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 73 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: 1 76 SER OG : rot 180:sc= 0 USER MOD Set 2.1: 1 68 ASN :FLIP amide:sc= -0.142 F(o=-11,f=-9.3) USER MOD Set 2.2: 1 83 HIS :FLIP no HE2:sc= -9.14! C(o=-12!,f=-9.3!) USER MOD Set 3.1: 1 30 ASN :FLIP amide:sc= -2 F(o=-7.6,f=-5.7) USER MOD Set 3.2: 1 33 THR OG1 : rot -149:sc= -3.66! USER MOD Single : 1 1 SER N :NH3+ -130:sc= -0.956 (180deg=-4.31!) USER MOD Single : 1 1 SER OG : rot 180:sc= -0.823 USER MOD Single : 1 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 8 LYS NZ :NH3+ 157:sc= -0.0418 (180deg=-0.301) USER MOD Single : 1 12 GLN : amide:sc= -0.318 K(o=-0.32,f=-1.1) USER MOD Single : 1 20 SER OG : rot -6:sc= 1.02 USER MOD Single : 1 23 ASN : amide:sc= -1.17 K(o=-1.2,f=-6.5!) USER MOD Single : 1 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 37 THR OG1 : rot 120:sc= -4.55! USER MOD Single : 1 40 SER OG : rot -93:sc= -2.3 USER MOD Single : 1 41 GLN : amide:sc= -0.506 X(o=-0.51,f=-0.26) USER MOD Single : 1 43 ASN : amide:sc= -2.49 K(o=-2.5,f=-4.5!) USER MOD Single : 1 44 TYR OH : rot 180:sc= 0 USER MOD Single : 1 50 GLN : amide:sc= -0.822 K(o=-0.82,f=-2.7!) USER MOD Single : 1 54 LYS NZ :NH3+ -152:sc= -0.403 (180deg=-1.19) USER MOD Single : 1 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 58 THR OG1 : rot 76:sc= 0.99 USER MOD Single : 1 71 TYR OH : rot 180:sc= 0 USER MOD Single : 1 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 77 SER OG : rot 180:sc= 0.00635 USER MOD Single : 1 82 ASN : amide:sc= -0.395 X(o=-0.4,f=-0.063) USER MOD ----------------------------------------------------------------- ATOM 1 N SER 1 1 -6.513 16.810 18.364 1.00 0.00 N ATOM 2 CA SER 1 1 -5.524 17.088 19.444 1.00 0.00 C ATOM 3 C SER 1 1 -4.098 17.144 18.894 1.00 0.00 C ATOM 4 O SER 1 1 -3.420 18.165 19.012 1.00 0.00 O ATOM 5 CB SER 1 1 -5.635 15.998 20.517 1.00 0.00 C ATOM 6 OG SER 1 1 -6.439 14.919 20.071 1.00 0.00 O ATOM 0 H1 SER 1 1 -7.286 17.504 18.414 1.00 0.00 H new ATOM 0 H2 SER 1 1 -6.045 16.880 17.438 1.00 0.00 H new ATOM 0 H3 SER 1 1 -6.899 15.852 18.485 1.00 0.00 H new ATOM 0 HA SER 1 1 -5.746 18.062 19.879 1.00 0.00 H new ATOM 0 HB2 SER 1 1 -4.640 15.632 20.772 1.00 0.00 H new ATOM 0 HB3 SER 1 1 -6.062 16.421 21.426 1.00 0.00 H new ATOM 0 HG SER 1 1 -6.491 14.238 20.774 1.00 0.00 H new ATOM 14 N PRO 1 2 -3.622 16.045 18.283 1.00 0.00 N ATOM 15 CA PRO 1 2 -2.272 15.979 17.718 1.00 0.00 C ATOM 16 C PRO 1 2 -2.163 16.733 16.392 1.00 0.00 C ATOM 17 O PRO 1 2 -3.169 16.991 15.731 1.00 0.00 O ATOM 18 CB PRO 1 2 -2.058 14.482 17.516 1.00 0.00 C ATOM 19 CG PRO 1 2 -3.423 13.943 17.265 1.00 0.00 C ATOM 20 CD PRO 1 2 -4.360 14.779 18.096 1.00 0.00 C ATOM 0 HA PRO 1 2 -1.526 16.444 18.363 1.00 0.00 H new ATOM 0 HB2 PRO 1 2 -1.393 14.286 16.675 1.00 0.00 H new ATOM 0 HB3 PRO 1 2 -1.605 14.023 18.395 1.00 0.00 H new ATOM 0 HG2 PRO 1 2 -3.679 14.006 16.207 1.00 0.00 H new ATOM 0 HG3 PRO 1 2 -3.485 12.892 17.546 1.00 0.00 H new ATOM 0 HD2 PRO 1 2 -5.311 14.940 17.588 1.00 0.00 H new ATOM 0 HD3 PRO 1 2 -4.585 14.301 19.050 1.00 0.00 H new ATOM 28 N PRO 1 3 -0.936 17.117 15.996 1.00 0.00 N ATOM 29 CA PRO 1 3 -0.696 17.866 14.762 1.00 0.00 C ATOM 30 C PRO 1 3 -0.522 16.997 13.531 1.00 0.00 C ATOM 31 O PRO 1 3 0.283 16.066 13.509 1.00 0.00 O ATOM 32 CB PRO 1 3 0.599 18.604 15.078 1.00 0.00 C ATOM 33 CG PRO 1 3 1.350 17.674 15.973 1.00 0.00 C ATOM 34 CD PRO 1 3 0.318 16.877 16.737 1.00 0.00 C ATOM 0 HA PRO 1 3 -1.544 18.502 14.509 1.00 0.00 H new ATOM 0 HB2 PRO 1 3 1.162 18.823 14.171 1.00 0.00 H new ATOM 0 HB3 PRO 1 3 0.403 19.557 15.570 1.00 0.00 H new ATOM 0 HG2 PRO 1 3 1.995 17.015 15.392 1.00 0.00 H new ATOM 0 HG3 PRO 1 3 1.993 18.229 16.656 1.00 0.00 H new ATOM 0 HD2 PRO 1 3 0.570 15.817 16.762 1.00 0.00 H new ATOM 0 HD3 PRO 1 3 0.241 17.211 17.772 1.00 0.00 H new ATOM 42 N VAL 1 4 -1.274 17.344 12.496 1.00 0.00 N ATOM 43 CA VAL 1 4 -1.222 16.659 11.238 1.00 0.00 C ATOM 44 C VAL 1 4 -0.030 17.167 10.441 1.00 0.00 C ATOM 45 O VAL 1 4 -0.129 18.158 9.718 1.00 0.00 O ATOM 46 CB VAL 1 4 -2.524 16.867 10.431 1.00 0.00 C ATOM 47 CG1 VAL 1 4 -2.949 15.572 9.769 1.00 0.00 C ATOM 48 CG2 VAL 1 4 -3.650 17.398 11.310 1.00 0.00 C ATOM 0 H VAL 1 4 -1.939 18.117 12.519 1.00 0.00 H new ATOM 0 HA VAL 1 4 -1.115 15.591 11.428 1.00 0.00 H new ATOM 0 HB VAL 1 4 -2.318 17.612 9.662 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 -3.867 15.736 9.205 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 -2.163 15.234 9.093 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 -3.123 14.813 10.532 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 -4.549 17.532 10.708 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 -3.852 16.687 12.111 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 -3.355 18.355 11.740 1.00 0.00 H new ATOM 58 N CYS 1 5 1.102 16.493 10.596 1.00 0.00 N ATOM 59 CA CYS 1 5 2.323 16.901 9.902 1.00 0.00 C ATOM 60 C CYS 1 5 2.158 16.688 8.404 1.00 0.00 C ATOM 61 O CYS 1 5 2.319 15.579 7.895 1.00 0.00 O ATOM 62 CB CYS 1 5 3.562 16.124 10.400 1.00 0.00 C ATOM 63 SG CYS 1 5 3.371 15.267 12.004 1.00 0.00 S ATOM 0 H CYS 1 5 1.204 15.669 11.189 1.00 0.00 H new ATOM 0 HA CYS 1 5 2.485 17.957 10.117 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 3.832 15.386 9.645 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 4.397 16.820 10.478 1.00 0.00 H new ATOM 68 N GLY 1 6 1.815 17.768 7.708 1.00 0.00 N ATOM 69 CA GLY 1 6 1.604 17.700 6.277 1.00 0.00 C ATOM 70 C GLY 1 6 0.146 17.454 5.932 1.00 0.00 C ATOM 71 O GLY 1 6 -0.173 17.025 4.823 1.00 0.00 O ATOM 0 H GLY 1 6 1.679 18.693 8.115 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 1.934 18.631 5.816 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 2.216 16.902 5.857 1.00 0.00 H new ATOM 75 N ASN 1 7 -0.739 17.719 6.893 1.00 0.00 N ATOM 76 CA ASN 1 7 -2.172 17.517 6.700 1.00 0.00 C ATOM 77 C ASN 1 7 -2.468 16.047 6.436 1.00 0.00 C ATOM 78 O ASN 1 7 -1.741 15.381 5.699 1.00 0.00 O ATOM 79 CB ASN 1 7 -2.688 18.373 5.542 1.00 0.00 C ATOM 80 CG ASN 1 7 -3.197 19.725 6.004 1.00 0.00 C ATOM 81 OD1 ASN 1 7 -2.470 20.718 5.973 1.00 0.00 O ATOM 82 ND2 ASN 1 7 -4.452 19.769 6.435 1.00 0.00 N ATOM 0 H ASN 1 7 -0.486 18.075 7.815 1.00 0.00 H new ATOM 0 HA ASN 1 7 -2.686 17.823 7.612 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 -1.888 18.518 4.816 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 -3.490 17.841 5.030 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 -4.850 20.651 6.758 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 -5.018 18.921 6.443 1.00 0.00 H new ATOM 89 N LYS 1 8 -3.530 15.537 7.051 1.00 0.00 N ATOM 90 CA LYS 1 8 -3.904 14.136 6.889 1.00 0.00 C ATOM 91 C LYS 1 8 -3.924 13.751 5.421 1.00 0.00 C ATOM 92 O LYS 1 8 -4.794 14.192 4.670 1.00 0.00 O ATOM 93 CB LYS 1 8 -5.274 13.867 7.514 1.00 0.00 C ATOM 94 CG LYS 1 8 -5.475 12.420 7.938 1.00 0.00 C ATOM 95 CD LYS 1 8 -5.304 11.460 6.768 1.00 0.00 C ATOM 96 CE LYS 1 8 -6.176 10.225 6.931 1.00 0.00 C ATOM 97 NZ LYS 1 8 -7.623 10.544 6.789 1.00 0.00 N ATOM 0 H LYS 1 8 -4.146 16.071 7.665 1.00 0.00 H new ATOM 0 HA LYS 1 8 -3.158 13.529 7.401 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 -5.401 14.513 8.383 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 -6.050 14.139 6.799 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 -4.761 12.168 8.722 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 -6.471 12.301 8.364 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 -5.560 11.968 5.838 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 -4.259 11.161 6.690 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 -5.894 9.481 6.187 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 -5.997 9.781 7.910 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 -8.143 9.685 6.518 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 -7.990 10.900 7.694 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 -7.748 11.270 6.055 1.00 0.00 H new ATOM 111 N ILE 1 9 -2.960 12.930 5.010 1.00 0.00 N ATOM 112 CA ILE 1 9 -2.896 12.503 3.606 1.00 0.00 C ATOM 113 C ILE 1 9 -4.275 12.075 3.120 1.00 0.00 C ATOM 114 O ILE 1 9 -4.923 11.219 3.720 1.00 0.00 O ATOM 115 CB ILE 1 9 -1.881 11.365 3.344 1.00 0.00 C ATOM 116 CG1 ILE 1 9 -1.853 10.352 4.489 1.00 0.00 C ATOM 117 CG2 ILE 1 9 -0.492 11.943 3.113 1.00 0.00 C ATOM 118 CD1 ILE 1 9 -2.897 9.266 4.365 1.00 0.00 C ATOM 0 H ILE 1 9 -2.226 12.552 5.610 1.00 0.00 H new ATOM 0 HA ILE 1 9 -2.546 13.371 3.047 1.00 0.00 H new ATOM 0 HB ILE 1 9 -2.203 10.835 2.447 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 -0.866 9.892 4.531 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 -2.000 10.879 5.432 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 0.213 11.133 2.930 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 -0.513 12.608 2.249 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 -0.180 12.503 3.994 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 -2.816 8.585 5.212 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 -3.890 9.715 4.354 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 -2.739 8.713 3.439 1.00 0.00 H new ATOM 130 N LEU 1 10 -4.734 12.712 2.052 1.00 0.00 N ATOM 131 CA LEU 1 10 -6.057 12.435 1.508 1.00 0.00 C ATOM 132 C LEU 1 10 -6.071 11.249 0.553 1.00 0.00 C ATOM 133 O LEU 1 10 -7.067 11.012 -0.129 1.00 0.00 O ATOM 134 CB LEU 1 10 -6.611 13.679 0.805 1.00 0.00 C ATOM 135 CG LEU 1 10 -5.649 14.398 -0.155 1.00 0.00 C ATOM 136 CD1 LEU 1 10 -4.821 15.438 0.586 1.00 0.00 C ATOM 137 CD2 LEU 1 10 -4.742 13.410 -0.881 1.00 0.00 C ATOM 0 H LEU 1 10 -4.210 13.425 1.544 1.00 0.00 H new ATOM 0 HA LEU 1 10 -6.694 12.171 2.352 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 -7.501 13.390 0.246 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 -6.930 14.390 1.567 1.00 0.00 H new ATOM 0 HG LEU 1 10 -6.254 14.908 -0.904 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 -4.148 15.933 -0.114 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 -5.484 16.177 1.037 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 -4.237 14.950 1.367 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 -4.075 13.953 -1.551 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 -4.151 12.855 -0.152 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 -5.350 12.715 -1.459 1.00 0.00 H new ATOM 149 N GLU 1 11 -4.979 10.504 0.509 1.00 0.00 N ATOM 150 CA GLU 1 11 -4.898 9.340 -0.373 1.00 0.00 C ATOM 151 C GLU 1 11 -3.539 8.644 -0.306 1.00 0.00 C ATOM 152 O GLU 1 11 -3.104 8.054 -1.295 1.00 0.00 O ATOM 153 CB GLU 1 11 -5.173 9.753 -1.822 1.00 0.00 C ATOM 154 CG GLU 1 11 -4.115 10.681 -2.397 1.00 0.00 C ATOM 155 CD GLU 1 11 -4.660 11.585 -3.485 1.00 0.00 C ATOM 156 OE1 GLU 1 11 -5.884 11.836 -3.491 1.00 0.00 O ATOM 157 OE2 GLU 1 11 -3.864 12.042 -4.332 1.00 0.00 O ATOM 0 H GLU 1 11 -4.142 10.677 1.065 1.00 0.00 H new ATOM 0 HA GLU 1 11 -5.654 8.635 -0.027 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 -5.236 8.858 -2.441 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 -6.144 10.245 -1.874 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 -3.700 11.293 -1.596 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 -3.296 10.086 -2.801 1.00 0.00 H new ATOM 164 N GLN 1 12 -2.864 8.699 0.841 1.00 0.00 N ATOM 165 CA GLN 1 12 -1.562 8.047 0.953 1.00 0.00 C ATOM 166 C GLN 1 12 -0.977 8.100 2.363 1.00 0.00 C ATOM 167 O GLN 1 12 -0.256 9.033 2.710 1.00 0.00 O ATOM 168 CB GLN 1 12 -0.578 8.681 -0.024 1.00 0.00 C ATOM 169 CG GLN 1 12 -0.231 10.131 0.294 1.00 0.00 C ATOM 170 CD GLN 1 12 0.010 10.957 -0.953 1.00 0.00 C ATOM 171 OE1 GLN 1 12 -0.866 11.082 -1.809 1.00 0.00 O ATOM 172 NE2 GLN 1 12 1.204 11.528 -1.063 1.00 0.00 N ATOM 0 H GLN 1 12 -3.186 9.174 1.684 1.00 0.00 H new ATOM 0 HA GLN 1 12 -1.722 6.996 0.712 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 0.339 8.093 -0.032 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 -0.997 8.631 -1.029 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 -1.042 10.577 0.870 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 0.659 10.159 0.922 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 1.901 11.398 -0.330 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 1.424 12.096 -1.881 1.00 0.00 H new ATOM 181 N GLY 1 13 -1.263 7.075 3.160 1.00 0.00 N ATOM 182 CA GLY 1 13 -0.729 7.012 4.511 1.00 0.00 C ATOM 183 C GLY 1 13 0.659 6.395 4.550 1.00 0.00 C ATOM 184 O GLY 1 13 0.911 5.464 5.316 1.00 0.00 O ATOM 0 H GLY 1 13 -1.854 6.287 2.896 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 -0.690 8.017 4.932 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 -1.402 6.429 5.139 1.00 0.00 H new ATOM 188 N GLU 1 14 1.558 6.914 3.715 1.00 0.00 N ATOM 189 CA GLU 1 14 2.933 6.415 3.641 1.00 0.00 C ATOM 190 C GLU 1 14 3.665 7.032 2.458 1.00 0.00 C ATOM 191 O GLU 1 14 4.876 7.242 2.505 1.00 0.00 O ATOM 192 CB GLU 1 14 2.951 4.887 3.532 1.00 0.00 C ATOM 193 CG GLU 1 14 3.723 4.208 4.650 1.00 0.00 C ATOM 194 CD GLU 1 14 3.967 2.736 4.380 1.00 0.00 C ATOM 195 OE1 GLU 1 14 4.992 2.411 3.744 1.00 0.00 O ATOM 196 OE2 GLU 1 14 3.132 1.909 4.803 1.00 0.00 O ATOM 0 H GLU 1 14 1.358 7.684 3.077 1.00 0.00 H new ATOM 0 HA GLU 1 14 3.446 6.704 4.558 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 1.925 4.519 3.534 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 3.389 4.604 2.575 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 4.680 4.712 4.784 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 3.172 4.316 5.584 1.00 0.00 H new ATOM 203 N ASP 1 15 2.921 7.329 1.403 1.00 0.00 N ATOM 204 CA ASP 1 15 3.495 7.933 0.211 1.00 0.00 C ATOM 205 C ASP 1 15 4.260 9.197 0.561 1.00 0.00 C ATOM 206 O ASP 1 15 5.427 9.347 0.201 1.00 0.00 O ATOM 207 CB ASP 1 15 2.392 8.273 -0.781 1.00 0.00 C ATOM 208 CG ASP 1 15 2.932 8.683 -2.137 1.00 0.00 C ATOM 209 OD1 ASP 1 15 4.067 8.281 -2.470 1.00 0.00 O ATOM 210 OD2 ASP 1 15 2.220 9.405 -2.866 1.00 0.00 O ATOM 0 H ASP 1 15 1.916 7.161 1.349 1.00 0.00 H new ATOM 0 HA ASP 1 15 4.184 7.216 -0.235 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 1.738 7.410 -0.901 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 1.782 9.081 -0.377 1.00 0.00 H new ATOM 215 N CYS 1 16 3.592 10.109 1.261 1.00 0.00 N ATOM 216 CA CYS 1 16 4.212 11.366 1.653 1.00 0.00 C ATOM 217 C CYS 1 16 3.192 12.331 2.252 1.00 0.00 C ATOM 218 O CYS 1 16 2.122 12.559 1.688 1.00 0.00 O ATOM 219 CB CYS 1 16 4.905 12.008 0.444 1.00 0.00 C ATOM 220 SG CYS 1 16 4.998 13.833 0.492 1.00 0.00 S ATOM 0 H CYS 1 16 2.625 10.000 1.567 1.00 0.00 H new ATOM 0 HA CYS 1 16 4.954 11.150 2.421 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 5.916 11.609 0.369 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 4.376 11.709 -0.461 1.00 0.00 H new ATOM 225 N ASP 1 17 3.557 12.902 3.394 1.00 0.00 N ATOM 226 CA ASP 1 17 2.720 13.868 4.100 1.00 0.00 C ATOM 227 C ASP 1 17 1.623 13.169 4.888 1.00 0.00 C ATOM 228 O ASP 1 17 0.492 13.649 4.946 1.00 0.00 O ATOM 229 CB ASP 1 17 2.109 14.880 3.120 1.00 0.00 C ATOM 230 CG ASP 1 17 2.448 16.312 3.481 1.00 0.00 C ATOM 231 OD1 ASP 1 17 3.511 16.533 4.098 1.00 0.00 O ATOM 232 OD2 ASP 1 17 1.651 17.213 3.146 1.00 0.00 O ATOM 0 H ASP 1 17 4.444 12.708 3.859 1.00 0.00 H new ATOM 0 HA ASP 1 17 3.356 14.406 4.803 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 2.467 14.668 2.113 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 1.026 14.759 3.105 1.00 0.00 H new ATOM 237 N CYS 1 18 1.967 12.031 5.498 1.00 0.00 N ATOM 238 CA CYS 1 18 1.008 11.255 6.285 1.00 0.00 C ATOM 239 C CYS 1 18 0.033 12.158 7.022 1.00 0.00 C ATOM 240 O CYS 1 18 -1.141 11.824 7.168 1.00 0.00 O ATOM 241 CB CYS 1 18 1.724 10.353 7.296 1.00 0.00 C ATOM 242 SG CYS 1 18 1.127 8.632 7.288 1.00 0.00 S ATOM 0 H CYS 1 18 2.903 11.628 5.461 1.00 0.00 H new ATOM 0 HA CYS 1 18 0.451 10.635 5.583 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 2.793 10.359 7.083 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 1.596 10.769 8.296 1.00 0.00 H new ATOM 247 N GLY 1 19 0.527 13.300 7.488 1.00 0.00 N ATOM 248 CA GLY 1 19 -0.319 14.220 8.212 1.00 0.00 C ATOM 249 C GLY 1 19 -0.811 13.628 9.503 1.00 0.00 C ATOM 250 O GLY 1 19 -0.467 14.113 10.572 1.00 0.00 O ATOM 0 H GLY 1 19 1.495 13.601 7.376 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 0.234 15.136 8.420 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 -1.171 14.496 7.591 1.00 0.00 H new ATOM 254 N SER 1 20 -1.617 12.575 9.414 1.00 0.00 N ATOM 255 CA SER 1 20 -2.155 11.946 10.602 1.00 0.00 C ATOM 256 C SER 1 20 -1.042 11.637 11.590 1.00 0.00 C ATOM 257 O SER 1 20 -0.276 10.689 11.420 1.00 0.00 O ATOM 258 CB SER 1 20 -2.926 10.684 10.246 1.00 0.00 C ATOM 259 OG SER 1 20 -2.061 9.571 10.105 1.00 0.00 O ATOM 0 H SER 1 20 -1.907 12.146 8.535 1.00 0.00 H new ATOM 0 HA SER 1 20 -2.849 12.642 11.073 1.00 0.00 H new ATOM 0 HB2 SER 1 20 -3.665 10.477 11.020 1.00 0.00 H new ATOM 0 HB3 SER 1 20 -3.474 10.841 9.317 1.00 0.00 H new ATOM 0 HG SER 1 20 -1.130 9.869 10.173 1.00 0.00 H new ATOM 265 N PRO 1 21 -0.934 12.475 12.628 1.00 0.00 N ATOM 266 CA PRO 1 21 0.096 12.345 13.650 1.00 0.00 C ATOM 267 C PRO 1 21 0.131 10.957 14.270 1.00 0.00 C ATOM 268 O PRO 1 21 1.181 10.497 14.719 1.00 0.00 O ATOM 269 CB PRO 1 21 -0.268 13.406 14.699 1.00 0.00 C ATOM 270 CG PRO 1 21 -1.622 13.917 14.320 1.00 0.00 C ATOM 271 CD PRO 1 21 -1.802 13.633 12.860 1.00 0.00 C ATOM 0 HA PRO 1 21 1.091 12.488 13.229 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 -0.280 12.976 15.700 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 0.465 14.213 14.708 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 -2.398 13.426 14.907 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 -1.701 14.986 14.518 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 -2.842 13.410 12.619 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 -1.508 14.484 12.246 1.00 0.00 H new ATOM 279 N ALA 1 22 -1.012 10.279 14.276 1.00 0.00 N ATOM 280 CA ALA 1 22 -1.083 8.931 14.823 1.00 0.00 C ATOM 281 C ALA 1 22 -0.010 8.050 14.189 1.00 0.00 C ATOM 282 O ALA 1 22 0.425 7.058 14.773 1.00 0.00 O ATOM 283 CB ALA 1 22 -2.465 8.338 14.597 1.00 0.00 C ATOM 0 H ALA 1 22 -1.894 10.638 13.911 1.00 0.00 H new ATOM 0 HA ALA 1 22 -0.904 8.979 15.897 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 -2.501 7.331 15.012 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 -3.213 8.960 15.089 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 -2.673 8.298 13.528 1.00 0.00 H new ATOM 289 N ASN 1 23 0.411 8.432 12.984 1.00 0.00 N ATOM 290 CA ASN 1 23 1.432 7.698 12.253 1.00 0.00 C ATOM 291 C ASN 1 23 2.680 8.559 12.025 1.00 0.00 C ATOM 292 O ASN 1 23 3.748 8.040 11.703 1.00 0.00 O ATOM 293 CB ASN 1 23 0.868 7.225 10.913 1.00 0.00 C ATOM 294 CG ASN 1 23 -0.468 6.525 11.063 1.00 0.00 C ATOM 295 OD1 ASN 1 23 -0.928 6.273 12.177 1.00 0.00 O ATOM 296 ND2 ASN 1 23 -1.099 6.205 9.939 1.00 0.00 N ATOM 0 H ASN 1 23 0.055 9.253 12.494 1.00 0.00 H new ATOM 0 HA ASN 1 23 1.725 6.834 12.850 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 0.754 8.081 10.248 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 1.579 6.547 10.441 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 -2.002 5.731 9.978 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 -0.681 6.433 9.037 1.00 0.00 H new ATOM 303 N CYS 1 24 2.538 9.876 12.192 1.00 0.00 N ATOM 304 CA CYS 1 24 3.656 10.801 12.002 1.00 0.00 C ATOM 305 C CYS 1 24 4.814 10.454 12.931 1.00 0.00 C ATOM 306 O CYS 1 24 4.627 10.275 14.134 1.00 0.00 O ATOM 307 CB CYS 1 24 3.197 12.242 12.253 1.00 0.00 C ATOM 308 SG CYS 1 24 4.399 13.527 11.768 1.00 0.00 S ATOM 0 H CYS 1 24 1.661 10.324 12.458 1.00 0.00 H new ATOM 0 HA CYS 1 24 4.002 10.709 10.973 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 2.267 12.411 11.710 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 2.972 12.357 13.313 1.00 0.00 H new ATOM 313 N GLN 1 25 6.013 10.360 12.362 1.00 0.00 N ATOM 314 CA GLN 1 25 7.203 10.033 13.139 1.00 0.00 C ATOM 315 C GLN 1 25 7.027 8.703 13.864 1.00 0.00 C ATOM 316 O GLN 1 25 7.586 8.491 14.940 1.00 0.00 O ATOM 317 CB GLN 1 25 7.501 11.144 14.148 1.00 0.00 C ATOM 318 CG GLN 1 25 7.310 12.545 13.586 1.00 0.00 C ATOM 319 CD GLN 1 25 8.564 13.391 13.687 1.00 0.00 C ATOM 320 OE1 GLN 1 25 9.465 13.288 12.854 1.00 0.00 O ATOM 321 NE2 GLN 1 25 8.628 14.235 14.710 1.00 0.00 N ATOM 0 H GLN 1 25 6.185 10.506 11.367 1.00 0.00 H new ATOM 0 HA GLN 1 25 8.044 9.944 12.452 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 6.854 11.018 15.016 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 8.528 11.039 14.499 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 7.007 12.475 12.541 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 6.499 13.039 14.121 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 7.858 14.288 15.377 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 9.447 14.831 14.829 1.00 0.00 H new ATOM 330 N ASP 1 26 6.243 7.812 13.266 1.00 0.00 N ATOM 331 CA ASP 1 26 5.985 6.502 13.850 1.00 0.00 C ATOM 332 C ASP 1 26 5.124 5.655 12.915 1.00 0.00 C ATOM 333 O ASP 1 26 5.034 5.934 11.719 1.00 0.00 O ATOM 334 CB ASP 1 26 5.297 6.658 15.209 1.00 0.00 C ATOM 335 CG ASP 1 26 5.813 5.668 16.235 1.00 0.00 C ATOM 336 OD1 ASP 1 26 6.295 4.590 15.829 1.00 0.00 O ATOM 337 OD2 ASP 1 26 5.733 5.971 17.444 1.00 0.00 O ATOM 0 H ASP 1 26 5.774 7.975 12.375 1.00 0.00 H new ATOM 0 HA ASP 1 26 6.938 5.993 13.993 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 5.451 7.672 15.577 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 4.222 6.523 15.087 1.00 0.00 H new ATOM 342 N ARG 1 27 4.494 4.621 13.463 1.00 0.00 N ATOM 343 CA ARG 1 27 3.644 3.738 12.673 1.00 0.00 C ATOM 344 C ARG 1 27 4.435 3.101 11.529 1.00 0.00 C ATOM 345 O ARG 1 27 5.146 2.117 11.735 1.00 0.00 O ATOM 346 CB ARG 1 27 2.429 4.509 12.143 1.00 0.00 C ATOM 347 CG ARG 1 27 1.542 3.691 11.214 1.00 0.00 C ATOM 348 CD ARG 1 27 0.184 3.405 11.837 1.00 0.00 C ATOM 349 NE ARG 1 27 0.031 1.996 12.192 1.00 0.00 N ATOM 350 CZ ARG 1 27 0.541 1.448 13.293 1.00 0.00 C ATOM 351 NH1 ARG 1 27 1.238 2.186 14.149 1.00 0.00 N ATOM 352 NH2 ARG 1 27 0.354 0.159 13.540 1.00 0.00 N ATOM 0 H ARG 1 27 4.556 4.374 14.451 1.00 0.00 H new ATOM 0 HA ARG 1 27 3.286 2.933 13.315 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 1.833 4.856 12.987 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 2.776 5.396 11.612 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 1.406 4.228 10.275 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 2.037 2.750 10.974 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 0.057 4.019 12.728 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 -0.603 3.691 11.139 1.00 0.00 H new ATOM 0 HE ARG 1 27 -0.498 1.396 11.559 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 1.385 3.178 13.965 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 1.626 1.761 14.991 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 -0.181 -0.413 12.886 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 0.745 -0.261 14.384 1.00 0.00 H new ATOM 366 N CYS 1 28 4.316 3.659 10.327 1.00 0.00 N ATOM 367 CA CYS 1 28 5.028 3.130 9.171 1.00 0.00 C ATOM 368 C CYS 1 28 5.080 4.156 8.042 1.00 0.00 C ATOM 369 O CYS 1 28 5.240 3.798 6.874 1.00 0.00 O ATOM 370 CB CYS 1 28 4.357 1.845 8.680 1.00 0.00 C ATOM 371 SG CYS 1 28 5.520 0.494 8.301 1.00 0.00 S ATOM 0 H CYS 1 28 3.735 4.474 10.130 1.00 0.00 H new ATOM 0 HA CYS 1 28 6.050 2.906 9.477 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 3.654 1.502 9.439 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 3.776 2.071 7.786 1.00 0.00 H new ATOM 376 N CYS 1 29 4.949 5.432 8.392 1.00 0.00 N ATOM 377 CA CYS 1 29 4.981 6.497 7.395 1.00 0.00 C ATOM 378 C CYS 1 29 5.695 7.733 7.914 1.00 0.00 C ATOM 379 O CYS 1 29 5.902 7.895 9.117 1.00 0.00 O ATOM 380 CB CYS 1 29 3.563 6.868 6.971 1.00 0.00 C ATOM 381 SG CYS 1 29 2.565 7.617 8.294 1.00 0.00 S ATOM 0 H CYS 1 29 4.821 5.752 9.352 1.00 0.00 H new ATOM 0 HA CYS 1 29 5.535 6.120 6.535 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 3.616 7.563 6.133 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 3.057 5.972 6.611 1.00 0.00 H new ATOM 386 N ASN 1 30 6.061 8.602 6.985 1.00 0.00 N ATOM 387 CA ASN 1 30 6.748 9.836 7.311 1.00 0.00 C ATOM 388 C ASN 1 30 5.872 11.035 7.009 1.00 0.00 C ATOM 389 O ASN 1 30 5.861 11.553 5.892 1.00 0.00 O ATOM 390 CB ASN 1 30 8.055 9.935 6.532 1.00 0.00 C ATOM 391 CG ASN 1 30 9.170 9.129 7.168 1.00 0.00 C ATOM 392 OD1 ASN 1 30 9.347 9.290 8.474 1.00 0.00 O flip ATOM 393 ND2 ASN 1 30 9.865 8.369 6.493 1.00 0.00 N flip ATOM 0 H ASN 1 30 5.890 8.470 5.988 1.00 0.00 H new ATOM 0 HA ASN 1 30 6.970 9.830 8.378 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 7.894 9.586 5.512 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 8.358 10.980 6.467 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 9.694 8.276 5.492 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 10.611 7.833 6.935 1.00 0.00 H new ATOM 400 N ALA 1 31 5.166 11.487 8.028 1.00 0.00 N ATOM 401 CA ALA 1 31 4.308 12.653 7.899 1.00 0.00 C ATOM 402 C ALA 1 31 5.167 13.904 7.964 1.00 0.00 C ATOM 403 O ALA 1 31 4.802 14.961 7.450 1.00 0.00 O ATOM 404 CB ALA 1 31 3.244 12.667 8.990 1.00 0.00 C ATOM 0 H ALA 1 31 5.169 11.065 8.956 1.00 0.00 H new ATOM 0 HA ALA 1 31 3.790 12.618 6.940 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 2.614 13.549 8.873 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 2.630 11.770 8.911 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 3.726 12.693 9.968 1.00 0.00 H new ATOM 410 N ALA 1 32 6.331 13.754 8.593 1.00 0.00 N ATOM 411 CA ALA 1 32 7.283 14.846 8.726 1.00 0.00 C ATOM 412 C ALA 1 32 8.440 14.683 7.745 1.00 0.00 C ATOM 413 O ALA 1 32 9.361 15.500 7.720 1.00 0.00 O ATOM 414 CB ALA 1 32 7.812 14.906 10.150 1.00 0.00 C ATOM 0 H ALA 1 32 6.636 12.879 9.020 1.00 0.00 H new ATOM 0 HA ALA 1 32 6.768 15.778 8.495 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 8.524 15.727 10.239 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 6.983 15.068 10.839 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 8.309 13.967 10.394 1.00 0.00 H new ATOM 420 N THR 1 33 8.406 13.609 6.956 1.00 0.00 N ATOM 421 CA THR 1 33 9.474 13.336 6.004 1.00 0.00 C ATOM 422 C THR 1 33 8.950 13.142 4.582 1.00 0.00 C ATOM 423 O THR 1 33 9.723 12.874 3.663 1.00 0.00 O ATOM 424 CB THR 1 33 10.264 12.111 6.459 1.00 0.00 C ATOM 425 OG1 THR 1 33 9.822 11.677 7.733 1.00 0.00 O ATOM 426 CG2 THR 1 33 11.740 12.365 6.572 1.00 0.00 C ATOM 0 H THR 1 33 7.654 12.920 6.959 1.00 0.00 H new ATOM 0 HA THR 1 33 10.130 14.206 5.980 1.00 0.00 H new ATOM 0 HB THR 1 33 10.090 11.357 5.692 1.00 0.00 H new ATOM 0 HG1 THR 1 33 10.571 11.272 8.218 1.00 0.00 H new ATOM 0 HG21 THR 1 33 12.242 11.454 6.899 1.00 0.00 H new ATOM 0 HG22 THR 1 33 12.133 12.667 5.601 1.00 0.00 H new ATOM 0 HG23 THR 1 33 11.918 13.158 7.298 1.00 0.00 H new ATOM 434 N CYS 1 34 7.644 13.300 4.397 1.00 0.00 N ATOM 435 CA CYS 1 34 7.041 13.164 3.076 1.00 0.00 C ATOM 436 C CYS 1 34 7.425 11.839 2.410 1.00 0.00 C ATOM 437 O CYS 1 34 7.878 11.819 1.266 1.00 0.00 O ATOM 438 CB CYS 1 34 7.460 14.353 2.199 1.00 0.00 C ATOM 439 SG CYS 1 34 6.985 14.232 0.440 1.00 0.00 S ATOM 0 H CYS 1 34 6.984 13.522 5.143 1.00 0.00 H new ATOM 0 HA CYS 1 34 5.957 13.161 3.192 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 7.023 15.261 2.614 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 8.543 14.464 2.259 1.00 0.00 H new ATOM 444 N LYS 1 35 7.248 10.727 3.120 1.00 0.00 N ATOM 445 CA LYS 1 35 7.583 9.429 2.546 1.00 0.00 C ATOM 446 C LYS 1 35 7.204 8.275 3.460 1.00 0.00 C ATOM 447 O LYS 1 35 6.680 8.466 4.554 1.00 0.00 O ATOM 448 CB LYS 1 35 9.074 9.356 2.237 1.00 0.00 C ATOM 449 CG LYS 1 35 9.396 9.514 0.760 1.00 0.00 C ATOM 450 CD LYS 1 35 9.752 8.181 0.121 1.00 0.00 C ATOM 451 CE LYS 1 35 11.256 8.015 -0.022 1.00 0.00 C ATOM 452 NZ LYS 1 35 11.678 6.599 0.165 1.00 0.00 N ATOM 0 H LYS 1 35 6.883 10.698 4.072 1.00 0.00 H new ATOM 0 HA LYS 1 35 7.004 9.333 1.627 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 9.592 10.133 2.799 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 9.463 8.399 2.585 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 8.540 9.949 0.244 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 10.227 10.209 0.640 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 9.351 7.368 0.726 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 9.282 8.110 -0.860 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 11.567 8.359 -1.008 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 11.762 8.644 0.710 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 12.710 6.528 0.060 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 11.404 6.278 1.115 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 11.215 6.002 -0.549 1.00 0.00 H new ATOM 466 N LEU 1 36 7.492 7.070 2.991 1.00 0.00 N ATOM 467 CA LEU 1 36 7.217 5.859 3.754 1.00 0.00 C ATOM 468 C LEU 1 36 8.331 5.636 4.772 1.00 0.00 C ATOM 469 O LEU 1 36 9.387 6.261 4.685 1.00 0.00 O ATOM 470 CB LEU 1 36 7.105 4.649 2.823 1.00 0.00 C ATOM 471 CG LEU 1 36 8.156 4.588 1.708 1.00 0.00 C ATOM 472 CD1 LEU 1 36 8.816 3.219 1.665 1.00 0.00 C ATOM 473 CD2 LEU 1 36 7.527 4.920 0.363 1.00 0.00 C ATOM 0 H LEU 1 36 7.919 6.903 2.080 1.00 0.00 H new ATOM 0 HA LEU 1 36 6.267 5.978 4.275 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 7.180 3.741 3.422 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 6.115 4.650 2.368 1.00 0.00 H new ATOM 0 HG LEU 1 36 8.924 5.331 1.922 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 9.558 3.198 0.867 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 9.304 3.020 2.619 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 8.060 2.456 1.478 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 8.288 4.872 -0.416 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 6.737 4.202 0.144 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 7.105 5.925 0.397 1.00 0.00 H new ATOM 485 N THR 1 37 8.099 4.758 5.742 1.00 0.00 N ATOM 486 CA THR 1 37 9.107 4.493 6.764 1.00 0.00 C ATOM 487 C THR 1 37 10.104 3.430 6.319 1.00 0.00 C ATOM 488 O THR 1 37 9.758 2.499 5.590 1.00 0.00 O ATOM 489 CB THR 1 37 8.453 4.056 8.069 1.00 0.00 C ATOM 490 OG1 THR 1 37 7.451 3.086 7.827 1.00 0.00 O ATOM 491 CG2 THR 1 37 7.828 5.202 8.831 1.00 0.00 C ATOM 0 H THR 1 37 7.236 4.224 5.843 1.00 0.00 H new ATOM 0 HA THR 1 37 9.648 5.426 6.922 1.00 0.00 H new ATOM 0 HB THR 1 37 9.256 3.639 8.676 1.00 0.00 H new ATOM 0 HG1 THR 1 37 7.676 2.258 8.301 1.00 0.00 H new ATOM 0 HG21 THR 1 37 7.379 4.826 9.750 1.00 0.00 H new ATOM 0 HG22 THR 1 37 8.595 5.937 9.076 1.00 0.00 H new ATOM 0 HG23 THR 1 37 7.059 5.671 8.217 1.00 0.00 H new ATOM 499 N PRO 1 38 11.363 3.556 6.771 1.00 0.00 N ATOM 500 CA PRO 1 38 12.429 2.607 6.440 1.00 0.00 C ATOM 501 C PRO 1 38 11.995 1.155 6.617 1.00 0.00 C ATOM 502 O PRO 1 38 11.235 0.831 7.530 1.00 0.00 O ATOM 503 CB PRO 1 38 13.518 2.959 7.451 1.00 0.00 C ATOM 504 CG PRO 1 38 13.331 4.412 7.701 1.00 0.00 C ATOM 505 CD PRO 1 38 11.846 4.639 7.654 1.00 0.00 C ATOM 0 HA PRO 1 38 12.739 2.683 5.398 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 13.411 2.380 8.369 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 14.511 2.748 7.055 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 13.742 4.700 8.669 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 13.843 5.009 6.947 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 11.398 4.579 8.646 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 11.602 5.623 7.254 1.00 0.00 H new ATOM 513 N GLY 1 39 12.485 0.286 5.741 1.00 0.00 N ATOM 514 CA GLY 1 39 12.141 -1.121 5.822 1.00 0.00 C ATOM 515 C GLY 1 39 10.952 -1.485 4.955 1.00 0.00 C ATOM 516 O GLY 1 39 10.943 -2.537 4.315 1.00 0.00 O ATOM 0 H GLY 1 39 13.114 0.530 4.976 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 13.001 -1.719 5.521 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 11.922 -1.378 6.858 1.00 0.00 H new ATOM 520 N SER 1 40 9.945 -0.618 4.934 1.00 0.00 N ATOM 521 CA SER 1 40 8.747 -0.863 4.139 1.00 0.00 C ATOM 522 C SER 1 40 9.095 -1.016 2.662 1.00 0.00 C ATOM 523 O SER 1 40 10.077 -0.447 2.183 1.00 0.00 O ATOM 524 CB SER 1 40 7.743 0.276 4.326 1.00 0.00 C ATOM 525 OG SER 1 40 8.065 1.381 3.503 1.00 0.00 O ATOM 0 H SER 1 40 9.934 0.258 5.457 1.00 0.00 H new ATOM 0 HA SER 1 40 8.296 -1.794 4.484 1.00 0.00 H new ATOM 0 HB2 SER 1 40 6.740 -0.077 4.089 1.00 0.00 H new ATOM 0 HB3 SER 1 40 7.733 0.588 5.370 1.00 0.00 H new ATOM 0 HG SER 1 40 8.621 2.012 4.006 1.00 0.00 H new ATOM 531 N GLN 1 41 8.289 -1.792 1.945 1.00 0.00 N ATOM 532 CA GLN 1 41 8.516 -2.024 0.523 1.00 0.00 C ATOM 533 C GLN 1 41 7.587 -1.169 -0.331 1.00 0.00 C ATOM 534 O GLN 1 41 7.945 -0.761 -1.436 1.00 0.00 O ATOM 535 CB GLN 1 41 8.314 -3.503 0.188 1.00 0.00 C ATOM 536 CG GLN 1 41 9.584 -4.331 0.297 1.00 0.00 C ATOM 537 CD GLN 1 41 9.443 -5.701 -0.338 1.00 0.00 C ATOM 538 OE1 GLN 1 41 10.124 -6.019 -1.313 1.00 0.00 O ATOM 539 NE2 GLN 1 41 8.555 -6.520 0.213 1.00 0.00 N ATOM 0 H GLN 1 41 7.473 -2.271 2.325 1.00 0.00 H new ATOM 0 HA GLN 1 41 9.544 -1.741 0.299 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 7.561 -3.919 0.857 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 7.921 -3.587 -0.825 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 10.404 -3.796 -0.181 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 9.849 -4.447 1.348 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 8.012 -6.215 1.021 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 8.416 -7.455 -0.171 1.00 0.00 H new ATOM 548 N CYS 1 42 6.390 -0.905 0.182 1.00 0.00 N ATOM 549 CA CYS 1 42 5.412 -0.103 -0.543 1.00 0.00 C ATOM 550 C CYS 1 42 4.601 0.772 0.403 1.00 0.00 C ATOM 551 O CYS 1 42 4.236 0.350 1.500 1.00 0.00 O ATOM 552 CB CYS 1 42 4.476 -1.008 -1.342 1.00 0.00 C ATOM 553 SG CYS 1 42 3.238 -0.106 -2.327 1.00 0.00 S ATOM 0 H CYS 1 42 6.075 -1.234 1.095 1.00 0.00 H new ATOM 0 HA CYS 1 42 5.956 0.549 -1.226 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 5.072 -1.632 -2.009 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 3.960 -1.678 -0.654 1.00 0.00 H new ATOM 558 N ASN 1 43 4.317 1.992 -0.037 1.00 0.00 N ATOM 559 CA ASN 1 43 3.539 2.932 0.759 1.00 0.00 C ATOM 560 C ASN 1 43 2.074 2.516 0.786 1.00 0.00 C ATOM 561 O ASN 1 43 1.404 2.613 1.814 1.00 0.00 O ATOM 562 CB ASN 1 43 3.673 4.346 0.189 1.00 0.00 C ATOM 563 CG ASN 1 43 3.395 4.397 -1.300 1.00 0.00 C ATOM 564 OD1 ASN 1 43 2.274 4.147 -1.744 1.00 0.00 O ATOM 565 ND2 ASN 1 43 4.418 4.723 -2.082 1.00 0.00 N ATOM 0 H ASN 1 43 4.615 2.354 -0.943 1.00 0.00 H new ATOM 0 HA ASN 1 43 3.924 2.926 1.779 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 2.983 5.011 0.708 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 4.679 4.718 0.381 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 4.291 4.774 -3.093 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 5.330 4.922 -1.672 1.00 0.00 H new ATOM 572 N TYR 1 44 1.590 2.046 -0.358 1.00 0.00 N ATOM 573 CA TYR 1 44 0.208 1.600 -0.491 1.00 0.00 C ATOM 574 C TYR 1 44 -0.054 1.091 -1.905 1.00 0.00 C ATOM 575 O TYR 1 44 0.739 1.331 -2.815 1.00 0.00 O ATOM 576 CB TYR 1 44 -0.765 2.736 -0.151 1.00 0.00 C ATOM 577 CG TYR 1 44 -0.841 3.818 -1.207 1.00 0.00 C ATOM 578 CD1 TYR 1 44 -1.454 3.579 -2.432 1.00 0.00 C ATOM 579 CD2 TYR 1 44 -0.298 5.075 -0.980 1.00 0.00 C ATOM 580 CE1 TYR 1 44 -1.524 4.562 -3.398 1.00 0.00 C ATOM 581 CE2 TYR 1 44 -0.363 6.064 -1.940 1.00 0.00 C ATOM 582 CZ TYR 1 44 -0.977 5.804 -3.149 1.00 0.00 C ATOM 583 OH TYR 1 44 -1.044 6.787 -4.109 1.00 0.00 O ATOM 0 H TYR 1 44 2.140 1.964 -1.213 1.00 0.00 H new ATOM 0 HA TYR 1 44 0.046 0.783 0.213 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 -1.760 2.316 -0.003 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 -0.465 3.186 0.795 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 -1.883 2.608 -2.631 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 0.184 5.283 -0.036 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 -2.004 4.360 -4.344 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 0.064 7.037 -1.747 1.00 0.00 H new ATOM 0 HH TYR 1 44 -0.613 7.601 -3.774 1.00 0.00 H new ATOM 593 N GLY 1 45 -1.167 0.390 -2.084 1.00 0.00 N ATOM 594 CA GLY 1 45 -1.504 -0.135 -3.394 1.00 0.00 C ATOM 595 C GLY 1 45 -2.091 -1.530 -3.330 1.00 0.00 C ATOM 596 O GLY 1 45 -2.340 -2.059 -2.246 1.00 0.00 O ATOM 0 H GLY 1 45 -1.840 0.176 -1.348 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -2.217 0.533 -3.877 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -0.609 -0.150 -4.016 1.00 0.00 H new ATOM 600 N GLU 1 46 -2.314 -2.127 -4.496 1.00 0.00 N ATOM 601 CA GLU 1 46 -2.878 -3.470 -4.573 1.00 0.00 C ATOM 602 C GLU 1 46 -2.016 -4.473 -3.815 1.00 0.00 C ATOM 603 O GLU 1 46 -2.524 -5.300 -3.058 1.00 0.00 O ATOM 604 CB GLU 1 46 -3.007 -3.905 -6.032 1.00 0.00 C ATOM 605 CG GLU 1 46 -4.246 -3.357 -6.723 1.00 0.00 C ATOM 606 CD GLU 1 46 -3.914 -2.349 -7.806 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -3.295 -2.745 -8.815 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -4.273 -1.164 -7.643 1.00 0.00 O ATOM 0 H GLU 1 46 -2.113 -1.702 -5.401 1.00 0.00 H new ATOM 0 HA GLU 1 46 -3.866 -3.445 -4.112 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -2.122 -3.580 -6.579 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -3.027 -4.994 -6.077 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -4.808 -4.182 -7.160 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -4.893 -2.888 -5.982 1.00 0.00 H new ATOM 615 N CYS 1 47 -0.708 -4.397 -4.031 1.00 0.00 N ATOM 616 CA CYS 1 47 0.231 -5.300 -3.378 1.00 0.00 C ATOM 617 C CYS 1 47 0.940 -4.611 -2.221 1.00 0.00 C ATOM 618 O CYS 1 47 2.128 -4.828 -2.001 1.00 0.00 O ATOM 619 CB CYS 1 47 1.270 -5.786 -4.385 1.00 0.00 C ATOM 620 SG CYS 1 47 0.709 -7.160 -5.431 1.00 0.00 S ATOM 0 H CYS 1 47 -0.273 -3.717 -4.655 1.00 0.00 H new ATOM 0 HA CYS 1 47 -0.333 -6.147 -2.988 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 1.557 -4.951 -5.025 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 2.165 -6.097 -3.845 1.00 0.00 H new ATOM 625 N CYS 1 48 0.222 -3.771 -1.490 1.00 0.00 N ATOM 626 CA CYS 1 48 0.825 -3.055 -0.375 1.00 0.00 C ATOM 627 C CYS 1 48 -0.054 -3.112 0.869 1.00 0.00 C ATOM 628 O CYS 1 48 -1.122 -2.502 0.921 1.00 0.00 O ATOM 629 CB CYS 1 48 1.096 -1.605 -0.774 1.00 0.00 C ATOM 630 SG CYS 1 48 1.697 -1.415 -2.486 1.00 0.00 S ATOM 0 H CYS 1 48 -0.766 -3.570 -1.645 1.00 0.00 H new ATOM 0 HA CYS 1 48 1.769 -3.542 -0.130 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 0.180 -1.027 -0.654 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 1.832 -1.181 -0.091 1.00 0.00 H new ATOM 635 N ASP 1 49 0.415 -3.848 1.871 1.00 0.00 N ATOM 636 CA ASP 1 49 -0.309 -3.991 3.127 1.00 0.00 C ATOM 637 C ASP 1 49 0.643 -3.829 4.306 1.00 0.00 C ATOM 638 O ASP 1 49 1.703 -4.454 4.348 1.00 0.00 O ATOM 639 CB ASP 1 49 -0.999 -5.355 3.194 1.00 0.00 C ATOM 640 CG ASP 1 49 -2.348 -5.288 3.882 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -3.142 -4.385 3.545 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -2.610 -6.139 4.758 1.00 0.00 O ATOM 0 H ASP 1 49 1.298 -4.357 1.836 1.00 0.00 H new ATOM 0 HA ASP 1 49 -1.070 -3.212 3.178 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -1.128 -5.743 2.184 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -0.358 -6.058 3.726 1.00 0.00 H new ATOM 647 N GLN 1 50 0.266 -2.980 5.257 1.00 0.00 N ATOM 648 CA GLN 1 50 1.095 -2.729 6.432 1.00 0.00 C ATOM 649 C GLN 1 50 2.377 -2.004 6.036 1.00 0.00 C ATOM 650 O GLN 1 50 2.546 -0.820 6.325 1.00 0.00 O ATOM 651 CB GLN 1 50 1.429 -4.043 7.146 1.00 0.00 C ATOM 652 CG GLN 1 50 0.669 -4.237 8.448 1.00 0.00 C ATOM 653 CD GLN 1 50 0.998 -3.175 9.479 1.00 0.00 C ATOM 654 OE1 GLN 1 50 0.567 -2.027 9.364 1.00 0.00 O ATOM 655 NE2 GLN 1 50 1.766 -3.553 10.494 1.00 0.00 N ATOM 0 H GLN 1 50 -0.608 -2.454 5.237 1.00 0.00 H new ATOM 0 HA GLN 1 50 0.533 -2.095 7.117 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 1.208 -4.876 6.478 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 2.499 -4.074 7.351 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 -0.402 -4.222 8.245 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 0.902 -5.220 8.857 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 2.101 -4.515 10.550 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 2.021 -2.882 11.218 1.00 0.00 H new ATOM 664 N CYS 1 51 3.276 -2.722 5.367 1.00 0.00 N ATOM 665 CA CYS 1 51 4.541 -2.145 4.924 1.00 0.00 C ATOM 666 C CYS 1 51 5.371 -3.171 4.153 1.00 0.00 C ATOM 667 O CYS 1 51 6.597 -3.195 4.255 1.00 0.00 O ATOM 668 CB CYS 1 51 5.333 -1.617 6.125 1.00 0.00 C ATOM 669 SG CYS 1 51 5.279 0.196 6.307 1.00 0.00 S ATOM 0 H CYS 1 51 3.151 -3.704 5.120 1.00 0.00 H new ATOM 0 HA CYS 1 51 4.319 -1.315 4.254 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 4.944 -2.075 7.034 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 6.372 -1.932 6.029 1.00 0.00 H new ATOM 674 N ARG 1 52 4.695 -4.017 3.379 1.00 0.00 N ATOM 675 CA ARG 1 52 5.371 -5.042 2.590 1.00 0.00 C ATOM 676 C ARG 1 52 4.515 -5.465 1.400 1.00 0.00 C ATOM 677 O ARG 1 52 3.327 -5.150 1.338 1.00 0.00 O ATOM 678 CB ARG 1 52 5.683 -6.259 3.462 1.00 0.00 C ATOM 679 CG ARG 1 52 7.034 -6.179 4.154 1.00 0.00 C ATOM 680 CD ARG 1 52 7.978 -7.265 3.663 1.00 0.00 C ATOM 681 NE ARG 1 52 9.378 -6.926 3.909 1.00 0.00 N ATOM 682 CZ ARG 1 52 10.368 -7.816 3.908 1.00 0.00 C ATOM 683 NH1 ARG 1 52 10.116 -9.098 3.675 1.00 0.00 N ATOM 684 NH2 ARG 1 52 11.613 -7.423 4.141 1.00 0.00 N ATOM 0 H ARG 1 52 3.680 -4.012 3.282 1.00 0.00 H new ATOM 0 HA ARG 1 52 6.303 -4.621 2.214 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 4.903 -6.365 4.216 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 5.653 -7.156 2.844 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 7.479 -5.200 3.974 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 6.898 -6.274 5.231 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 7.740 -8.205 4.161 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 7.825 -7.422 2.595 1.00 0.00 H new ATOM 0 HE ARG 1 52 9.610 -5.950 4.092 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 9.160 -9.405 3.496 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 10.878 -9.776 3.675 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 11.812 -6.439 4.321 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 12.372 -8.105 4.140 1.00 0.00 H new ATOM 698 N PHE 1 53 5.122 -6.181 0.456 1.00 0.00 N ATOM 699 CA PHE 1 53 4.400 -6.642 -0.724 1.00 0.00 C ATOM 700 C PHE 1 53 3.517 -7.832 -0.386 1.00 0.00 C ATOM 701 O PHE 1 53 3.938 -8.752 0.316 1.00 0.00 O ATOM 702 CB PHE 1 53 5.368 -7.019 -1.851 1.00 0.00 C ATOM 703 CG PHE 1 53 5.974 -5.831 -2.540 1.00 0.00 C ATOM 704 CD1 PHE 1 53 5.199 -4.725 -2.838 1.00 0.00 C ATOM 705 CD2 PHE 1 53 7.314 -5.821 -2.890 1.00 0.00 C ATOM 706 CE1 PHE 1 53 5.743 -3.630 -3.470 1.00 0.00 C ATOM 707 CE2 PHE 1 53 7.868 -4.725 -3.525 1.00 0.00 C ATOM 708 CZ PHE 1 53 7.080 -3.627 -3.816 1.00 0.00 C ATOM 0 H PHE 1 53 6.105 -6.452 0.486 1.00 0.00 H new ATOM 0 HA PHE 1 53 3.771 -5.820 -1.066 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 6.166 -7.638 -1.442 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 4.839 -7.625 -2.586 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 4.153 -4.720 -2.571 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 7.932 -6.678 -2.665 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 5.125 -2.774 -3.695 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 8.914 -4.727 -3.793 1.00 0.00 H new ATOM 0 HZ PHE 1 53 7.509 -2.769 -4.313 1.00 0.00 H new ATOM 718 N LYS 1 54 2.292 -7.812 -0.894 1.00 0.00 N ATOM 719 CA LYS 1 54 1.353 -8.898 -0.647 1.00 0.00 C ATOM 720 C LYS 1 54 1.907 -10.211 -1.184 1.00 0.00 C ATOM 721 O LYS 1 54 1.734 -10.530 -2.357 1.00 0.00 O ATOM 722 CB LYS 1 54 0.001 -8.594 -1.296 1.00 0.00 C ATOM 723 CG LYS 1 54 -0.808 -7.543 -0.552 1.00 0.00 C ATOM 724 CD LYS 1 54 -1.397 -8.101 0.733 1.00 0.00 C ATOM 725 CE LYS 1 54 -2.725 -7.442 1.068 1.00 0.00 C ATOM 726 NZ LYS 1 54 -3.812 -7.884 0.152 1.00 0.00 N ATOM 0 H LYS 1 54 1.926 -7.059 -1.477 1.00 0.00 H new ATOM 0 HA LYS 1 54 1.211 -8.991 0.430 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 0.166 -8.256 -2.319 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -0.580 -9.514 -1.354 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -0.172 -6.689 -0.321 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -1.611 -7.179 -1.193 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -1.539 -9.177 0.633 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -0.696 -7.947 1.553 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -2.998 -7.679 2.096 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -2.618 -6.359 1.008 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -4.526 -7.132 0.073 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -3.414 -8.084 -0.788 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -4.256 -8.745 0.530 1.00 0.00 H new ATOM 740 N LYS 1 55 2.583 -10.962 -0.314 1.00 0.00 N ATOM 741 CA LYS 1 55 3.185 -12.248 -0.684 1.00 0.00 C ATOM 742 C LYS 1 55 2.490 -12.875 -1.890 1.00 0.00 C ATOM 743 O LYS 1 55 1.262 -12.993 -1.922 1.00 0.00 O ATOM 744 CB LYS 1 55 3.133 -13.213 0.502 1.00 0.00 C ATOM 745 CG LYS 1 55 3.809 -14.548 0.230 1.00 0.00 C ATOM 746 CD LYS 1 55 4.044 -15.325 1.515 1.00 0.00 C ATOM 747 CE LYS 1 55 5.394 -14.991 2.129 1.00 0.00 C ATOM 748 NZ LYS 1 55 5.927 -16.116 2.945 1.00 0.00 N ATOM 0 H LYS 1 55 2.729 -10.701 0.661 1.00 0.00 H new ATOM 0 HA LYS 1 55 4.223 -12.058 -0.958 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 3.608 -12.743 1.363 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 2.091 -13.390 0.770 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 3.191 -15.139 -0.446 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 4.761 -14.379 -0.274 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 3.252 -15.098 2.229 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 3.991 -16.394 1.310 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 6.103 -14.749 1.337 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 5.299 -14.103 2.754 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 6.848 -15.848 3.346 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 5.263 -16.330 3.716 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 6.042 -16.957 2.344 1.00 0.00 H new ATOM 762 N ALA 1 56 3.284 -13.268 -2.886 1.00 0.00 N ATOM 763 CA ALA 1 56 2.745 -13.876 -4.097 1.00 0.00 C ATOM 764 C ALA 1 56 1.656 -14.880 -3.757 1.00 0.00 C ATOM 765 O ALA 1 56 1.855 -15.775 -2.936 1.00 0.00 O ATOM 766 CB ALA 1 56 3.843 -14.553 -4.896 1.00 0.00 C ATOM 0 H ALA 1 56 4.300 -13.176 -2.876 1.00 0.00 H new ATOM 0 HA ALA 1 56 2.311 -13.082 -4.704 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 3.417 -14.999 -5.795 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 4.595 -13.816 -5.178 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 4.307 -15.331 -4.290 1.00 0.00 H new ATOM 772 N GLY 1 57 0.500 -14.712 -4.375 1.00 0.00 N ATOM 773 CA GLY 1 57 -0.612 -15.599 -4.104 1.00 0.00 C ATOM 774 C GLY 1 57 -1.775 -14.860 -3.478 1.00 0.00 C ATOM 775 O GLY 1 57 -2.866 -15.411 -3.336 1.00 0.00 O ATOM 0 H GLY 1 57 0.310 -13.979 -5.059 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -0.937 -16.070 -5.032 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -0.287 -16.398 -3.438 1.00 0.00 H new ATOM 779 N THR 1 58 -1.544 -13.600 -3.117 1.00 0.00 N ATOM 780 CA THR 1 58 -2.581 -12.772 -2.523 1.00 0.00 C ATOM 781 C THR 1 58 -3.477 -12.184 -3.609 1.00 0.00 C ATOM 782 O THR 1 58 -3.074 -11.265 -4.320 1.00 0.00 O ATOM 783 CB THR 1 58 -1.949 -11.641 -1.709 1.00 0.00 C ATOM 784 OG1 THR 1 58 -1.133 -12.161 -0.674 1.00 0.00 O ATOM 785 CG2 THR 1 58 -2.970 -10.725 -1.073 1.00 0.00 C ATOM 0 H THR 1 58 -0.644 -13.133 -3.227 1.00 0.00 H new ATOM 0 HA THR 1 58 -3.185 -13.394 -1.863 1.00 0.00 H new ATOM 0 HB THR 1 58 -1.359 -11.065 -2.422 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -0.289 -12.484 -1.054 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -2.458 -9.945 -0.510 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -3.584 -10.269 -1.850 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -3.606 -11.300 -0.400 1.00 0.00 H new ATOM 793 N VAL 1 59 -4.690 -12.714 -3.740 1.00 0.00 N ATOM 794 CA VAL 1 59 -5.619 -12.219 -4.750 1.00 0.00 C ATOM 795 C VAL 1 59 -6.011 -10.776 -4.458 1.00 0.00 C ATOM 796 O VAL 1 59 -6.562 -10.477 -3.398 1.00 0.00 O ATOM 797 CB VAL 1 59 -6.897 -13.081 -4.835 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -7.688 -13.005 -3.538 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -7.753 -12.648 -6.019 1.00 0.00 C ATOM 0 H VAL 1 59 -5.049 -13.477 -3.167 1.00 0.00 H new ATOM 0 HA VAL 1 59 -5.101 -12.276 -5.707 1.00 0.00 H new ATOM 0 HB VAL 1 59 -6.602 -14.119 -4.987 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -8.584 -13.620 -3.622 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -7.073 -13.369 -2.715 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -7.975 -11.971 -3.347 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -8.650 -13.266 -6.065 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -8.038 -11.603 -5.899 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -7.184 -12.766 -6.941 1.00 0.00 H new ATOM 809 N CYS 1 60 -5.718 -9.879 -5.394 1.00 0.00 N ATOM 810 CA CYS 1 60 -6.044 -8.465 -5.212 1.00 0.00 C ATOM 811 C CYS 1 60 -7.073 -7.984 -6.234 1.00 0.00 C ATOM 812 O CYS 1 60 -7.660 -6.914 -6.074 1.00 0.00 O ATOM 813 CB CYS 1 60 -4.786 -7.590 -5.307 1.00 0.00 C ATOM 814 SG CYS 1 60 -3.216 -8.476 -5.055 1.00 0.00 S ATOM 0 H CYS 1 60 -5.260 -10.100 -6.278 1.00 0.00 H new ATOM 0 HA CYS 1 60 -6.474 -8.369 -4.215 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -4.765 -7.115 -6.288 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -4.859 -6.792 -4.568 1.00 0.00 H new ATOM 819 N ARG 1 61 -7.278 -8.766 -7.289 1.00 0.00 N ATOM 820 CA ARG 1 61 -8.227 -8.396 -8.335 1.00 0.00 C ATOM 821 C ARG 1 61 -8.791 -9.627 -9.041 1.00 0.00 C ATOM 822 O ARG 1 61 -8.470 -10.763 -8.692 1.00 0.00 O ATOM 823 CB ARG 1 61 -7.554 -7.472 -9.354 1.00 0.00 C ATOM 824 CG ARG 1 61 -7.917 -6.006 -9.181 1.00 0.00 C ATOM 825 CD ARG 1 61 -7.918 -5.270 -10.513 1.00 0.00 C ATOM 826 NE ARG 1 61 -6.706 -5.531 -11.287 1.00 0.00 N ATOM 827 CZ ARG 1 61 -5.518 -5.005 -11.005 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -5.373 -4.188 -9.969 1.00 0.00 N ATOM 829 NH2 ARG 1 61 -4.469 -5.299 -11.761 1.00 0.00 N ATOM 0 H ARG 1 61 -6.803 -9.655 -7.443 1.00 0.00 H new ATOM 0 HA ARG 1 61 -9.056 -7.871 -7.861 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -6.473 -7.582 -9.272 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -7.832 -7.790 -10.359 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -8.901 -5.926 -8.719 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -7.207 -5.532 -8.503 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -8.790 -5.572 -11.093 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -8.010 -4.199 -10.335 1.00 0.00 H new ATOM 0 HE ARG 1 61 -6.776 -6.154 -12.092 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -6.176 -3.960 -9.383 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 -4.458 -3.788 -9.759 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 -4.574 -5.928 -12.557 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 -3.557 -4.896 -11.546 1.00 0.00 H new ATOM 843 N ILE 1 62 -9.628 -9.383 -10.043 1.00 0.00 N ATOM 844 CA ILE 1 62 -10.244 -10.443 -10.822 1.00 0.00 C ATOM 845 C ILE 1 62 -11.023 -9.852 -11.977 1.00 0.00 C ATOM 846 O ILE 1 62 -11.677 -8.818 -11.840 1.00 0.00 O ATOM 847 CB ILE 1 62 -11.209 -11.336 -10.006 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -11.522 -10.740 -8.632 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -10.631 -12.731 -9.866 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -11.868 -9.266 -8.662 1.00 0.00 C ATOM 0 H ILE 1 62 -9.897 -8.444 -10.336 1.00 0.00 H new ATOM 0 HA ILE 1 62 -9.421 -11.069 -11.168 1.00 0.00 H new ATOM 0 HB ILE 1 62 -12.151 -11.391 -10.551 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -12.354 -11.289 -8.191 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -10.661 -10.887 -7.979 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -11.317 -13.353 -9.290 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -10.489 -13.167 -10.855 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -9.671 -12.677 -9.352 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -12.076 -8.921 -7.649 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -11.029 -8.704 -9.072 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -12.748 -9.111 -9.286 1.00 0.00 H new ATOM 862 N ALA 1 63 -10.956 -10.517 -13.109 1.00 0.00 N ATOM 863 CA ALA 1 63 -11.667 -10.059 -14.287 1.00 0.00 C ATOM 864 C ALA 1 63 -13.175 -10.033 -14.026 1.00 0.00 C ATOM 865 O ALA 1 63 -13.710 -9.027 -13.561 1.00 0.00 O ATOM 866 CB ALA 1 63 -11.318 -10.920 -15.495 1.00 0.00 C ATOM 0 H ALA 1 63 -10.419 -11.374 -13.241 1.00 0.00 H new ATOM 0 HA ALA 1 63 -11.353 -9.040 -14.511 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -11.862 -10.560 -16.368 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -10.246 -10.862 -15.686 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -11.596 -11.955 -15.296 1.00 0.00 H new ATOM 872 N ARG 1 64 -13.852 -11.142 -14.306 1.00 0.00 N ATOM 873 CA ARG 1 64 -15.291 -11.237 -14.076 1.00 0.00 C ATOM 874 C ARG 1 64 -15.672 -12.631 -13.588 1.00 0.00 C ATOM 875 O ARG 1 64 -16.050 -13.490 -14.382 1.00 0.00 O ATOM 876 CB ARG 1 64 -16.057 -10.905 -15.359 1.00 0.00 C ATOM 877 CG ARG 1 64 -17.398 -10.236 -15.110 1.00 0.00 C ATOM 878 CD ARG 1 64 -17.226 -8.843 -14.526 1.00 0.00 C ATOM 879 NE ARG 1 64 -18.279 -8.517 -13.567 1.00 0.00 N ATOM 880 CZ ARG 1 64 -18.553 -7.280 -13.158 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -17.855 -6.251 -13.623 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -19.527 -7.072 -12.283 1.00 0.00 N ATOM 0 H ARG 1 64 -13.429 -11.986 -14.692 1.00 0.00 H new ATOM 0 HA ARG 1 64 -15.560 -10.515 -13.304 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -15.444 -10.252 -15.980 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -16.218 -11.823 -15.924 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -17.954 -10.173 -16.046 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -17.990 -10.847 -14.428 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -16.255 -8.773 -14.036 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -17.230 -8.109 -15.332 1.00 0.00 H new ATOM 0 HE ARG 1 64 -18.837 -9.282 -13.189 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -17.105 -6.406 -14.297 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -18.069 -5.305 -13.307 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -20.066 -7.860 -11.923 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -19.737 -6.124 -11.969 1.00 0.00 H new ATOM 896 N GLY 1 65 -15.583 -12.856 -12.285 1.00 0.00 N ATOM 897 CA GLY 1 65 -15.926 -14.156 -11.744 1.00 0.00 C ATOM 898 C GLY 1 65 -14.766 -14.798 -11.020 1.00 0.00 C ATOM 899 O GLY 1 65 -14.452 -14.435 -9.887 1.00 0.00 O ATOM 0 H GLY 1 65 -15.281 -12.167 -11.596 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -16.767 -14.052 -11.058 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -16.253 -14.809 -12.553 1.00 0.00 H new ATOM 903 N ASP 1 66 -14.120 -15.750 -11.683 1.00 0.00 N ATOM 904 CA ASP 1 66 -12.977 -16.440 -11.100 1.00 0.00 C ATOM 905 C ASP 1 66 -12.460 -17.546 -12.014 1.00 0.00 C ATOM 906 O ASP 1 66 -12.925 -18.684 -11.963 1.00 0.00 O ATOM 907 CB ASP 1 66 -13.337 -17.021 -9.730 1.00 0.00 C ATOM 908 CG ASP 1 66 -14.656 -17.768 -9.747 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -15.712 -17.106 -9.839 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -14.634 -19.014 -9.666 1.00 0.00 O ATOM 0 H ASP 1 66 -14.368 -16.061 -12.622 1.00 0.00 H new ATOM 0 HA ASP 1 66 -12.183 -15.704 -10.978 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -12.545 -17.696 -9.405 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -13.389 -16.214 -8.999 1.00 0.00 H new ATOM 915 N TRP 1 67 -11.483 -17.194 -12.838 1.00 0.00 N ATOM 916 CA TRP 1 67 -10.867 -18.138 -13.767 1.00 0.00 C ATOM 917 C TRP 1 67 -9.378 -18.247 -13.477 1.00 0.00 C ATOM 918 O TRP 1 67 -8.890 -19.269 -12.994 1.00 0.00 O ATOM 919 CB TRP 1 67 -11.073 -17.681 -15.216 1.00 0.00 C ATOM 920 CG TRP 1 67 -11.718 -16.334 -15.338 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -11.192 -15.126 -14.970 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -13.016 -16.061 -15.862 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -12.088 -14.126 -15.235 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -13.214 -14.673 -15.785 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -14.029 -16.859 -16.390 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -14.383 -14.065 -16.217 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -15.195 -16.255 -16.821 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -15.364 -14.868 -16.733 1.00 0.00 C ATOM 0 H TRP 1 67 -11.095 -16.252 -12.884 1.00 0.00 H new ATOM 0 HA TRP 1 67 -11.339 -19.112 -13.635 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -10.107 -17.658 -15.721 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -11.687 -18.416 -15.736 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -10.214 -14.983 -14.535 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -11.940 -13.134 -15.052 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -13.905 -17.930 -16.461 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -14.515 -12.995 -16.149 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -15.988 -16.862 -17.232 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -16.286 -14.423 -17.079 1.00 0.00 H new ATOM 939 N ASN 1 68 -8.676 -17.164 -13.766 1.00 0.00 N ATOM 940 CA ASN 1 68 -7.242 -17.076 -13.537 1.00 0.00 C ATOM 941 C ASN 1 68 -6.982 -16.291 -12.258 1.00 0.00 C ATOM 942 O ASN 1 68 -6.012 -16.541 -11.542 1.00 0.00 O ATOM 943 CB ASN 1 68 -6.550 -16.398 -14.725 1.00 0.00 C ATOM 944 CG ASN 1 68 -7.272 -16.639 -16.040 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -8.369 -15.918 -16.258 1.00 0.00 O flip ATOM 946 ND2 ASN 1 68 -6.849 -17.464 -16.850 1.00 0.00 N flip ATOM 0 H ASN 1 68 -9.084 -16.319 -14.167 1.00 0.00 H new ATOM 0 HA ASN 1 68 -6.835 -18.082 -13.433 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -6.488 -15.326 -14.540 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -5.527 -16.767 -14.804 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -6.003 -17.995 -16.642 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -7.344 -17.616 -17.729 1.00 0.00 H new ATOM 953 N ASP 1 69 -7.879 -15.349 -11.973 1.00 0.00 N ATOM 954 CA ASP 1 69 -7.787 -14.526 -10.775 1.00 0.00 C ATOM 955 C ASP 1 69 -6.527 -13.679 -10.759 1.00 0.00 C ATOM 956 O ASP 1 69 -5.466 -14.116 -11.196 1.00 0.00 O ATOM 957 CB ASP 1 69 -7.806 -15.405 -9.531 1.00 0.00 C ATOM 958 CG ASP 1 69 -9.211 -15.694 -9.041 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -9.921 -16.479 -9.705 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -9.602 -15.135 -7.995 1.00 0.00 O ATOM 0 H ASP 1 69 -8.684 -15.138 -12.563 1.00 0.00 H new ATOM 0 HA ASP 1 69 -8.649 -13.858 -10.780 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -7.301 -16.346 -9.748 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -7.242 -14.916 -8.737 1.00 0.00 H new ATOM 965 N ASP 1 70 -6.650 -12.474 -10.218 1.00 0.00 N ATOM 966 CA ASP 1 70 -5.520 -11.568 -10.106 1.00 0.00 C ATOM 967 C ASP 1 70 -4.746 -11.873 -8.835 1.00 0.00 C ATOM 968 O ASP 1 70 -5.327 -11.931 -7.753 1.00 0.00 O ATOM 969 CB ASP 1 70 -6.001 -10.120 -10.090 1.00 0.00 C ATOM 970 CG ASP 1 70 -4.874 -9.134 -10.295 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -3.858 -9.243 -9.579 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -5.007 -8.253 -11.170 1.00 0.00 O ATOM 0 H ASP 1 70 -7.525 -12.103 -9.849 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.867 -11.707 -10.968 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -6.748 -9.980 -10.871 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -6.491 -9.914 -9.139 1.00 0.00 H new ATOM 977 N TYR 1 71 -3.444 -12.098 -8.964 1.00 0.00 N ATOM 978 CA TYR 1 71 -2.634 -12.436 -7.804 1.00 0.00 C ATOM 979 C TYR 1 71 -1.326 -11.673 -7.736 1.00 0.00 C ATOM 980 O TYR 1 71 -0.657 -11.456 -8.746 1.00 0.00 O ATOM 981 CB TYR 1 71 -2.341 -13.924 -7.809 1.00 0.00 C ATOM 982 CG TYR 1 71 -3.471 -14.734 -7.256 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -3.669 -14.811 -5.894 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -4.344 -15.406 -8.093 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -4.707 -15.542 -5.365 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -5.390 -16.141 -7.581 1.00 0.00 C ATOM 987 CZ TYR 1 71 -5.570 -16.210 -6.212 1.00 0.00 C ATOM 988 OH TYR 1 71 -6.613 -16.942 -5.693 1.00 0.00 O ATOM 0 H TYR 1 71 -2.934 -12.053 -9.846 1.00 0.00 H new ATOM 0 HA TYR 1 71 -3.214 -12.151 -6.926 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -2.133 -14.246 -8.829 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -1.441 -14.116 -7.224 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -2.997 -14.288 -5.230 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -4.203 -15.353 -9.162 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -4.846 -15.593 -4.295 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -6.065 -16.660 -8.245 1.00 0.00 H new ATOM 0 HH TYR 1 71 -7.124 -17.347 -6.424 1.00 0.00 H new ATOM 998 N CYS 1 72 -0.962 -11.293 -6.517 1.00 0.00 N ATOM 999 CA CYS 1 72 0.275 -10.576 -6.275 1.00 0.00 C ATOM 1000 C CYS 1 72 1.471 -11.473 -6.568 1.00 0.00 C ATOM 1001 O CYS 1 72 1.329 -12.690 -6.688 1.00 0.00 O ATOM 1002 CB CYS 1 72 0.329 -10.096 -4.828 1.00 0.00 C ATOM 1003 SG CYS 1 72 1.544 -8.774 -4.539 1.00 0.00 S ATOM 0 H CYS 1 72 -1.513 -11.473 -5.678 1.00 0.00 H new ATOM 0 HA CYS 1 72 0.312 -9.712 -6.938 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -0.659 -9.739 -4.536 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 0.566 -10.942 -4.183 1.00 0.00 H new ATOM 1008 N THR 1 73 2.647 -10.870 -6.686 1.00 0.00 N ATOM 1009 CA THR 1 73 3.861 -11.623 -6.971 1.00 0.00 C ATOM 1010 C THR 1 73 4.908 -11.430 -5.874 1.00 0.00 C ATOM 1011 O THR 1 73 6.053 -11.860 -6.016 1.00 0.00 O ATOM 1012 CB THR 1 73 4.424 -11.201 -8.327 1.00 0.00 C ATOM 1013 OG1 THR 1 73 5.185 -10.011 -8.207 1.00 0.00 O ATOM 1014 CG2 THR 1 73 3.346 -10.957 -9.362 1.00 0.00 C ATOM 0 H THR 1 73 2.786 -9.864 -6.589 1.00 0.00 H new ATOM 0 HA THR 1 73 3.607 -12.683 -7.001 1.00 0.00 H new ATOM 0 HB THR 1 73 5.047 -12.032 -8.658 1.00 0.00 H new ATOM 0 HG1 THR 1 73 5.538 -9.759 -9.086 1.00 0.00 H new ATOM 0 HG21 THR 1 73 3.807 -10.660 -10.304 1.00 0.00 H new ATOM 0 HG22 THR 1 73 2.771 -11.871 -9.511 1.00 0.00 H new ATOM 0 HG23 THR 1 73 2.683 -10.164 -9.017 1.00 0.00 H new ATOM 1022 N GLY 1 74 4.509 -10.789 -4.777 1.00 0.00 N ATOM 1023 CA GLY 1 74 5.423 -10.560 -3.671 1.00 0.00 C ATOM 1024 C GLY 1 74 6.709 -9.882 -4.100 1.00 0.00 C ATOM 1025 O GLY 1 74 7.741 -10.026 -3.443 1.00 0.00 O ATOM 0 H GLY 1 74 3.567 -10.424 -4.635 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 4.928 -9.946 -2.918 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 5.661 -11.513 -3.199 1.00 0.00 H new ATOM 1029 N LYS 1 75 6.652 -9.143 -5.202 1.00 0.00 N ATOM 1030 CA LYS 1 75 7.828 -8.446 -5.709 1.00 0.00 C ATOM 1031 C LYS 1 75 7.450 -7.122 -6.370 1.00 0.00 C ATOM 1032 O LYS 1 75 8.238 -6.554 -7.126 1.00 0.00 O ATOM 1033 CB LYS 1 75 8.576 -9.330 -6.707 1.00 0.00 C ATOM 1034 CG LYS 1 75 9.058 -10.643 -6.113 1.00 0.00 C ATOM 1035 CD LYS 1 75 10.136 -11.280 -6.974 1.00 0.00 C ATOM 1036 CE LYS 1 75 9.939 -12.783 -7.092 1.00 0.00 C ATOM 1037 NZ LYS 1 75 8.964 -13.132 -8.162 1.00 0.00 N ATOM 0 H LYS 1 75 5.808 -9.011 -5.759 1.00 0.00 H new ATOM 0 HA LYS 1 75 8.477 -8.228 -4.861 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 7.923 -9.542 -7.553 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 9.433 -8.780 -7.096 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 9.447 -10.469 -5.110 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 8.217 -11.329 -6.014 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 10.122 -10.831 -7.967 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 11.116 -11.073 -6.544 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 10.896 -13.259 -7.304 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 9.589 -13.179 -6.139 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 8.857 -14.165 -8.211 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 8.043 -12.699 -7.947 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 9.310 -12.776 -9.076 1.00 0.00 H new ATOM 1051 N SER 1 76 6.247 -6.632 -6.084 1.00 0.00 N ATOM 1052 CA SER 1 76 5.788 -5.374 -6.661 1.00 0.00 C ATOM 1053 C SER 1 76 4.527 -4.871 -5.964 1.00 0.00 C ATOM 1054 O SER 1 76 3.859 -5.617 -5.248 1.00 0.00 O ATOM 1055 CB SER 1 76 5.521 -5.544 -8.157 1.00 0.00 C ATOM 1056 OG SER 1 76 4.518 -6.517 -8.390 1.00 0.00 O ATOM 0 H SER 1 76 5.577 -7.083 -5.461 1.00 0.00 H new ATOM 0 HA SER 1 76 6.576 -4.634 -6.516 1.00 0.00 H new ATOM 0 HB2 SER 1 76 5.213 -4.590 -8.585 1.00 0.00 H new ATOM 0 HB3 SER 1 76 6.441 -5.838 -8.662 1.00 0.00 H new ATOM 0 HG SER 1 76 4.365 -6.605 -9.354 1.00 0.00 H new ATOM 1062 N SER 1 77 4.209 -3.600 -6.187 1.00 0.00 N ATOM 1063 CA SER 1 77 3.027 -2.983 -5.593 1.00 0.00 C ATOM 1064 C SER 1 77 1.811 -3.136 -6.503 1.00 0.00 C ATOM 1065 O SER 1 77 0.773 -2.515 -6.274 1.00 0.00 O ATOM 1066 CB SER 1 77 3.286 -1.500 -5.322 1.00 0.00 C ATOM 1067 OG SER 1 77 3.800 -0.853 -6.473 1.00 0.00 O ATOM 0 H SER 1 77 4.756 -2.974 -6.778 1.00 0.00 H new ATOM 0 HA SER 1 77 2.819 -3.492 -4.652 1.00 0.00 H new ATOM 0 HB2 SER 1 77 2.359 -1.016 -5.013 1.00 0.00 H new ATOM 0 HB3 SER 1 77 3.991 -1.396 -4.497 1.00 0.00 H new ATOM 0 HG SER 1 77 3.955 0.094 -6.274 1.00 0.00 H new ATOM 1073 N ASP 1 78 1.944 -3.964 -7.535 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.853 -4.188 -8.474 1.00 0.00 C ATOM 1075 C ASP 1 78 0.426 -5.652 -8.486 1.00 0.00 C ATOM 1076 O ASP 1 78 1.237 -6.552 -8.266 1.00 0.00 O ATOM 1077 CB ASP 1 78 1.267 -3.755 -9.881 1.00 0.00 C ATOM 1078 CG ASP 1 78 1.069 -2.269 -10.111 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 1.929 -1.480 -9.666 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 0.055 -1.895 -10.736 1.00 0.00 O ATOM 0 H ASP 1 78 2.794 -4.489 -7.741 1.00 0.00 H new ATOM 0 HA ASP 1 78 0.004 -3.587 -8.149 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 2.315 -4.008 -10.042 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 0.687 -4.314 -10.615 1.00 0.00 H new ATOM 1085 N CYS 1 79 -0.855 -5.876 -8.746 1.00 0.00 N ATOM 1086 CA CYS 1 79 -1.415 -7.221 -8.793 1.00 0.00 C ATOM 1087 C CYS 1 79 -1.933 -7.541 -10.196 1.00 0.00 C ATOM 1088 O CYS 1 79 -2.973 -7.029 -10.607 1.00 0.00 O ATOM 1089 CB CYS 1 79 -2.558 -7.338 -7.784 1.00 0.00 C ATOM 1090 SG CYS 1 79 -2.644 -8.947 -6.942 1.00 0.00 S ATOM 0 H CYS 1 79 -1.532 -5.136 -8.929 1.00 0.00 H new ATOM 0 HA CYS 1 79 -0.630 -7.934 -8.541 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -2.449 -6.554 -7.035 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.502 -7.158 -8.298 1.00 0.00 H new ATOM 1095 N PRO 1 80 -1.217 -8.390 -10.956 1.00 0.00 N ATOM 1096 CA PRO 1 80 -1.621 -8.764 -12.318 1.00 0.00 C ATOM 1097 C PRO 1 80 -2.842 -9.685 -12.343 1.00 0.00 C ATOM 1098 O PRO 1 80 -2.899 -10.676 -11.615 1.00 0.00 O ATOM 1099 CB PRO 1 80 -0.393 -9.496 -12.860 1.00 0.00 C ATOM 1100 CG PRO 1 80 0.278 -10.049 -11.651 1.00 0.00 C ATOM 1101 CD PRO 1 80 0.043 -9.045 -10.555 1.00 0.00 C ATOM 0 HA PRO 1 80 -1.916 -7.894 -12.904 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 -0.677 -10.288 -13.553 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 0.265 -8.818 -13.403 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -0.135 -11.022 -11.385 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 1.344 -10.193 -11.827 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 -0.047 -9.527 -9.581 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 0.862 -8.330 -10.483 1.00 0.00 H new ATOM 1109 N TRP 1 81 -3.814 -9.350 -13.193 1.00 0.00 N ATOM 1110 CA TRP 1 81 -5.044 -10.147 -13.328 1.00 0.00 C ATOM 1111 C TRP 1 81 -4.728 -11.635 -13.419 1.00 0.00 C ATOM 1112 O TRP 1 81 -5.537 -12.481 -13.039 1.00 0.00 O ATOM 1113 CB TRP 1 81 -5.837 -9.757 -14.586 1.00 0.00 C ATOM 1114 CG TRP 1 81 -5.445 -8.453 -15.205 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 -4.391 -8.218 -16.041 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 -6.116 -7.208 -15.043 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 -4.368 -6.893 -16.404 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 -5.420 -6.253 -15.802 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -7.240 -6.813 -14.324 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 -5.817 -4.923 -15.863 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 -7.637 -5.491 -14.383 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 -6.926 -4.558 -15.149 1.00 0.00 C ATOM 0 H TRP 1 81 -3.777 -8.532 -13.801 1.00 0.00 H new ATOM 0 HA TRP 1 81 -5.640 -9.942 -12.439 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -5.718 -10.545 -15.330 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -6.896 -9.716 -14.331 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 -3.681 -8.963 -16.368 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 -3.681 -6.458 -17.020 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -7.792 -7.527 -13.731 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 -5.270 -4.203 -16.453 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 -8.508 -5.172 -13.830 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 -7.259 -3.531 -15.177 1.00 0.00 H new ATOM 1133 N ASN 1 82 -3.559 -11.933 -13.966 1.00 0.00 N ATOM 1134 CA ASN 1 82 -3.112 -13.308 -14.169 1.00 0.00 C ATOM 1135 C ASN 1 82 -3.755 -13.873 -15.430 1.00 0.00 C ATOM 1136 O ASN 1 82 -4.053 -15.065 -15.514 1.00 0.00 O ATOM 1137 CB ASN 1 82 -3.452 -14.182 -12.961 1.00 0.00 C ATOM 1138 CG ASN 1 82 -2.377 -15.211 -12.664 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -2.058 -15.474 -11.504 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -1.811 -15.799 -13.712 1.00 0.00 N ATOM 0 H ASN 1 82 -2.891 -11.230 -14.283 1.00 0.00 H new ATOM 0 HA ASN 1 82 -2.028 -13.307 -14.285 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -3.594 -13.547 -12.086 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -4.398 -14.692 -13.141 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -1.082 -16.498 -13.572 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -2.106 -15.551 -14.657 1.00 0.00 H new ATOM 1147 N HIS 1 83 -3.972 -12.994 -16.405 1.00 0.00 N ATOM 1148 CA HIS 1 83 -4.589 -13.374 -17.670 1.00 0.00 C ATOM 1149 C HIS 1 83 -3.547 -13.472 -18.779 1.00 0.00 C ATOM 1150 O HIS 1 83 -3.913 -13.887 -19.899 1.00 0.00 O ATOM 1151 CB HIS 1 83 -5.665 -12.353 -18.048 1.00 0.00 C ATOM 1152 CG HIS 1 83 -6.726 -12.206 -17.004 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -7.224 -13.102 -16.120 1.00 0.00 N flip ATOM 1154 CD2 HIS 1 83 -7.391 -11.023 -16.764 1.00 0.00 C flip ATOM 1155 CE1 HIS 1 83 -8.170 -12.450 -15.369 1.00 0.00 C flip ATOM 1156 NE2 HIS 1 83 -8.250 -11.197 -15.776 1.00 0.00 N flip ATOM 1157 OXT HIS 1 83 -2.373 -13.132 -18.519 1.00 0.00 O ATOM 0 H HIS 1 83 -3.727 -12.006 -16.340 1.00 0.00 H new ATOM 0 HA HIS 1 83 -5.048 -14.355 -17.549 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 -5.195 -11.385 -18.219 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 -6.128 -12.653 -18.988 1.00 0.00 H new ATOM 0 HD1 HIS 1 83 -6.948 -14.080 -16.029 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -7.234 -10.099 -17.300 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -8.754 -12.891 -14.574 1.00 0.00 H new TER 1166 HIS 1 83