USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=17 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 68 ASN :FLIP amide:sc= -0.619 F(o=-11,f=-9.3) USER MOD Set 1.2: 1 83 HIS :FLIP no HD1:sc= -8.73! C(o=-12!,f=-9.3!) USER MOD Set 2.1: 1 25 GLN : amide:sc= 0 X(o=-12,f=-12) USER MOD Set 2.2: 1 30 ASN : amide:sc= -5.26! C(o=-12!,f=-23!) USER MOD Set 2.3: 1 33 THR OG1 : rot 180:sc= -6.49! USER MOD Single : 1 1 SER N :NH3+ -135:sc= -1.83 (180deg=-4.74!) USER MOD Single : 1 1 SER OG : rot 180:sc= 0 USER MOD Single : 1 7 ASN : amide:sc= -0.0275 X(o=-0.028,f=0) USER MOD Single : 1 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 12 GLN : amide:sc= -1.29 K(o=-1.3,f=-4.1!) USER MOD Single : 1 20 SER OG : rot 4:sc= 1.03 USER MOD Single : 1 23 ASN : amide:sc= -3.49 K(o=-3.5,f=-7.5!) USER MOD Single : 1 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 37 THR OG1 : rot -142:sc= -0.95 USER MOD Single : 1 40 SER OG : rot 180:sc= -0.265 USER MOD Single : 1 41 GLN :FLIP amide:sc= -0.588 F(o=-1.4,f=-0.59) USER MOD Single : 1 43 ASN : amide:sc= -4.17! C(o=-4.2!,f=-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) USER MOD Single : 1 54 LYS NZ :NH3+ 179:sc= 1.21 (180deg=1.14) USER MOD Single : 1 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 58 THR OG1 : rot 77:sc= 1.26 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+ -162:sc= -0.0203 (180deg=-0.265) USER MOD Single : 1 76 SER OG : rot -45:sc= 0.369 USER MOD Single : 1 77 SER OG : rot -35:sc= 0.303! USER MOD Single : 1 82 ASN : amide:sc= 0.47 K(o=0.47,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 1 N SER 1 1 -4.768 15.986 19.364 1.00 0.00 N ATOM 2 CA SER 1 1 -3.675 16.351 20.309 1.00 0.00 C ATOM 3 C SER 1 1 -2.390 16.714 19.564 1.00 0.00 C ATOM 4 O SER 1 1 -1.815 17.779 19.788 1.00 0.00 O ATOM 5 CB SER 1 1 -3.424 15.175 21.258 1.00 0.00 C ATOM 6 OG SER 1 1 -4.022 15.404 22.522 1.00 0.00 O ATOM 0 H1 SER 1 1 -5.650 16.454 19.656 1.00 0.00 H new ATOM 0 H2 SER 1 1 -4.514 16.294 18.404 1.00 0.00 H new ATOM 0 H3 SER 1 1 -4.904 14.955 19.372 1.00 0.00 H new ATOM 0 HA SER 1 1 -3.982 17.229 20.877 1.00 0.00 H new ATOM 0 HB2 SER 1 1 -3.825 14.260 20.823 1.00 0.00 H new ATOM 0 HB3 SER 1 1 -2.351 15.025 21.381 1.00 0.00 H new ATOM 0 HG SER 1 1 -3.849 14.639 23.109 1.00 0.00 H new ATOM 14 N PRO 1 2 -1.921 15.832 18.663 1.00 0.00 N ATOM 15 CA PRO 1 2 -0.708 16.064 17.888 1.00 0.00 C ATOM 16 C PRO 1 2 -0.993 16.808 16.587 1.00 0.00 C ATOM 17 O PRO 1 2 -2.077 16.680 16.017 1.00 0.00 O ATOM 18 CB PRO 1 2 -0.232 14.645 17.603 1.00 0.00 C ATOM 19 CG PRO 1 2 -1.488 13.845 17.478 1.00 0.00 C ATOM 20 CD PRO 1 2 -2.536 14.536 18.321 1.00 0.00 C ATOM 0 HA PRO 1 2 0.019 16.685 18.411 1.00 0.00 H new ATOM 0 HB2 PRO 1 2 0.359 14.601 16.688 1.00 0.00 H new ATOM 0 HB3 PRO 1 2 0.399 14.269 18.408 1.00 0.00 H new ATOM 0 HG2 PRO 1 2 -1.807 13.787 16.437 1.00 0.00 H new ATOM 0 HG3 PRO 1 2 -1.330 12.822 17.820 1.00 0.00 H new ATOM 0 HD2 PRO 1 2 -3.467 14.669 17.770 1.00 0.00 H new ATOM 0 HD3 PRO 1 2 -2.774 13.959 19.215 1.00 0.00 H new ATOM 28 N PRO 1 3 -0.027 17.604 16.098 1.00 0.00 N ATOM 29 CA PRO 1 3 -0.198 18.367 14.863 1.00 0.00 C ATOM 30 C PRO 1 3 0.009 17.524 13.616 1.00 0.00 C ATOM 31 O PRO 1 3 1.023 16.841 13.474 1.00 0.00 O ATOM 32 CB PRO 1 3 0.886 19.436 14.973 1.00 0.00 C ATOM 33 CG PRO 1 3 1.973 18.786 15.761 1.00 0.00 C ATOM 34 CD PRO 1 3 1.297 17.829 16.710 1.00 0.00 C ATOM 0 HA PRO 1 3 -1.209 18.762 14.762 1.00 0.00 H new ATOM 0 HB2 PRO 1 3 1.239 19.746 13.989 1.00 0.00 H new ATOM 0 HB3 PRO 1 3 0.513 20.330 15.473 1.00 0.00 H new ATOM 0 HG2 PRO 1 3 2.666 18.258 15.105 1.00 0.00 H new ATOM 0 HG3 PRO 1 3 2.554 19.529 16.307 1.00 0.00 H new ATOM 0 HD2 PRO 1 3 1.857 16.899 16.806 1.00 0.00 H new ATOM 0 HD3 PRO 1 3 1.209 18.253 17.710 1.00 0.00 H new ATOM 42 N VAL 1 4 -0.957 17.594 12.707 1.00 0.00 N ATOM 43 CA VAL 1 4 -0.904 16.873 11.477 1.00 0.00 C ATOM 44 C VAL 1 4 0.257 17.366 10.629 1.00 0.00 C ATOM 45 O VAL 1 4 0.119 18.298 9.837 1.00 0.00 O ATOM 46 CB VAL 1 4 -2.235 17.054 10.736 1.00 0.00 C ATOM 47 CG1 VAL 1 4 -2.478 18.521 10.418 1.00 0.00 C ATOM 48 CG2 VAL 1 4 -2.277 16.219 9.485 1.00 0.00 C ATOM 0 H VAL 1 4 -1.797 18.161 12.820 1.00 0.00 H new ATOM 0 HA VAL 1 4 -0.746 15.813 11.677 1.00 0.00 H new ATOM 0 HB VAL 1 4 -3.035 16.711 11.392 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 -3.427 18.627 9.893 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 -2.510 19.094 11.345 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 -1.671 18.895 9.788 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 -3.232 16.367 8.980 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 -1.466 16.517 8.821 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 -2.164 15.167 9.746 1.00 0.00 H new ATOM 58 N CYS 1 5 1.410 16.742 10.815 1.00 0.00 N ATOM 59 CA CYS 1 5 2.604 17.133 10.073 1.00 0.00 C ATOM 60 C CYS 1 5 2.425 16.785 8.600 1.00 0.00 C ATOM 61 O CYS 1 5 2.633 15.645 8.185 1.00 0.00 O ATOM 62 CB CYS 1 5 3.876 16.452 10.631 1.00 0.00 C ATOM 63 SG CYS 1 5 3.654 15.518 12.192 1.00 0.00 S ATOM 0 H CYS 1 5 1.547 15.969 11.467 1.00 0.00 H new ATOM 0 HA CYS 1 5 2.734 18.209 10.185 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 4.264 15.771 9.873 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 4.636 17.217 10.791 1.00 0.00 H new ATOM 68 N GLY 1 6 2.018 17.785 7.819 1.00 0.00 N ATOM 69 CA GLY 1 6 1.788 17.585 6.400 1.00 0.00 C ATOM 70 C GLY 1 6 0.311 17.427 6.067 1.00 0.00 C ATOM 71 O GLY 1 6 -0.039 17.037 4.953 1.00 0.00 O ATOM 0 H GLY 1 6 1.843 18.734 8.148 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 2.194 18.432 5.846 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 2.329 16.699 6.069 1.00 0.00 H new ATOM 75 N ASN 1 7 -0.557 17.727 7.037 1.00 0.00 N ATOM 76 CA ASN 1 7 -2.004 17.611 6.848 1.00 0.00 C ATOM 77 C ASN 1 7 -2.388 16.165 6.535 1.00 0.00 C ATOM 78 O ASN 1 7 -1.643 15.453 5.863 1.00 0.00 O ATOM 79 CB ASN 1 7 -2.476 18.527 5.716 1.00 0.00 C ATOM 80 CG ASN 1 7 -2.905 19.892 6.217 1.00 0.00 C ATOM 81 OD1 ASN 1 7 -2.263 20.902 5.930 1.00 0.00 O ATOM 82 ND2 ASN 1 7 -3.997 19.929 6.971 1.00 0.00 N ATOM 0 H ASN 1 7 -0.281 18.053 7.963 1.00 0.00 H new ATOM 0 HA ASN 1 7 -2.491 17.916 7.774 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 -1.672 18.646 4.990 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 -3.309 18.056 5.195 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 -4.334 20.819 7.337 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 -4.499 19.067 7.184 1.00 0.00 H new ATOM 89 N LYS 1 8 -3.547 15.726 7.028 1.00 0.00 N ATOM 90 CA LYS 1 8 -3.994 14.358 6.795 1.00 0.00 C ATOM 91 C LYS 1 8 -3.958 14.036 5.317 1.00 0.00 C ATOM 92 O LYS 1 8 -4.727 14.592 4.533 1.00 0.00 O ATOM 93 CB LYS 1 8 -5.407 14.138 7.337 1.00 0.00 C ATOM 94 CG LYS 1 8 -5.732 12.674 7.604 1.00 0.00 C ATOM 95 CD LYS 1 8 -5.722 11.848 6.322 1.00 0.00 C ATOM 96 CE LYS 1 8 -6.817 10.793 6.334 1.00 0.00 C ATOM 97 NZ LYS 1 8 -6.389 9.541 5.652 1.00 0.00 N ATOM 0 H LYS 1 8 -4.185 16.294 7.585 1.00 0.00 H new ATOM 0 HA LYS 1 8 -3.314 13.691 7.325 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 -5.525 14.703 8.262 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 -6.128 14.538 6.624 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 -5.007 12.263 8.307 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 -6.711 12.600 8.077 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 -5.857 12.505 5.463 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 -4.751 11.366 6.205 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 -7.094 10.569 7.364 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 -7.707 11.188 5.843 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 -7.163 8.847 5.682 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 -6.149 9.750 4.662 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 -5.555 9.150 6.135 1.00 0.00 H new ATOM 111 N ILE 1 9 -3.056 13.143 4.933 1.00 0.00 N ATOM 112 CA ILE 1 9 -2.940 12.775 3.520 1.00 0.00 C ATOM 113 C ILE 1 9 -4.299 12.441 2.930 1.00 0.00 C ATOM 114 O ILE 1 9 -4.999 11.547 3.406 1.00 0.00 O ATOM 115 CB ILE 1 9 -1.996 11.586 3.267 1.00 0.00 C ATOM 116 CG1 ILE 1 9 -2.464 10.341 4.031 1.00 0.00 C ATOM 117 CG2 ILE 1 9 -0.572 11.963 3.623 1.00 0.00 C ATOM 118 CD1 ILE 1 9 -1.571 9.949 5.184 1.00 0.00 C ATOM 0 H ILE 1 9 -2.406 12.667 5.559 1.00 0.00 H new ATOM 0 HA ILE 1 9 -2.513 13.652 3.033 1.00 0.00 H new ATOM 0 HB ILE 1 9 -2.021 11.338 2.206 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 -3.471 10.518 4.410 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 -2.528 9.504 3.335 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 0.086 11.114 3.440 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 -0.255 12.807 3.010 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 -0.521 12.240 4.676 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 -1.973 9.060 5.670 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 -0.569 9.737 4.812 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 -1.526 10.767 5.903 1.00 0.00 H new ATOM 130 N LEU 1 10 -4.667 13.167 1.889 1.00 0.00 N ATOM 131 CA LEU 1 10 -5.942 12.948 1.230 1.00 0.00 C ATOM 132 C LEU 1 10 -5.799 11.967 0.074 1.00 0.00 C ATOM 133 O LEU 1 10 -6.703 11.822 -0.747 1.00 0.00 O ATOM 134 CB LEU 1 10 -6.521 14.277 0.737 1.00 0.00 C ATOM 135 CG LEU 1 10 -5.554 15.194 -0.028 1.00 0.00 C ATOM 136 CD1 LEU 1 10 -4.775 16.077 0.936 1.00 0.00 C ATOM 137 CD2 LEU 1 10 -4.604 14.393 -0.911 1.00 0.00 C ATOM 0 H LEU 1 10 -4.102 13.912 1.482 1.00 0.00 H new ATOM 0 HA LEU 1 10 -6.630 12.514 1.956 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 -7.372 14.062 0.091 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 -6.904 14.825 1.598 1.00 0.00 H new ATOM 0 HG LEU 1 10 -6.150 15.833 -0.679 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 -4.096 16.718 0.374 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 -5.469 16.694 1.506 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 -4.201 15.451 1.619 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 -3.935 15.074 -1.437 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 -4.018 13.714 -0.292 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 -5.179 13.818 -1.636 1.00 0.00 H new ATOM 149 N GLU 1 11 -4.652 11.299 0.019 1.00 0.00 N ATOM 150 CA GLU 1 11 -4.381 10.333 -1.040 1.00 0.00 C ATOM 151 C GLU 1 11 -3.002 9.688 -0.891 1.00 0.00 C ATOM 152 O GLU 1 11 -2.340 9.410 -1.891 1.00 0.00 O ATOM 153 CB GLU 1 11 -4.462 11.023 -2.401 1.00 0.00 C ATOM 154 CG GLU 1 11 -3.352 12.039 -2.621 1.00 0.00 C ATOM 155 CD GLU 1 11 -2.467 11.693 -3.803 1.00 0.00 C ATOM 156 OE1 GLU 1 11 -3.004 11.533 -4.919 1.00 0.00 O ATOM 157 OE2 GLU 1 11 -1.238 11.583 -3.612 1.00 0.00 O ATOM 0 H GLU 1 11 -3.896 11.408 0.694 1.00 0.00 H new ATOM 0 HA GLU 1 11 -5.133 9.548 -0.964 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 -4.418 10.269 -3.187 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 -5.427 11.522 -2.492 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 -3.792 13.024 -2.778 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 -2.740 12.103 -1.721 1.00 0.00 H new ATOM 164 N GLN 1 12 -2.561 9.448 0.340 1.00 0.00 N ATOM 165 CA GLN 1 12 -1.251 8.835 0.544 1.00 0.00 C ATOM 166 C GLN 1 12 -1.012 8.426 1.996 1.00 0.00 C ATOM 167 O GLN 1 12 -0.215 9.046 2.700 1.00 0.00 O ATOM 168 CB GLN 1 12 -0.135 9.780 0.079 1.00 0.00 C ATOM 169 CG GLN 1 12 -0.426 11.257 0.302 1.00 0.00 C ATOM 170 CD GLN 1 12 0.167 12.136 -0.782 1.00 0.00 C ATOM 171 OE1 GLN 1 12 -0.543 12.899 -1.436 1.00 0.00 O ATOM 172 NE2 GLN 1 12 1.476 12.032 -0.977 1.00 0.00 N ATOM 0 H GLN 1 12 -3.076 9.662 1.194 1.00 0.00 H new ATOM 0 HA GLN 1 12 -1.235 7.926 -0.057 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 0.785 9.521 0.603 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 0.045 9.614 -0.983 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 -1.505 11.410 0.340 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 -0.027 11.560 1.270 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 2.026 11.386 -0.411 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 1.932 12.598 -1.693 1.00 0.00 H new ATOM 181 N GLY 1 13 -1.684 7.363 2.433 1.00 0.00 N ATOM 182 CA GLY 1 13 -1.509 6.872 3.793 1.00 0.00 C ATOM 183 C GLY 1 13 -0.220 6.078 3.963 1.00 0.00 C ATOM 184 O GLY 1 13 -0.145 5.168 4.789 1.00 0.00 O ATOM 0 H GLY 1 13 -2.348 6.831 1.870 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 -1.506 7.716 4.483 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 -2.358 6.243 4.061 1.00 0.00 H new ATOM 188 N GLU 1 14 0.790 6.428 3.170 1.00 0.00 N ATOM 189 CA GLU 1 14 2.094 5.767 3.199 1.00 0.00 C ATOM 190 C GLU 1 14 2.879 6.168 1.962 1.00 0.00 C ATOM 191 O GLU 1 14 3.544 5.348 1.329 1.00 0.00 O ATOM 192 CB GLU 1 14 1.935 4.243 3.260 1.00 0.00 C ATOM 193 CG GLU 1 14 2.140 3.666 4.652 1.00 0.00 C ATOM 194 CD GLU 1 14 1.273 2.450 4.912 1.00 0.00 C ATOM 195 OE1 GLU 1 14 1.057 1.662 3.967 1.00 0.00 O ATOM 196 OE2 GLU 1 14 0.810 2.285 6.060 1.00 0.00 O ATOM 0 H GLU 1 14 0.727 7.182 2.486 1.00 0.00 H new ATOM 0 HA GLU 1 14 2.633 6.080 4.093 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 0.939 3.975 2.908 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 2.649 3.784 2.576 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 3.188 3.394 4.778 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 1.918 4.432 5.395 1.00 0.00 H new ATOM 203 N ASP 1 15 2.776 7.445 1.621 1.00 0.00 N ATOM 204 CA ASP 1 15 3.447 7.989 0.456 1.00 0.00 C ATOM 205 C ASP 1 15 4.153 9.293 0.802 1.00 0.00 C ATOM 206 O ASP 1 15 5.350 9.442 0.559 1.00 0.00 O ATOM 207 CB ASP 1 15 2.422 8.223 -0.656 1.00 0.00 C ATOM 208 CG ASP 1 15 2.755 7.459 -1.923 1.00 0.00 C ATOM 209 OD1 ASP 1 15 2.648 6.215 -1.911 1.00 0.00 O ATOM 210 OD2 ASP 1 15 3.124 8.106 -2.926 1.00 0.00 O ATOM 0 H ASP 1 15 2.227 8.128 2.143 1.00 0.00 H new ATOM 0 HA ASP 1 15 4.198 7.277 0.115 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 1.435 7.924 -0.304 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 2.371 9.288 -0.881 1.00 0.00 H new ATOM 215 N CYS 1 16 3.406 10.237 1.369 1.00 0.00 N ATOM 216 CA CYS 1 16 3.975 11.526 1.740 1.00 0.00 C ATOM 217 C CYS 1 16 2.930 12.439 2.377 1.00 0.00 C ATOM 218 O CYS 1 16 1.731 12.263 2.181 1.00 0.00 O ATOM 219 CB CYS 1 16 4.592 12.192 0.507 1.00 0.00 C ATOM 220 SG CYS 1 16 5.097 13.934 0.751 1.00 0.00 S ATOM 0 H CYS 1 16 2.413 10.134 1.580 1.00 0.00 H new ATOM 0 HA CYS 1 16 4.753 11.354 2.484 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 5.464 11.615 0.197 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 3.873 12.148 -0.311 1.00 0.00 H new ATOM 225 N ASP 1 17 3.406 13.413 3.147 1.00 0.00 N ATOM 226 CA ASP 1 17 2.531 14.361 3.826 1.00 0.00 C ATOM 227 C ASP 1 17 1.572 13.631 4.754 1.00 0.00 C ATOM 228 O ASP 1 17 0.448 14.083 4.973 1.00 0.00 O ATOM 229 CB ASP 1 17 1.746 15.186 2.805 1.00 0.00 C ATOM 230 CG ASP 1 17 2.478 16.449 2.396 1.00 0.00 C ATOM 231 OD1 ASP 1 17 3.678 16.357 2.061 1.00 0.00 O ATOM 232 OD2 ASP 1 17 1.851 17.529 2.410 1.00 0.00 O ATOM 0 H ASP 1 17 4.400 13.566 3.316 1.00 0.00 H new ATOM 0 HA ASP 1 17 3.149 15.033 4.421 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 1.555 14.578 1.921 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 0.776 15.452 3.225 1.00 0.00 H new ATOM 237 N CYS 1 18 2.028 12.491 5.285 1.00 0.00 N ATOM 238 CA CYS 1 18 1.222 11.662 6.187 1.00 0.00 C ATOM 239 C CYS 1 18 0.274 12.496 7.033 1.00 0.00 C ATOM 240 O CYS 1 18 -0.863 12.099 7.267 1.00 0.00 O ATOM 241 CB CYS 1 18 2.119 10.817 7.095 1.00 0.00 C ATOM 242 SG CYS 1 18 3.399 9.889 6.192 1.00 0.00 S ATOM 0 H CYS 1 18 2.960 12.119 5.103 1.00 0.00 H new ATOM 0 HA CYS 1 18 0.622 11.003 5.560 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 2.600 11.468 7.825 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 1.499 10.116 7.654 1.00 0.00 H new ATOM 247 N GLY 1 19 0.744 13.652 7.487 1.00 0.00 N ATOM 248 CA GLY 1 19 -0.087 14.512 8.303 1.00 0.00 C ATOM 249 C GLY 1 19 -0.576 13.829 9.551 1.00 0.00 C ATOM 250 O GLY 1 19 -0.196 14.215 10.651 1.00 0.00 O ATOM 0 H GLY 1 19 1.683 14.007 7.305 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 0.478 15.402 8.578 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 -0.943 14.846 7.717 1.00 0.00 H new ATOM 254 N SER 1 20 -1.423 12.813 9.391 1.00 0.00 N ATOM 255 CA SER 1 20 -1.963 12.105 10.533 1.00 0.00 C ATOM 256 C SER 1 20 -0.834 11.700 11.461 1.00 0.00 C ATOM 257 O SER 1 20 -0.084 10.760 11.197 1.00 0.00 O ATOM 258 CB SER 1 20 -2.763 10.889 10.090 1.00 0.00 C ATOM 259 OG SER 1 20 -1.914 9.842 9.655 1.00 0.00 O ATOM 0 H SER 1 20 -1.744 12.469 8.486 1.00 0.00 H new ATOM 0 HA SER 1 20 -2.642 12.768 11.070 1.00 0.00 H new ATOM 0 HB2 SER 1 20 -3.382 10.538 10.916 1.00 0.00 H new ATOM 0 HB3 SER 1 20 -3.439 11.171 9.283 1.00 0.00 H new ATOM 0 HG SER 1 20 -0.979 10.101 9.791 1.00 0.00 H new ATOM 265 N PRO 1 21 -0.692 12.458 12.551 1.00 0.00 N ATOM 266 CA PRO 1 21 0.363 12.251 13.538 1.00 0.00 C ATOM 267 C PRO 1 21 0.441 10.816 14.029 1.00 0.00 C ATOM 268 O PRO 1 21 1.490 10.369 14.491 1.00 0.00 O ATOM 269 CB PRO 1 21 -0.017 13.206 14.670 1.00 0.00 C ATOM 270 CG PRO 1 21 -0.805 14.282 14.001 1.00 0.00 C ATOM 271 CD PRO 1 21 -1.549 13.607 12.882 1.00 0.00 C ATOM 0 HA PRO 1 21 1.352 12.443 13.122 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 -0.606 12.700 15.435 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 0.868 13.610 15.163 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 -1.495 14.754 14.700 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 -0.151 15.066 13.619 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 -2.544 13.290 13.194 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 -1.679 14.271 12.027 1.00 0.00 H new ATOM 279 N ALA 1 22 -0.659 10.082 13.904 1.00 0.00 N ATOM 280 CA ALA 1 22 -0.675 8.685 14.315 1.00 0.00 C ATOM 281 C ALA 1 22 0.486 7.940 13.663 1.00 0.00 C ATOM 282 O ALA 1 22 0.942 6.911 14.162 1.00 0.00 O ATOM 283 CB ALA 1 22 -2.002 8.037 13.948 1.00 0.00 C ATOM 0 H ALA 1 22 -1.541 10.427 13.526 1.00 0.00 H new ATOM 0 HA ALA 1 22 -0.561 8.634 15.398 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 -1.997 6.993 14.262 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 -2.815 8.563 14.449 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 -2.147 8.090 12.869 1.00 0.00 H new ATOM 289 N ASN 1 23 0.959 8.480 12.539 1.00 0.00 N ATOM 290 CA ASN 1 23 2.067 7.890 11.805 1.00 0.00 C ATOM 291 C ASN 1 23 3.293 8.807 11.819 1.00 0.00 C ATOM 292 O ASN 1 23 4.423 8.338 11.689 1.00 0.00 O ATOM 293 CB ASN 1 23 1.648 7.609 10.363 1.00 0.00 C ATOM 294 CG ASN 1 23 0.596 6.521 10.268 1.00 0.00 C ATOM 295 OD1 ASN 1 23 0.143 5.990 11.281 1.00 0.00 O ATOM 296 ND2 ASN 1 23 0.202 6.184 9.045 1.00 0.00 N ATOM 0 H ASN 1 23 0.585 9.331 12.119 1.00 0.00 H new ATOM 0 HA ASN 1 23 2.335 6.954 12.295 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 1.261 8.524 9.915 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 2.524 7.316 9.784 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 -0.503 5.458 8.918 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 0.605 6.651 8.233 1.00 0.00 H new ATOM 303 N CYS 1 24 3.067 10.115 11.973 1.00 0.00 N ATOM 304 CA CYS 1 24 4.165 11.085 11.994 1.00 0.00 C ATOM 305 C CYS 1 24 5.277 10.636 12.934 1.00 0.00 C ATOM 306 O CYS 1 24 5.226 10.879 14.140 1.00 0.00 O ATOM 307 CB CYS 1 24 3.661 12.476 12.403 1.00 0.00 C ATOM 308 SG CYS 1 24 4.787 13.844 11.958 1.00 0.00 S ATOM 0 H CYS 1 24 2.139 10.524 12.084 1.00 0.00 H new ATOM 0 HA CYS 1 24 4.570 11.144 10.984 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 2.693 12.651 11.934 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 3.501 12.489 13.481 1.00 0.00 H new ATOM 313 N GLN 1 25 6.282 9.975 12.367 1.00 0.00 N ATOM 314 CA GLN 1 25 7.415 9.484 13.144 1.00 0.00 C ATOM 315 C GLN 1 25 6.979 8.378 14.102 1.00 0.00 C ATOM 316 O GLN 1 25 7.141 8.493 15.317 1.00 0.00 O ATOM 317 CB GLN 1 25 8.066 10.630 13.924 1.00 0.00 C ATOM 318 CG GLN 1 25 8.186 11.919 13.125 1.00 0.00 C ATOM 319 CD GLN 1 25 9.618 12.403 13.009 1.00 0.00 C ATOM 320 OE1 GLN 1 25 10.310 12.106 12.035 1.00 0.00 O ATOM 321 NE2 GLN 1 25 10.071 13.154 14.006 1.00 0.00 N ATOM 0 H GLN 1 25 6.335 9.767 11.370 1.00 0.00 H new ATOM 0 HA GLN 1 25 8.147 9.070 12.450 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 7.483 10.823 14.824 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 9.059 10.320 14.248 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 7.778 11.762 12.127 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 7.582 12.693 13.599 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 9.463 13.376 14.794 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 11.027 13.509 13.983 1.00 0.00 H new ATOM 330 N ASP 1 26 6.425 7.304 13.545 1.00 0.00 N ATOM 331 CA ASP 1 26 5.966 6.176 14.347 1.00 0.00 C ATOM 332 C ASP 1 26 5.551 5.008 13.456 1.00 0.00 C ATOM 333 O ASP 1 26 6.305 4.050 13.280 1.00 0.00 O ATOM 334 CB ASP 1 26 4.797 6.599 15.239 1.00 0.00 C ATOM 335 CG ASP 1 26 5.246 7.004 16.629 1.00 0.00 C ATOM 336 OD1 ASP 1 26 5.773 6.137 17.359 1.00 0.00 O ATOM 337 OD2 ASP 1 26 5.072 8.187 16.988 1.00 0.00 O ATOM 0 H ASP 1 26 6.284 7.192 12.541 1.00 0.00 H new ATOM 0 HA ASP 1 26 6.792 5.849 14.978 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 4.271 7.432 14.773 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 4.086 5.776 15.315 1.00 0.00 H new ATOM 342 N ARG 1 27 4.348 5.093 12.895 1.00 0.00 N ATOM 343 CA ARG 1 27 3.835 4.044 12.021 1.00 0.00 C ATOM 344 C ARG 1 27 4.720 3.891 10.783 1.00 0.00 C ATOM 345 O ARG 1 27 5.896 4.254 10.807 1.00 0.00 O ATOM 346 CB ARG 1 27 2.393 4.359 11.612 1.00 0.00 C ATOM 347 CG ARG 1 27 1.501 3.130 11.531 1.00 0.00 C ATOM 348 CD ARG 1 27 0.798 2.863 12.851 1.00 0.00 C ATOM 349 NE ARG 1 27 -0.522 2.268 12.658 1.00 0.00 N ATOM 350 CZ ARG 1 27 -1.401 2.077 13.640 1.00 0.00 C ATOM 351 NH1 ARG 1 27 -1.104 2.433 14.883 1.00 0.00 N ATOM 352 NH2 ARG 1 27 -2.579 1.529 13.377 1.00 0.00 N ATOM 0 H ARG 1 27 3.711 5.878 13.030 1.00 0.00 H new ATOM 0 HA ARG 1 27 3.848 3.101 12.567 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 1.966 5.061 12.328 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 2.400 4.857 10.643 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 0.759 3.269 10.744 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 2.100 2.262 11.255 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 1.410 2.197 13.459 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 0.697 3.797 13.403 1.00 0.00 H new ATOM 0 HE ARG 1 27 -0.786 1.982 11.715 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 -0.199 2.855 15.090 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 -1.781 2.285 15.632 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 -2.812 1.254 12.423 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 -3.253 1.382 14.129 1.00 0.00 H new ATOM 366 N CYS 1 28 4.155 3.350 9.705 1.00 0.00 N ATOM 367 CA CYS 1 28 4.906 3.152 8.469 1.00 0.00 C ATOM 368 C CYS 1 28 4.808 4.372 7.551 1.00 0.00 C ATOM 369 O CYS 1 28 5.101 4.282 6.360 1.00 0.00 O ATOM 370 CB CYS 1 28 4.402 1.905 7.739 1.00 0.00 C ATOM 371 SG CYS 1 28 5.498 0.460 7.904 1.00 0.00 S ATOM 0 H CYS 1 28 3.183 3.042 9.663 1.00 0.00 H new ATOM 0 HA CYS 1 28 5.954 3.016 8.735 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 3.415 1.646 8.122 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 4.282 2.139 6.681 1.00 0.00 H new ATOM 376 N CYS 1 29 4.400 5.508 8.111 1.00 0.00 N ATOM 377 CA CYS 1 29 4.271 6.741 7.340 1.00 0.00 C ATOM 378 C CYS 1 29 4.955 7.895 8.062 1.00 0.00 C ATOM 379 O CYS 1 29 4.721 8.124 9.248 1.00 0.00 O ATOM 380 CB CYS 1 29 2.792 7.065 7.105 1.00 0.00 C ATOM 381 SG CYS 1 29 2.480 8.156 5.681 1.00 0.00 S ATOM 0 H CYS 1 29 4.153 5.600 9.096 1.00 0.00 H new ATOM 0 HA CYS 1 29 4.758 6.600 6.375 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 2.247 6.132 6.959 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 2.388 7.534 8.002 1.00 0.00 H new ATOM 386 N ASN 1 30 5.808 8.616 7.341 1.00 0.00 N ATOM 387 CA ASN 1 30 6.530 9.737 7.917 1.00 0.00 C ATOM 388 C ASN 1 30 5.931 11.067 7.509 1.00 0.00 C ATOM 389 O ASN 1 30 6.197 11.579 6.421 1.00 0.00 O ATOM 390 CB ASN 1 30 7.990 9.698 7.500 1.00 0.00 C ATOM 391 CG ASN 1 30 8.910 10.076 8.635 1.00 0.00 C ATOM 392 OD1 ASN 1 30 9.547 11.129 8.622 1.00 0.00 O ATOM 393 ND2 ASN 1 30 8.972 9.210 9.627 1.00 0.00 N ATOM 0 H ASN 1 30 6.014 8.441 6.357 1.00 0.00 H new ATOM 0 HA ASN 1 30 6.451 9.644 9.000 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 8.240 8.697 7.148 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 8.147 10.379 6.663 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 9.569 9.399 10.432 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 8.423 8.351 9.589 1.00 0.00 H new ATOM 400 N ALA 1 31 5.150 11.635 8.409 1.00 0.00 N ATOM 401 CA ALA 1 31 4.538 12.928 8.174 1.00 0.00 C ATOM 402 C ALA 1 31 5.603 14.020 8.229 1.00 0.00 C ATOM 403 O ALA 1 31 5.333 15.183 7.926 1.00 0.00 O ATOM 404 CB ALA 1 31 3.448 13.186 9.205 1.00 0.00 C ATOM 0 H ALA 1 31 4.924 11.219 9.312 1.00 0.00 H new ATOM 0 HA ALA 1 31 4.081 12.936 7.184 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 2.995 14.160 9.019 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 2.685 12.411 9.130 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 3.882 13.172 10.205 1.00 0.00 H new ATOM 410 N ALA 1 32 6.818 13.634 8.628 1.00 0.00 N ATOM 411 CA ALA 1 32 7.923 14.575 8.733 1.00 0.00 C ATOM 412 C ALA 1 32 8.888 14.456 7.551 1.00 0.00 C ATOM 413 O ALA 1 32 9.367 15.468 7.038 1.00 0.00 O ATOM 414 CB ALA 1 32 8.651 14.375 10.050 1.00 0.00 C ATOM 0 H ALA 1 32 7.056 12.675 8.882 1.00 0.00 H new ATOM 0 HA ALA 1 32 7.510 15.583 8.706 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 9.477 15.083 10.121 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 7.960 14.540 10.877 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 9.040 13.358 10.100 1.00 0.00 H new ATOM 420 N THR 1 33 9.165 13.228 7.102 1.00 0.00 N ATOM 421 CA THR 1 33 10.065 13.035 5.961 1.00 0.00 C ATOM 422 C THR 1 33 9.279 12.993 4.659 1.00 0.00 C ATOM 423 O THR 1 33 9.853 12.868 3.577 1.00 0.00 O ATOM 424 CB THR 1 33 10.890 11.755 6.096 1.00 0.00 C ATOM 425 OG1 THR 1 33 10.064 10.630 6.290 1.00 0.00 O ATOM 426 CG2 THR 1 33 11.891 11.797 7.229 1.00 0.00 C ATOM 0 H THR 1 33 8.788 12.369 7.501 1.00 0.00 H new ATOM 0 HA THR 1 33 10.749 13.884 5.948 1.00 0.00 H new ATOM 0 HB THR 1 33 11.436 11.677 5.156 1.00 0.00 H new ATOM 0 HG1 THR 1 33 10.619 9.827 6.372 1.00 0.00 H new ATOM 0 HG21 THR 1 33 12.440 10.856 7.265 1.00 0.00 H new ATOM 0 HG22 THR 1 33 12.589 12.618 7.068 1.00 0.00 H new ATOM 0 HG23 THR 1 33 11.366 11.947 8.173 1.00 0.00 H new ATOM 434 N CYS 1 34 7.962 13.108 4.774 1.00 0.00 N ATOM 435 CA CYS 1 34 7.082 13.098 3.620 1.00 0.00 C ATOM 436 C CYS 1 34 7.023 11.719 2.960 1.00 0.00 C ATOM 437 O CYS 1 34 6.751 11.614 1.773 1.00 0.00 O ATOM 438 CB CYS 1 34 7.501 14.198 2.618 1.00 0.00 C ATOM 439 SG CYS 1 34 7.126 13.876 0.854 1.00 0.00 S ATOM 0 H CYS 1 34 7.479 13.210 5.667 1.00 0.00 H new ATOM 0 HA CYS 1 34 6.071 13.318 3.963 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 7.012 15.128 2.907 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 8.575 14.358 2.716 1.00 0.00 H new ATOM 444 N LYS 1 35 7.240 10.641 3.711 1.00 0.00 N ATOM 445 CA LYS 1 35 7.137 9.325 3.087 1.00 0.00 C ATOM 446 C LYS 1 35 7.295 8.183 4.071 1.00 0.00 C ATOM 447 O LYS 1 35 7.816 8.348 5.170 1.00 0.00 O ATOM 448 CB LYS 1 35 8.125 9.190 1.921 1.00 0.00 C ATOM 449 CG LYS 1 35 9.259 8.200 2.149 1.00 0.00 C ATOM 450 CD LYS 1 35 10.056 7.974 0.875 1.00 0.00 C ATOM 451 CE LYS 1 35 11.190 6.986 1.094 1.00 0.00 C ATOM 452 NZ LYS 1 35 12.400 7.344 0.304 1.00 0.00 N ATOM 0 H LYS 1 35 7.477 10.647 4.703 1.00 0.00 H new ATOM 0 HA LYS 1 35 6.123 9.251 2.695 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 7.574 8.889 1.030 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 8.555 10.170 1.713 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 9.919 8.573 2.932 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 8.852 7.251 2.500 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 9.395 7.602 0.092 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 10.462 8.923 0.525 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 11.445 6.955 2.153 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 10.858 5.986 0.816 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 13.150 6.645 0.482 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 12.164 7.349 -0.709 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 12.732 8.288 0.587 1.00 0.00 H new ATOM 466 N LEU 1 36 6.827 7.019 3.639 1.00 0.00 N ATOM 467 CA LEU 1 36 6.887 5.800 4.442 1.00 0.00 C ATOM 468 C LEU 1 36 8.215 5.683 5.184 1.00 0.00 C ATOM 469 O LEU 1 36 9.204 6.316 4.814 1.00 0.00 O ATOM 470 CB LEU 1 36 6.687 4.575 3.548 1.00 0.00 C ATOM 471 CG LEU 1 36 7.739 4.401 2.452 1.00 0.00 C ATOM 472 CD1 LEU 1 36 7.932 2.929 2.125 1.00 0.00 C ATOM 473 CD2 LEU 1 36 7.344 5.178 1.205 1.00 0.00 C ATOM 0 H LEU 1 36 6.395 6.891 2.724 1.00 0.00 H new ATOM 0 HA LEU 1 36 6.089 5.849 5.182 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 6.684 3.683 4.174 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 5.704 4.640 3.081 1.00 0.00 H new ATOM 0 HG LEU 1 36 8.686 4.798 2.819 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 8.684 2.826 1.343 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 8.262 2.398 3.018 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 6.989 2.506 1.779 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 8.104 5.042 0.436 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 6.386 4.812 0.837 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 7.259 6.237 1.448 1.00 0.00 H new ATOM 485 N THR 1 37 8.226 4.874 6.238 1.00 0.00 N ATOM 486 CA THR 1 37 9.429 4.680 7.039 1.00 0.00 C ATOM 487 C THR 1 37 10.141 3.385 6.666 1.00 0.00 C ATOM 488 O THR 1 37 9.547 2.486 6.071 1.00 0.00 O ATOM 489 CB THR 1 37 9.075 4.663 8.524 1.00 0.00 C ATOM 490 OG1 THR 1 37 7.962 3.821 8.765 1.00 0.00 O ATOM 491 CG2 THR 1 37 8.743 6.030 9.073 1.00 0.00 C ATOM 0 H THR 1 37 7.416 4.342 6.557 1.00 0.00 H new ATOM 0 HA THR 1 37 10.103 5.512 6.835 1.00 0.00 H new ATOM 0 HB THR 1 37 9.967 4.292 9.030 1.00 0.00 H new ATOM 0 HG1 THR 1 37 7.393 4.221 9.456 1.00 0.00 H new ATOM 0 HG21 THR 1 37 8.501 5.948 10.133 1.00 0.00 H new ATOM 0 HG22 THR 1 37 9.601 6.691 8.947 1.00 0.00 H new ATOM 0 HG23 THR 1 37 7.888 6.440 8.536 1.00 0.00 H new ATOM 499 N PRO 1 38 11.433 3.273 7.021 1.00 0.00 N ATOM 500 CA PRO 1 38 12.237 2.083 6.734 1.00 0.00 C ATOM 501 C PRO 1 38 11.482 0.786 7.008 1.00 0.00 C ATOM 502 O PRO 1 38 10.905 0.606 8.080 1.00 0.00 O ATOM 503 CB PRO 1 38 13.411 2.234 7.698 1.00 0.00 C ATOM 504 CG PRO 1 38 13.595 3.706 7.822 1.00 0.00 C ATOM 505 CD PRO 1 38 12.215 4.303 7.739 1.00 0.00 C ATOM 0 HA PRO 1 38 12.523 2.019 5.684 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 13.195 1.777 8.664 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 14.309 1.752 7.311 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 14.075 3.961 8.767 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 14.234 4.088 7.026 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 11.804 4.501 8.729 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 12.220 5.251 7.200 1.00 0.00 H new ATOM 513 N GLY 1 39 11.487 -0.114 6.030 1.00 0.00 N ATOM 514 CA GLY 1 39 10.798 -1.381 6.184 1.00 0.00 C ATOM 515 C GLY 1 39 9.582 -1.489 5.285 1.00 0.00 C ATOM 516 O GLY 1 39 9.339 -2.533 4.680 1.00 0.00 O ATOM 0 H GLY 1 39 11.956 0.012 5.133 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 11.486 -2.196 5.959 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 10.491 -1.501 7.223 1.00 0.00 H new ATOM 520 N SER 1 40 8.818 -0.405 5.196 1.00 0.00 N ATOM 521 CA SER 1 40 7.622 -0.379 4.363 1.00 0.00 C ATOM 522 C SER 1 40 7.976 -0.637 2.901 1.00 0.00 C ATOM 523 O SER 1 40 8.484 0.245 2.209 1.00 0.00 O ATOM 524 CB SER 1 40 6.909 0.969 4.502 1.00 0.00 C ATOM 525 OG SER 1 40 5.829 1.072 3.590 1.00 0.00 O ATOM 0 H SER 1 40 9.006 0.467 5.691 1.00 0.00 H new ATOM 0 HA SER 1 40 6.952 -1.170 4.700 1.00 0.00 H new ATOM 0 HB2 SER 1 40 6.541 1.086 5.521 1.00 0.00 H new ATOM 0 HB3 SER 1 40 7.617 1.778 4.325 1.00 0.00 H new ATOM 0 HG SER 1 40 5.390 1.941 3.700 1.00 0.00 H new ATOM 531 N GLN 1 41 7.710 -1.856 2.439 1.00 0.00 N ATOM 532 CA GLN 1 41 8.007 -2.236 1.062 1.00 0.00 C ATOM 533 C GLN 1 41 7.033 -1.584 0.085 1.00 0.00 C ATOM 534 O GLN 1 41 7.370 -1.346 -1.075 1.00 0.00 O ATOM 535 CB GLN 1 41 7.950 -3.759 0.909 1.00 0.00 C ATOM 536 CG GLN 1 41 9.315 -4.402 0.726 1.00 0.00 C ATOM 537 CD GLN 1 41 9.254 -5.675 -0.095 1.00 0.00 C ATOM 538 OE1 GLN 1 41 8.704 -5.577 -1.299 1.00 0.00 O flip ATOM 539 NE2 GLN 1 41 9.697 -6.735 0.348 1.00 0.00 N flip ATOM 0 H GLN 1 41 7.289 -2.597 2.999 1.00 0.00 H new ATOM 0 HA GLN 1 41 9.012 -1.885 0.829 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 7.471 -4.187 1.790 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 7.323 -4.007 0.053 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 9.985 -3.692 0.240 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 9.742 -4.625 1.704 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 10.112 -6.765 1.279 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 9.649 -7.583 -0.216 1.00 0.00 H new ATOM 548 N CYS 1 42 5.822 -1.308 0.555 1.00 0.00 N ATOM 549 CA CYS 1 42 4.801 -0.697 -0.287 1.00 0.00 C ATOM 550 C CYS 1 42 4.602 0.775 0.054 1.00 0.00 C ATOM 551 O CYS 1 42 4.693 1.176 1.214 1.00 0.00 O ATOM 552 CB CYS 1 42 3.477 -1.446 -0.133 1.00 0.00 C ATOM 553 SG CYS 1 42 2.756 -1.342 1.538 1.00 0.00 S ATOM 0 H CYS 1 42 5.524 -1.497 1.512 1.00 0.00 H new ATOM 0 HA CYS 1 42 5.140 -0.762 -1.321 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 2.761 -1.048 -0.852 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 3.633 -2.495 -0.385 1.00 0.00 H new ATOM 558 N ASN 1 43 4.312 1.571 -0.970 1.00 0.00 N ATOM 559 CA ASN 1 43 4.076 2.998 -0.795 1.00 0.00 C ATOM 560 C ASN 1 43 2.586 3.288 -0.908 1.00 0.00 C ATOM 561 O ASN 1 43 2.033 4.094 -0.159 1.00 0.00 O ATOM 562 CB ASN 1 43 4.842 3.800 -1.851 1.00 0.00 C ATOM 563 CG ASN 1 43 6.275 4.079 -1.445 1.00 0.00 C ATOM 564 OD1 ASN 1 43 6.726 5.224 -1.468 1.00 0.00 O ATOM 565 ND2 ASN 1 43 7.001 3.031 -1.074 1.00 0.00 N ATOM 0 H ASN 1 43 4.235 1.249 -1.935 1.00 0.00 H new ATOM 0 HA ASN 1 43 4.430 3.294 0.192 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 4.835 3.252 -2.793 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 4.328 4.745 -2.028 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 7.973 3.158 -0.793 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 6.586 2.099 -1.070 1.00 0.00 H new ATOM 572 N TYR 1 44 1.946 2.608 -1.852 1.00 0.00 N ATOM 573 CA TYR 1 44 0.536 2.747 -2.092 1.00 0.00 C ATOM 574 C TYR 1 44 0.106 1.870 -3.259 1.00 0.00 C ATOM 575 O TYR 1 44 0.413 2.161 -4.415 1.00 0.00 O ATOM 576 CB TYR 1 44 0.171 4.195 -2.375 1.00 0.00 C ATOM 577 CG TYR 1 44 -1.209 4.509 -1.892 1.00 0.00 C ATOM 578 CD1 TYR 1 44 -2.209 3.559 -1.997 1.00 0.00 C ATOM 579 CD2 TYR 1 44 -1.509 5.726 -1.312 1.00 0.00 C ATOM 580 CE1 TYR 1 44 -3.471 3.809 -1.544 1.00 0.00 C ATOM 581 CE2 TYR 1 44 -2.778 5.989 -0.847 1.00 0.00 C ATOM 582 CZ TYR 1 44 -3.762 5.027 -0.964 1.00 0.00 C ATOM 583 OH TYR 1 44 -5.033 5.283 -0.503 1.00 0.00 O ATOM 0 H TYR 1 44 2.406 1.941 -2.472 1.00 0.00 H new ATOM 0 HA TYR 1 44 0.011 2.427 -1.192 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 0.889 4.855 -1.888 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 0.237 4.387 -3.446 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 -1.986 2.602 -2.446 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 -0.740 6.479 -1.222 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 -4.240 3.056 -1.639 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 -3.003 6.943 -0.393 1.00 0.00 H new ATOM 0 HH TYR 1 44 -5.067 6.186 -0.123 1.00 0.00 H new ATOM 593 N GLY 1 45 -0.608 0.796 -2.948 1.00 0.00 N ATOM 594 CA GLY 1 45 -1.070 -0.104 -3.983 1.00 0.00 C ATOM 595 C GLY 1 45 -1.803 -1.306 -3.429 1.00 0.00 C ATOM 596 O GLY 1 45 -1.656 -1.652 -2.256 1.00 0.00 O ATOM 0 H GLY 1 45 -0.874 0.534 -1.999 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -1.729 0.437 -4.661 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -0.217 -0.443 -4.571 1.00 0.00 H new ATOM 600 N GLU 1 46 -2.595 -1.941 -4.282 1.00 0.00 N ATOM 601 CA GLU 1 46 -3.372 -3.118 -3.902 1.00 0.00 C ATOM 602 C GLU 1 46 -2.539 -4.106 -3.089 1.00 0.00 C ATOM 603 O GLU 1 46 -2.992 -4.625 -2.069 1.00 0.00 O ATOM 604 CB GLU 1 46 -3.893 -3.816 -5.157 1.00 0.00 C ATOM 605 CG GLU 1 46 -5.208 -3.253 -5.670 1.00 0.00 C ATOM 606 CD GLU 1 46 -5.157 -1.752 -5.883 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -4.664 -1.321 -6.947 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -5.609 -1.009 -4.987 1.00 0.00 O ATOM 0 H GLU 1 46 -2.718 -1.658 -5.254 1.00 0.00 H new ATOM 0 HA GLU 1 46 -4.203 -2.781 -3.282 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -3.143 -3.737 -5.944 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -4.021 -4.877 -4.945 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -5.466 -3.741 -6.610 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -6.001 -3.489 -4.961 1.00 0.00 H new ATOM 615 N CYS 1 47 -1.326 -4.369 -3.559 1.00 0.00 N ATOM 616 CA CYS 1 47 -0.430 -5.306 -2.891 1.00 0.00 C ATOM 617 C CYS 1 47 0.042 -4.771 -1.542 1.00 0.00 C ATOM 618 O CYS 1 47 0.473 -5.537 -0.682 1.00 0.00 O ATOM 619 CB CYS 1 47 0.774 -5.599 -3.783 1.00 0.00 C ATOM 620 SG CYS 1 47 0.463 -6.866 -5.051 1.00 0.00 S ATOM 0 H CYS 1 47 -0.939 -3.946 -4.402 1.00 0.00 H new ATOM 0 HA CYS 1 47 -0.985 -6.226 -2.709 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 1.083 -4.676 -4.274 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 1.607 -5.922 -3.158 1.00 0.00 H new ATOM 625 N CYS 1 48 -0.035 -3.459 -1.360 1.00 0.00 N ATOM 626 CA CYS 1 48 0.396 -2.844 -0.112 1.00 0.00 C ATOM 627 C CYS 1 48 -0.415 -3.371 1.066 1.00 0.00 C ATOM 628 O CYS 1 48 -1.619 -3.134 1.162 1.00 0.00 O ATOM 629 CB CYS 1 48 0.267 -1.322 -0.196 1.00 0.00 C ATOM 630 SG CYS 1 48 0.965 -0.437 1.236 1.00 0.00 S ATOM 0 H CYS 1 48 -0.390 -2.804 -2.056 1.00 0.00 H new ATOM 0 HA CYS 1 48 1.442 -3.104 0.047 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 0.764 -0.975 -1.102 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 -0.787 -1.062 -0.292 1.00 0.00 H new ATOM 635 N ASP 1 49 0.257 -4.089 1.960 1.00 0.00 N ATOM 636 CA ASP 1 49 -0.395 -4.654 3.135 1.00 0.00 C ATOM 637 C ASP 1 49 0.385 -4.322 4.402 1.00 0.00 C ATOM 638 O ASP 1 49 1.431 -4.912 4.673 1.00 0.00 O ATOM 639 CB ASP 1 49 -0.532 -6.171 2.987 1.00 0.00 C ATOM 640 CG ASP 1 49 -1.908 -6.668 3.384 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -2.882 -5.900 3.240 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -2.012 -7.827 3.840 1.00 0.00 O ATOM 0 H ASP 1 49 1.254 -4.293 1.893 1.00 0.00 H new ATOM 0 HA ASP 1 49 -1.388 -4.213 3.217 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -0.331 -6.452 1.953 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 0.221 -6.663 3.603 1.00 0.00 H new ATOM 647 N GLN 1 50 -0.132 -3.373 5.176 1.00 0.00 N ATOM 648 CA GLN 1 50 0.511 -2.958 6.418 1.00 0.00 C ATOM 649 C GLN 1 50 1.859 -2.296 6.144 1.00 0.00 C ATOM 650 O GLN 1 50 1.971 -1.070 6.153 1.00 0.00 O ATOM 651 CB GLN 1 50 0.693 -4.157 7.353 1.00 0.00 C ATOM 652 CG GLN 1 50 -0.380 -4.261 8.425 1.00 0.00 C ATOM 653 CD GLN 1 50 -1.458 -5.268 8.075 1.00 0.00 C ATOM 654 OE1 GLN 1 50 -1.390 -6.431 8.474 1.00 0.00 O ATOM 655 NE2 GLN 1 50 -2.461 -4.825 7.326 1.00 0.00 N ATOM 0 H GLN 1 50 -0.997 -2.876 4.964 1.00 0.00 H new ATOM 0 HA GLN 1 50 -0.136 -2.227 6.903 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 0.693 -5.072 6.761 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 1.669 -4.088 7.833 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 0.083 -4.543 9.371 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 -0.836 -3.282 8.573 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 -2.477 -3.853 7.018 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 -3.216 -5.457 7.059 1.00 0.00 H new ATOM 664 N CYS 1 51 2.882 -3.112 5.904 1.00 0.00 N ATOM 665 CA CYS 1 51 4.220 -2.598 5.633 1.00 0.00 C ATOM 666 C CYS 1 51 5.011 -3.554 4.744 1.00 0.00 C ATOM 667 O CYS 1 51 6.241 -3.579 4.786 1.00 0.00 O ATOM 668 CB CYS 1 51 4.972 -2.367 6.944 1.00 0.00 C ATOM 669 SG CYS 1 51 4.217 -1.109 8.023 1.00 0.00 S ATOM 0 H CYS 1 51 2.810 -4.129 5.892 1.00 0.00 H new ATOM 0 HA CYS 1 51 4.114 -1.650 5.105 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 5.030 -3.310 7.488 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 5.995 -2.068 6.716 1.00 0.00 H new ATOM 674 N ARG 1 52 4.301 -4.339 3.940 1.00 0.00 N ATOM 675 CA ARG 1 52 4.944 -5.293 3.044 1.00 0.00 C ATOM 676 C ARG 1 52 3.998 -5.708 1.924 1.00 0.00 C ATOM 677 O ARG 1 52 2.786 -5.791 2.122 1.00 0.00 O ATOM 678 CB ARG 1 52 5.404 -6.526 3.823 1.00 0.00 C ATOM 679 CG ARG 1 52 6.713 -7.112 3.317 1.00 0.00 C ATOM 680 CD ARG 1 52 7.707 -7.322 4.448 1.00 0.00 C ATOM 681 NE ARG 1 52 8.699 -6.250 4.511 1.00 0.00 N ATOM 682 CZ ARG 1 52 9.861 -6.352 5.152 1.00 0.00 C ATOM 683 NH1 ARG 1 52 10.181 -7.474 5.786 1.00 0.00 N ATOM 684 NH2 ARG 1 52 10.705 -5.330 5.160 1.00 0.00 N ATOM 0 H ARG 1 52 3.282 -4.333 3.891 1.00 0.00 H new ATOM 0 HA ARG 1 52 5.813 -4.808 2.600 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 5.517 -6.260 4.874 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 4.628 -7.290 3.769 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 6.519 -8.063 2.821 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 7.146 -6.446 2.571 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 7.172 -7.377 5.396 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 8.214 -8.277 4.313 1.00 0.00 H new ATOM 0 HE ARG 1 52 8.488 -5.372 4.036 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 9.535 -8.263 5.783 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 11.073 -7.547 6.276 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 10.464 -4.466 4.675 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 11.596 -5.408 5.651 1.00 0.00 H new ATOM 698 N PHE 1 53 4.558 -5.967 0.746 1.00 0.00 N ATOM 699 CA PHE 1 53 3.757 -6.373 -0.403 1.00 0.00 C ATOM 700 C PHE 1 53 3.006 -7.663 -0.111 1.00 0.00 C ATOM 701 O PHE 1 53 3.545 -8.582 0.507 1.00 0.00 O ATOM 702 CB PHE 1 53 4.640 -6.558 -1.640 1.00 0.00 C ATOM 703 CG PHE 1 53 5.028 -5.269 -2.309 1.00 0.00 C ATOM 704 CD1 PHE 1 53 4.143 -4.203 -2.363 1.00 0.00 C ATOM 705 CD2 PHE 1 53 6.280 -5.124 -2.884 1.00 0.00 C ATOM 706 CE1 PHE 1 53 4.499 -3.019 -2.976 1.00 0.00 C ATOM 707 CE2 PHE 1 53 6.642 -3.941 -3.500 1.00 0.00 C ATOM 708 CZ PHE 1 53 5.750 -2.887 -3.546 1.00 0.00 C ATOM 0 H PHE 1 53 5.559 -5.903 0.563 1.00 0.00 H new ATOM 0 HA PHE 1 53 3.033 -5.582 -0.600 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 5.545 -7.093 -1.352 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 4.114 -7.185 -2.359 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 3.163 -4.300 -1.920 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 6.981 -5.945 -2.851 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 3.800 -2.196 -3.010 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 7.621 -3.841 -3.945 1.00 0.00 H new ATOM 0 HZ PHE 1 53 6.030 -1.962 -4.027 1.00 0.00 H new ATOM 718 N LYS 1 54 1.760 -7.727 -0.563 1.00 0.00 N ATOM 719 CA LYS 1 54 0.936 -8.910 -0.353 1.00 0.00 C ATOM 720 C LYS 1 54 1.607 -10.141 -0.956 1.00 0.00 C ATOM 721 O LYS 1 54 1.493 -10.393 -2.153 1.00 0.00 O ATOM 722 CB LYS 1 54 -0.450 -8.707 -0.970 1.00 0.00 C ATOM 723 CG LYS 1 54 -1.537 -8.430 0.056 1.00 0.00 C ATOM 724 CD LYS 1 54 -2.614 -7.517 -0.507 1.00 0.00 C ATOM 725 CE LYS 1 54 -3.102 -6.524 0.535 1.00 0.00 C ATOM 726 NZ LYS 1 54 -4.204 -5.669 0.015 1.00 0.00 N ATOM 0 H LYS 1 54 1.299 -6.976 -1.076 1.00 0.00 H new ATOM 0 HA LYS 1 54 0.822 -9.067 0.720 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -0.407 -7.877 -1.675 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -0.718 -9.596 -1.541 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -1.986 -9.371 0.375 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -1.095 -7.971 0.941 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -2.221 -6.978 -1.369 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -3.453 -8.117 -0.861 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -3.447 -7.064 1.417 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -2.272 -5.893 0.852 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -4.520 -5.017 0.762 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -3.863 -5.122 -0.801 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -5.000 -6.270 -0.279 1.00 0.00 H new ATOM 740 N LYS 1 55 2.313 -10.897 -0.115 1.00 0.00 N ATOM 741 CA LYS 1 55 3.025 -12.105 -0.544 1.00 0.00 C ATOM 742 C LYS 1 55 2.399 -12.728 -1.791 1.00 0.00 C ATOM 743 O LYS 1 55 1.184 -12.933 -1.855 1.00 0.00 O ATOM 744 CB LYS 1 55 3.048 -13.132 0.589 1.00 0.00 C ATOM 745 CG LYS 1 55 3.840 -14.386 0.258 1.00 0.00 C ATOM 746 CD LYS 1 55 5.261 -14.304 0.791 1.00 0.00 C ATOM 747 CE LYS 1 55 6.090 -15.502 0.355 1.00 0.00 C ATOM 748 NZ LYS 1 55 7.079 -15.900 1.395 1.00 0.00 N ATOM 0 H LYS 1 55 2.408 -10.692 0.880 1.00 0.00 H new ATOM 0 HA LYS 1 55 4.044 -11.809 -0.796 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 3.473 -12.669 1.479 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 2.024 -13.413 0.834 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 3.340 -15.256 0.684 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 3.863 -14.528 -0.822 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 5.731 -13.387 0.437 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 5.240 -14.252 1.880 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 5.429 -16.342 0.141 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 6.613 -15.264 -0.571 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 7.624 -16.720 1.060 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 7.725 -15.107 1.581 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 6.579 -16.152 2.271 1.00 0.00 H new ATOM 762 N ALA 1 56 3.240 -13.021 -2.783 1.00 0.00 N ATOM 763 CA ALA 1 56 2.775 -13.617 -4.030 1.00 0.00 C ATOM 764 C ALA 1 56 1.756 -14.710 -3.761 1.00 0.00 C ATOM 765 O ALA 1 56 1.985 -15.602 -2.943 1.00 0.00 O ATOM 766 CB ALA 1 56 3.937 -14.176 -4.829 1.00 0.00 C ATOM 0 H ALA 1 56 4.246 -12.854 -2.745 1.00 0.00 H new ATOM 0 HA ALA 1 56 2.297 -12.831 -4.615 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 3.564 -14.615 -5.754 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 4.636 -13.374 -5.064 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 4.446 -14.942 -4.244 1.00 0.00 H new ATOM 772 N GLY 1 57 0.625 -14.623 -4.436 1.00 0.00 N ATOM 773 CA GLY 1 57 -0.424 -15.601 -4.237 1.00 0.00 C ATOM 774 C GLY 1 57 -1.647 -14.985 -3.592 1.00 0.00 C ATOM 775 O GLY 1 57 -2.694 -15.624 -3.491 1.00 0.00 O ATOM 0 H GLY 1 57 0.412 -13.895 -5.118 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -0.700 -16.039 -5.196 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -0.052 -16.412 -3.611 1.00 0.00 H new ATOM 779 N THR 1 58 -1.515 -13.731 -3.166 1.00 0.00 N ATOM 780 CA THR 1 58 -2.617 -13.013 -2.546 1.00 0.00 C ATOM 781 C THR 1 58 -3.543 -12.441 -3.614 1.00 0.00 C ATOM 782 O THR 1 58 -3.204 -11.460 -4.276 1.00 0.00 O ATOM 783 CB THR 1 58 -2.083 -11.880 -1.673 1.00 0.00 C ATOM 784 OG1 THR 1 58 -1.219 -12.382 -0.668 1.00 0.00 O ATOM 785 CG2 THR 1 58 -3.179 -11.095 -0.989 1.00 0.00 C ATOM 0 H THR 1 58 -0.652 -13.193 -3.241 1.00 0.00 H new ATOM 0 HA THR 1 58 -3.177 -13.711 -1.924 1.00 0.00 H new ATOM 0 HB THR 1 58 -1.548 -11.216 -2.352 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -0.346 -12.592 -1.062 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -2.736 -10.304 -0.383 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -3.834 -10.653 -1.740 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -3.758 -11.761 -0.349 1.00 0.00 H new ATOM 793 N VAL 1 59 -4.710 -13.054 -3.785 1.00 0.00 N ATOM 794 CA VAL 1 59 -5.662 -12.585 -4.782 1.00 0.00 C ATOM 795 C VAL 1 59 -6.177 -11.194 -4.433 1.00 0.00 C ATOM 796 O VAL 1 59 -6.802 -10.997 -3.391 1.00 0.00 O ATOM 797 CB VAL 1 59 -6.867 -13.540 -4.929 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -7.628 -13.651 -3.616 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -7.788 -13.075 -6.051 1.00 0.00 C ATOM 0 H VAL 1 59 -5.016 -13.868 -3.252 1.00 0.00 H new ATOM 0 HA VAL 1 59 -5.124 -12.553 -5.730 1.00 0.00 H new ATOM 0 HB VAL 1 59 -6.490 -14.530 -5.187 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -8.473 -14.328 -3.741 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -6.964 -14.038 -2.842 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -7.993 -12.667 -3.322 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -8.630 -13.761 -6.138 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -8.157 -12.074 -5.828 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -7.236 -13.057 -6.991 1.00 0.00 H new ATOM 809 N CYS 1 60 -5.916 -10.233 -5.311 1.00 0.00 N ATOM 810 CA CYS 1 60 -6.365 -8.861 -5.087 1.00 0.00 C ATOM 811 C CYS 1 60 -7.480 -8.484 -6.060 1.00 0.00 C ATOM 812 O CYS 1 60 -8.230 -7.538 -5.821 1.00 0.00 O ATOM 813 CB CYS 1 60 -5.206 -7.867 -5.230 1.00 0.00 C ATOM 814 SG CYS 1 60 -3.554 -8.574 -4.942 1.00 0.00 S ATOM 0 H CYS 1 60 -5.400 -10.375 -6.179 1.00 0.00 H new ATOM 0 HA CYS 1 60 -6.749 -8.810 -4.068 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -5.233 -7.440 -6.233 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -5.362 -7.046 -4.530 1.00 0.00 H new ATOM 819 N ARG 1 61 -7.578 -9.223 -7.163 1.00 0.00 N ATOM 820 CA ARG 1 61 -8.595 -8.954 -8.174 1.00 0.00 C ATOM 821 C ARG 1 61 -8.963 -10.222 -8.937 1.00 0.00 C ATOM 822 O ARG 1 61 -8.456 -11.307 -8.652 1.00 0.00 O ATOM 823 CB ARG 1 61 -8.105 -7.885 -9.156 1.00 0.00 C ATOM 824 CG ARG 1 61 -7.317 -6.765 -8.496 1.00 0.00 C ATOM 825 CD ARG 1 61 -6.981 -5.656 -9.482 1.00 0.00 C ATOM 826 NE ARG 1 61 -6.126 -6.125 -10.571 1.00 0.00 N ATOM 827 CZ ARG 1 61 -5.335 -5.330 -11.290 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -5.282 -4.028 -11.037 1.00 0.00 N ATOM 829 NH2 ARG 1 61 -4.598 -5.839 -12.268 1.00 0.00 N ATOM 0 H ARG 1 61 -6.967 -10.011 -7.378 1.00 0.00 H new ATOM 0 HA ARG 1 61 -9.484 -8.589 -7.660 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -7.481 -8.359 -9.914 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -8.964 -7.457 -9.673 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -7.894 -6.353 -7.668 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -6.396 -7.168 -8.074 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -7.903 -5.249 -9.896 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -6.482 -4.843 -8.955 1.00 0.00 H new ATOM 0 HE ARG 1 61 -6.136 -7.120 -10.794 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -5.849 -3.630 -10.288 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 -4.674 -3.425 -11.591 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 -4.637 -6.838 -12.469 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 -3.992 -5.231 -12.819 1.00 0.00 H new ATOM 843 N ILE 1 62 -9.847 -10.068 -9.913 1.00 0.00 N ATOM 844 CA ILE 1 62 -10.292 -11.182 -10.737 1.00 0.00 C ATOM 845 C ILE 1 62 -11.273 -10.693 -11.791 1.00 0.00 C ATOM 846 O ILE 1 62 -12.176 -9.908 -11.500 1.00 0.00 O ATOM 847 CB ILE 1 62 -10.952 -12.295 -9.897 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -11.566 -13.372 -10.798 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -12.012 -11.705 -8.985 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -10.567 -14.045 -11.715 1.00 0.00 C ATOM 0 H ILE 1 62 -10.273 -9.173 -10.155 1.00 0.00 H new ATOM 0 HA ILE 1 62 -9.409 -11.603 -11.218 1.00 0.00 H new ATOM 0 HB ILE 1 62 -10.180 -12.763 -9.286 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -12.038 -14.129 -10.173 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -12.353 -12.921 -11.402 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -12.470 -12.501 -8.398 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -11.552 -10.978 -8.315 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -12.776 -11.212 -9.586 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -11.077 -14.794 -12.321 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -10.112 -13.299 -12.367 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -9.792 -14.526 -11.118 1.00 0.00 H new ATOM 862 N ALA 1 63 -11.084 -11.154 -13.016 1.00 0.00 N ATOM 863 CA ALA 1 63 -11.947 -10.756 -14.118 1.00 0.00 C ATOM 864 C ALA 1 63 -13.420 -11.033 -13.796 1.00 0.00 C ATOM 865 O ALA 1 63 -14.065 -10.230 -13.122 1.00 0.00 O ATOM 866 CB ALA 1 63 -11.506 -11.435 -15.409 1.00 0.00 C ATOM 0 H ALA 1 63 -10.341 -11.804 -13.274 1.00 0.00 H new ATOM 0 HA ALA 1 63 -11.853 -9.680 -14.262 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -12.161 -11.127 -16.224 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -10.480 -11.147 -15.640 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -11.561 -12.517 -15.288 1.00 0.00 H new ATOM 872 N ARG 1 64 -13.954 -12.162 -14.261 1.00 0.00 N ATOM 873 CA ARG 1 64 -15.349 -12.502 -13.988 1.00 0.00 C ATOM 874 C ARG 1 64 -15.515 -13.999 -13.742 1.00 0.00 C ATOM 875 O ARG 1 64 -15.832 -14.754 -14.659 1.00 0.00 O ATOM 876 CB ARG 1 64 -16.238 -12.065 -15.153 1.00 0.00 C ATOM 877 CG ARG 1 64 -17.665 -11.743 -14.742 1.00 0.00 C ATOM 878 CD ARG 1 64 -17.730 -10.480 -13.898 1.00 0.00 C ATOM 879 NE ARG 1 64 -18.049 -9.301 -14.700 1.00 0.00 N ATOM 880 CZ ARG 1 64 -18.432 -8.135 -14.184 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -18.544 -7.988 -12.870 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -18.703 -7.114 -14.985 1.00 0.00 N ATOM 0 H ARG 1 64 -13.449 -12.849 -14.821 1.00 0.00 H new ATOM 0 HA ARG 1 64 -15.652 -11.972 -13.085 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -15.798 -11.187 -15.625 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -16.254 -12.856 -15.903 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -18.282 -11.619 -15.632 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -18.080 -12.579 -14.180 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -18.483 -10.603 -13.119 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -16.774 -10.329 -13.397 1.00 0.00 H new ATOM 0 HE ARG 1 64 -17.974 -9.376 -15.714 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -18.336 -8.771 -12.250 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -18.838 -7.092 -12.480 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -18.618 -7.222 -15.996 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -18.997 -6.220 -14.591 1.00 0.00 H new ATOM 896 N GLY 1 65 -15.313 -14.424 -12.503 1.00 0.00 N ATOM 897 CA GLY 1 65 -15.452 -15.829 -12.178 1.00 0.00 C ATOM 898 C GLY 1 65 -14.217 -16.385 -11.505 1.00 0.00 C ATOM 899 O GLY 1 65 -13.978 -16.135 -10.324 1.00 0.00 O ATOM 0 H GLY 1 65 -15.056 -13.824 -11.719 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -16.313 -15.965 -11.523 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -15.652 -16.393 -13.089 1.00 0.00 H new ATOM 903 N ASP 1 66 -13.426 -17.136 -12.262 1.00 0.00 N ATOM 904 CA ASP 1 66 -12.201 -17.723 -11.735 1.00 0.00 C ATOM 905 C ASP 1 66 -11.503 -18.584 -12.782 1.00 0.00 C ATOM 906 O ASP 1 66 -11.771 -19.779 -12.905 1.00 0.00 O ATOM 907 CB ASP 1 66 -12.497 -18.556 -10.486 1.00 0.00 C ATOM 908 CG ASP 1 66 -13.655 -19.514 -10.690 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -14.745 -19.051 -11.088 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -13.472 -20.726 -10.453 1.00 0.00 O ATOM 0 H ASP 1 66 -13.611 -17.352 -13.241 1.00 0.00 H new ATOM 0 HA ASP 1 66 -11.533 -16.905 -11.466 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -11.606 -19.121 -10.210 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -12.723 -17.890 -9.653 1.00 0.00 H new ATOM 915 N TRP 1 67 -10.599 -17.961 -13.527 1.00 0.00 N ATOM 916 CA TRP 1 67 -9.839 -18.650 -14.566 1.00 0.00 C ATOM 917 C TRP 1 67 -8.352 -18.560 -14.269 1.00 0.00 C ATOM 918 O TRP 1 67 -7.700 -19.551 -13.939 1.00 0.00 O ATOM 919 CB TRP 1 67 -10.123 -18.033 -15.941 1.00 0.00 C ATOM 920 CG TRP 1 67 -10.994 -16.815 -15.888 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -10.676 -15.586 -15.377 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -12.335 -16.715 -16.365 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -11.744 -14.738 -15.503 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -12.771 -15.405 -16.109 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -13.208 -17.609 -16.984 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -14.042 -14.967 -16.451 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -14.474 -17.174 -17.325 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -14.881 -15.861 -17.058 1.00 0.00 C ATOM 0 H TRP 1 67 -10.372 -16.971 -13.431 1.00 0.00 H new ATOM 0 HA TRP 1 67 -10.145 -19.696 -14.578 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -9.177 -17.771 -16.414 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -10.599 -18.782 -16.574 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -9.724 -15.324 -14.939 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -11.769 -13.766 -15.194 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -12.900 -18.623 -17.193 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -14.358 -13.955 -16.245 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -15.160 -17.857 -17.805 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -15.876 -15.548 -17.337 1.00 0.00 H new ATOM 939 N ASN 1 68 -7.836 -17.349 -14.387 1.00 0.00 N ATOM 940 CA ASN 1 68 -6.431 -17.069 -14.134 1.00 0.00 C ATOM 941 C ASN 1 68 -6.275 -16.386 -12.781 1.00 0.00 C ATOM 942 O ASN 1 68 -5.266 -16.556 -12.096 1.00 0.00 O ATOM 943 CB ASN 1 68 -5.863 -16.179 -15.244 1.00 0.00 C ATOM 944 CG ASN 1 68 -6.479 -16.477 -16.600 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -7.707 -16.009 -16.811 1.00 0.00 O flip ATOM 946 ND2 ASN 1 68 -5.859 -17.119 -17.448 1.00 0.00 N flip ATOM 0 H ASN 1 68 -8.379 -16.530 -14.661 1.00 0.00 H new ATOM 0 HA ASN 1 68 -5.878 -18.008 -14.122 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -6.037 -15.133 -14.991 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -4.783 -16.318 -15.300 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -4.919 -17.459 -17.244 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -6.285 -17.311 -18.355 1.00 0.00 H new ATOM 953 N ASP 1 69 -7.294 -15.620 -12.403 1.00 0.00 N ATOM 954 CA ASP 1 69 -7.299 -14.913 -11.129 1.00 0.00 C ATOM 955 C ASP 1 69 -6.166 -13.900 -11.044 1.00 0.00 C ATOM 956 O ASP 1 69 -5.089 -14.105 -11.602 1.00 0.00 O ATOM 957 CB ASP 1 69 -7.182 -15.905 -9.974 1.00 0.00 C ATOM 958 CG ASP 1 69 -8.525 -16.475 -9.561 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -9.048 -17.346 -10.286 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -9.053 -16.050 -8.511 1.00 0.00 O ATOM 0 H ASP 1 69 -8.132 -15.473 -12.966 1.00 0.00 H new ATOM 0 HA ASP 1 69 -8.244 -14.375 -11.058 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -6.519 -16.720 -10.265 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -6.722 -15.410 -9.119 1.00 0.00 H new ATOM 965 N ASP 1 70 -6.417 -12.815 -10.324 1.00 0.00 N ATOM 966 CA ASP 1 70 -5.420 -11.772 -10.139 1.00 0.00 C ATOM 967 C ASP 1 70 -4.667 -12.006 -8.840 1.00 0.00 C ATOM 968 O ASP 1 70 -5.275 -12.091 -7.774 1.00 0.00 O ATOM 969 CB ASP 1 70 -6.085 -10.397 -10.120 1.00 0.00 C ATOM 970 CG ASP 1 70 -5.087 -9.269 -10.258 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -4.200 -9.158 -9.389 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -5.192 -8.498 -11.235 1.00 0.00 O ATOM 0 H ASP 1 70 -7.306 -12.635 -9.857 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.717 -11.805 -10.971 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -6.811 -10.337 -10.931 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -6.637 -10.277 -9.188 1.00 0.00 H new ATOM 977 N TYR 1 71 -3.349 -12.141 -8.928 1.00 0.00 N ATOM 978 CA TYR 1 71 -2.547 -12.405 -7.743 1.00 0.00 C ATOM 979 C TYR 1 71 -1.326 -11.510 -7.632 1.00 0.00 C ATOM 980 O TYR 1 71 -0.681 -11.179 -8.626 1.00 0.00 O ATOM 981 CB TYR 1 71 -2.100 -13.856 -7.745 1.00 0.00 C ATOM 982 CG TYR 1 71 -3.182 -14.802 -7.318 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -3.513 -14.925 -5.984 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -3.869 -15.567 -8.244 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -4.501 -15.787 -5.571 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -4.864 -16.434 -7.847 1.00 0.00 C ATOM 987 CZ TYR 1 71 -5.179 -16.543 -6.506 1.00 0.00 C ATOM 988 OH TYR 1 71 -6.170 -17.408 -6.102 1.00 0.00 O ATOM 0 H TYR 1 71 -2.819 -12.073 -9.797 1.00 0.00 H new ATOM 0 HA TYR 1 71 -3.181 -12.191 -6.883 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -1.763 -14.126 -8.746 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -1.244 -13.968 -7.080 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -2.986 -14.333 -5.251 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -3.622 -15.484 -9.292 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -4.745 -15.872 -4.522 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -5.394 -17.025 -8.579 1.00 0.00 H new ATOM 0 HH TYR 1 71 -6.547 -17.862 -6.884 1.00 0.00 H new ATOM 998 N CYS 1 72 -1.011 -11.144 -6.395 1.00 0.00 N ATOM 999 CA CYS 1 72 0.141 -10.308 -6.109 1.00 0.00 C ATOM 1000 C CYS 1 72 1.429 -11.078 -6.388 1.00 0.00 C ATOM 1001 O CYS 1 72 1.411 -12.304 -6.503 1.00 0.00 O ATOM 1002 CB CYS 1 72 0.101 -9.852 -4.651 1.00 0.00 C ATOM 1003 SG CYS 1 72 1.291 -8.532 -4.252 1.00 0.00 S ATOM 0 H CYS 1 72 -1.545 -11.418 -5.570 1.00 0.00 H new ATOM 0 HA CYS 1 72 0.114 -9.430 -6.754 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -0.905 -9.502 -4.418 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 0.297 -10.710 -4.008 1.00 0.00 H new ATOM 1008 N THR 1 73 2.542 -10.361 -6.505 1.00 0.00 N ATOM 1009 CA THR 1 73 3.829 -10.994 -6.779 1.00 0.00 C ATOM 1010 C THR 1 73 4.856 -10.675 -5.692 1.00 0.00 C ATOM 1011 O THR 1 73 6.049 -10.926 -5.861 1.00 0.00 O ATOM 1012 CB THR 1 73 4.354 -10.544 -8.143 1.00 0.00 C ATOM 1013 OG1 THR 1 73 4.912 -9.245 -8.063 1.00 0.00 O ATOM 1014 CG2 THR 1 73 3.283 -10.520 -9.214 1.00 0.00 C ATOM 0 H THR 1 73 2.580 -9.346 -6.415 1.00 0.00 H new ATOM 0 HA THR 1 73 3.675 -12.073 -6.787 1.00 0.00 H new ATOM 0 HB THR 1 73 5.109 -11.279 -8.421 1.00 0.00 H new ATOM 0 HG1 THR 1 73 5.244 -8.976 -8.945 1.00 0.00 H new ATOM 0 HG21 THR 1 73 3.719 -10.192 -10.158 1.00 0.00 H new ATOM 0 HG22 THR 1 73 2.867 -11.520 -9.335 1.00 0.00 H new ATOM 0 HG23 THR 1 73 2.491 -9.830 -8.922 1.00 0.00 H new ATOM 1022 N GLY 1 74 4.386 -10.127 -4.574 1.00 0.00 N ATOM 1023 CA GLY 1 74 5.273 -9.788 -3.473 1.00 0.00 C ATOM 1024 C GLY 1 74 6.498 -9.008 -3.913 1.00 0.00 C ATOM 1025 O GLY 1 74 7.533 -9.042 -3.246 1.00 0.00 O ATOM 0 H GLY 1 74 3.403 -9.911 -4.410 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 4.722 -9.202 -2.737 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 5.592 -10.704 -2.976 1.00 0.00 H new ATOM 1029 N LYS 1 75 6.387 -8.306 -5.037 1.00 0.00 N ATOM 1030 CA LYS 1 75 7.504 -7.522 -5.555 1.00 0.00 C ATOM 1031 C LYS 1 75 7.058 -6.131 -6.010 1.00 0.00 C ATOM 1032 O LYS 1 75 7.867 -5.352 -6.515 1.00 0.00 O ATOM 1033 CB LYS 1 75 8.169 -8.255 -6.721 1.00 0.00 C ATOM 1034 CG LYS 1 75 8.655 -9.652 -6.365 1.00 0.00 C ATOM 1035 CD LYS 1 75 8.272 -10.664 -7.431 1.00 0.00 C ATOM 1036 CE LYS 1 75 9.426 -10.934 -8.384 1.00 0.00 C ATOM 1037 NZ LYS 1 75 10.030 -9.673 -8.896 1.00 0.00 N ATOM 0 H LYS 1 75 5.540 -8.264 -5.604 1.00 0.00 H new ATOM 0 HA LYS 1 75 8.220 -7.398 -4.743 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 7.461 -8.325 -7.546 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 9.014 -7.665 -7.076 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 9.738 -9.642 -6.244 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 8.230 -9.953 -5.407 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 7.966 -11.596 -6.956 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 7.414 -10.295 -7.993 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 10.189 -11.521 -7.873 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 9.072 -11.533 -9.223 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 10.588 -9.877 -9.750 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 9.275 -8.996 -9.129 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 10.649 -9.264 -8.167 1.00 0.00 H new ATOM 1051 N SER 1 76 5.775 -5.818 -5.834 1.00 0.00 N ATOM 1052 CA SER 1 76 5.251 -4.517 -6.236 1.00 0.00 C ATOM 1053 C SER 1 76 3.884 -4.257 -5.613 1.00 0.00 C ATOM 1054 O SER 1 76 3.276 -5.150 -5.025 1.00 0.00 O ATOM 1055 CB SER 1 76 5.150 -4.433 -7.761 1.00 0.00 C ATOM 1056 OG SER 1 76 6.276 -5.026 -8.383 1.00 0.00 O ATOM 0 H SER 1 76 5.085 -6.444 -5.419 1.00 0.00 H new ATOM 0 HA SER 1 76 5.942 -3.754 -5.878 1.00 0.00 H new ATOM 0 HB2 SER 1 76 4.241 -4.933 -8.096 1.00 0.00 H new ATOM 0 HB3 SER 1 76 5.071 -3.389 -8.066 1.00 0.00 H new ATOM 0 HG SER 1 76 7.093 -4.732 -7.929 1.00 0.00 H new ATOM 1062 N SER 1 77 3.406 -3.024 -5.754 1.00 0.00 N ATOM 1063 CA SER 1 77 2.108 -2.633 -5.214 1.00 0.00 C ATOM 1064 C SER 1 77 0.986 -2.919 -6.211 1.00 0.00 C ATOM 1065 O SER 1 77 -0.158 -2.518 -5.999 1.00 0.00 O ATOM 1066 CB SER 1 77 2.116 -1.147 -4.852 1.00 0.00 C ATOM 1067 OG SER 1 77 3.440 -0.665 -4.701 1.00 0.00 O ATOM 0 H SER 1 77 3.901 -2.276 -6.240 1.00 0.00 H new ATOM 0 HA SER 1 77 1.925 -3.223 -4.316 1.00 0.00 H new ATOM 0 HB2 SER 1 77 1.605 -0.578 -5.629 1.00 0.00 H new ATOM 0 HB3 SER 1 77 1.562 -0.992 -3.926 1.00 0.00 H new ATOM 0 HG SER 1 77 4.000 -1.365 -4.304 1.00 0.00 H new ATOM 1073 N ASP 1 78 1.318 -3.613 -7.299 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.334 -3.942 -8.322 1.00 0.00 C ATOM 1075 C ASP 1 78 0.002 -5.432 -8.312 1.00 0.00 C ATOM 1076 O ASP 1 78 0.866 -6.273 -8.063 1.00 0.00 O ATOM 1077 CB ASP 1 78 0.850 -3.534 -9.703 1.00 0.00 C ATOM 1078 CG ASP 1 78 0.557 -2.081 -10.023 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 1.362 -1.212 -9.627 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 -0.477 -1.812 -10.670 1.00 0.00 O ATOM 0 H ASP 1 78 2.259 -3.956 -7.492 1.00 0.00 H new ATOM 0 HA ASP 1 78 -0.578 -3.388 -8.099 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 1.926 -3.704 -9.751 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 0.393 -4.170 -10.461 1.00 0.00 H new ATOM 1085 N CYS 1 79 -1.258 -5.743 -8.590 1.00 0.00 N ATOM 1086 CA CYS 1 79 -1.728 -7.123 -8.624 1.00 0.00 C ATOM 1087 C CYS 1 79 -2.215 -7.484 -10.029 1.00 0.00 C ATOM 1088 O CYS 1 79 -3.315 -7.100 -10.424 1.00 0.00 O ATOM 1089 CB CYS 1 79 -2.863 -7.311 -7.616 1.00 0.00 C ATOM 1090 SG CYS 1 79 -2.880 -8.946 -6.818 1.00 0.00 S ATOM 0 H CYS 1 79 -1.979 -5.051 -8.797 1.00 0.00 H new ATOM 0 HA CYS 1 79 -0.901 -7.782 -8.360 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -2.783 -6.543 -6.846 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.815 -7.156 -8.123 1.00 0.00 H new ATOM 1095 N PRO 1 80 -1.401 -8.219 -10.808 1.00 0.00 N ATOM 1096 CA PRO 1 80 -1.763 -8.615 -12.177 1.00 0.00 C ATOM 1097 C PRO 1 80 -2.897 -9.638 -12.218 1.00 0.00 C ATOM 1098 O PRO 1 80 -2.952 -10.553 -11.397 1.00 0.00 O ATOM 1099 CB PRO 1 80 -0.473 -9.230 -12.722 1.00 0.00 C ATOM 1100 CG PRO 1 80 0.266 -9.694 -11.515 1.00 0.00 C ATOM 1101 CD PRO 1 80 -0.065 -8.712 -10.427 1.00 0.00 C ATOM 0 HA PRO 1 80 -2.130 -7.767 -12.756 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 -0.684 -10.058 -13.399 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 0.107 -8.499 -13.284 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -0.037 -10.703 -11.236 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 1.340 -9.723 -11.701 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 -0.077 -9.187 -9.446 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 0.664 -7.903 -10.380 1.00 0.00 H new ATOM 1109 N TRP 1 81 -3.797 -9.476 -13.188 1.00 0.00 N ATOM 1110 CA TRP 1 81 -4.934 -10.388 -13.349 1.00 0.00 C ATOM 1111 C TRP 1 81 -4.483 -11.754 -13.843 1.00 0.00 C ATOM 1112 O TRP 1 81 -5.265 -12.704 -13.867 1.00 0.00 O ATOM 1113 CB TRP 1 81 -5.962 -9.847 -14.352 1.00 0.00 C ATOM 1114 CG TRP 1 81 -5.839 -8.390 -14.664 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 -5.049 -7.810 -15.615 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 -6.550 -7.335 -14.032 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 -5.229 -6.448 -15.604 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 -6.149 -6.133 -14.639 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -7.488 -7.297 -13.008 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 -6.661 -4.902 -14.252 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 -8.001 -6.074 -12.619 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 -7.587 -4.888 -13.242 1.00 0.00 C ATOM 0 H TRP 1 81 -3.762 -8.723 -13.875 1.00 0.00 H new ATOM 0 HA TRP 1 81 -5.390 -10.475 -12.363 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -5.871 -10.410 -15.281 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -6.962 -10.036 -13.961 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 -4.382 -8.343 -16.277 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 -4.756 -5.781 -16.214 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -7.811 -8.207 -12.524 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 -6.341 -3.988 -14.730 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 -8.731 -6.031 -11.824 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 -8.006 -3.946 -12.920 1.00 0.00 H new ATOM 1133 N ASN 1 82 -3.236 -11.834 -14.275 1.00 0.00 N ATOM 1134 CA ASN 1 82 -2.692 -13.073 -14.816 1.00 0.00 C ATOM 1135 C ASN 1 82 -3.398 -13.411 -16.126 1.00 0.00 C ATOM 1136 O ASN 1 82 -3.496 -14.576 -16.513 1.00 0.00 O ATOM 1137 CB ASN 1 82 -2.857 -14.222 -13.817 1.00 0.00 C ATOM 1138 CG ASN 1 82 -1.948 -14.075 -12.612 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -0.738 -14.285 -12.703 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -2.528 -13.712 -11.474 1.00 0.00 N ATOM 0 H ASN 1 82 -2.578 -11.055 -14.263 1.00 0.00 H new ATOM 0 HA ASN 1 82 -1.627 -12.936 -15.002 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -3.894 -14.264 -13.484 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -2.644 -15.167 -14.316 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -1.967 -13.597 -10.630 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -3.534 -13.548 -11.444 1.00 0.00 H new ATOM 1147 N HIS 1 83 -3.898 -12.374 -16.797 1.00 0.00 N ATOM 1148 CA HIS 1 83 -4.610 -12.534 -18.058 1.00 0.00 C ATOM 1149 C HIS 1 83 -3.702 -12.224 -19.244 1.00 0.00 C ATOM 1150 O HIS 1 83 -3.275 -13.178 -19.927 1.00 0.00 O ATOM 1151 CB HIS 1 83 -5.837 -11.618 -18.080 1.00 0.00 C ATOM 1152 CG HIS 1 83 -6.814 -11.925 -16.990 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -7.058 -13.077 -16.326 1.00 0.00 N flip ATOM 1154 CD2 HIS 1 83 -7.665 -10.985 -16.449 1.00 0.00 C flip ATOM 1155 CE1 HIS 1 83 -8.038 -12.817 -15.402 1.00 0.00 C flip ATOM 1156 NE2 HIS 1 83 -8.386 -11.548 -15.494 1.00 0.00 N flip ATOM 1157 OXT HIS 1 83 -3.427 -11.029 -19.480 1.00 0.00 O ATOM 0 H HIS 1 83 -3.820 -11.407 -16.482 1.00 0.00 H new ATOM 0 HA HIS 1 83 -4.932 -13.572 -18.142 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 -5.512 -10.582 -17.988 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 -6.336 -11.711 -19.045 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -7.732 -9.952 -16.757 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -8.456 -13.534 -14.712 1.00 0.00 H new ATOM 0 HE2 HIS 1 83 -9.092 -11.080 -14.925 1.00 0.00 H new TER 1166 HIS 1 83