 0.00 O ATOM 334 CB ASP 1 26 0.218 8.683 -9.529 1.00 0.00 C ATOM 335 CG ASP 1 26 0.902 7.802 -10.556 1.00 0.00 C ATOM 336 OD1 ASP 1 26 0.193 7.213 -11.398 1.00 0.00 O ATOM 337 OD2 ASP 1 26 2.146 7.703 -10.519 1.00 0.00 O ATOM 0 H ASP 1 26 -0.112 11.078 -11.102 1.00 0.00 H new ATOM 0 HA ASP 1 26 -1.739 8.725 -10.399 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 0.939 9.394 -9.127 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 -0.122 8.068 -8.696 1.00 0.00 H new ATOM 342 N ARG 1 27 -2.869 10.515 -9.062 1.00 0.00 N ATOM 343 CA ARG 1 27 -3.551 11.401 -8.127 1.00 0.00 C ATOM 344 C ARG 1 27 -3.313 10.979 -6.680 1.00 0.00 C ATOM 345 O ARG 1 27 -3.443 11.789 -5.762 1.00 0.00 O ATOM 346 CB ARG 1 27 -5.048 11.422 -8.430 1.00 0.00 C ATOM 347 CG ARG 1 27 -5.820 12.451 -7.620 1.00 0.00 C ATOM 348 CD ARG 1 27 -6.029 13.735 -8.406 1.00 0.00 C ATOM 349 NE ARG 1 27 -6.681 14.768 -7.604 1.00 0.00 N ATOM 350 CZ ARG 1 27 -6.049 15.515 -6.702 1.00 0.00 C ATOM 351 NH1 ARG 1 27 -4.750 15.348 -6.484 1.00 0.00 N ATOM 352 NH2 ARG 1 27 -6.716 16.433 -6.016 1.00 0.00 N ATOM 0 H ARG 1 27 -3.491 10.008 -9.692 1.00 0.00 H new ATOM 0 HA ARG 1 27 -3.141 12.403 -8.252 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 -5.192 11.625 -9.491 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 -5.463 10.433 -8.235 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 -6.787 12.038 -7.332 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 -5.280 12.671 -6.699 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 -5.066 14.104 -8.760 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 -6.634 13.526 -9.288 1.00 0.00 H new ATOM 0 HE ARG 1 27 -7.679 14.926 -7.744 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 -4.231 14.644 -7.009 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 -4.271 15.924 -5.791 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 -7.714 16.567 -6.180 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 -6.231 17.005 -5.325 1.00 0.00 H new ATOM 366 N CYS 1 28 -2.965 9.712 -6.477 1.00 0.00 N ATOM 367 CA CYS 1 28 -2.713 9.201 -5.133 1.00 0.00 C ATOM 368 C CYS 1 28 -1.214 9.044 -4.865 1.00 0.00 C ATOM 369 O CYS 1 28 -0.816 8.562 -3.804 1.00 0.00 O ATOM 370 CB CYS 1 28 -3.431 7.864 -4.931 1.00 0.00 C ATOM 371 SG CYS 1 28 -5.167 8.031 -4.394 1.00 0.00 S ATOM 0 H CYS 1 28 -2.851 9.023 -7.221 1.00 0.00 H new ATOM 0 HA CYS 1 28 -3.105 9.927 -4.421 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 -3.402 7.303 -5.865 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 -2.886 7.279 -4.190 1.00 0.00 H new ATOM 376 N CYS 1 29 -0.386 9.460 -5.824 1.00 0.00 N ATOM 377 CA CYS 1 29 1.066 9.370 -5.679 1.00 0.00 C ATOM 378 C CYS 1 29 1.746 10.596 -6.287 1.00 0.00 C ATOM 379 O CYS 1 29 1.468 10.965 -7.427 1.00 0.00 O ATOM 380 CB CYS 1 29 1.595 8.103 -6.355 1.00 0.00 C ATOM 381 SG CYS 1 29 0.884 6.550 -5.720 1.00 0.00 S ATOM 0 H CYS 1 29 -0.696 9.862 -6.709 1.00 0.00 H new ATOM 0 HA CYS 1 29 1.296 9.329 -4.614 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 1.396 8.168 -7.425 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 2.678 8.068 -6.234 1.00 0.00 H new ATOM 386 N ASN 1 30 2.632 11.226 -5.522 1.00 0.00 N ATOM 387 CA ASN 1 30 3.341 12.414 -5.994 1.00 0.00 C ATOM 388 C ASN 1 30 4.833 12.142 -6.181 1.00 0.00 C ATOM 389 O ASN 1 30 5.482 11.544 -5.316 1.00 0.00 O ATOM 390 CB ASN 1 30 3.136 13.572 -5.014 1.00 0.00 C ATOM 391 CG ASN 1 30 3.904 14.819 -5.411 1.00 0.00 C ATOM 392 OD1 ASN 1 30 4.591 15.421 -4.448 1.00 0.00 O flip ATOM 393 ND2 ASN 1 30 3.880 15.234 -6.570 1.00 0.00 N flip ATOM 0 H ASN 1 30 2.877 10.936 -4.575 1.00 0.00 H new ATOM 0 HA ASN 1 30 2.928 12.685 -6.966 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 2.074 13.808 -4.955 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 3.449 13.259 -4.018 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 3.338 14.739 -7.278 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 4.402 16.073 -6.822 1.00 0.00 H new ATOM 400 N ALA 1 31 5.367 12.596 -7.317 1.00 0.00 N ATOM 401 CA ALA 1 31 6.781 12.422 -7.633 1.00 0.00 C ATOM 402 C ALA 1 31 7.642 13.388 -6.830 1.00 0.00 C ATOM 403 O ALA 1 31 8.708 13.025 -6.334 1.00 0.00 O ATOM 404 CB ALA 1 31 7.016 12.637 -9.120 1.00 0.00 C ATOM 0 H ALA 1 31 4.836 13.089 -8.035 1.00 0.00 H new ATOM 0 HA ALA 1 31 7.064 11.404 -7.367 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 8.075 12.505 -9.344 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 6.432 11.914 -9.689 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 6.711 13.647 -9.394 1.00 0.00 H new ATOM 410 N ALA 1 32 7.167 14.623 -6.709 1.00 0.00 N ATOM 411 CA ALA 1 32 7.885 15.654 -5.970 1.00 0.00 C ATOM 412 C ALA 1 32 8.183 15.209 -4.540 1.00 0.00 C ATOM 413 O ALA 1 32 9.049 15.775 -3.873 1.00 0.00 O ATOM 414 CB ALA 1 32 7.085 16.948 -5.965 1.00 0.00 C ATOM 0 H ALA 1 32 6.285 14.935 -7.115 1.00 0.00 H new ATOM 0 HA ALA 1 32 8.838 15.825 -6.471 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 7.631 17.711 -5.410 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 6.932 17.285 -6.990 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 6.119 16.776 -5.491 1.00 0.00 H new ATOM 420 N THR 1 33 7.461 14.195 -4.075 1.00 0.00 N ATOM 421 CA THR 1 33 7.648 13.679 -2.728 1.00 0.00 C ATOM 422 C THR 1 33 8.045 12.211 -2.762 1.00 0.00 C ATOM 423 O THR 1 33 8.617 11.690 -1.805 1.00 0.00 O ATOM 424 CB THR 1 33 6.356 13.835 -1.922 1.00 0.00 C ATOM 425 OG1 THR 1 33 6.589 13.582 -0.547 1.00 0.00 O ATOM 426 CG2 THR 1 33 5.246 12.905 -2.380 1.00 0.00 C ATOM 0 H THR 1 33 6.740 13.715 -4.614 1.00 0.00 H new ATOM 0 HA THR 1 33 8.447 14.250 -2.254 1.00 0.00 H new ATOM 0 HB THR 1 33 6.036 14.864 -2.086 1.00 0.00 H new ATOM 0 HG1 THR 1 33 5.752 13.688 -0.048 1.00 0.00 H new ATOM 0 HG21 THR 1 33 4.359 13.067 -1.767 1.00 0.00 H new ATOM 0 HG22 THR 1 33 5.008 13.109 -3.424 1.00 0.00 H new ATOM 0 HG23 THR 1 33 5.573 11.870 -2.278 1.00 0.00 H new ATOM 434 N CYS 1 34 7.706 11.539 -3.857 1.00 0.00 N ATOM 435 CA CYS 1 34 7.994 10.124 -3.992 1.00 0.00 C ATOM 436 C CYS 1 34 7.240 9.368 -2.908 1.00 0.00 C ATOM 437 O CYS 1 34 7.750 8.421 -2.316 1.00 0.00 O ATOM 438 CB CYS 1 34 9.502 9.859 -3.894 1.00 0.00 C ATOM 439 SG CYS 1 34 10.300 9.493 -5.494 1.00 0.00 S ATOM 0 H CYS 1 34 7.233 11.954 -4.660 1.00 0.00 H new ATOM 0 HA CYS 1 34 7.668 9.779 -4.973 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 9.985 10.730 -3.450 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 9.670 9.022 -3.217 1.00 0.00 H new ATOM 444 N LYS 1 35 6.015 9.817 -2.649 1.00 0.00 N ATOM 445 CA LYS 1 35 5.171 9.209 -1.626 1.00 0.00 C ATOM 446 C LYS 1 35 3.700 9.523 -1.876 1.00 0.00 C ATOM 447 O LYS 1 35 3.364 10.307 -2.764 1.00 0.00 O ATOM 448 CB LYS 1 35 5.573 9.706 -0.235 1.00 0.00 C ATOM 449 CG LYS 1 35 7.047 9.515 0.080 1.00 0.00 C ATOM 450 CD LYS 1 35 7.349 9.822 1.538 1.00 0.00 C ATOM 451 CE LYS 1 35 7.479 11.317 1.777 1.00 0.00 C ATOM 452 NZ LYS 1 35 8.764 11.854 1.250 1.00 0.00 N ATOM 0 H LYS 1 35 5.584 10.603 -3.136 1.00 0.00 H new ATOM 0 HA LYS 1 35 5.312 8.129 -1.676 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 5.327 10.765 -0.152 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 4.980 9.181 0.514 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 7.338 8.489 -0.145 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 7.644 10.164 -0.561 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 6.555 9.420 2.168 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 8.273 9.324 1.832 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 6.647 11.835 1.300 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 7.411 11.521 2.846 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 8.900 12.827 1.592 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 9.550 11.258 1.579 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 8.740 11.853 0.210 1.00 0.00 H new ATOM 466 N LEU 1 36 2.827 8.899 -1.092 1.00 0.00 N ATOM 467 CA LEU 1 36 1.389 9.102 -1.229 1.00 0.00 C ATOM 468 C LEU 1 36 1.021 10.576 -1.087 1.00 0.00 C ATOM 469 O LEU 1 36 1.653 11.316 -0.333 1.00 0.00 O ATOM 470 CB LEU 1 36 0.636 8.275 -0.186 1.00 0.00 C ATOM 471 CG LEU 1 36 0.601 6.769 -0.454 1.00 0.00 C ATOM 472 CD1 LEU 1 36 0.679 5.992 0.852 1.00 0.00 C ATOM 473 CD2 LEU 1 36 -0.656 6.395 -1.224 1.00 0.00 C ATOM 0 H LEU 1 36 3.091 8.247 -0.353 1.00 0.00 H new ATOM 0 HA LEU 1 36 1.099 8.773 -2.227 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 1.094 8.444 0.789 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 -0.389 8.641 -0.125 1.00 0.00 H new ATOM 0 HG LEU 1 36 1.467 6.507 -1.061 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 0.653 4.923 0.641 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 1.608 6.238 1.367 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 -0.168 6.258 1.485 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 -0.665 5.320 -1.406 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 -1.535 6.672 -0.642 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 -0.670 6.925 -2.177 1.00 0.00 H new ATOM 485 N THR 1 37 -0.010 10.991 -1.816 1.00 0.00 N ATOM 486 CA THR 1 37 -0.474 12.374 -1.776 1.00 0.00 C ATOM 487 C THR 1 37 -1.480 12.573 -0.645 1.00 0.00 C ATOM 488 O THR 1 37 -1.997 11.605 -0.088 1.00 0.00 O ATOM 489 CB THR 1 37 -1.113 12.755 -3.113 1.00 0.00 C ATOM 490 OG1 THR 1 37 -1.596 11.604 -3.782 1.00 0.00 O ATOM 491 CG2 THR 1 37 -0.162 13.465 -4.051 1.00 0.00 C ATOM 0 H THR 1 37 -0.542 10.388 -2.443 1.00 0.00 H new ATOM 0 HA THR 1 37 0.386 13.018 -1.594 1.00 0.00 H new ATOM 0 HB THR 1 37 -1.925 13.437 -2.861 1.00 0.00 H new ATOM 0 HG1 THR 1 37 -2.229 11.873 -4.480 1.00 0.00 H new ATOM 0 HG21 THR 1 37 -0.679 13.706 -4.980 1.00 0.00 H new ATOM 0 HG22 THR 1 37 0.192 14.384 -3.583 1.00 0.00 H new ATOM 0 HG23 THR 1 37 0.688 12.817 -4.267 1.00 0.00 H new ATOM 499 N PRO 1 38 -1.779 13.836 -0.293 1.00 0.00 N ATOM 500 CA PRO 1 38 -2.735 14.150 0.774 1.00 0.00 C ATOM 501 C PRO 1 38 -4.112 13.556 0.497 1.00 0.00 C ATOM 502 O PRO 1 38 -4.771 13.919 -0.477 1.00 0.00 O ATOM 503 CB PRO 1 38 -2.800 15.684 0.774 1.00 0.00 C ATOM 504 CG PRO 1 38 -2.229 16.102 -0.539 1.00 0.00 C ATOM 505 CD PRO 1 38 -1.219 15.052 -0.903 1.00 0.00 C ATOM 0 HA PRO 1 38 -2.426 13.733 1.732 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 -3.826 16.034 0.886 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 -2.228 16.102 1.603 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 -3.008 16.174 -1.298 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 -1.762 17.084 -0.467 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 -1.112 14.950 -1.983 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 -0.231 15.286 -0.506 1.00 0.00 H new ATOM 513 N GLY 1 39 -4.537 12.637 1.357 1.00 0.00 N ATOM 514 CA GLY 1 39 -5.830 12.001 1.185 1.00 0.00 C ATOM 515 C GLY 1 39 -5.705 10.528 0.849 1.00 0.00 C ATOM 516 O GLY 1 39 -6.588 9.733 1.169 1.00 0.00 O ATOM 0 H GLY 1 39 -4.009 12.321 2.170 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 -6.413 12.115 2.099 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 -6.379 12.507 0.391 1.00 0.00 H new ATOM 520 N SER 1 40 -4.599 10.164 0.206 1.00 0.00 N ATOM 521 CA SER 1 40 -4.353 8.779 -0.173 1.00 0.00 C ATOM 522 C SER 1 40 -3.348 8.137 0.775 1.00 0.00 C ATOM 523 O SER 1 40 -2.265 8.674 1.004 1.00 0.00 O ATOM 524 CB SER 1 40 -3.835 8.705 -1.609 1.00 0.00 C ATOM 525 OG SER 1 40 -2.450 9.003 -1.669 1.00 0.00 O ATOM 0 H SER 1 40 -3.858 10.812 -0.063 1.00 0.00 H new ATOM 0 HA SER 1 40 -5.294 8.233 -0.108 1.00 0.00 H new ATOM 0 HB2 SER 1 40 -4.013 7.708 -2.012 1.00 0.00 H new ATOM 0 HB3 SER 1 40 -4.388 9.405 -2.235 1.00 0.00 H new ATOM 0 HG SER 1 40 -2.091 8.717 -2.535 1.00 0.00 H new ATOM 531 N GLN 1 41 -3.715 6.988 1.330 1.00 0.00 N ATOM 532 CA GLN 1 41 -2.844 6.278 2.258 1.00 0.00 C ATOM 533 C GLN 1 41 -2.375 4.949 1.675 1.00 0.00 C ATOM 534 O GLN 1 41 -1.325 4.431 2.056 1.00 0.00 O ATOM 535 CB GLN 1 41 -3.573 6.034 3.580 1.00 0.00 C ATOM 536 CG GLN 1 41 -3.826 7.302 4.379 1.00 0.00 C ATOM 537 CD GLN 1 41 -3.624 7.103 5.868 1.00 0.00 C ATOM 538 OE1 GLN 1 41 -2.497 6.942 6.337 1.00 0.00 O ATOM 539 NE2 GLN 1 41 -4.718 7.113 6.621 1.00 0.00 N ATOM 0 H GLN 1 41 -4.609 6.529 1.154 1.00 0.00 H new ATOM 0 HA GLN 1 41 -1.967 6.900 2.435 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 -4.527 5.548 3.375 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 -2.987 5.343 4.186 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 -3.158 8.088 4.027 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 -4.845 7.645 4.197 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 -5.632 7.250 6.190 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 -4.644 6.984 7.630 1.00 0.00 H new ATOM 548 N CYS 1 42 -3.160 4.393 0.758 1.00 0.00 N ATOM 549 CA CYS 1 42 -2.821 3.115 0.141 1.00 0.00 C ATOM 550 C CYS 1 42 -3.083 3.123 -1.360 1.00 0.00 C ATOM 551 O CYS 1 42 -4.218 2.951 -1.803 1.00 0.00 O ATOM 552 CB CYS 1 42 -3.616 1.994 0.793 1.00 0.00 C ATOM 553 SG CYS 1 42 -2.646 0.475 1.049 1.00 0.00 S ATOM 0 H CYS 1 42 -4.032 4.805 0.426 1.00 0.00 H new ATOM 0 HA CYS 1 42 -1.755 2.949 0.295 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 -3.996 2.340 1.754 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 -4.481 1.763 0.172 1.00 0.00 H new ATOM 558 N ASN 1 43 -2.022 3.300 -2.137 1.00 0.00 N ATOM 559 CA ASN 1 43 -2.133 3.303 -3.590 1.00 0.00 C ATOM 560 C ASN 1 43 -1.565 2.013 -4.178 1.00 0.00 C ATOM 561 O ASN 1 43 -1.486 1.856 -5.396 1.00 0.00 O ATOM 562 CB ASN 1 43 -1.403 4.509 -4.181 1.00 0.00 C ATOM 563 CG ASN 1 43 -1.599 4.619 -5.681 1.00 0.00 C ATOM 564 OD1 ASN 1 43 -2.577 5.200 -6.150 1.00 0.00 O ATOM 565 ND2 ASN 1 43 -0.664 4.060 -6.442 1.00 0.00 N ATOM 0 H ASN 1 43 -1.075 3.443 -1.786 1.00 0.00 H new ATOM 0 HA ASN 1 43 -3.190 3.369 -3.847 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 -1.762 5.420 -3.702 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 -0.338 4.431 -3.960 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 -0.741 4.103 -7.458 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 0.130 3.588 -6.010 1.00 0.00 H new ATOM 572 N TYR 1 44 -1.171 1.089 -3.303 1.00 0.00 N ATOM 573 CA TYR 1 44 -0.612 -0.187 -3.733 1.00 0.00 C ATOM 574 C TYR 1 44 -0.350 -1.078 -2.519 1.00 0.00 C ATOM 575 O TYR 1 44 0.398 -0.709 -1.614 1.00 0.00 O ATOM 576 CB TYR 1 44 0.670 0.042 -4.550 1.00 0.00 C ATOM 577 CG TYR 1 44 1.941 -0.410 -3.865 1.00 0.00 C ATOM 578 CD1 TYR 1 44 2.201 -1.759 -3.673 1.00 0.00 C ATOM 579 CD2 TYR 1 44 2.873 0.511 -3.410 1.00 0.00 C ATOM 580 CE1 TYR 1 44 3.353 -2.180 -3.045 1.00 0.00 C ATOM 581 CE2 TYR 1 44 4.031 0.100 -2.781 1.00 0.00 C ATOM 582 CZ TYR 1 44 4.267 -1.247 -2.600 1.00 0.00 C ATOM 583 OH TYR 1 44 5.420 -1.663 -1.973 1.00 0.00 O ATOM 0 H TYR 1 44 -1.230 1.203 -2.291 1.00 0.00 H new ATOM 0 HA TYR 1 44 -1.330 -0.696 -4.377 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 0.578 -0.483 -5.501 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 0.754 1.104 -4.780 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 1.488 -2.492 -4.022 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 2.690 1.566 -3.550 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 3.539 -3.234 -2.902 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 4.748 0.829 -2.433 1.00 0.00 H new ATOM 0 HH TYR 1 44 5.956 -0.882 -1.723 1.00 0.00 H new ATOM 593 N GLY 1 45 -0.993 -2.240 -2.499 1.00 0.00 N ATOM 594 CA GLY 1 45 -0.844 -3.158 -1.385 1.00 0.00 C ATOM 595 C GLY 1 45 -2.166 -3.798 -0.993 1.00 0.00 C ATOM 596 O GLY 1 45 -3.225 -3.389 -1.470 1.00 0.00 O ATOM 0 H GLY 1 45 -1.617 -2.564 -3.238 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -0.129 -3.937 -1.650 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -0.431 -2.625 -0.529 1.00 0.00 H new ATOM 600 N GLU 1 46 -2.105 -4.807 -0.131 1.00 0.00 N ATOM 601 CA GLU 1 46 -3.304 -5.514 0.312 1.00 0.00 C ATOM 602 C GLU 1 46 -4.272 -4.597 1.059 1.00 0.00 C ATOM 603 O GLU 1 46 -5.480 -4.633 0.825 1.00 0.00 O ATOM 604 CB GLU 1 46 -2.913 -6.683 1.215 1.00 0.00 C ATOM 605 CG GLU 1 46 -2.567 -7.952 0.453 1.00 0.00 C ATOM 606 CD GLU 1 46 -1.499 -7.728 -0.599 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -1.762 -6.978 -1.562 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -0.398 -8.302 -0.459 1.00 0.00 O ATOM 0 H GLU 1 46 -1.237 -5.155 0.276 1.00 0.00 H new ATOM 0 HA GLU 1 46 -3.813 -5.880 -0.580 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -2.058 -6.390 1.824 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -3.735 -6.893 1.900 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -2.225 -8.712 1.156 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -3.466 -8.341 -0.025 1.00 0.00 H new ATOM 615 N CYS 1 47 -3.739 -3.800 1.975 1.00 0.00 N ATOM 616 CA CYS 1 47 -4.557 -2.896 2.781 1.00 0.00 C ATOM 617 C CYS 1 47 -5.199 -1.786 1.953 1.00 0.00 C ATOM 618 O CYS 1 47 -6.050 -1.054 2.452 1.00 0.00 O ATOM 619 CB CYS 1 47 -3.704 -2.276 3.888 1.00 0.00 C ATOM 620 SG CYS 1 47 -4.460 -2.359 5.540 1.00 0.00 S ATOM 0 H CYS 1 47 -2.741 -3.759 2.181 1.00 0.00 H new ATOM 0 HA CYS 1 47 -5.364 -3.491 3.209 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 -2.739 -2.782 3.916 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 -3.509 -1.232 3.641 1.00 0.00 H new ATOM 625 N CYS 1 48 -4.777 -1.630 0.710 1.00 0.00 N ATOM 626 CA CYS 1 48 -5.313 -0.573 -0.132 1.00 0.00 C ATOM 627 C CYS 1 48 -6.701 -0.891 -0.669 1.00 0.00 C ATOM 628 O CYS 1 48 -6.991 -2.011 -1.088 1.00 0.00 O ATOM 629 CB CYS 1 48 -4.351 -0.275 -1.276 1.00 0.00 C ATOM 630 SG CYS 1 48 -2.610 -0.363 -0.787 1.00 0.00 S ATOM 0 H CYS 1 48 -4.071 -2.216 0.264 1.00 0.00 H new ATOM 0 HA CYS 1 48 -5.418 0.312 0.495 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 -4.530 -0.982 -2.086 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 -4.561 0.720 -1.669 1.00 0.00 H new ATOM 635 N ASP 1 49 -7.546 0.133 -0.652 1.00 0.00 N ATOM 636 CA ASP 1 49 -8.916 0.038 -1.130 1.00 0.00 C ATOM 637 C ASP 1 49 -9.483 1.441 -1.306 1.00 0.00 C ATOM 638 O ASP 1 49 -9.694 2.160 -0.328 1.00 0.00 O ATOM 639 CB ASP 1 49 -9.775 -0.761 -0.148 1.00 0.00 C ATOM 640 CG ASP 1 49 -11.175 -1.011 -0.676 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -11.308 -1.726 -1.691 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -12.137 -0.492 -0.073 1.00 0.00 O ATOM 0 H ASP 1 49 -7.296 1.058 -0.303 1.00 0.00 H new ATOM 0 HA ASP 1 49 -8.926 -0.482 -2.088 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -9.292 -1.716 0.060 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -9.837 -0.223 0.798 1.00 0.00 H new ATOM 647 N GLN 1 50 -9.700 1.842 -2.553 1.00 0.00 N ATOM 648 CA GLN 1 50 -10.214 3.175 -2.842 1.00 0.00 C ATOM 649 C GLN 1 50 -9.206 4.233 -2.398 1.00 0.00 C ATOM 650 O GLN 1 50 -9.579 5.341 -2.014 1.00 0.00 O ATOM 651 CB GLN 1 50 -11.555 3.399 -2.138 1.00 0.00 C ATOM 652 CG GLN 1 50 -12.437 4.430 -2.823 1.00 0.00 C ATOM 653 CD GLN 1 50 -13.797 4.560 -2.167 1.00 0.00 C ATOM 654 OE1 GLN 1 50 -14.386 3.572 -1.730 1.00 0.00 O ATOM 655 NE2 GLN 1 50 -14.304 5.786 -2.095 1.00 0.00 N ATOM 0 H GLN 1 50 -9.529 1.266 -3.377 1.00 0.00 H new ATOM 0 HA GLN 1 50 -10.369 3.261 -3.918 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 -12.091 2.451 -2.086 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 -11.369 3.717 -1.112 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 -11.937 5.398 -2.809 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 -12.567 4.154 -3.869 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 -13.781 6.577 -2.470 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 -15.216 5.936 -1.664 1.00 0.00 H new ATOM 664 N CYS 1 51 -7.925 3.872 -2.453 1.00 0.00 N ATOM 665 CA CYS 1 51 -6.844 4.771 -2.058 1.00 0.00 C ATOM 666 C CYS 1 51 -6.875 5.043 -0.556 1.00 0.00 C ATOM 667 O CYS 1 51 -6.484 6.118 -0.101 1.00 0.00 O ATOM 668 CB CYS 1 51 -6.917 6.084 -2.843 1.00 0.00 C ATOM 669 SG CYS 1 51 -5.848 6.119 -4.321 1.00 0.00 S ATOM 0 H CYS 1 51 -7.610 2.955 -2.770 1.00 0.00 H new ATOM 0 HA CYS 1 51 -5.899 4.280 -2.293 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 -7.949 6.257 -3.148 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 -6.637 6.906 -2.184 1.00 0.00 H new ATOM 674 N ARG 1 52 -7.335 4.055 0.210 1.00 0.00 N ATOM 675 CA ARG 1 52 -7.409 4.178 1.663 1.00 0.00 C ATOM 676 C ARG 1 52 -7.116 2.835 2.329 1.00 0.00 C ATOM 677 O ARG 1 52 -7.532 1.788 1.833 1.00 0.00 O ATOM 678 CB ARG 1 52 -8.790 4.682 2.086 1.00 0.00 C ATOM 679 CG ARG 1 52 -8.886 6.196 2.169 1.00 0.00 C ATOM 680 CD ARG 1 52 -8.638 6.694 3.584 1.00 0.00 C ATOM 681 NE ARG 1 52 -8.057 8.034 3.599 1.00 0.00 N ATOM 682 CZ ARG 1 52 -8.045 8.825 4.670 1.00 0.00 C ATOM 683 NH1 ARG 1 52 -8.582 8.414 5.812 1.00 0.00 N ATOM 684 NH2 ARG 1 52 -7.495 10.029 4.598 1.00 0.00 N ATOM 0 H ARG 1 52 -7.662 3.160 -0.153 1.00 0.00 H new ATOM 0 HA ARG 1 52 -6.658 4.899 1.985 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 -9.533 4.318 1.377 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 -9.041 4.257 3.058 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 -8.160 6.645 1.492 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 -9.873 6.518 1.837 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 -9.578 6.700 4.136 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 -7.970 6.004 4.099 1.00 0.00 H new ATOM 0 HE ARG 1 52 -7.636 8.384 2.739 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 -9.006 7.488 5.872 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 -8.570 9.024 6.630 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 -7.081 10.349 3.722 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 -7.486 10.635 5.418 1.00 0.00 H new ATOM 698 N PHE 1 53 -6.396 2.866 3.448 1.00 0.00 N ATOM 699 CA PHE 1 53 -6.055 1.637 4.160 1.00 0.00 C ATOM 700 C PHE 1 53 -7.302 0.905 4.616 1.00 0.00 C ATOM 701 O PHE 1 53 -8.278 1.519 5.047 1.00 0.00 O ATOM 702 CB PHE 1 53 -5.166 1.921 5.375 1.00 0.00 C ATOM 703 CG PHE 1 53 -3.763 2.309 5.019 1.00 0.00 C ATOM 704 CD1 PHE 1 53 -3.136 1.747 3.922 1.00 0.00 C ATOM 705 CD2 PHE 1 53 -3.068 3.232 5.783 1.00 0.00 C ATOM 706 CE1 PHE 1 53 -1.849 2.095 3.591 1.00 0.00 C ATOM 707 CE2 PHE 1 53 -1.774 3.586 5.455 1.00 0.00 C ATOM 708 CZ PHE 1 53 -1.162 3.016 4.356 1.00 0.00 C ATOM 0 H PHE 1 53 -6.040 3.720 3.878 1.00 0.00 H new ATOM 0 HA PHE 1 53 -5.505 1.008 3.459 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 -5.616 2.720 5.964 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 -5.138 1.035 6.009 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 -3.665 1.025 3.318 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 -3.543 3.679 6.644 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 -1.374 1.647 2.731 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 -1.242 4.307 6.057 1.00 0.00 H new ATOM 0 HZ PHE 1 53 -0.150 3.290 4.096 1.00 0.00 H new ATOM 718 N LYS 1 54 -7.254 -0.414 4.532 1.00 0.00 N ATOM 719 CA LYS 1 54 -8.377 -1.237 4.952 1.00 0.00 C ATOM 720 C LYS 1 54 -8.532 -1.159 6.464 1.00 0.00 C ATOM 721 O LYS 1 54 -7.763 -1.772 7.204 1.00 0.00 O ATOM 722 CB LYS 1 54 -8.174 -2.690 4.520 1.00 0.00 C ATOM 723 CG LYS 1 54 -8.316 -2.908 3.023 1.00 0.00 C ATOM 724 CD LYS 1 54 -9.762 -3.157 2.630 1.00 0.00 C ATOM 725 CE LYS 1 54 -9.857 -3.984 1.358 1.00 0.00 C ATOM 726 NZ LYS 1 54 -10.104 -5.424 1.648 1.00 0.00 N ATOM 0 H LYS 1 54 -6.453 -0.937 4.178 1.00 0.00 H new ATOM 0 HA LYS 1 54 -9.283 -0.862 4.476 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -7.183 -3.018 4.833 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -8.897 -3.319 5.040 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -7.938 -2.035 2.490 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -7.704 -3.757 2.718 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -10.277 -3.673 3.440 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -10.270 -2.204 2.485 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -10.661 -3.597 0.733 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -8.933 -3.882 0.789 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -10.162 -5.953 0.755 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -9.324 -5.801 2.223 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -10.999 -5.525 2.169 1.00 0.00 H new ATOM 740 N LYS 1 55 -9.524 -0.389 6.913 1.00 0.00 N ATOM 741 CA LYS 1 55 -9.788 -0.208 8.341 1.00 0.00 C ATOM 742 C LYS 1 55 -9.432 -1.458 9.134 1.00 0.00 C ATOM 743 O LYS 1 55 -9.851 -2.565 8.786 1.00 0.00 O ATOM 744 CB LYS 1 55 -11.258 0.151 8.567 1.00 0.00 C ATOM 745 CG LYS 1 55 -11.586 0.490 10.012 1.00 0.00 C ATOM 746 CD LYS 1 55 -10.993 1.829 10.418 1.00 0.00 C ATOM 747 CE LYS 1 55 -10.786 1.914 11.921 1.00 0.00 C ATOM 748 NZ LYS 1 55 -9.531 1.237 12.349 1.00 0.00 N ATOM 0 H LYS 1 55 -10.162 0.123 6.303 1.00 0.00 H new ATOM 0 HA LYS 1 55 -9.159 0.609 8.695 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 -11.517 1.001 7.935 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 -11.881 -0.685 8.248 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 -12.668 0.515 10.145 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 -11.202 -0.293 10.667 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 -10.040 1.975 9.910 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 -11.653 2.634 10.095 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 -10.755 2.960 12.224 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 -11.635 1.459 12.431 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 -9.478 1.229 13.388 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 -9.526 0.259 11.994 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 -8.712 1.749 11.965 1.00 0.00 H new ATOM 762 N ALA 1 56 -8.645 -1.278 10.192 1.00 0.00 N ATOM 763 CA ALA 1 56 -8.226 -2.397 11.025 1.00 0.00 C ATOM 764 C ALA 1 56 -9.380 -3.355 11.257 1.00 0.00 C ATOM 765 O ALA 1 56 -10.482 -2.942 11.618 1.00 0.00 O ATOM 766 CB ALA 1 56 -7.681 -1.915 12.354 1.00 0.00 C ATOM 0 H ALA 1 56 -8.287 -0.371 10.490 1.00 0.00 H new ATOM 0 HA ALA 1 56 -7.431 -2.923 10.496 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 -7.376 -2.772 12.955 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 -6.821 -1.268 12.181 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 -8.454 -1.357 12.883 1.00 0.00 H new ATOM 772 N GLY 1 57 -9.129 -4.627 11.024 1.00 0.00 N ATOM 773 CA GLY 1 57 -10.167 -5.621 11.186 1.00 0.00 C ATOM 774 C GLY 1 57 -10.532 -6.257 9.864 1.00 0.00 C ATOM 775 O GLY 1 57 -11.235 -7.266 9.823 1.00 0.00 O ATOM 0 H GLY 1 57 -8.225 -4.993 10.725 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -9.831 -6.390 11.881 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -11.051 -5.158 11.625 1.00 0.00 H new ATOM 779 N THR 1 58 -10.035 -5.671 8.775 1.00 0.00 N ATOM 780 CA THR 1 58 -10.290 -6.197 7.446 1.00 0.00 C ATOM 781 C THR 1 58 -9.405 -7.408 7.188 1.00 0.00 C ATOM 782 O THR 1 58 -8.180 -7.289 7.136 1.00 0.00 O ATOM 783 CB THR 1 58 -10.025 -5.130 6.384 1.00 0.00 C ATOM 784 OG1 THR 1 58 -10.862 -4.004 6.579 1.00 0.00 O ATOM 785 CG2 THR 1 58 -10.254 -5.639 4.982 1.00 0.00 C ATOM 0 H THR 1 58 -9.454 -4.833 8.793 1.00 0.00 H new ATOM 0 HA THR 1 58 -11.337 -6.495 7.389 1.00 0.00 H new ATOM 0 HB THR 1 58 -8.976 -4.855 6.495 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -10.528 -3.474 7.333 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -10.052 -4.841 4.268 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -9.587 -6.479 4.786 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -11.289 -5.965 4.878 1.00 0.00 H new ATOM 793 N VAL 1 59 -10.021 -8.571 7.033 1.00 0.00 N ATOM 794 CA VAL 1 59 -9.266 -9.791 6.790 1.00 0.00 C ATOM 795 C VAL 1 59 -8.755 -9.844 5.354 1.00 0.00 C ATOM 796 O VAL 1 59 -9.541 -9.833 4.406 1.00 0.00 O ATOM 797 CB VAL 1 59 -10.113 -11.049 7.069 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -11.331 -11.090 6.158 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -9.274 -12.310 6.907 1.00 0.00 C ATOM 0 H VAL 1 59 -11.033 -8.695 7.071 1.00 0.00 H new ATOM 0 HA VAL 1 59 -8.419 -9.777 7.476 1.00 0.00 H new ATOM 0 HB VAL 1 59 -10.462 -11.004 8.101 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -11.915 -11.985 6.371 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -11.945 -10.206 6.332 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -11.007 -11.108 5.118 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -9.891 -13.186 7.108 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -8.890 -12.363 5.888 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -8.440 -12.285 7.608 1.00 0.00 H new ATOM 809 N CYS 1 60 -7.435 -9.897 5.196 1.00 0.00 N ATOM 810 CA CYS 1 60 -6.834 -9.947 3.862 1.00 0.00 C ATOM 811 C CYS 1 60 -6.232 -11.321 3.555 1.00 0.00 C ATOM 812 O CYS 1 60 -5.920 -11.623 2.403 1.00 0.00 O ATOM 813 CB CYS 1 60 -5.754 -8.873 3.711 1.00 0.00 C ATOM 814 SG CYS 1 60 -6.050 -7.362 4.682 1.00 0.00 S ATOM 0 H CYS 1 60 -6.765 -9.906 5.965 1.00 0.00 H new ATOM 0 HA CYS 1 60 -7.636 -9.759 3.149 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -4.794 -9.297 4.006 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -5.673 -8.603 2.658 1.00 0.00 H new ATOM 819 N ARG 1 61 -6.063 -12.147 4.584 1.00 0.00 N ATOM 820 CA ARG 1 61 -5.488 -13.483 4.409 1.00 0.00 C ATOM 821 C ARG 1 61 -5.987 -14.440 5.491 1.00 0.00 C ATOM 822 O ARG 1 61 -6.761 -14.056 6.368 1.00 0.00 O ATOM 823 CB ARG 1 61 -3.952 -13.408 4.445 1.00 0.00 C ATOM 824 CG ARG 1 61 -3.258 -14.476 3.610 1.00 0.00 C ATOM 825 CD ARG 1 61 -1.824 -14.091 3.266 1.00 0.00 C ATOM 826 NE ARG 1 61 -1.088 -13.569 4.419 1.00 0.00 N ATOM 827 CZ ARG 1 61 -0.954 -12.271 4.692 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -1.544 -11.356 3.932 1.00 0.00 N ATOM 829 NH2 ARG 1 61 -0.228 -11.886 5.732 1.00 0.00 N ATOM 0 H ARG 1 61 -6.314 -11.918 5.546 1.00 0.00 H new ATOM 0 HA ARG 1 61 -5.807 -13.864 3.439 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -3.638 -12.425 4.092 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -3.619 -13.497 5.479 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -3.259 -15.420 4.155 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -3.820 -14.639 2.690 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -1.302 -14.963 2.872 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -1.833 -13.340 2.476 1.00 0.00 H new ATOM 0 HE ARG 1 61 -0.651 -14.239 5.052 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -2.106 -11.644 3.131 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 -1.435 -10.365 4.149 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 0.227 -12.582 6.322 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 -0.124 -10.893 5.942 1.00 0.00 H new ATOM 843 N ILE 1 62 -5.528 -15.685 5.427 1.00 0.00 N ATOM 844 CA ILE 1 62 -5.907 -16.700 6.400 1.00 0.00 C ATOM 845 C ILE 1 62 -5.278 -18.039 6.044 1.00 0.00 C ATOM 846 O ILE 1 62 -5.292 -18.461 4.888 1.00 0.00 O ATOM 847 CB ILE 1 62 -7.436 -16.861 6.508 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -7.792 -17.967 7.507 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -8.044 -17.156 5.146 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -7.332 -17.676 8.919 1.00 0.00 C ATOM 0 H ILE 1 62 -4.888 -16.016 4.705 1.00 0.00 H new ATOM 0 HA ILE 1 62 -5.536 -16.365 7.369 1.00 0.00 H new ATOM 0 HB ILE 1 62 -7.853 -15.922 6.871 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -8.872 -18.111 7.508 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -7.346 -18.904 7.174 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -9.124 -17.266 5.246 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -7.824 -16.335 4.464 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -7.620 -18.079 4.751 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -7.618 -18.501 9.572 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -6.248 -17.561 8.932 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -7.798 -16.756 9.271 1.00 0.00 H new ATOM 862 N ALA 1 63 -4.719 -18.697 7.048 1.00 0.00 N ATOM 863 CA ALA 1 63 -4.072 -19.986 6.849 1.00 0.00 C ATOM 864 C ALA 1 63 -5.063 -21.029 6.347 1.00 0.00 C ATOM 865 O ALA 1 63 -5.071 -21.371 5.164 1.00 0.00 O ATOM 866 CB ALA 1 63 -3.405 -20.446 8.135 1.00 0.00 C ATOM 0 H ALA 1 63 -4.700 -18.360 8.010 1.00 0.00 H new ATOM 0 HA ALA 1 63 -3.304 -19.867 6.084 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -2.925 -21.411 7.971 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -2.655 -19.715 8.438 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -4.155 -20.542 8.920 1.00 0.00 H new ATOM 872 N ARG 1 64 -5.899 -21.530 7.247 1.00 0.00 N ATOM 873 CA ARG 1 64 -6.895 -22.534 6.884 1.00 0.00 C ATOM 874 C ARG 1 64 -7.783 -22.889 8.072 1.00 0.00 C ATOM 875 O ARG 1 64 -7.683 -23.982 8.631 1.00 0.00 O ATOM 876 CB ARG 1 64 -6.209 -23.793 6.350 1.00 0.00 C ATOM 877 CG ARG 1 64 -7.008 -24.512 5.275 1.00 0.00 C ATOM 878 CD ARG 1 64 -7.039 -23.717 3.979 1.00 0.00 C ATOM 879 NE ARG 1 64 -8.137 -24.132 3.109 1.00 0.00 N ATOM 880 CZ ARG 1 64 -9.415 -23.840 3.338 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -9.761 -23.133 4.407 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -10.351 -24.256 2.496 1.00 0.00 N ATOM 0 H ARG 1 64 -5.909 -21.260 8.231 1.00 0.00 H new ATOM 0 HA ARG 1 64 -7.526 -22.110 6.103 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -5.234 -23.522 5.946 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -6.031 -24.479 7.178 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -6.571 -25.494 5.091 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -8.027 -24.677 5.626 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -7.138 -22.656 4.207 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -6.092 -23.843 3.453 1.00 0.00 H new ATOM 0 HE ARG 1 64 -7.911 -24.678 2.277 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -9.046 -22.810 5.058 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -10.742 -22.912 4.577 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -10.091 -24.800 1.673 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -11.331 -24.032 2.671 1.00 0.00 H new ATOM 896 N GLY 1 65 -8.655 -21.962 8.451 1.00 0.00 N ATOM 897 CA GLY 1 65 -9.548 -22.201 9.568 1.00 0.00 C ATOM 898 C GLY 1 65 -9.880 -20.933 10.327 1.00 0.00 C ATOM 899 O GLY 1 65 -10.537 -20.036 9.798 1.00 0.00 O ATOM 0 H GLY 1 65 -8.759 -21.051 8.005 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -10.470 -22.653 9.202 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -9.089 -22.918 10.249 1.00 0.00 H new ATOM 903 N ASP 1 66 -9.423 -20.861 11.571 1.00 0.00 N ATOM 904 CA ASP 1 66 -9.669 -19.696 12.411 1.00 0.00 C ATOM 905 C ASP 1 66 -8.824 -19.758 13.679 1.00 0.00 C ATOM 906 O ASP 1 66 -9.291 -20.192 14.732 1.00 0.00 O ATOM 907 CB ASP 1 66 -11.152 -19.605 12.775 1.00 0.00 C ATOM 908 CG ASP 1 66 -11.709 -20.925 13.270 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -12.185 -21.720 12.433 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -11.667 -21.164 14.496 1.00 0.00 O ATOM 0 H ASP 1 66 -8.879 -21.597 12.021 1.00 0.00 H new ATOM 0 HA ASP 1 66 -9.388 -18.806 11.849 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -11.288 -18.845 13.545 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -11.718 -19.280 11.902 1.00 0.00 H new ATOM 915 N TRP 1 67 -7.574 -19.326 13.563 1.00 0.00 N ATOM 916 CA TRP 1 67 -6.646 -19.332 14.690 1.00 0.00 C ATOM 917 C TRP 1 67 -6.205 -17.913 15.019 1.00 0.00 C ATOM 918 O TRP 1 67 -6.567 -17.354 16.055 1.00 0.00 O ATOM 919 CB TRP 1 67 -5.420 -20.194 14.359 1.00 0.00 C ATOM 920 CG TRP 1 67 -5.386 -20.657 12.933 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -5.111 -19.903 11.827 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -5.647 -21.980 12.461 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -5.196 -20.676 10.698 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -5.518 -21.957 11.061 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -5.977 -23.182 13.088 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -5.708 -23.091 10.278 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -6.166 -24.309 12.311 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -6.030 -24.257 10.918 1.00 0.00 C ATOM 0 H TRP 1 67 -7.177 -18.965 12.695 1.00 0.00 H new ATOM 0 HA TRP 1 67 -7.155 -19.753 15.557 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -4.516 -19.623 14.570 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -5.408 -21.064 15.016 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -4.863 -18.852 11.840 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -5.044 -20.350 9.743 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -6.083 -23.231 14.162 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -5.605 -23.053 9.204 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -6.423 -25.245 12.785 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -6.182 -25.155 10.337 1.00 0.00 H new ATOM 939 N ASN 1 68 -5.429 -17.340 14.115 1.00 0.00 N ATOM 940 CA ASN 1 68 -4.931 -15.980 14.269 1.00 0.00 C ATOM 941 C ASN 1 68 -5.606 -15.065 13.268 1.00 0.00 C ATOM 942 O ASN 1 68 -6.017 -13.953 13.599 1.00 0.00 O ATOM 943 CB ASN 1 68 -3.423 -15.927 14.046 1.00 0.00 C ATOM 944 CG ASN 1 68 -2.696 -17.110 14.657 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -2.753 -18.252 13.981 1.00 0.00 O flip ATOM 946 ND2 ASN 1 68 -2.090 -16.998 15.722 1.00 0.00 N flip ATOM 0 H ASN 1 68 -5.126 -17.800 13.257 1.00 0.00 H new ATOM 0 HA ASN 1 68 -5.155 -15.652 15.284 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -3.220 -15.895 12.976 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -3.029 -15.005 14.473 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -2.073 -16.101 16.207 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -1.605 -17.802 16.120 1.00 0.00 H new ATOM 953 N ASP 1 69 -5.711 -15.547 12.035 1.00 0.00 N ATOM 954 CA ASP 1 69 -6.331 -14.786 10.964 1.00 0.00 C ATOM 955 C ASP 1 69 -5.436 -13.647 10.517 1.00 0.00 C ATOM 956 O ASP 1 69 -4.537 -13.222 11.242 1.00 0.00 O ATOM 957 CB ASP 1 69 -7.666 -14.210 11.417 1.00 0.00 C ATOM 958 CG ASP 1 69 -8.536 -15.233 12.121 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -8.403 -15.377 13.354 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -9.351 -15.889 11.439 1.00 0.00 O ATOM 0 H ASP 1 69 -5.372 -16.467 11.754 1.00 0.00 H new ATOM 0 HA ASP 1 69 -6.490 -15.469 10.130 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -7.486 -13.370 12.087 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -8.201 -13.818 10.552 1.00 0.00 H new ATOM 965 N ASP 1 70 -5.707 -13.142 9.326 1.00 0.00 N ATOM 966 CA ASP 1 70 -4.951 -12.033 8.781 1.00 0.00 C ATOM 967 C ASP 1 70 -5.822 -10.799 8.742 1.00 0.00 C ATOM 968 O ASP 1 70 -6.878 -10.801 8.117 1.00 0.00 O ATOM 969 CB ASP 1 70 -4.441 -12.377 7.387 1.00 0.00 C ATOM 970 CG ASP 1 70 -3.593 -11.276 6.788 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -4.159 -10.391 6.113 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -2.365 -11.301 6.989 1.00 0.00 O ATOM 0 H ASP 1 70 -6.449 -13.486 8.717 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.089 -11.836 9.418 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -3.856 -13.295 7.435 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -5.290 -12.573 6.732 1.00 0.00 H new ATOM 977 N TYR 1 71 -5.399 -9.759 9.443 1.00 0.00 N ATOM 978 CA TYR 1 71 -6.185 -8.543 9.507 1.00 0.00 C ATOM 979 C TYR 1 71 -5.358 -7.288 9.343 1.00 0.00 C ATOM 980 O TYR 1 71 -4.268 -7.161 9.899 1.00 0.00 O ATOM 981 CB TYR 1 71 -6.913 -8.484 10.834 1.00 0.00 C ATOM 982 CG TYR 1 71 -8.091 -9.404 10.887 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -9.241 -9.087 10.199 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -8.050 -10.584 11.611 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -10.337 -9.912 10.224 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -9.138 -11.427 11.648 1.00 0.00 C ATOM 987 CZ TYR 1 71 -10.287 -11.088 10.953 1.00 0.00 C ATOM 988 OH TYR 1 71 -11.380 -11.924 10.984 1.00 0.00 O ATOM 0 H TYR 1 71 -4.526 -9.734 9.969 1.00 0.00 H new ATOM 0 HA TYR 1 71 -6.886 -8.578 8.673 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -6.220 -8.741 11.636 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -7.247 -7.462 11.016 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -9.281 -8.171 9.628 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -7.154 -10.846 12.153 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -11.231 -9.646 9.680 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -9.096 -12.345 12.215 1.00 0.00 H new ATOM 0 HH TYR 1 71 -11.178 -12.706 11.540 1.00 0.00 H new ATOM 998 N CYS 1 72 -5.912 -6.353 8.590 1.00 0.00 N ATOM 999 CA CYS 1 72 -5.264 -5.081 8.353 1.00 0.00 C ATOM 1000 C CYS 1 72 -5.249 -4.252 9.632 1.00 0.00 C ATOM 1001 O CYS 1 72 -5.953 -4.566 10.591 1.00 0.00 O ATOM 1002 CB CYS 1 72 -5.991 -4.336 7.240 1.00 0.00 C ATOM 1003 SG CYS 1 72 -5.067 -4.287 5.677 1.00 0.00 S ATOM 0 H CYS 1 72 -6.817 -6.456 8.130 1.00 0.00 H new ATOM 0 HA CYS 1 72 -4.233 -5.254 8.046 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -6.957 -4.810 7.067 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 -6.191 -3.316 7.567 1.00 0.00 H new ATOM 1008 N THR 1 73 -4.441 -3.200 9.646 1.00 0.00 N ATOM 1009 CA THR 1 73 -4.339 -2.339 10.819 1.00 0.00 C ATOM 1010 C THR 1 73 -4.690 -0.890 10.482 1.00 0.00 C ATOM 1011 O THR 1 73 -4.514 0.006 11.307 1.00 0.00 O ATOM 1012 CB THR 1 73 -2.928 -2.416 11.405 1.00 0.00 C ATOM 1013 OG1 THR 1 73 -2.031 -1.611 10.661 1.00 0.00 O ATOM 1014 CG2 THR 1 73 -2.369 -3.824 11.432 1.00 0.00 C ATOM 0 H THR 1 73 -3.849 -2.922 8.863 1.00 0.00 H new ATOM 0 HA THR 1 73 -5.057 -2.693 11.559 1.00 0.00 H new ATOM 0 HB THR 1 73 -3.020 -2.058 12.431 1.00 0.00 H new ATOM 0 HG1 THR 1 73 -1.135 -1.672 11.052 1.00 0.00 H new ATOM 0 HG21 THR 1 73 -1.366 -3.809 11.859 1.00 0.00 H new ATOM 0 HG22 THR 1 73 -3.013 -4.459 12.040 1.00 0.00 H new ATOM 0 HG23 THR 1 73 -2.325 -4.218 10.417 1.00 0.00 H new ATOM 1022 N GLY 1 74 -5.190 -0.665 9.268 1.00 0.00 N ATOM 1023 CA GLY 1 74 -5.558 0.678 8.853 1.00 0.00 C ATOM 1024 C GLY 1 74 -4.441 1.685 9.056 1.00 0.00 C ATOM 1025 O GLY 1 74 -4.694 2.884 9.174 1.00 0.00 O ATOM 0 H GLY 1 74 -5.346 -1.388 8.566 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 -5.840 0.663 7.800 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 -6.436 0.999 9.414 1.00 0.00 H new ATOM 1029 N LYS 1 75 -3.204 1.200 9.098 1.00 0.00 N ATOM 1030 CA LYS 1 75 -2.050 2.072 9.291 1.00 0.00 C ATOM 1031 C LYS 1 75 -0.971 1.817 8.237 1.00 0.00 C ATOM 1032 O LYS 1 75 0.083 2.452 8.257 1.00 0.00 O ATOM 1033 CB LYS 1 75 -1.465 1.872 10.690 1.00 0.00 C ATOM 1034 CG LYS 1 75 -2.439 2.203 11.809 1.00 0.00 C ATOM 1035 CD LYS 1 75 -1.742 2.898 12.968 1.00 0.00 C ATOM 1036 CE LYS 1 75 -2.733 3.322 14.040 1.00 0.00 C ATOM 1037 NZ LYS 1 75 -3.936 3.978 13.457 1.00 0.00 N ATOM 0 H LYS 1 75 -2.975 0.211 9.001 1.00 0.00 H new ATOM 0 HA LYS 1 75 -2.392 3.101 9.184 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 -1.142 0.836 10.795 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 -0.577 2.495 10.796 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 -3.233 2.843 11.424 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 -2.912 1.287 12.164 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 -0.999 2.228 13.402 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 -1.206 3.773 12.600 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 -3.039 2.449 14.617 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 -2.246 4.008 14.734 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 -4.355 4.622 14.158 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 -3.662 4.518 12.612 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 -4.633 3.253 13.193 1.00 0.00 H new ATOM 1051 N SER 1 76 -1.233 0.889 7.319 1.00 0.00 N ATOM 1052 CA SER 1 76 -0.272 0.567 6.271 1.00 0.00 C ATOM 1053 C SER 1 76 -0.914 -0.282 5.178 1.00 0.00 C ATOM 1054 O SER 1 76 -2.059 -0.711 5.304 1.00 0.00 O ATOM 1055 CB SER 1 76 0.929 -0.172 6.864 1.00 0.00 C ATOM 1056 OG SER 1 76 2.100 0.063 6.101 1.00 0.00 O ATOM 0 H SER 1 76 -2.098 0.350 7.281 1.00 0.00 H new ATOM 0 HA SER 1 76 0.065 1.503 5.825 1.00 0.00 H new ATOM 0 HB2 SER 1 76 1.089 0.154 7.892 1.00 0.00 H new ATOM 0 HB3 SER 1 76 0.722 -1.242 6.898 1.00 0.00 H new ATOM 0 HG SER 1 76 2.854 -0.419 6.502 1.00 0.00 H new ATOM 1062 N SER 1 77 -0.157 -0.526 4.112 1.00 0.00 N ATOM 1063 CA SER 1 77 -0.631 -1.333 2.990 1.00 0.00 C ATOM 1064 C SER 1 77 -0.357 -2.816 3.232 1.00 0.00 C ATOM 1065 O SER 1 77 -0.469 -3.632 2.316 1.00 0.00 O ATOM 1066 CB SER 1 77 0.062 -0.890 1.699 1.00 0.00 C ATOM 1067 OG SER 1 77 1.356 -1.457 1.592 1.00 0.00 O ATOM 0 H SER 1 77 0.794 -0.174 4.001 1.00 0.00 H new ATOM 0 HA SER 1 77 -1.707 -1.188 2.897 1.00 0.00 H new ATOM 0 HB2 SER 1 77 -0.540 -1.186 0.840 1.00 0.00 H new ATOM 0 HB3 SER 1 77 0.135 0.197 1.677 1.00 0.00 H new ATOM 0 HG SER 1 77 1.776 -1.159 0.758 1.00 0.00 H new ATOM 1073 N ASP 1 78 0.014 -3.159 4.463 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.319 -4.543 4.808 1.00 0.00 C ATOM 1075 C ASP 1 78 -0.744 -5.140 5.724 1.00 0.00 C ATOM 1076 O ASP 1 78 -1.312 -4.451 6.572 1.00 0.00 O ATOM 1077 CB ASP 1 78 1.690 -4.630 5.480 1.00 0.00 C ATOM 1078 CG ASP 1 78 2.828 -4.587 4.479 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 2.665 -5.139 3.370 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 3.882 -4.001 4.804 1.00 0.00 O ATOM 0 H ASP 1 78 0.110 -2.499 5.235 1.00 0.00 H new ATOM 0 HA ASP 1 78 0.330 -5.119 3.883 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 1.799 -3.806 6.185 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 1.751 -5.553 6.056 1.00 0.00 H new ATOM 1085 N CYS 1 79 -1.002 -6.430 5.541 1.00 0.00 N ATOM 1086 CA CYS 1 79 -1.993 -7.141 6.343 1.00 0.00 C ATOM 1087 C CYS 1 79 -1.359 -8.335 7.060 1.00 0.00 C ATOM 1088 O CYS 1 79 -1.103 -9.368 6.443 1.00 0.00 O ATOM 1089 CB CYS 1 79 -3.133 -7.624 5.449 1.00 0.00 C ATOM 1090 SG CYS 1 79 -4.770 -7.562 6.240 1.00 0.00 S ATOM 0 H CYS 1 79 -0.537 -7.008 4.841 1.00 0.00 H new ATOM 0 HA CYS 1 79 -2.384 -6.454 7.094 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -3.154 -7.016 4.545 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -2.929 -8.649 5.139 1.00 0.00 H new ATOM 1095 N PRO 1 80 -1.091 -8.210 8.374 1.00 0.00 N ATOM 1096 CA PRO 1 80 -0.482 -9.290 9.167 1.00 0.00 C ATOM 1097 C PRO 1 80 -1.439 -10.460 9.401 1.00 0.00 C ATOM 1098 O PRO 1 80 -2.574 -10.268 9.837 1.00 0.00 O ATOM 1099 CB PRO 1 80 -0.149 -8.604 10.494 1.00 0.00 C ATOM 1100 CG PRO 1 80 -1.132 -7.490 10.596 1.00 0.00 C ATOM 1101 CD PRO 1 80 -1.350 -7.008 9.189 1.00 0.00 C ATOM 0 HA PRO 1 80 0.380 -9.727 8.663 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 -0.243 -9.294 11.332 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 0.875 -8.231 10.502 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -2.066 -7.832 11.042 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 -0.751 -6.689 11.229 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 -2.364 -6.635 9.044 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 -0.671 -6.194 8.933 1.00 0.00 H new ATOM 1109 N TRP 1 81 -0.974 -11.674 9.101 1.00 0.00 N ATOM 1110 CA TRP 1 81 -1.795 -12.876 9.275 1.00 0.00 C ATOM 1111 C TRP 1 81 -1.573 -13.544 10.627 1.00 0.00 C ATOM 1112 O TRP 1 81 -2.376 -14.368 11.065 1.00 0.00 O ATOM 1113 CB TRP 1 81 -1.549 -13.879 8.152 1.00 0.00 C ATOM 1114 CG TRP 1 81 -0.128 -14.338 8.005 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 0.996 -13.836 8.601 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 0.306 -15.411 7.179 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 2.103 -14.534 8.175 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 1.699 -15.509 7.302 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -0.364 -16.295 6.346 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 2.437 -16.465 6.611 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 0.363 -17.248 5.659 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 1.754 -17.326 5.794 1.00 0.00 C ATOM 0 H TRP 1 81 -0.038 -11.852 8.738 1.00 0.00 H new ATOM 0 HA TRP 1 81 -2.833 -12.546 9.236 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -2.180 -14.751 8.321 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -1.869 -13.432 7.211 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 1.012 -13.014 9.302 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 3.065 -14.355 8.462 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -1.437 -16.239 6.236 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 3.510 -16.526 6.715 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 -0.149 -17.942 5.009 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 2.299 -18.079 5.244 1.00 0.00 H new ATOM 1133 N ASN 1 82 -0.488 -13.184 11.278 1.00 0.00 N ATOM 1134 CA ASN 1 82 -0.152 -13.738 12.586 1.00 0.00 C ATOM 1135 C ASN 1 82 0.020 -15.250 12.511 1.00 0.00 C ATOM 1136 O ASN 1 82 -0.958 -15.997 12.547 1.00 0.00 O ATOM 1137 CB ASN 1 82 -1.239 -13.391 13.603 1.00 0.00 C ATOM 1138 CG ASN 1 82 -1.324 -11.901 13.874 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -0.770 -11.405 14.855 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -2.020 -11.180 13.004 1.00 0.00 N ATOM 0 H ASN 1 82 0.186 -12.505 10.925 1.00 0.00 H new ATOM 0 HA ASN 1 82 0.793 -13.298 12.905 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -2.202 -13.746 13.237 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -1.040 -13.916 14.537 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -2.112 -10.173 13.135 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -2.463 -11.633 12.205 1.00 0.00 H new ATOM 1147 N HIS 1 83 1.267 -15.696 12.409 1.00 0.00 N ATOM 1148 CA HIS 1 83 1.561 -17.121 12.330 1.00 0.00 C ATOM 1149 C HIS 1 83 3.013 -17.401 12.704 1.00 0.00 C ATOM 1150 O HIS 1 83 3.242 -18.003 13.774 1.00 0.00 O ATOM 1151 CB HIS 1 83 1.273 -17.640 10.923 1.00 0.00 C ATOM 1152 CG HIS 1 83 -0.180 -17.895 10.676 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -1.127 -17.131 10.081 1.00 0.00 N flip ATOM 1154 CD2 HIS 1 83 -0.816 -19.051 11.072 1.00 0.00 C flip ATOM 1155 CE1 HIS 1 83 -2.304 -17.834 10.129 1.00 0.00 C flip ATOM 1156 NE2 HIS 1 83 -2.089 -18.989 10.731 1.00 0.00 N flip ATOM 1157 OXT HIS 1 83 3.909 -17.017 11.923 1.00 0.00 O ATOM 0 H HIS 1 83 2.089 -15.092 12.379 1.00 0.00 H new ATOM 0 HA HIS 1 83 0.919 -17.641 13.041 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 1.638 -16.916 10.194 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 1.830 -18.563 10.762 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -0.346 -19.879 11.582 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -3.253 -17.497 9.738 1.00 0.00 H new ATOM 0 HE2 HIS 1 83 -2.788 -19.711 10.903 1.00 0.00 H new TER 1166 HIS 1 83