USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=13 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 : amide:sc= -2.58! K(o=-6.9!,f=-0.8) USER MOD Set 1.2: 1 83 HIS : no HD1:sc= -4.36 K(o=-6.9,f=-0.8) USER MOD Set 2.1: 1 20 SER OG : rot 180:sc= 0 USER MOD Set 2.2: 1 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 1 SER N :NH3+ 136:sc= 0.0396 (180deg=0) USER MOD Single : 1 1 SER OG : rot 180:sc= 0 USER MOD Single : 1 7 ASN : amide:sc= -2.28 K(o=-2.3,f=-2.9) USER MOD Single : 1 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 12 GLN : amide:sc= -2.52 K(o=-2.5,f=-4.8!) USER MOD Single : 1 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 30 ASN : amide:sc= -5.83! K(o=-5.8!,f=-0.8) USER MOD Single : 1 33 THR OG1 : rot -32:sc= 0.0906 USER MOD Single : 1 35 LYS NZ :NH3+ 146:sc= -0.19 (180deg=-1.56!) USER MOD Single : 1 37 THR OG1 : rot -166:sc= 1.11 USER MOD Single : 1 40 SER OG : rot -139:sc= 0.241 USER MOD Single : 1 41 GLN : amide:sc= -0.173 K(o=-0.17,f=-1.1) USER MOD Single : 1 43 ASN : amide:sc= -2.39 K(o=-2.4,f=-1.8) 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+ 180:sc= 0 (180deg=0) USER MOD Single : 1 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 58 THR OG1 : rot 91:sc= 1.33 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+ 180:sc= 0 (180deg=0) USER MOD Single : 1 76 SER OG : rot 180:sc= 0 USER MOD Single : 1 77 SER OG : rot -61:sc= 0.245 USER MOD Single : 1 82 ASN : amide:sc= -1.87 K(o=-1.9,f=-6.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER 1 1 11.798 -3.952 -11.457 1.00 0.00 N ATOM 2 CA SER 1 1 12.408 -2.624 -11.727 1.00 0.00 C ATOM 3 C SER 1 1 13.233 -2.143 -10.536 1.00 0.00 C ATOM 4 O SER 1 1 12.940 -2.483 -9.389 1.00 0.00 O ATOM 5 CB SER 1 1 11.288 -1.626 -12.029 1.00 0.00 C ATOM 6 OG SER 1 1 11.009 -1.578 -13.418 1.00 0.00 O ATOM 0 H1 SER 1 1 10.808 -3.950 -11.775 1.00 0.00 H new ATOM 0 H2 SER 1 1 12.326 -4.687 -11.970 1.00 0.00 H new ATOM 0 H3 SER 1 1 11.833 -4.149 -10.436 1.00 0.00 H new ATOM 0 HA SER 1 1 13.080 -2.706 -12.581 1.00 0.00 H new ATOM 0 HB2 SER 1 1 10.388 -1.909 -11.484 1.00 0.00 H new ATOM 0 HB3 SER 1 1 11.575 -0.635 -11.678 1.00 0.00 H new ATOM 0 HG SER 1 1 10.289 -0.935 -13.585 1.00 0.00 H new ATOM 14 N PRO 1 2 14.282 -1.343 -10.793 1.00 0.00 N ATOM 15 CA PRO 1 2 15.151 -0.817 -9.736 1.00 0.00 C ATOM 16 C PRO 1 2 14.468 0.272 -8.912 1.00 0.00 C ATOM 17 O PRO 1 2 13.395 0.755 -9.274 1.00 0.00 O ATOM 18 CB PRO 1 2 16.335 -0.237 -10.511 1.00 0.00 C ATOM 19 CG PRO 1 2 15.773 0.127 -11.841 1.00 0.00 C ATOM 20 CD PRO 1 2 14.703 -0.890 -12.133 1.00 0.00 C ATOM 0 HA PRO 1 2 15.430 -1.586 -9.015 1.00 0.00 H new ATOM 0 HB2 PRO 1 2 16.751 0.634 -10.005 1.00 0.00 H new ATOM 0 HB3 PRO 1 2 17.141 -0.965 -10.607 1.00 0.00 H new ATOM 0 HG2 PRO 1 2 15.359 1.135 -11.827 1.00 0.00 H new ATOM 0 HG3 PRO 1 2 16.546 0.111 -12.609 1.00 0.00 H new ATOM 0 HD2 PRO 1 2 13.873 -0.451 -12.687 1.00 0.00 H new ATOM 0 HD3 PRO 1 2 15.087 -1.715 -12.733 1.00 0.00 H new ATOM 28 N PRO 1 3 15.085 0.674 -7.787 1.00 0.00 N ATOM 29 CA PRO 1 3 14.549 1.702 -6.906 1.00 0.00 C ATOM 30 C PRO 1 3 14.955 3.102 -7.351 1.00 0.00 C ATOM 31 O PRO 1 3 15.946 3.653 -6.871 1.00 0.00 O ATOM 32 CB PRO 1 3 15.179 1.369 -5.541 1.00 0.00 C ATOM 33 CG PRO 1 3 16.154 0.254 -5.786 1.00 0.00 C ATOM 34 CD PRO 1 3 16.354 0.167 -7.273 1.00 0.00 C ATOM 0 HA PRO 1 3 13.459 1.706 -6.895 1.00 0.00 H new ATOM 0 HB2 PRO 1 3 15.683 2.240 -5.122 1.00 0.00 H new ATOM 0 HB3 PRO 1 3 14.416 1.067 -4.824 1.00 0.00 H new ATOM 0 HG2 PRO 1 3 17.099 0.450 -5.280 1.00 0.00 H new ATOM 0 HG3 PRO 1 3 15.771 -0.687 -5.392 1.00 0.00 H new ATOM 0 HD2 PRO 1 3 17.198 0.771 -7.606 1.00 0.00 H new ATOM 0 HD3 PRO 1 3 16.545 -0.855 -7.599 1.00 0.00 H new ATOM 42 N VAL 1 4 14.187 3.674 -8.274 1.00 0.00 N ATOM 43 CA VAL 1 4 14.472 5.011 -8.781 1.00 0.00 C ATOM 44 C VAL 1 4 13.313 5.965 -8.523 1.00 0.00 C ATOM 45 O VAL 1 4 12.226 5.801 -9.077 1.00 0.00 O ATOM 46 CB VAL 1 4 14.783 4.990 -10.291 1.00 0.00 C ATOM 47 CG1 VAL 1 4 16.281 4.881 -10.525 1.00 0.00 C ATOM 48 CG2 VAL 1 4 14.047 3.848 -10.977 1.00 0.00 C ATOM 0 H VAL 1 4 13.364 3.233 -8.685 1.00 0.00 H new ATOM 0 HA VAL 1 4 15.351 5.365 -8.243 1.00 0.00 H new ATOM 0 HB VAL 1 4 14.435 5.927 -10.725 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 16.482 4.868 -11.596 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 16.783 5.736 -10.072 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 16.654 3.961 -10.074 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 14.281 3.852 -12.042 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 14.359 2.899 -10.540 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 12.973 3.974 -10.841 1.00 0.00 H new ATOM 58 N CYS 1 5 13.559 6.976 -7.696 1.00 0.00 N ATOM 59 CA CYS 1 5 12.539 7.968 -7.388 1.00 0.00 C ATOM 60 C CYS 1 5 12.483 8.981 -8.520 1.00 0.00 C ATOM 61 O CYS 1 5 13.387 9.802 -8.678 1.00 0.00 O ATOM 62 CB CYS 1 5 12.850 8.671 -6.062 1.00 0.00 C ATOM 63 SG CYS 1 5 11.638 8.351 -4.741 1.00 0.00 S ATOM 0 H CYS 1 5 14.453 7.128 -7.229 1.00 0.00 H new ATOM 0 HA CYS 1 5 11.573 7.474 -7.286 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 13.835 8.355 -5.719 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 12.903 9.745 -6.238 1.00 0.00 H new ATOM 68 N GLY 1 6 11.439 8.892 -9.327 1.00 0.00 N ATOM 69 CA GLY 1 6 11.307 9.778 -10.462 1.00 0.00 C ATOM 70 C GLY 1 6 11.490 9.020 -11.760 1.00 0.00 C ATOM 71 O GLY 1 6 11.940 9.573 -12.763 1.00 0.00 O ATOM 0 H GLY 1 6 10.679 8.221 -9.216 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 10.325 10.251 -10.447 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 12.047 10.576 -10.394 1.00 0.00 H new ATOM 75 N ASN 1 7 11.136 7.739 -11.725 1.00 0.00 N ATOM 76 CA ASN 1 7 11.250 6.864 -12.881 1.00 0.00 C ATOM 77 C ASN 1 7 9.918 6.176 -13.149 1.00 0.00 C ATOM 78 O ASN 1 7 9.810 5.327 -14.033 1.00 0.00 O ATOM 79 CB ASN 1 7 12.336 5.815 -12.634 1.00 0.00 C ATOM 80 CG ASN 1 7 13.707 6.286 -13.078 1.00 0.00 C ATOM 81 OD1 ASN 1 7 14.195 7.324 -12.630 1.00 0.00 O ATOM 82 ND2 ASN 1 7 14.337 5.523 -13.964 1.00 0.00 N ATOM 0 H ASN 1 7 10.763 7.281 -10.894 1.00 0.00 H new ATOM 0 HA ASN 1 7 11.521 7.462 -13.751 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 12.365 5.570 -11.572 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 12.080 4.899 -13.166 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 15.263 5.789 -14.300 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 13.895 4.671 -14.309 1.00 0.00 H new ATOM 89 N LYS 1 8 8.908 6.546 -12.365 1.00 0.00 N ATOM 90 CA LYS 1 8 7.578 5.973 -12.490 1.00 0.00 C ATOM 91 C LYS 1 8 7.538 4.561 -11.913 1.00 0.00 C ATOM 92 O LYS 1 8 6.610 3.798 -12.181 1.00 0.00 O ATOM 93 CB LYS 1 8 7.121 5.959 -13.952 1.00 0.00 C ATOM 94 CG LYS 1 8 7.380 7.265 -14.685 1.00 0.00 C ATOM 95 CD LYS 1 8 7.340 7.074 -16.193 1.00 0.00 C ATOM 96 CE LYS 1 8 7.438 8.403 -16.925 1.00 0.00 C ATOM 97 NZ LYS 1 8 8.075 8.254 -18.263 1.00 0.00 N ATOM 0 H LYS 1 8 8.992 7.248 -11.630 1.00 0.00 H new ATOM 0 HA LYS 1 8 6.892 6.600 -11.921 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 7.632 5.151 -14.476 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 6.054 5.738 -13.988 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 6.634 8.003 -14.391 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 8.353 7.661 -14.393 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 8.161 6.426 -16.501 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 6.415 6.571 -16.473 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 6.441 8.827 -17.043 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 8.015 9.107 -16.325 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 8.123 9.182 -18.730 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 9.036 7.873 -18.149 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 7.511 7.602 -18.845 1.00 0.00 H new ATOM 111 N ILE 1 9 8.547 4.219 -11.115 1.00 0.00 N ATOM 112 CA ILE 1 9 8.618 2.903 -10.497 1.00 0.00 C ATOM 113 C ILE 1 9 8.604 3.018 -8.985 1.00 0.00 C ATOM 114 O ILE 1 9 9.614 3.378 -8.383 1.00 0.00 O ATOM 115 CB ILE 1 9 9.895 2.129 -10.901 1.00 0.00 C ATOM 116 CG1 ILE 1 9 10.740 2.934 -11.890 1.00 0.00 C ATOM 117 CG2 ILE 1 9 9.536 0.770 -11.478 1.00 0.00 C ATOM 118 CD1 ILE 1 9 12.003 2.221 -12.316 1.00 0.00 C ATOM 0 H ILE 1 9 9.325 4.837 -10.883 1.00 0.00 H new ATOM 0 HA ILE 1 9 7.744 2.357 -10.852 1.00 0.00 H new ATOM 0 HB ILE 1 9 10.493 1.974 -10.003 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 10.141 3.156 -12.773 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 11.005 3.889 -11.437 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 10.447 0.241 -11.756 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 8.993 0.190 -10.732 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 8.910 0.903 -12.360 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 12.555 2.847 -13.017 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 12.622 2.023 -11.441 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 11.744 1.278 -12.798 1.00 0.00 H new ATOM 130 N LEU 1 10 7.473 2.694 -8.371 1.00 0.00 N ATOM 131 CA LEU 1 10 7.366 2.747 -6.920 1.00 0.00 C ATOM 132 C LEU 1 10 8.284 1.698 -6.308 1.00 0.00 C ATOM 133 O LEU 1 10 7.826 0.711 -5.731 1.00 0.00 O ATOM 134 CB LEU 1 10 5.920 2.514 -6.474 1.00 0.00 C ATOM 135 CG LEU 1 10 5.169 1.428 -7.247 1.00 0.00 C ATOM 136 CD1 LEU 1 10 4.417 0.515 -6.292 1.00 0.00 C ATOM 137 CD2 LEU 1 10 4.214 2.054 -8.252 1.00 0.00 C ATOM 0 H LEU 1 10 6.624 2.394 -8.851 1.00 0.00 H new ATOM 0 HA LEU 1 10 7.668 3.737 -6.578 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 5.920 2.251 -5.416 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 5.371 3.451 -6.569 1.00 0.00 H new ATOM 0 HG LEU 1 10 5.897 0.828 -7.792 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 3.889 -0.251 -6.860 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 5.123 0.039 -5.611 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 3.699 1.101 -5.718 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 3.688 1.267 -8.793 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 3.491 2.679 -7.727 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 4.777 2.665 -8.957 1.00 0.00 H new ATOM 149 N GLU 1 11 9.587 1.912 -6.458 1.00 0.00 N ATOM 150 CA GLU 1 11 10.580 0.984 -5.943 1.00 0.00 C ATOM 151 C GLU 1 11 11.555 1.696 -5.018 1.00 0.00 C ATOM 152 O GLU 1 11 11.909 1.175 -3.961 1.00 0.00 O ATOM 153 CB GLU 1 11 11.336 0.325 -7.099 1.00 0.00 C ATOM 154 CG GLU 1 11 12.394 -0.667 -6.647 1.00 0.00 C ATOM 155 CD GLU 1 11 11.812 -1.816 -5.847 1.00 0.00 C ATOM 156 OE1 GLU 1 11 11.040 -2.611 -6.424 1.00 0.00 O ATOM 157 OE2 GLU 1 11 12.128 -1.922 -4.643 1.00 0.00 O ATOM 0 H GLU 1 11 9.978 2.724 -6.935 1.00 0.00 H new ATOM 0 HA GLU 1 11 10.064 0.213 -5.371 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 10.622 -0.187 -7.744 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 11.810 1.100 -7.701 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 12.912 -1.063 -7.520 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 13.138 -0.149 -6.043 1.00 0.00 H new ATOM 164 N GLN 1 12 11.989 2.888 -5.422 1.00 0.00 N ATOM 165 CA GLN 1 12 12.928 3.668 -4.617 1.00 0.00 C ATOM 166 C GLN 1 12 12.297 4.113 -3.295 1.00 0.00 C ATOM 167 O GLN 1 12 12.128 5.308 -3.050 1.00 0.00 O ATOM 168 CB GLN 1 12 13.403 4.888 -5.404 1.00 0.00 C ATOM 169 CG GLN 1 12 14.821 5.316 -5.066 1.00 0.00 C ATOM 170 CD GLN 1 12 14.880 6.255 -3.877 1.00 0.00 C ATOM 171 OE1 GLN 1 12 14.531 5.879 -2.757 1.00 0.00 O ATOM 172 NE2 GLN 1 12 15.324 7.484 -4.114 1.00 0.00 N ATOM 0 H GLN 1 12 11.708 3.333 -6.296 1.00 0.00 H new ATOM 0 HA GLN 1 12 13.781 3.030 -4.385 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 13.343 4.668 -6.470 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 12.726 5.720 -5.212 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 15.423 4.432 -4.856 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 15.265 5.805 -5.933 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 15.603 7.752 -5.058 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 15.387 8.159 -3.352 1.00 0.00 H new ATOM 181 N GLY 1 13 11.963 3.140 -2.443 1.00 0.00 N ATOM 182 CA GLY 1 13 11.364 3.430 -1.145 1.00 0.00 C ATOM 183 C GLY 1 13 10.404 4.606 -1.170 1.00 0.00 C ATOM 184 O GLY 1 13 10.353 5.392 -0.224 1.00 0.00 O ATOM 0 H GLY 1 13 12.098 2.147 -2.632 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 10.833 2.545 -0.793 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 12.157 3.634 -0.425 1.00 0.00 H new ATOM 188 N GLU 1 14 9.647 4.734 -2.254 1.00 0.00 N ATOM 189 CA GLU 1 14 8.696 5.832 -2.389 1.00 0.00 C ATOM 190 C GLU 1 14 7.282 5.409 -1.996 1.00 0.00 C ATOM 191 O GLU 1 14 6.641 6.055 -1.169 1.00 0.00 O ATOM 192 CB GLU 1 14 8.699 6.378 -3.820 1.00 0.00 C ATOM 193 CG GLU 1 14 8.535 5.315 -4.895 1.00 0.00 C ATOM 194 CD GLU 1 14 9.483 5.516 -6.060 1.00 0.00 C ATOM 195 OE1 GLU 1 14 10.668 5.817 -5.815 1.00 0.00 O ATOM 196 OE2 GLU 1 14 9.040 5.374 -7.218 1.00 0.00 O ATOM 0 H GLU 1 14 9.673 4.095 -3.048 1.00 0.00 H new ATOM 0 HA GLU 1 14 9.014 6.619 -1.705 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 7.895 7.107 -3.920 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 9.635 6.910 -3.991 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 8.706 4.331 -4.458 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 7.508 5.328 -5.260 1.00 0.00 H new ATOM 203 N ASP 1 15 6.796 4.333 -2.604 1.00 0.00 N ATOM 204 CA ASP 1 15 5.450 3.832 -2.330 1.00 0.00 C ATOM 205 C ASP 1 15 4.393 4.736 -2.966 1.00 0.00 C ATOM 206 O ASP 1 15 3.201 4.598 -2.692 1.00 0.00 O ATOM 207 CB ASP 1 15 5.207 3.727 -0.821 1.00 0.00 C ATOM 208 CG ASP 1 15 6.381 3.109 -0.086 1.00 0.00 C ATOM 209 OD1 ASP 1 15 7.180 2.401 -0.733 1.00 0.00 O ATOM 210 OD2 ASP 1 15 6.501 3.334 1.137 1.00 0.00 O ATOM 0 H ASP 1 15 7.314 3.788 -3.293 1.00 0.00 H new ATOM 0 HA ASP 1 15 5.369 2.838 -2.769 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 5.012 4.721 -0.418 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 4.314 3.129 -0.641 1.00 0.00 H new ATOM 215 N CYS 1 16 4.842 5.655 -3.821 1.00 0.00 N ATOM 216 CA CYS 1 16 3.952 6.586 -4.514 1.00 0.00 C ATOM 217 C CYS 1 16 4.757 7.713 -5.145 1.00 0.00 C ATOM 218 O CYS 1 16 4.835 8.816 -4.603 1.00 0.00 O ATOM 219 CB CYS 1 16 2.901 7.165 -3.563 1.00 0.00 C ATOM 220 SG CYS 1 16 1.236 6.439 -3.743 1.00 0.00 S ATOM 0 H CYS 1 16 5.828 5.775 -4.052 1.00 0.00 H new ATOM 0 HA CYS 1 16 3.433 6.032 -5.296 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 3.238 7.019 -2.537 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 2.834 8.241 -3.727 1.00 0.00 H new ATOM 225 N ASP 1 17 5.358 7.427 -6.294 1.00 0.00 N ATOM 226 CA ASP 1 17 6.161 8.414 -7.000 1.00 0.00 C ATOM 227 C ASP 1 17 5.854 8.404 -8.493 1.00 0.00 C ATOM 228 O ASP 1 17 5.526 7.366 -9.069 1.00 0.00 O ATOM 229 CB ASP 1 17 7.650 8.141 -6.774 1.00 0.00 C ATOM 230 CG ASP 1 17 8.545 9.032 -7.617 1.00 0.00 C ATOM 231 OD1 ASP 1 17 8.849 10.159 -7.176 1.00 0.00 O ATOM 232 OD2 ASP 1 17 8.940 8.600 -8.721 1.00 0.00 O ATOM 0 H ASP 1 17 5.303 6.519 -6.755 1.00 0.00 H new ATOM 0 HA ASP 1 17 5.911 9.398 -6.605 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 7.886 8.289 -5.720 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 7.863 7.097 -7.005 1.00 0.00 H new ATOM 237 N CYS 1 18 5.979 9.570 -9.111 1.00 0.00 N ATOM 238 CA CYS 1 18 5.735 9.718 -10.537 1.00 0.00 C ATOM 239 C CYS 1 18 7.047 9.964 -11.272 1.00 0.00 C ATOM 240 O CYS 1 18 8.029 10.406 -10.675 1.00 0.00 O ATOM 241 CB CYS 1 18 4.782 10.882 -10.798 1.00 0.00 C ATOM 242 SG CYS 1 18 3.113 10.661 -10.099 1.00 0.00 S ATOM 0 H CYS 1 18 6.250 10.434 -8.641 1.00 0.00 H new ATOM 0 HA CYS 1 18 5.282 8.797 -10.904 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 5.218 11.792 -10.385 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 4.695 11.030 -11.874 1.00 0.00 H new ATOM 247 N GLY 1 19 7.059 9.687 -12.569 1.00 0.00 N ATOM 248 CA GLY 1 19 8.260 9.899 -13.356 1.00 0.00 C ATOM 249 C GLY 1 19 8.741 11.336 -13.282 1.00 0.00 C ATOM 250 O GLY 1 19 9.925 11.593 -13.064 1.00 0.00 O ATOM 0 H GLY 1 19 6.262 9.321 -13.090 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 9.048 9.234 -13.002 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 8.064 9.635 -14.395 1.00 0.00 H new ATOM 254 N SER 1 20 7.815 12.274 -13.458 1.00 0.00 N ATOM 255 CA SER 1 20 8.140 13.694 -13.404 1.00 0.00 C ATOM 256 C SER 1 20 7.060 14.469 -12.646 1.00 0.00 C ATOM 257 O SER 1 20 5.876 14.363 -12.966 1.00 0.00 O ATOM 258 CB SER 1 20 8.290 14.258 -14.818 1.00 0.00 C ATOM 259 OG SER 1 20 8.283 15.675 -14.806 1.00 0.00 O ATOM 0 H SER 1 20 6.831 12.075 -13.640 1.00 0.00 H new ATOM 0 HA SER 1 20 9.086 13.807 -12.874 1.00 0.00 H new ATOM 0 HB2 SER 1 20 9.220 13.900 -15.259 1.00 0.00 H new ATOM 0 HB3 SER 1 20 7.478 13.893 -15.447 1.00 0.00 H new ATOM 0 HG SER 1 20 8.382 16.010 -15.722 1.00 0.00 H new ATOM 265 N PRO 1 21 7.450 15.261 -11.628 1.00 0.00 N ATOM 266 CA PRO 1 21 6.501 16.048 -10.833 1.00 0.00 C ATOM 267 C PRO 1 21 5.489 16.798 -11.696 1.00 0.00 C ATOM 268 O PRO 1 21 4.373 17.075 -11.258 1.00 0.00 O ATOM 269 CB PRO 1 21 7.403 17.033 -10.092 1.00 0.00 C ATOM 270 CG PRO 1 21 8.701 16.319 -9.948 1.00 0.00 C ATOM 271 CD PRO 1 21 8.841 15.449 -11.170 1.00 0.00 C ATOM 0 HA PRO 1 21 5.897 15.418 -10.180 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 7.521 17.961 -10.652 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 6.986 17.298 -9.120 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 9.528 17.026 -9.877 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 8.716 15.718 -9.039 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 9.453 15.928 -11.934 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 9.316 14.497 -10.932 1.00 0.00 H new ATOM 279 N ALA 1 22 5.885 17.121 -12.923 1.00 0.00 N ATOM 280 CA ALA 1 22 5.011 17.837 -13.844 1.00 0.00 C ATOM 281 C ALA 1 22 4.100 16.870 -14.591 1.00 0.00 C ATOM 282 O ALA 1 22 2.984 17.222 -14.974 1.00 0.00 O ATOM 283 CB ALA 1 22 5.835 18.656 -14.826 1.00 0.00 C ATOM 0 H ALA 1 22 6.805 16.898 -13.302 1.00 0.00 H new ATOM 0 HA ALA 1 22 4.384 18.514 -13.263 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 5.169 19.185 -15.507 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 6.442 19.377 -14.279 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 6.486 17.993 -15.396 1.00 0.00 H new ATOM 289 N ASN 1 23 4.582 15.649 -14.791 1.00 0.00 N ATOM 290 CA ASN 1 23 3.812 14.625 -15.486 1.00 0.00 C ATOM 291 C ASN 1 23 3.316 13.564 -14.509 1.00 0.00 C ATOM 292 O ASN 1 23 3.019 12.436 -14.900 1.00 0.00 O ATOM 293 CB ASN 1 23 4.660 13.973 -16.580 1.00 0.00 C ATOM 294 CG ASN 1 23 4.942 14.916 -17.733 1.00 0.00 C ATOM 295 OD1 ASN 1 23 4.119 15.077 -18.634 1.00 0.00 O ATOM 296 ND2 ASN 1 23 6.111 15.546 -17.709 1.00 0.00 N ATOM 0 H ASN 1 23 5.505 15.344 -14.481 1.00 0.00 H new ATOM 0 HA ASN 1 23 2.947 15.104 -15.945 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 5.604 13.635 -16.151 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 4.146 13.088 -16.955 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 6.357 16.194 -18.458 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 6.763 15.382 -16.942 1.00 0.00 H new ATOM 303 N CYS 1 24 3.235 13.934 -13.234 1.00 0.00 N ATOM 304 CA CYS 1 24 2.783 13.020 -12.199 1.00 0.00 C ATOM 305 C CYS 1 24 1.314 12.674 -12.382 1.00 0.00 C ATOM 306 O CYS 1 24 0.433 13.314 -11.809 1.00 0.00 O ATOM 307 CB CYS 1 24 3.018 13.626 -10.815 1.00 0.00 C ATOM 308 SG CYS 1 24 2.614 12.512 -9.427 1.00 0.00 S ATOM 0 H CYS 1 24 3.478 14.865 -12.896 1.00 0.00 H new ATOM 0 HA CYS 1 24 3.361 12.100 -12.283 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 4.064 13.923 -10.734 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 2.421 14.533 -10.723 1.00 0.00 H new ATOM 313 N GLN 1 25 1.064 11.652 -13.189 1.00 0.00 N ATOM 314 CA GLN 1 25 -0.297 11.202 -13.462 1.00 0.00 C ATOM 315 C GLN 1 25 -0.782 10.229 -12.389 1.00 0.00 C ATOM 316 O GLN 1 25 -1.339 9.176 -12.698 1.00 0.00 O ATOM 317 CB GLN 1 25 -0.368 10.539 -14.839 1.00 0.00 C ATOM 318 CG GLN 1 25 0.457 9.267 -14.945 1.00 0.00 C ATOM 319 CD GLN 1 25 0.655 8.818 -16.380 1.00 0.00 C ATOM 320 OE1 GLN 1 25 -0.255 8.268 -17.001 1.00 0.00 O ATOM 321 NE2 GLN 1 25 1.848 9.051 -16.913 1.00 0.00 N ATOM 0 H GLN 1 25 1.788 11.116 -13.668 1.00 0.00 H new ATOM 0 HA GLN 1 25 -0.949 12.075 -13.450 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 -1.408 10.308 -15.068 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 -0.025 11.248 -15.593 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 1.430 9.430 -14.482 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 -0.034 8.472 -14.384 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 2.572 9.510 -16.361 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 2.040 8.771 -17.875 1.00 0.00 H new ATOM 330 N ASP 1 26 -0.575 10.593 -11.127 1.00 0.00 N ATOM 331 CA ASP 1 26 -0.997 9.760 -10.009 1.00 0.00 C ATOM 332 C ASP 1 26 -1.569 10.625 -8.892 1.00 0.00 C ATOM 333 O ASP 1 26 -0.831 11.162 -8.067 1.00 0.00 O ATOM 334 CB ASP 1 26 0.179 8.935 -9.483 1.00 0.00 C ATOM 335 CG ASP 1 26 0.871 8.150 -10.580 1.00 0.00 C ATOM 336 OD1 ASP 1 26 1.384 8.781 -11.528 1.00 0.00 O ATOM 337 OD2 ASP 1 26 0.901 6.905 -10.490 1.00 0.00 O ATOM 0 H ASP 1 26 -0.116 11.462 -10.854 1.00 0.00 H new ATOM 0 HA ASP 1 26 -1.772 9.079 -10.360 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 0.900 9.598 -9.005 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 -0.178 8.246 -8.717 1.00 0.00 H new ATOM 342 N ARG 1 27 -2.889 10.760 -8.878 1.00 0.00 N ATOM 343 CA ARG 1 27 -3.565 11.566 -7.869 1.00 0.00 C ATOM 344 C ARG 1 27 -3.362 10.990 -6.470 1.00 0.00 C ATOM 345 O ARG 1 27 -3.538 11.688 -5.472 1.00 0.00 O ATOM 346 CB ARG 1 27 -5.056 11.660 -8.188 1.00 0.00 C ATOM 347 CG ARG 1 27 -5.834 12.527 -7.213 1.00 0.00 C ATOM 348 CD ARG 1 27 -7.325 12.496 -7.507 1.00 0.00 C ATOM 349 NE ARG 1 27 -8.126 12.544 -6.286 1.00 0.00 N ATOM 350 CZ ARG 1 27 -9.414 12.214 -6.231 1.00 0.00 C ATOM 351 NH1 ARG 1 27 -10.051 11.813 -7.324 1.00 0.00 N ATOM 352 NH2 ARG 1 27 -10.068 12.286 -5.079 1.00 0.00 N ATOM 0 H ARG 1 27 -3.514 10.321 -9.555 1.00 0.00 H new ATOM 0 HA ARG 1 27 -3.129 12.565 -7.887 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 -5.179 12.060 -9.195 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 -5.483 10.657 -8.189 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 -5.656 12.181 -6.195 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 -5.472 13.554 -7.269 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 -7.586 13.340 -8.145 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 -7.566 11.590 -8.063 1.00 0.00 H new ATOM 0 HE ARG 1 27 -7.671 12.848 -5.425 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 -9.553 11.756 -8.213 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 -11.038 11.561 -7.276 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 -9.584 12.594 -4.236 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 -11.055 12.033 -5.036 1.00 0.00 H new ATOM 366 N CYS 1 28 -2.991 9.715 -6.401 1.00 0.00 N ATOM 367 CA CYS 1 28 -2.766 9.055 -5.120 1.00 0.00 C ATOM 368 C CYS 1 28 -1.272 8.906 -4.824 1.00 0.00 C ATOM 369 O CYS 1 28 -0.889 8.439 -3.751 1.00 0.00 O ATOM 370 CB CYS 1 28 -3.449 7.686 -5.105 1.00 0.00 C ATOM 371 SG CYS 1 28 -5.252 7.757 -5.372 1.00 0.00 S ATOM 0 H CYS 1 28 -2.840 9.120 -7.215 1.00 0.00 H new ATOM 0 HA CYS 1 28 -3.200 9.679 -4.339 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 -3.002 7.059 -5.876 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 -3.252 7.203 -4.148 1.00 0.00 H new ATOM 376 N CYS 1 29 -0.431 9.307 -5.777 1.00 0.00 N ATOM 377 CA CYS 1 29 1.017 9.218 -5.610 1.00 0.00 C ATOM 378 C CYS 1 29 1.703 10.480 -6.129 1.00 0.00 C ATOM 379 O CYS 1 29 1.490 10.888 -7.270 1.00 0.00 O ATOM 380 CB CYS 1 29 1.561 7.995 -6.346 1.00 0.00 C ATOM 381 SG CYS 1 29 0.901 6.406 -5.747 1.00 0.00 S ATOM 0 H CYS 1 29 -0.728 9.696 -6.672 1.00 0.00 H new ATOM 0 HA CYS 1 29 1.229 9.119 -4.545 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 1.333 8.093 -7.407 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 2.647 7.983 -6.253 1.00 0.00 H new ATOM 386 N ASN 1 30 2.524 11.095 -5.283 1.00 0.00 N ATOM 387 CA ASN 1 30 3.237 12.313 -5.659 1.00 0.00 C ATOM 388 C ASN 1 30 4.742 12.071 -5.755 1.00 0.00 C ATOM 389 O ASN 1 30 5.351 11.491 -4.850 1.00 0.00 O ATOM 390 CB ASN 1 30 2.946 13.424 -4.647 1.00 0.00 C ATOM 391 CG ASN 1 30 3.633 14.728 -5.000 1.00 0.00 C ATOM 392 OD1 ASN 1 30 3.475 15.248 -6.104 1.00 0.00 O ATOM 393 ND2 ASN 1 30 4.403 15.263 -4.060 1.00 0.00 N ATOM 0 H ASN 1 30 2.712 10.771 -4.334 1.00 0.00 H new ATOM 0 HA ASN 1 30 2.884 12.620 -6.643 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 1.870 13.588 -4.592 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 3.270 13.103 -3.657 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 4.892 16.140 -4.239 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 4.505 14.797 -3.158 1.00 0.00 H new ATOM 400 N ALA 1 31 5.332 12.524 -6.862 1.00 0.00 N ATOM 401 CA ALA 1 31 6.765 12.371 -7.093 1.00 0.00 C ATOM 402 C ALA 1 31 7.565 13.322 -6.213 1.00 0.00 C ATOM 403 O ALA 1 31 8.589 12.947 -5.642 1.00 0.00 O ATOM 404 CB ALA 1 31 7.092 12.620 -8.559 1.00 0.00 C ATOM 0 H ALA 1 31 4.835 13.001 -7.614 1.00 0.00 H new ATOM 0 HA ALA 1 31 7.042 11.349 -6.834 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 8.164 12.503 -8.718 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 6.553 11.904 -9.179 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 6.794 13.632 -8.832 1.00 0.00 H new ATOM 410 N ALA 1 32 7.089 14.559 -6.113 1.00 0.00 N ATOM 411 CA ALA 1 32 7.754 15.577 -5.306 1.00 0.00 C ATOM 412 C ALA 1 32 7.970 15.103 -3.871 1.00 0.00 C ATOM 413 O ALA 1 32 8.798 15.653 -3.146 1.00 0.00 O ATOM 414 CB ALA 1 32 6.947 16.867 -5.321 1.00 0.00 C ATOM 0 H ALA 1 32 6.243 14.882 -6.582 1.00 0.00 H new ATOM 0 HA ALA 1 32 8.735 15.763 -5.744 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 7.452 17.619 -4.716 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 6.856 17.227 -6.346 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 5.954 16.680 -4.912 1.00 0.00 H new ATOM 420 N THR 1 33 7.223 14.080 -3.465 1.00 0.00 N ATOM 421 CA THR 1 33 7.338 13.538 -2.119 1.00 0.00 C ATOM 422 C THR 1 33 7.746 12.072 -2.160 1.00 0.00 C ATOM 423 O THR 1 33 8.158 11.505 -1.148 1.00 0.00 O ATOM 424 CB THR 1 33 6.004 13.673 -1.379 1.00 0.00 C ATOM 425 OG1 THR 1 33 6.169 13.407 0.003 1.00 0.00 O ATOM 426 CG2 THR 1 33 4.928 12.739 -1.902 1.00 0.00 C ATOM 0 H THR 1 33 6.532 13.611 -4.051 1.00 0.00 H new ATOM 0 HA THR 1 33 8.106 14.104 -1.592 1.00 0.00 H new ATOM 0 HB THR 1 33 5.683 14.701 -1.549 1.00 0.00 H new ATOM 0 HG1 THR 1 33 6.874 12.737 0.125 1.00 0.00 H new ATOM 0 HG21 THR 1 33 4.010 12.887 -1.333 1.00 0.00 H new ATOM 0 HG22 THR 1 33 4.741 12.952 -2.955 1.00 0.00 H new ATOM 0 HG23 THR 1 33 5.259 11.706 -1.794 1.00 0.00 H new ATOM 434 N CYS 1 34 7.599 11.453 -3.327 1.00 0.00 N ATOM 435 CA CYS 1 34 7.923 10.048 -3.481 1.00 0.00 C ATOM 436 C CYS 1 34 7.107 9.236 -2.485 1.00 0.00 C ATOM 437 O CYS 1 34 7.576 8.239 -1.940 1.00 0.00 O ATOM 438 CB CYS 1 34 9.420 9.808 -3.262 1.00 0.00 C ATOM 439 SG CYS 1 34 10.438 9.991 -4.763 1.00 0.00 S ATOM 0 H CYS 1 34 7.258 11.905 -4.175 1.00 0.00 H new ATOM 0 HA CYS 1 34 7.678 9.735 -4.496 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 9.781 10.505 -2.506 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 9.560 8.804 -2.863 1.00 0.00 H new ATOM 444 N LYS 1 35 5.883 9.692 -2.241 1.00 0.00 N ATOM 445 CA LYS 1 35 4.988 9.032 -1.295 1.00 0.00 C ATOM 446 C LYS 1 35 3.532 9.306 -1.650 1.00 0.00 C ATOM 447 O LYS 1 35 3.239 10.063 -2.576 1.00 0.00 O ATOM 448 CB LYS 1 35 5.259 9.519 0.133 1.00 0.00 C ATOM 449 CG LYS 1 35 6.688 9.302 0.606 1.00 0.00 C ATOM 450 CD LYS 1 35 6.973 7.830 0.868 1.00 0.00 C ATOM 451 CE LYS 1 35 7.327 7.578 2.325 1.00 0.00 C ATOM 452 NZ LYS 1 35 6.425 8.315 3.253 1.00 0.00 N ATOM 0 H LYS 1 35 5.486 10.519 -2.687 1.00 0.00 H new ATOM 0 HA LYS 1 35 5.175 7.960 -1.352 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 5.026 10.582 0.192 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 4.581 9.006 0.815 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 7.382 9.680 -0.145 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 6.861 9.875 1.517 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 6.100 7.236 0.597 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 7.793 7.499 0.231 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 7.267 6.510 2.533 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 8.359 7.881 2.505 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 6.276 7.750 4.114 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 6.858 9.226 3.507 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 5.511 8.484 2.787 1.00 0.00 H new ATOM 466 N LEU 1 36 2.622 8.690 -0.903 1.00 0.00 N ATOM 467 CA LEU 1 36 1.194 8.870 -1.135 1.00 0.00 C ATOM 468 C LEU 1 36 0.792 10.329 -0.940 1.00 0.00 C ATOM 469 O LEU 1 36 1.231 10.983 0.006 1.00 0.00 O ATOM 470 CB LEU 1 36 0.387 7.976 -0.192 1.00 0.00 C ATOM 471 CG LEU 1 36 0.486 6.476 -0.480 1.00 0.00 C ATOM 472 CD1 LEU 1 36 0.617 5.690 0.816 1.00 0.00 C ATOM 473 CD2 LEU 1 36 -0.725 6.005 -1.271 1.00 0.00 C ATOM 0 H LEU 1 36 2.848 8.062 -0.132 1.00 0.00 H new ATOM 0 HA LEU 1 36 0.979 8.587 -2.165 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 0.720 8.157 0.830 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 -0.661 8.272 -0.243 1.00 0.00 H new ATOM 0 HG LEU 1 36 1.379 6.299 -1.079 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 0.686 4.626 0.591 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 1.515 6.008 1.345 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 -0.256 5.872 1.442 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 -0.638 4.936 -1.467 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 -1.632 6.196 -0.697 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 -0.774 6.545 -2.217 1.00 0.00 H new ATOM 485 N THR 1 37 -0.043 10.833 -1.842 1.00 0.00 N ATOM 486 CA THR 1 37 -0.503 12.216 -1.770 1.00 0.00 C ATOM 487 C THR 1 37 -1.578 12.377 -0.698 1.00 0.00 C ATOM 488 O THR 1 37 -2.200 11.401 -0.278 1.00 0.00 O ATOM 489 CB THR 1 37 -1.049 12.667 -3.126 1.00 0.00 C ATOM 490 OG1 THR 1 37 -2.349 12.146 -3.341 1.00 0.00 O ATOM 491 CG2 THR 1 37 -0.185 12.241 -4.293 1.00 0.00 C ATOM 0 H THR 1 37 -0.415 10.305 -2.631 1.00 0.00 H new ATOM 0 HA THR 1 37 0.349 12.841 -1.503 1.00 0.00 H new ATOM 0 HB THR 1 37 -1.061 13.756 -3.084 1.00 0.00 H new ATOM 0 HG1 THR 1 37 -2.591 12.249 -4.285 1.00 0.00 H new ATOM 0 HG21 THR 1 37 -0.630 12.594 -5.223 1.00 0.00 H new ATOM 0 HG22 THR 1 37 0.812 12.668 -4.183 1.00 0.00 H new ATOM 0 HG23 THR 1 37 -0.113 11.154 -4.315 1.00 0.00 H new ATOM 499 N PRO 1 38 -1.813 13.619 -0.240 1.00 0.00 N ATOM 500 CA PRO 1 38 -2.820 13.904 0.788 1.00 0.00 C ATOM 501 C PRO 1 38 -4.188 13.334 0.429 1.00 0.00 C ATOM 502 O PRO 1 38 -4.734 13.627 -0.634 1.00 0.00 O ATOM 503 CB PRO 1 38 -2.870 15.434 0.824 1.00 0.00 C ATOM 504 CG PRO 1 38 -1.536 15.869 0.325 1.00 0.00 C ATOM 505 CD PRO 1 38 -1.117 14.840 -0.687 1.00 0.00 C ATOM 0 HA PRO 1 38 -2.565 13.451 1.746 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 -3.673 15.819 0.195 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 -3.053 15.800 1.834 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 -1.592 16.860 -0.126 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 -0.815 15.930 1.140 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 -1.414 15.125 -1.696 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 -0.035 14.705 -0.699 1.00 0.00 H new ATOM 513 N GLY 1 39 -4.736 12.518 1.323 1.00 0.00 N ATOM 514 CA GLY 1 39 -6.035 11.919 1.082 1.00 0.00 C ATOM 515 C GLY 1 39 -5.941 10.438 0.775 1.00 0.00 C ATOM 516 O GLY 1 39 -6.785 9.652 1.208 1.00 0.00 O ATOM 0 H GLY 1 39 -4.303 12.261 2.210 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 -6.668 12.066 1.957 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 -6.519 12.430 0.249 1.00 0.00 H new ATOM 520 N SER 1 40 -4.911 10.055 0.028 1.00 0.00 N ATOM 521 CA SER 1 40 -4.708 8.658 -0.337 1.00 0.00 C ATOM 522 C SER 1 40 -3.675 8.004 0.575 1.00 0.00 C ATOM 523 O SER 1 40 -2.601 8.558 0.810 1.00 0.00 O ATOM 524 CB SER 1 40 -4.260 8.549 -1.795 1.00 0.00 C ATOM 525 OG SER 1 40 -5.311 8.899 -2.679 1.00 0.00 O ATOM 0 H SER 1 40 -4.204 10.693 -0.337 1.00 0.00 H new ATOM 0 HA SER 1 40 -5.657 8.135 -0.217 1.00 0.00 H new ATOM 0 HB2 SER 1 40 -3.404 9.202 -1.966 1.00 0.00 H new ATOM 0 HB3 SER 1 40 -3.930 7.531 -2.002 1.00 0.00 H new ATOM 0 HG SER 1 40 -5.314 8.285 -3.443 1.00 0.00 H new ATOM 531 N GLN 1 41 -4.009 6.825 1.089 1.00 0.00 N ATOM 532 CA GLN 1 41 -3.111 6.096 1.977 1.00 0.00 C ATOM 533 C GLN 1 41 -2.583 4.827 1.312 1.00 0.00 C ATOM 534 O GLN 1 41 -1.552 4.290 1.713 1.00 0.00 O ATOM 535 CB GLN 1 41 -3.831 5.737 3.279 1.00 0.00 C ATOM 536 CG GLN 1 41 -4.261 6.949 4.090 1.00 0.00 C ATOM 537 CD GLN 1 41 -3.389 7.174 5.309 1.00 0.00 C ATOM 538 OE1 GLN 1 41 -2.924 6.224 5.938 1.00 0.00 O ATOM 539 NE2 GLN 1 41 -3.163 8.438 5.649 1.00 0.00 N ATOM 0 H GLN 1 41 -4.895 6.354 0.906 1.00 0.00 H new ATOM 0 HA GLN 1 41 -2.263 6.744 2.199 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 -4.710 5.136 3.045 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 -3.174 5.117 3.889 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 -4.229 7.835 3.456 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 -5.296 6.821 4.407 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 -3.569 9.195 5.098 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 -2.583 8.652 6.461 1.00 0.00 H new ATOM 548 N CYS 1 42 -3.298 4.348 0.297 1.00 0.00 N ATOM 549 CA CYS 1 42 -2.899 3.140 -0.414 1.00 0.00 C ATOM 550 C CYS 1 42 -2.609 3.428 -1.884 1.00 0.00 C ATOM 551 O CYS 1 42 -2.799 4.542 -2.372 1.00 0.00 O ATOM 552 CB CYS 1 42 -3.984 2.065 -0.286 1.00 0.00 C ATOM 553 SG CYS 1 42 -5.052 1.842 -1.756 1.00 0.00 S ATOM 0 H CYS 1 42 -4.155 4.778 -0.050 1.00 0.00 H new ATOM 0 HA CYS 1 42 -1.979 2.773 0.041 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 -3.503 1.113 -0.061 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 -4.617 2.312 0.567 1.00 0.00 H new ATOM 558 N ASN 1 43 -2.163 2.393 -2.573 1.00 0.00 N ATOM 559 CA ASN 1 43 -1.846 2.460 -3.993 1.00 0.00 C ATOM 560 C ASN 1 43 -1.463 1.067 -4.483 1.00 0.00 C ATOM 561 O ASN 1 43 -1.780 0.674 -5.606 1.00 0.00 O ATOM 562 CB ASN 1 43 -0.716 3.458 -4.249 1.00 0.00 C ATOM 563 CG ASN 1 43 -0.283 3.482 -5.703 1.00 0.00 C ATOM 564 OD1 ASN 1 43 -1.113 3.563 -6.608 1.00 0.00 O ATOM 565 ND2 ASN 1 43 1.022 3.410 -5.933 1.00 0.00 N ATOM 0 H ASN 1 43 -2.008 1.473 -2.161 1.00 0.00 H new ATOM 0 HA ASN 1 43 -2.720 2.807 -4.544 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 -1.042 4.455 -3.953 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 0.139 3.203 -3.622 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 1.372 3.421 -6.891 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 1.675 3.344 -5.152 1.00 0.00 H new ATOM 572 N TYR 1 44 -0.799 0.323 -3.605 1.00 0.00 N ATOM 573 CA TYR 1 44 -0.381 -1.039 -3.888 1.00 0.00 C ATOM 574 C TYR 1 44 -0.251 -1.805 -2.571 1.00 0.00 C ATOM 575 O TYR 1 44 0.234 -1.262 -1.579 1.00 0.00 O ATOM 576 CB TYR 1 44 0.941 -1.047 -4.670 1.00 0.00 C ATOM 577 CG TYR 1 44 2.175 -1.141 -3.801 1.00 0.00 C ATOM 578 CD1 TYR 1 44 2.541 -2.347 -3.221 1.00 0.00 C ATOM 579 CD2 TYR 1 44 2.965 -0.026 -3.556 1.00 0.00 C ATOM 580 CE1 TYR 1 44 3.660 -2.443 -2.423 1.00 0.00 C ATOM 581 CE2 TYR 1 44 4.090 -0.112 -2.759 1.00 0.00 C ATOM 582 CZ TYR 1 44 4.433 -1.323 -2.194 1.00 0.00 C ATOM 583 OH TYR 1 44 5.552 -1.415 -1.397 1.00 0.00 O ATOM 0 H TYR 1 44 -0.536 0.651 -2.676 1.00 0.00 H new ATOM 0 HA TYR 1 44 -1.129 -1.530 -4.510 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 0.934 -1.887 -5.364 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 1.001 -0.139 -5.270 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 1.938 -3.226 -3.398 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 2.696 0.923 -3.995 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 3.931 -3.390 -1.979 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 4.697 0.763 -2.579 1.00 0.00 H new ATOM 0 HH TYR 1 44 5.985 -0.538 -1.338 1.00 0.00 H new ATOM 593 N GLY 1 45 -0.694 -3.056 -2.558 1.00 0.00 N ATOM 594 CA GLY 1 45 -0.624 -3.854 -1.345 1.00 0.00 C ATOM 595 C GLY 1 45 -1.971 -4.444 -0.959 1.00 0.00 C ATOM 596 O GLY 1 45 -3.012 -4.007 -1.451 1.00 0.00 O ATOM 0 H GLY 1 45 -1.100 -3.533 -3.363 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 0.096 -4.660 -1.485 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -0.254 -3.235 -0.527 1.00 0.00 H new ATOM 600 N GLU 1 46 -1.947 -5.445 -0.084 1.00 0.00 N ATOM 601 CA GLU 1 46 -3.168 -6.113 0.361 1.00 0.00 C ATOM 602 C GLU 1 46 -4.149 -5.147 1.021 1.00 0.00 C ATOM 603 O GLU 1 46 -5.347 -5.181 0.739 1.00 0.00 O ATOM 604 CB GLU 1 46 -2.823 -7.230 1.348 1.00 0.00 C ATOM 605 CG GLU 1 46 -2.705 -8.600 0.702 1.00 0.00 C ATOM 606 CD GLU 1 46 -1.264 -9.034 0.514 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -0.422 -8.678 1.365 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -0.979 -9.729 -0.484 1.00 0.00 O ATOM 0 H GLU 1 46 -1.092 -5.813 0.333 1.00 0.00 H new ATOM 0 HA GLU 1 46 -3.648 -6.526 -0.526 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -1.882 -6.989 1.842 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -3.589 -7.268 2.123 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -3.224 -9.334 1.318 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -3.205 -8.585 -0.266 1.00 0.00 H new ATOM 615 N CYS 1 47 -3.646 -4.304 1.916 1.00 0.00 N ATOM 616 CA CYS 1 47 -4.501 -3.357 2.627 1.00 0.00 C ATOM 617 C CYS 1 47 -4.996 -2.235 1.718 1.00 0.00 C ATOM 618 O CYS 1 47 -5.938 -1.525 2.063 1.00 0.00 O ATOM 619 CB CYS 1 47 -3.761 -2.768 3.829 1.00 0.00 C ATOM 620 SG CYS 1 47 -3.416 -3.971 5.154 1.00 0.00 S ATOM 0 H CYS 1 47 -2.658 -4.256 2.166 1.00 0.00 H new ATOM 0 HA CYS 1 47 -5.374 -3.910 2.974 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 -2.819 -2.340 3.488 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 -4.352 -1.950 4.241 1.00 0.00 H new ATOM 625 N CYS 1 48 -4.362 -2.061 0.565 1.00 0.00 N ATOM 626 CA CYS 1 48 -4.757 -1.006 -0.352 1.00 0.00 C ATOM 627 C CYS 1 48 -6.135 -1.260 -0.959 1.00 0.00 C ATOM 628 O CYS 1 48 -6.386 -2.304 -1.561 1.00 0.00 O ATOM 629 CB CYS 1 48 -3.721 -0.862 -1.467 1.00 0.00 C ATOM 630 SG CYS 1 48 -4.207 0.304 -2.778 1.00 0.00 S ATOM 0 H CYS 1 48 -3.579 -2.633 0.247 1.00 0.00 H new ATOM 0 HA CYS 1 48 -4.812 -0.081 0.222 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 -2.777 -0.532 -1.033 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 -3.542 -1.841 -1.912 1.00 0.00 H new ATOM 635 N ASP 1 49 -7.015 -0.273 -0.804 1.00 0.00 N ATOM 636 CA ASP 1 49 -8.368 -0.344 -1.339 1.00 0.00 C ATOM 637 C ASP 1 49 -8.913 1.062 -1.578 1.00 0.00 C ATOM 638 O ASP 1 49 -9.180 1.804 -0.633 1.00 0.00 O ATOM 639 CB ASP 1 49 -9.284 -1.109 -0.381 1.00 0.00 C ATOM 640 CG ASP 1 49 -10.270 -1.999 -1.112 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -9.855 -2.683 -2.071 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -11.457 -2.012 -0.725 1.00 0.00 O ATOM 0 H ASP 1 49 -6.809 0.593 -0.306 1.00 0.00 H new ATOM 0 HA ASP 1 49 -8.338 -0.877 -2.289 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -8.677 -1.718 0.289 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -9.830 -0.399 0.240 1.00 0.00 H new ATOM 647 N GLN 1 50 -9.066 1.426 -2.849 1.00 0.00 N ATOM 648 CA GLN 1 50 -9.571 2.747 -3.211 1.00 0.00 C ATOM 649 C GLN 1 50 -8.614 3.840 -2.739 1.00 0.00 C ATOM 650 O GLN 1 50 -9.036 4.853 -2.182 1.00 0.00 O ATOM 651 CB GLN 1 50 -10.960 2.971 -2.609 1.00 0.00 C ATOM 652 CG GLN 1 50 -11.773 4.031 -3.333 1.00 0.00 C ATOM 653 CD GLN 1 50 -13.259 3.728 -3.331 1.00 0.00 C ATOM 654 OE1 GLN 1 50 -13.783 3.126 -4.267 1.00 0.00 O ATOM 655 NE2 GLN 1 50 -13.946 4.147 -2.274 1.00 0.00 N ATOM 0 H GLN 1 50 -8.848 0.825 -3.644 1.00 0.00 H new ATOM 0 HA GLN 1 50 -9.645 2.796 -4.297 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 -11.510 2.030 -2.625 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 -10.851 3.259 -1.563 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 -11.603 4.999 -2.862 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 -11.424 4.112 -4.362 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 -13.470 4.643 -1.520 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 -14.949 3.973 -2.216 1.00 0.00 H new ATOM 664 N CYS 1 51 -7.322 3.619 -2.959 1.00 0.00 N ATOM 665 CA CYS 1 51 -6.297 4.577 -2.551 1.00 0.00 C ATOM 666 C CYS 1 51 -6.339 4.809 -1.042 1.00 0.00 C ATOM 667 O CYS 1 51 -5.884 5.842 -0.551 1.00 0.00 O ATOM 668 CB CYS 1 51 -6.463 5.902 -3.295 1.00 0.00 C ATOM 669 SG CYS 1 51 -5.881 5.858 -5.022 1.00 0.00 S ATOM 0 H CYS 1 51 -6.958 2.784 -3.418 1.00 0.00 H new ATOM 0 HA CYS 1 51 -5.325 4.156 -2.809 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 -7.516 6.184 -3.284 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 -5.919 6.679 -2.758 1.00 0.00 H new ATOM 674 N ARG 1 52 -6.881 3.837 -0.311 1.00 0.00 N ATOM 675 CA ARG 1 52 -6.976 3.928 1.143 1.00 0.00 C ATOM 676 C ARG 1 52 -6.752 2.558 1.779 1.00 0.00 C ATOM 677 O ARG 1 52 -7.277 1.551 1.303 1.00 0.00 O ATOM 678 CB ARG 1 52 -8.342 4.484 1.554 1.00 0.00 C ATOM 679 CG ARG 1 52 -8.253 5.687 2.479 1.00 0.00 C ATOM 680 CD ARG 1 52 -9.631 6.230 2.820 1.00 0.00 C ATOM 681 NE ARG 1 52 -9.694 6.745 4.185 1.00 0.00 N ATOM 682 CZ ARG 1 52 -10.821 7.119 4.786 1.00 0.00 C ATOM 683 NH1 ARG 1 52 -11.981 7.037 4.146 1.00 0.00 N ATOM 684 NH2 ARG 1 52 -10.789 7.576 6.030 1.00 0.00 N ATOM 0 H ARG 1 52 -7.262 2.976 -0.704 1.00 0.00 H new ATOM 0 HA ARG 1 52 -6.201 4.607 1.497 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 -8.896 4.765 0.658 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 -8.912 3.697 2.048 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 -7.735 5.405 3.396 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 -7.660 6.469 2.005 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 -9.891 7.025 2.120 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 -10.373 5.441 2.696 1.00 0.00 H new ATOM 0 HE ARG 1 52 -8.822 6.823 4.709 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 -12.012 6.686 3.189 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 -12.842 7.325 4.611 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 -9.900 7.641 6.527 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 -11.653 7.863 6.490 1.00 0.00 H new ATOM 698 N PHE 1 53 -5.963 2.522 2.850 1.00 0.00 N ATOM 699 CA PHE 1 53 -5.669 1.267 3.535 1.00 0.00 C ATOM 700 C PHE 1 53 -6.919 0.663 4.148 1.00 0.00 C ATOM 701 O PHE 1 53 -7.814 1.376 4.602 1.00 0.00 O ATOM 702 CB PHE 1 53 -4.614 1.473 4.624 1.00 0.00 C ATOM 703 CG PHE 1 53 -3.235 1.689 4.079 1.00 0.00 C ATOM 704 CD1 PHE 1 53 -2.771 0.923 3.024 1.00 0.00 C ATOM 705 CD2 PHE 1 53 -2.406 2.658 4.617 1.00 0.00 C ATOM 706 CE1 PHE 1 53 -1.505 1.117 2.514 1.00 0.00 C ATOM 707 CE2 PHE 1 53 -1.136 2.859 4.111 1.00 0.00 C ATOM 708 CZ PHE 1 53 -0.684 2.087 3.057 1.00 0.00 C ATOM 0 H PHE 1 53 -5.518 3.343 3.260 1.00 0.00 H new ATOM 0 HA PHE 1 53 -5.280 0.576 2.787 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 -4.895 2.331 5.234 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 -4.606 0.603 5.281 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 -3.408 0.164 2.595 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 -2.755 3.263 5.441 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 -1.155 0.512 1.691 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 -0.497 3.618 4.538 1.00 0.00 H new ATOM 0 HZ PHE 1 53 0.308 2.242 2.659 1.00 0.00 H new ATOM 718 N LYS 1 54 -6.964 -0.662 4.169 1.00 0.00 N ATOM 719 CA LYS 1 54 -8.095 -1.373 4.740 1.00 0.00 C ATOM 720 C LYS 1 54 -8.094 -1.216 6.253 1.00 0.00 C ATOM 721 O LYS 1 54 -7.293 -1.843 6.947 1.00 0.00 O ATOM 722 CB LYS 1 54 -8.041 -2.855 4.360 1.00 0.00 C ATOM 723 CG LYS 1 54 -8.937 -3.214 3.186 1.00 0.00 C ATOM 724 CD LYS 1 54 -8.317 -4.303 2.325 1.00 0.00 C ATOM 725 CE LYS 1 54 -8.715 -4.152 0.866 1.00 0.00 C ATOM 726 NZ LYS 1 54 -8.933 -5.472 0.211 1.00 0.00 N ATOM 0 H LYS 1 54 -6.230 -1.264 3.797 1.00 0.00 H new ATOM 0 HA LYS 1 54 -9.016 -0.948 4.340 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -7.013 -3.122 4.117 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -8.330 -3.454 5.224 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -9.906 -3.549 3.556 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -9.116 -2.327 2.579 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -7.231 -4.264 2.413 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -8.632 -5.281 2.690 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -9.626 -3.558 0.798 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -7.937 -3.606 0.332 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -9.203 -5.326 -0.783 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -8.056 -6.030 0.253 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -9.692 -5.983 0.704 1.00 0.00 H new ATOM 740 N LYS 1 55 -8.987 -0.363 6.754 1.00 0.00 N ATOM 741 CA LYS 1 55 -9.098 -0.096 8.188 1.00 0.00 C ATOM 742 C LYS 1 55 -8.730 -1.319 9.020 1.00 0.00 C ATOM 743 O LYS 1 55 -9.242 -2.420 8.791 1.00 0.00 O ATOM 744 CB LYS 1 55 -10.518 0.356 8.533 1.00 0.00 C ATOM 745 CG LYS 1 55 -10.697 0.740 9.992 1.00 0.00 C ATOM 746 CD LYS 1 55 -10.061 2.087 10.296 1.00 0.00 C ATOM 747 CE LYS 1 55 -10.709 2.749 11.501 1.00 0.00 C ATOM 748 NZ LYS 1 55 -9.774 3.676 12.196 1.00 0.00 N ATOM 0 H LYS 1 55 -9.650 0.160 6.182 1.00 0.00 H new ATOM 0 HA LYS 1 55 -8.393 0.700 8.429 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 -10.781 1.209 7.907 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 -11.215 -0.446 8.289 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 -11.760 0.776 10.232 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 -10.252 -0.025 10.628 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 -8.995 1.954 10.482 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 -10.154 2.739 9.427 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 -11.594 3.299 11.181 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 -11.045 1.982 12.199 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 -10.254 4.107 13.012 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 -8.941 3.147 12.525 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 -9.472 4.423 11.538 1.00 0.00 H new ATOM 762 N ALA 1 56 -7.832 -1.120 9.983 1.00 0.00 N ATOM 763 CA ALA 1 56 -7.388 -2.204 10.849 1.00 0.00 C ATOM 764 C ALA 1 56 -8.559 -3.086 11.248 1.00 0.00 C ATOM 765 O ALA 1 56 -9.617 -2.594 11.641 1.00 0.00 O ATOM 766 CB ALA 1 56 -6.703 -1.660 12.088 1.00 0.00 C ATOM 0 H ALA 1 56 -7.399 -0.218 10.181 1.00 0.00 H new ATOM 0 HA ALA 1 56 -6.670 -2.805 10.291 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 -6.381 -2.488 12.719 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 -5.836 -1.069 11.794 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 -7.400 -1.031 12.643 1.00 0.00 H new ATOM 772 N GLY 1 57 -8.372 -4.385 11.122 1.00 0.00 N ATOM 773 CA GLY 1 57 -9.431 -5.316 11.448 1.00 0.00 C ATOM 774 C GLY 1 57 -10.021 -5.948 10.205 1.00 0.00 C ATOM 775 O GLY 1 57 -10.848 -6.855 10.292 1.00 0.00 O ATOM 0 H GLY 1 57 -7.505 -4.815 10.799 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -9.042 -6.095 12.103 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -10.215 -4.797 12.000 1.00 0.00 H new ATOM 779 N THR 1 58 -9.584 -5.472 9.039 1.00 0.00 N ATOM 780 CA THR 1 58 -10.060 -6.002 7.769 1.00 0.00 C ATOM 781 C THR 1 58 -9.326 -7.291 7.413 1.00 0.00 C ATOM 782 O THR 1 58 -8.162 -7.260 7.012 1.00 0.00 O ATOM 783 CB THR 1 58 -9.851 -4.974 6.659 1.00 0.00 C ATOM 784 OG1 THR 1 58 -10.479 -3.747 6.984 1.00 0.00 O ATOM 785 CG2 THR 1 58 -10.391 -5.429 5.322 1.00 0.00 C ATOM 0 H THR 1 58 -8.901 -4.720 8.952 1.00 0.00 H new ATOM 0 HA THR 1 58 -11.124 -6.218 7.868 1.00 0.00 H new ATOM 0 HB THR 1 58 -8.771 -4.850 6.576 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -9.845 -3.172 7.461 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -10.212 -4.656 4.575 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -9.888 -6.348 5.020 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -11.462 -5.612 5.405 1.00 0.00 H new ATOM 793 N VAL 1 59 -10.008 -8.423 7.555 1.00 0.00 N ATOM 794 CA VAL 1 59 -9.411 -9.712 7.240 1.00 0.00 C ATOM 795 C VAL 1 59 -9.064 -9.793 5.758 1.00 0.00 C ATOM 796 O VAL 1 59 -9.947 -9.771 4.901 1.00 0.00 O ATOM 797 CB VAL 1 59 -10.351 -10.882 7.610 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -11.765 -10.606 7.124 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -9.834 -12.197 7.041 1.00 0.00 C ATOM 0 H VAL 1 59 -10.972 -8.472 7.885 1.00 0.00 H new ATOM 0 HA VAL 1 59 -8.501 -9.799 7.834 1.00 0.00 H new ATOM 0 HB VAL 1 59 -10.371 -10.970 8.696 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -12.412 -11.441 7.394 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -12.138 -9.693 7.589 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -11.760 -10.486 6.041 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -10.513 -13.004 7.315 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -9.775 -12.126 5.955 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -8.843 -12.404 7.445 1.00 0.00 H new ATOM 809 N CYS 1 60 -7.775 -9.898 5.465 1.00 0.00 N ATOM 810 CA CYS 1 60 -7.316 -9.995 4.086 1.00 0.00 C ATOM 811 C CYS 1 60 -7.178 -11.454 3.681 1.00 0.00 C ATOM 812 O CYS 1 60 -7.422 -11.820 2.531 1.00 0.00 O ATOM 813 CB CYS 1 60 -5.979 -9.277 3.913 1.00 0.00 C ATOM 814 SG CYS 1 60 -4.609 -10.032 4.842 1.00 0.00 S ATOM 0 H CYS 1 60 -7.030 -9.918 6.162 1.00 0.00 H new ATOM 0 HA CYS 1 60 -8.054 -9.515 3.443 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -5.721 -9.261 2.854 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -6.091 -8.240 4.230 1.00 0.00 H new ATOM 819 N ARG 1 61 -6.790 -12.286 4.642 1.00 0.00 N ATOM 820 CA ARG 1 61 -6.625 -13.713 4.392 1.00 0.00 C ATOM 821 C ARG 1 61 -6.825 -14.517 5.671 1.00 0.00 C ATOM 822 O ARG 1 61 -7.085 -13.959 6.736 1.00 0.00 O ATOM 823 CB ARG 1 61 -5.243 -14.009 3.797 1.00 0.00 C ATOM 824 CG ARG 1 61 -4.133 -13.115 4.330 1.00 0.00 C ATOM 825 CD ARG 1 61 -2.875 -13.909 4.647 1.00 0.00 C ATOM 826 NE ARG 1 61 -1.796 -13.055 5.138 1.00 0.00 N ATOM 827 CZ ARG 1 61 -1.122 -12.198 4.374 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -1.412 -12.078 3.084 1.00 0.00 N ATOM 829 NH2 ARG 1 61 -0.155 -11.460 4.901 1.00 0.00 N ATOM 0 H ARG 1 61 -6.584 -11.998 5.599 1.00 0.00 H new ATOM 0 HA ARG 1 61 -7.386 -14.012 3.671 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -4.987 -15.049 4.000 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -5.295 -13.899 2.714 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -3.901 -12.345 3.595 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -4.477 -12.604 5.229 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -3.105 -14.668 5.395 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -2.543 -14.434 3.751 1.00 0.00 H new ATOM 0 HE ARG 1 61 -1.544 -13.119 6.124 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -2.155 -12.644 2.673 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 -0.892 -11.420 2.504 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 0.072 -11.549 5.891 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 0.362 -10.803 4.316 1.00 0.00 H new ATOM 843 N ILE 1 62 -6.692 -15.831 5.554 1.00 0.00 N ATOM 844 CA ILE 1 62 -6.842 -16.733 6.683 1.00 0.00 C ATOM 845 C ILE 1 62 -6.112 -18.030 6.392 1.00 0.00 C ATOM 846 O ILE 1 62 -6.305 -18.634 5.337 1.00 0.00 O ATOM 847 CB ILE 1 62 -8.317 -17.075 6.984 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -9.172 -15.810 7.106 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -8.411 -17.902 8.260 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -8.956 -15.065 8.404 1.00 0.00 C ATOM 0 H ILE 1 62 -6.477 -16.299 4.674 1.00 0.00 H new ATOM 0 HA ILE 1 62 -6.426 -16.222 7.551 1.00 0.00 H new ATOM 0 HB ILE 1 62 -8.705 -17.658 6.149 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -8.946 -15.146 6.272 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -10.224 -16.082 7.022 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -9.455 -18.138 8.464 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -7.847 -18.827 8.137 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -7.998 -17.333 9.093 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -9.592 -14.180 8.426 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -9.209 -15.714 9.242 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -7.911 -14.763 8.481 1.00 0.00 H new ATOM 862 N ALA 1 63 -5.278 -18.463 7.324 1.00 0.00 N ATOM 863 CA ALA 1 63 -4.533 -19.702 7.142 1.00 0.00 C ATOM 864 C ALA 1 63 -5.474 -20.817 6.698 1.00 0.00 C ATOM 865 O ALA 1 63 -5.508 -21.167 5.519 1.00 0.00 O ATOM 866 CB ALA 1 63 -3.778 -20.084 8.406 1.00 0.00 C ATOM 0 H ALA 1 63 -5.100 -17.982 8.206 1.00 0.00 H new ATOM 0 HA ALA 1 63 -3.790 -19.547 6.360 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -3.233 -21.013 8.237 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -3.075 -19.292 8.663 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -4.485 -20.222 9.224 1.00 0.00 H new ATOM 872 N ARG 1 64 -6.260 -21.343 7.640 1.00 0.00 N ATOM 873 CA ARG 1 64 -7.239 -22.399 7.341 1.00 0.00 C ATOM 874 C ARG 1 64 -7.720 -23.099 8.613 1.00 0.00 C ATOM 875 O ARG 1 64 -7.281 -24.206 8.923 1.00 0.00 O ATOM 876 CB ARG 1 64 -6.659 -23.442 6.372 1.00 0.00 C ATOM 877 CG ARG 1 64 -7.489 -23.628 5.109 1.00 0.00 C ATOM 878 CD ARG 1 64 -7.658 -22.323 4.347 1.00 0.00 C ATOM 879 NE ARG 1 64 -6.595 -22.120 3.366 1.00 0.00 N ATOM 880 CZ ARG 1 64 -6.523 -22.769 2.206 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -7.449 -23.661 1.877 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -5.522 -22.524 1.371 1.00 0.00 N ATOM 0 H ARG 1 64 -6.240 -21.057 8.619 1.00 0.00 H new ATOM 0 HA ARG 1 64 -8.091 -21.910 6.868 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -5.649 -23.144 6.092 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -6.577 -24.399 6.887 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -7.010 -24.366 4.465 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -8.469 -24.024 5.373 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -8.623 -22.321 3.841 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -7.665 -21.491 5.051 1.00 0.00 H new ATOM 0 HE ARG 1 64 -5.865 -21.441 3.582 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -8.222 -23.853 2.515 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -7.388 -24.155 0.987 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -4.808 -21.839 1.618 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -5.466 -23.021 0.482 1.00 0.00 H new ATOM 896 N GLY 1 65 -8.631 -22.458 9.342 1.00 0.00 N ATOM 897 CA GLY 1 65 -9.149 -23.059 10.561 1.00 0.00 C ATOM 898 C GLY 1 65 -9.778 -22.049 11.503 1.00 0.00 C ATOM 899 O GLY 1 65 -10.655 -22.396 12.295 1.00 0.00 O ATOM 0 H GLY 1 65 -9.017 -21.542 9.114 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -9.891 -23.814 10.300 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -8.339 -23.573 11.078 1.00 0.00 H new ATOM 903 N ASP 1 66 -9.319 -20.802 11.426 1.00 0.00 N ATOM 904 CA ASP 1 66 -9.825 -19.727 12.283 1.00 0.00 C ATOM 905 C ASP 1 66 -9.127 -19.762 13.636 1.00 0.00 C ATOM 906 O ASP 1 66 -9.668 -20.260 14.623 1.00 0.00 O ATOM 907 CB ASP 1 66 -11.344 -19.826 12.464 1.00 0.00 C ATOM 908 CG ASP 1 66 -12.036 -18.489 12.283 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -11.568 -17.493 12.873 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -13.047 -18.439 11.550 1.00 0.00 O ATOM 0 H ASP 1 66 -8.592 -20.507 10.774 1.00 0.00 H new ATOM 0 HA ASP 1 66 -9.608 -18.777 11.795 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -11.747 -20.541 11.746 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -11.564 -20.214 13.458 1.00 0.00 H new ATOM 915 N TRP 1 67 -7.909 -19.244 13.655 1.00 0.00 N ATOM 916 CA TRP 1 67 -7.092 -19.218 14.862 1.00 0.00 C ATOM 917 C TRP 1 67 -6.716 -17.791 15.239 1.00 0.00 C ATOM 918 O TRP 1 67 -7.179 -17.250 16.243 1.00 0.00 O ATOM 919 CB TRP 1 67 -5.821 -20.041 14.629 1.00 0.00 C ATOM 920 CG TRP 1 67 -5.642 -20.449 13.194 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -5.417 -19.630 12.120 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -5.692 -21.779 12.673 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -5.337 -20.367 10.974 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -5.490 -21.692 11.285 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -5.885 -23.033 13.249 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -5.476 -22.815 10.465 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -5.871 -24.150 12.436 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -5.666 -24.034 11.056 1.00 0.00 C ATOM 0 H TRP 1 67 -7.459 -18.831 12.838 1.00 0.00 H new ATOM 0 HA TRP 1 67 -7.669 -19.645 15.682 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -4.955 -19.460 14.947 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -5.853 -20.934 15.254 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -5.317 -18.556 12.172 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -5.187 -19.992 10.037 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -6.043 -23.130 14.313 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -5.321 -22.728 9.400 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -6.020 -25.127 12.871 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -5.658 -24.925 10.446 1.00 0.00 H new ATOM 939 N ASN 1 68 -5.868 -17.199 14.413 1.00 0.00 N ATOM 940 CA ASN 1 68 -5.398 -15.838 14.619 1.00 0.00 C ATOM 941 C ASN 1 68 -6.030 -14.901 13.597 1.00 0.00 C ATOM 942 O ASN 1 68 -6.252 -13.722 13.872 1.00 0.00 O ATOM 943 CB ASN 1 68 -3.874 -15.783 14.499 1.00 0.00 C ATOM 944 CG ASN 1 68 -3.192 -16.970 15.154 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -2.692 -16.874 16.274 1.00 0.00 O ATOM 946 ND2 ASN 1 68 -3.170 -18.098 14.453 1.00 0.00 N ATOM 0 H ASN 1 68 -5.486 -17.648 13.581 1.00 0.00 H new ATOM 0 HA ASN 1 68 -5.688 -15.518 15.620 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -3.598 -15.746 13.445 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -3.511 -14.863 14.956 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -2.726 -18.930 14.840 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -3.597 -18.132 13.528 1.00 0.00 H new ATOM 953 N ASP 1 69 -6.317 -15.441 12.416 1.00 0.00 N ATOM 954 CA ASP 1 69 -6.928 -14.668 11.343 1.00 0.00 C ATOM 955 C ASP 1 69 -6.017 -13.541 10.884 1.00 0.00 C ATOM 956 O ASP 1 69 -5.562 -12.726 11.687 1.00 0.00 O ATOM 957 CB ASP 1 69 -8.263 -14.089 11.800 1.00 0.00 C ATOM 958 CG ASP 1 69 -9.367 -15.128 11.833 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -9.275 -16.116 11.074 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -10.323 -14.954 12.617 1.00 0.00 O ATOM 0 H ASP 1 69 -6.134 -16.416 12.179 1.00 0.00 H new ATOM 0 HA ASP 1 69 -7.092 -15.343 10.503 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -8.146 -13.656 12.794 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -8.552 -13.278 11.131 1.00 0.00 H new ATOM 965 N ASP 1 70 -5.766 -13.499 9.584 1.00 0.00 N ATOM 966 CA ASP 1 70 -4.918 -12.472 9.002 1.00 0.00 C ATOM 967 C ASP 1 70 -5.700 -11.176 8.824 1.00 0.00 C ATOM 968 O ASP 1 70 -6.739 -11.150 8.160 1.00 0.00 O ATOM 969 CB ASP 1 70 -4.360 -12.959 7.667 1.00 0.00 C ATOM 970 CG ASP 1 70 -3.708 -14.324 7.779 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -4.415 -15.293 8.126 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -2.490 -14.423 7.519 1.00 0.00 O ATOM 0 H ASP 1 70 -6.140 -14.168 8.911 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.085 -12.272 9.676 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -5.165 -13.002 6.933 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -3.630 -12.239 7.297 1.00 0.00 H new ATOM 977 N TYR 1 71 -5.216 -10.106 9.449 1.00 0.00 N ATOM 978 CA TYR 1 71 -5.904 -8.823 9.386 1.00 0.00 C ATOM 979 C TYR 1 71 -5.003 -7.674 8.973 1.00 0.00 C ATOM 980 O TYR 1 71 -3.782 -7.732 9.108 1.00 0.00 O ATOM 981 CB TYR 1 71 -6.505 -8.507 10.746 1.00 0.00 C ATOM 982 CG TYR 1 71 -7.791 -9.235 10.998 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -8.966 -8.800 10.417 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -7.826 -10.359 11.803 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -10.153 -9.460 10.633 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -9.006 -11.032 12.027 1.00 0.00 C ATOM 987 CZ TYR 1 71 -10.172 -10.579 11.441 1.00 0.00 C ATOM 988 OH TYR 1 71 -11.355 -11.247 11.662 1.00 0.00 O ATOM 0 H TYR 1 71 -4.358 -10.102 10.000 1.00 0.00 H new ATOM 0 HA TYR 1 71 -6.674 -8.920 8.621 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -5.787 -8.767 11.524 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -6.680 -7.434 10.820 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -8.952 -7.926 9.782 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -6.915 -10.714 12.262 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -11.064 -9.105 10.174 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -9.020 -11.909 12.657 1.00 0.00 H new ATOM 0 HH TYR 1 71 -11.193 -12.012 12.252 1.00 0.00 H new ATOM 998 N CYS 1 72 -5.644 -6.614 8.493 1.00 0.00 N ATOM 999 CA CYS 1 72 -4.949 -5.407 8.076 1.00 0.00 C ATOM 1000 C CYS 1 72 -4.774 -4.474 9.269 1.00 0.00 C ATOM 1001 O CYS 1 72 -5.241 -4.772 10.369 1.00 0.00 O ATOM 1002 CB CYS 1 72 -5.734 -4.703 6.969 1.00 0.00 C ATOM 1003 SG CYS 1 72 -5.126 -5.056 5.289 1.00 0.00 S ATOM 0 H CYS 1 72 -6.657 -6.570 8.383 1.00 0.00 H new ATOM 0 HA CYS 1 72 -3.967 -5.678 7.689 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -6.781 -5.000 7.035 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 -5.696 -3.627 7.139 1.00 0.00 H new ATOM 1008 N THR 1 73 -4.104 -3.348 9.057 1.00 0.00 N ATOM 1009 CA THR 1 73 -3.879 -2.390 10.134 1.00 0.00 C ATOM 1010 C THR 1 73 -4.314 -0.977 9.739 1.00 0.00 C ATOM 1011 O THR 1 73 -4.222 -0.049 10.542 1.00 0.00 O ATOM 1012 CB THR 1 73 -2.406 -2.394 10.539 1.00 0.00 C ATOM 1013 OG1 THR 1 73 -1.583 -2.025 9.447 1.00 0.00 O ATOM 1014 CG2 THR 1 73 -1.933 -3.744 11.036 1.00 0.00 C ATOM 0 H THR 1 73 -3.709 -3.076 8.157 1.00 0.00 H new ATOM 0 HA THR 1 73 -4.490 -2.697 10.983 1.00 0.00 H new ATOM 0 HB THR 1 73 -2.325 -1.672 11.352 1.00 0.00 H new ATOM 0 HG1 THR 1 73 -0.644 -2.032 9.728 1.00 0.00 H new ATOM 0 HG21 THR 1 73 -0.879 -3.683 11.308 1.00 0.00 H new ATOM 0 HG22 THR 1 73 -2.517 -4.035 11.909 1.00 0.00 H new ATOM 0 HG23 THR 1 73 -2.062 -4.487 10.249 1.00 0.00 H new ATOM 1022 N GLY 1 74 -4.789 -0.817 8.506 1.00 0.00 N ATOM 1023 CA GLY 1 74 -5.230 0.489 8.045 1.00 0.00 C ATOM 1024 C GLY 1 74 -4.152 1.550 8.166 1.00 0.00 C ATOM 1025 O GLY 1 74 -4.448 2.745 8.168 1.00 0.00 O ATOM 0 H GLY 1 74 -4.876 -1.566 7.819 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 -5.545 0.415 7.004 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 -6.103 0.797 8.621 1.00 0.00 H new ATOM 1029 N LYS 1 75 -2.900 1.116 8.265 1.00 0.00 N ATOM 1030 CA LYS 1 75 -1.776 2.038 8.384 1.00 0.00 C ATOM 1031 C LYS 1 75 -0.806 1.862 7.221 1.00 0.00 C ATOM 1032 O LYS 1 75 -0.187 2.822 6.762 1.00 0.00 O ATOM 1033 CB LYS 1 75 -1.047 1.819 9.710 1.00 0.00 C ATOM 1034 CG LYS 1 75 -1.749 2.449 10.902 1.00 0.00 C ATOM 1035 CD LYS 1 75 -0.752 3.016 11.900 1.00 0.00 C ATOM 1036 CE LYS 1 75 -0.510 2.054 13.052 1.00 0.00 C ATOM 1037 NZ LYS 1 75 0.642 1.148 12.788 1.00 0.00 N ATOM 0 H LYS 1 75 -2.638 0.130 8.265 1.00 0.00 H new ATOM 0 HA LYS 1 75 -2.167 3.055 8.358 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 -0.942 0.748 9.885 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 -0.040 2.229 9.633 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 -2.412 3.243 10.557 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 -2.374 1.703 11.394 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 0.191 3.225 11.395 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 -1.123 3.964 12.288 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 -0.324 2.620 13.965 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 -1.407 1.459 13.223 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 0.773 0.508 13.597 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 0.455 0.589 11.931 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 1.504 1.713 12.650 1.00 0.00 H new ATOM 1051 N SER 1 76 -0.680 0.626 6.748 1.00 0.00 N ATOM 1052 CA SER 1 76 0.211 0.318 5.638 1.00 0.00 C ATOM 1053 C SER 1 76 -0.459 -0.643 4.663 1.00 0.00 C ATOM 1054 O SER 1 76 -1.550 -1.149 4.927 1.00 0.00 O ATOM 1055 CB SER 1 76 1.515 -0.290 6.157 1.00 0.00 C ATOM 1056 OG SER 1 76 2.488 0.713 6.392 1.00 0.00 O ATOM 0 H SER 1 76 -1.185 -0.179 7.118 1.00 0.00 H new ATOM 0 HA SER 1 76 0.437 1.246 5.113 1.00 0.00 H new ATOM 0 HB2 SER 1 76 1.323 -0.837 7.080 1.00 0.00 H new ATOM 0 HB3 SER 1 76 1.898 -1.010 5.433 1.00 0.00 H new ATOM 0 HG SER 1 76 3.311 0.298 6.725 1.00 0.00 H new ATOM 1062 N SER 1 77 0.201 -0.894 3.538 1.00 0.00 N ATOM 1063 CA SER 1 77 -0.332 -1.800 2.525 1.00 0.00 C ATOM 1064 C SER 1 77 -0.057 -3.257 2.889 1.00 0.00 C ATOM 1065 O SER 1 77 -0.383 -4.166 2.124 1.00 0.00 O ATOM 1066 CB SER 1 77 0.268 -1.478 1.155 1.00 0.00 C ATOM 1067 OG SER 1 77 1.090 -0.325 1.212 1.00 0.00 O ATOM 0 H SER 1 77 1.105 -0.484 3.304 1.00 0.00 H new ATOM 0 HA SER 1 77 -1.412 -1.658 2.483 1.00 0.00 H new ATOM 0 HB2 SER 1 77 0.853 -2.328 0.803 1.00 0.00 H new ATOM 0 HB3 SER 1 77 -0.533 -1.321 0.432 1.00 0.00 H new ATOM 0 HG SER 1 77 0.554 0.445 1.494 1.00 0.00 H new ATOM 1073 N ASP 1 78 0.536 -3.477 4.059 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.841 -4.826 4.514 1.00 0.00 C ATOM 1075 C ASP 1 78 -0.249 -5.331 5.449 1.00 0.00 C ATOM 1076 O ASP 1 78 -0.792 -4.574 6.253 1.00 0.00 O ATOM 1077 CB ASP 1 78 2.198 -4.860 5.218 1.00 0.00 C ATOM 1078 CG ASP 1 78 3.352 -4.632 4.261 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 3.319 -5.195 3.147 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 4.287 -3.889 4.626 1.00 0.00 O ATOM 0 H ASP 1 78 0.814 -2.739 4.706 1.00 0.00 H new ATOM 0 HA ASP 1 78 0.885 -5.480 3.643 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 2.219 -4.098 5.997 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 2.324 -5.824 5.712 1.00 0.00 H new ATOM 1085 N CYS 1 79 -0.573 -6.612 5.330 1.00 0.00 N ATOM 1086 CA CYS 1 79 -1.611 -7.215 6.154 1.00 0.00 C ATOM 1087 C CYS 1 79 -1.067 -8.393 6.962 1.00 0.00 C ATOM 1088 O CYS 1 79 -0.849 -9.475 6.418 1.00 0.00 O ATOM 1089 CB CYS 1 79 -2.762 -7.682 5.265 1.00 0.00 C ATOM 1090 SG CYS 1 79 -4.071 -8.583 6.150 1.00 0.00 S ATOM 0 H CYS 1 79 -0.132 -7.253 4.671 1.00 0.00 H new ATOM 0 HA CYS 1 79 -1.969 -6.463 6.857 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -3.202 -6.814 4.774 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -2.362 -8.324 4.480 1.00 0.00 H new ATOM 1095 N PRO 1 80 -0.849 -8.206 8.278 1.00 0.00 N ATOM 1096 CA PRO 1 80 -0.340 -9.272 9.147 1.00 0.00 C ATOM 1097 C PRO 1 80 -1.278 -10.475 9.188 1.00 0.00 C ATOM 1098 O PRO 1 80 -2.436 -10.387 8.776 1.00 0.00 O ATOM 1099 CB PRO 1 80 -0.252 -8.612 10.528 1.00 0.00 C ATOM 1100 CG PRO 1 80 -1.146 -7.422 10.448 1.00 0.00 C ATOM 1101 CD PRO 1 80 -1.084 -6.957 9.022 1.00 0.00 C ATOM 0 HA PRO 1 80 0.615 -9.662 8.793 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 -0.575 -9.296 11.313 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 0.772 -8.321 10.761 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -2.167 -7.680 10.731 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 -0.815 -6.638 11.129 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 -2.011 -6.472 8.715 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 -0.281 -6.237 8.867 1.00 0.00 H new ATOM 1109 N TRP 1 81 -0.772 -11.597 9.688 1.00 0.00 N ATOM 1110 CA TRP 1 81 -1.560 -12.819 9.784 1.00 0.00 C ATOM 1111 C TRP 1 81 -2.182 -12.958 11.162 1.00 0.00 C ATOM 1112 O TRP 1 81 -3.281 -13.490 11.313 1.00 0.00 O ATOM 1113 CB TRP 1 81 -0.691 -14.054 9.547 1.00 0.00 C ATOM 1114 CG TRP 1 81 0.261 -13.958 8.397 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 1.124 -12.940 8.099 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 0.459 -14.956 7.400 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 1.840 -13.250 6.968 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 1.447 -14.485 6.522 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -0.113 -16.205 7.170 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 1.879 -15.225 5.427 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 0.314 -16.942 6.082 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 1.303 -16.450 5.222 1.00 0.00 C ATOM 0 H TRP 1 81 0.184 -11.685 10.034 1.00 0.00 H new ATOM 0 HA TRP 1 81 -2.336 -12.751 9.022 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -0.120 -14.255 10.453 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -1.344 -14.911 9.385 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 1.227 -12.028 8.668 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 2.547 -12.658 6.532 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -0.876 -16.590 7.830 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 2.642 -14.847 4.762 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 -0.122 -17.912 5.892 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 1.618 -17.049 4.380 1.00 0.00 H new ATOM 1133 N ASN 1 82 -1.428 -12.521 12.163 1.00 0.00 N ATOM 1134 CA ASN 1 82 -1.822 -12.615 13.567 1.00 0.00 C ATOM 1135 C ASN 1 82 -1.227 -13.881 14.184 1.00 0.00 C ATOM 1136 O ASN 1 82 -1.472 -14.196 15.348 1.00 0.00 O ATOM 1137 CB ASN 1 82 -3.347 -12.617 13.728 1.00 0.00 C ATOM 1138 CG ASN 1 82 -3.780 -12.301 15.147 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -4.545 -13.049 15.756 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -3.292 -11.187 15.680 1.00 0.00 N ATOM 0 H ASN 1 82 -0.516 -12.086 12.024 1.00 0.00 H new ATOM 0 HA ASN 1 82 -1.437 -11.737 14.086 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -3.782 -11.886 13.047 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -3.739 -13.593 13.441 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -3.548 -10.922 16.631 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -2.661 -10.597 15.139 1.00 0.00 H new ATOM 1147 N HIS 1 83 -0.438 -14.601 13.382 1.00 0.00 N ATOM 1148 CA HIS 1 83 0.203 -15.833 13.822 1.00 0.00 C ATOM 1149 C HIS 1 83 1.556 -15.547 14.465 1.00 0.00 C ATOM 1150 O HIS 1 83 2.442 -15.013 13.764 1.00 0.00 O ATOM 1151 CB HIS 1 83 0.376 -16.777 12.629 1.00 0.00 C ATOM 1152 CG HIS 1 83 -0.923 -17.187 12.008 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -1.363 -18.493 11.969 1.00 0.00 N ATOM 1154 CD2 HIS 1 83 -1.885 -16.450 11.405 1.00 0.00 C ATOM 1155 CE1 HIS 1 83 -2.538 -18.540 11.368 1.00 0.00 C ATOM 1156 NE2 HIS 1 83 -2.877 -17.314 11.017 1.00 0.00 N ATOM 1157 OXT HIS 1 83 1.718 -15.857 15.664 1.00 0.00 O ATOM 0 H HIS 1 83 -0.230 -14.345 12.417 1.00 0.00 H new ATOM 0 HA HIS 1 83 -0.433 -16.306 14.571 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 0.994 -16.290 11.875 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 0.913 -17.668 12.954 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -1.874 -15.380 11.257 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -3.123 -19.431 11.193 1.00 0.00 H new ATOM 0 HE2 HIS 1 83 -3.737 -17.052 10.535 1.00 0.00 H new TER 1166 HIS 1 83