USER MOD reduce.3.24.130724 H: found=0, std=0, add=533, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 533 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= -2.38 K(o=-13,f=-9.2) USER MOD Set 1.2: 1 83 HIS : no HD1:sc= -10.5! C(o=-13!,f=-9.2!) USER MOD Set 2.1: 1 37 THR OG1 : rot -146:sc= 0.317 USER MOD Set 2.2: 1 40 SER OG : rot -95:sc= 1.31 USER MOD Single : 1 7 ASN : amide:sc= -1.39 K(o=-1.4,f=-2.3!) USER MOD Single : 1 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 20 SER OG : rot 180:sc= 0 USER MOD Single : 1 23 ASN : amide:sc= -0.342 X(o=-0.34,f=0) USER MOD Single : 1 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 30 ASN : amide:sc= -6.22! K(o=-6.2!,f=-0.73) USER MOD Single : 1 33 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 41 GLN : amide:sc= -0.256 X(o=-0.26,f=0) USER MOD Single : 1 43 ASN : amide:sc= -4.77 K(o=-4.8,f=-6.1!) 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 76:sc= 1.06 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+ 158:sc= -0.116 (180deg=-0.432) USER MOD Single : 1 76 SER OG : rot 180:sc= 0 USER MOD Single : 1 77 SER OG : rot 180:sc= 0 USER MOD Single : 1 82 ASN : amide:sc= -1.77 K(o=-1.8,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 28 N PRO 1 3 15.706 2.036 -9.019 1.00 0.00 N ATOM 29 CA PRO 1 3 14.909 2.572 -7.907 1.00 0.00 C ATOM 30 C PRO 1 3 15.008 4.092 -7.797 1.00 0.00 C ATOM 31 O PRO 1 3 15.510 4.623 -6.806 1.00 0.00 O ATOM 32 CB PRO 1 3 15.528 1.910 -6.673 1.00 0.00 C ATOM 33 CG PRO 1 3 16.912 1.547 -7.083 1.00 0.00 C ATOM 34 CD PRO 1 3 16.836 1.217 -8.545 1.00 0.00 C ATOM 0 HA PRO 1 3 13.847 2.364 -8.034 1.00 0.00 H new ATOM 0 HB2 PRO 1 3 15.534 2.591 -5.822 1.00 0.00 H new ATOM 0 HB3 PRO 1 3 14.962 1.029 -6.372 1.00 0.00 H new ATOM 0 HG2 PRO 1 3 17.601 2.372 -6.904 1.00 0.00 H new ATOM 0 HG3 PRO 1 3 17.279 0.696 -6.509 1.00 0.00 H new ATOM 0 HD2 PRO 1 3 17.761 1.470 -9.063 1.00 0.00 H new ATOM 0 HD3 PRO 1 3 16.659 0.154 -8.709 1.00 0.00 H new ATOM 42 N VAL 1 4 14.532 4.785 -8.823 1.00 0.00 N ATOM 43 CA VAL 1 4 14.571 6.242 -8.850 1.00 0.00 C ATOM 44 C VAL 1 4 13.177 6.841 -8.962 1.00 0.00 C ATOM 45 O VAL 1 4 12.276 6.239 -9.546 1.00 0.00 O ATOM 46 CB VAL 1 4 15.430 6.757 -10.019 1.00 0.00 C ATOM 47 CG1 VAL 1 4 15.671 8.252 -9.885 1.00 0.00 C ATOM 48 CG2 VAL 1 4 16.748 6.000 -10.088 1.00 0.00 C ATOM 0 H VAL 1 4 14.113 4.360 -9.650 1.00 0.00 H new ATOM 0 HA VAL 1 4 15.017 6.556 -7.906 1.00 0.00 H new ATOM 0 HB VAL 1 4 14.889 6.582 -10.949 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 16.280 8.599 -10.720 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 14.716 8.776 -9.890 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 16.191 8.454 -8.948 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 17.342 6.378 -10.920 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 17.298 6.141 -9.157 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 16.550 4.938 -10.236 1.00 0.00 H new ATOM 58 N CYS 1 5 13.013 8.044 -8.421 1.00 0.00 N ATOM 59 CA CYS 1 5 11.735 8.734 -8.487 1.00 0.00 C ATOM 60 C CYS 1 5 11.605 9.365 -9.861 1.00 0.00 C ATOM 61 O CYS 1 5 12.071 10.478 -10.104 1.00 0.00 O ATOM 62 CB CYS 1 5 11.637 9.802 -7.393 1.00 0.00 C ATOM 63 SG CYS 1 5 10.281 9.534 -6.205 1.00 0.00 S ATOM 0 H CYS 1 5 13.748 8.558 -7.934 1.00 0.00 H new ATOM 0 HA CYS 1 5 10.924 8.024 -8.325 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 12.581 9.836 -6.848 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 11.506 10.777 -7.863 1.00 0.00 H new ATOM 68 N GLY 1 6 11.002 8.611 -10.764 1.00 0.00 N ATOM 69 CA GLY 1 6 10.845 9.051 -12.130 1.00 0.00 C ATOM 70 C GLY 1 6 11.149 7.923 -13.095 1.00 0.00 C ATOM 71 O GLY 1 6 11.584 8.150 -14.224 1.00 0.00 O ATOM 0 H GLY 1 6 10.613 7.688 -10.570 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 9.827 9.407 -12.288 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 11.510 9.892 -12.325 1.00 0.00 H new ATOM 75 N ASN 1 7 10.913 6.698 -12.632 1.00 0.00 N ATOM 76 CA ASN 1 7 11.146 5.499 -13.418 1.00 0.00 C ATOM 77 C ASN 1 7 9.916 4.605 -13.358 1.00 0.00 C ATOM 78 O ASN 1 7 9.964 3.431 -13.726 1.00 0.00 O ATOM 79 CB ASN 1 7 12.365 4.744 -12.875 1.00 0.00 C ATOM 80 CG ASN 1 7 13.674 5.359 -13.331 1.00 0.00 C ATOM 81 OD1 ASN 1 7 13.707 6.144 -14.279 1.00 0.00 O ATOM 82 ND2 ASN 1 7 14.761 5.004 -12.657 1.00 0.00 N ATOM 0 H ASN 1 7 10.553 6.513 -11.696 1.00 0.00 H new ATOM 0 HA ASN 1 7 11.338 5.781 -14.453 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 12.330 4.737 -11.786 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 12.321 3.705 -13.202 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 15.670 5.385 -12.918 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 14.687 4.350 -11.878 1.00 0.00 H new ATOM 89 N LYS 1 8 8.820 5.176 -12.860 1.00 0.00 N ATOM 90 CA LYS 1 8 7.564 4.462 -12.704 1.00 0.00 C ATOM 91 C LYS 1 8 7.638 3.513 -11.513 1.00 0.00 C ATOM 92 O LYS 1 8 6.749 2.690 -11.297 1.00 0.00 O ATOM 93 CB LYS 1 8 7.181 3.709 -13.984 1.00 0.00 C ATOM 94 CG LYS 1 8 6.098 4.407 -14.792 1.00 0.00 C ATOM 95 CD LYS 1 8 6.405 4.380 -16.281 1.00 0.00 C ATOM 96 CE LYS 1 8 7.716 5.084 -16.595 1.00 0.00 C ATOM 97 NZ LYS 1 8 8.592 4.260 -17.473 1.00 0.00 N ATOM 0 H LYS 1 8 8.783 6.148 -12.554 1.00 0.00 H new ATOM 0 HA LYS 1 8 6.781 5.196 -12.514 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 8.068 3.589 -14.606 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 6.839 2.708 -13.720 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 5.138 3.924 -14.609 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 6.003 5.440 -14.458 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 6.455 3.347 -16.624 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 5.594 4.859 -16.829 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 7.509 6.037 -17.081 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 8.240 5.307 -15.666 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 9.475 4.775 -17.664 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 8.811 3.360 -16.999 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 8.102 4.068 -18.370 1.00 0.00 H new ATOM 111 N ILE 1 9 8.700 3.666 -10.727 1.00 0.00 N ATOM 112 CA ILE 1 9 8.906 2.870 -9.534 1.00 0.00 C ATOM 113 C ILE 1 9 8.816 3.775 -8.319 1.00 0.00 C ATOM 114 O ILE 1 9 9.147 4.956 -8.399 1.00 0.00 O ATOM 115 CB ILE 1 9 10.283 2.171 -9.543 1.00 0.00 C ATOM 116 CG1 ILE 1 9 10.383 1.206 -10.726 1.00 0.00 C ATOM 117 CG2 ILE 1 9 10.524 1.437 -8.230 1.00 0.00 C ATOM 118 CD1 ILE 1 9 11.210 1.744 -11.872 1.00 0.00 C ATOM 0 H ILE 1 9 9.439 4.347 -10.904 1.00 0.00 H new ATOM 0 HA ILE 1 9 8.137 2.098 -9.502 1.00 0.00 H new ATOM 0 HB ILE 1 9 11.055 2.933 -9.652 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 10.818 0.267 -10.384 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 9.380 0.980 -11.087 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 11.500 0.952 -8.258 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 10.496 2.149 -7.405 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 9.749 0.685 -8.086 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 11.239 1.009 -12.676 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 10.764 2.668 -12.240 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 12.224 1.944 -11.526 1.00 0.00 H new ATOM 130 N LEU 1 10 8.379 3.227 -7.201 1.00 0.00 N ATOM 131 CA LEU 1 10 8.259 4.012 -5.976 1.00 0.00 C ATOM 132 C LEU 1 10 9.636 4.297 -5.388 1.00 0.00 C ATOM 133 O LEU 1 10 9.887 4.033 -4.212 1.00 0.00 O ATOM 134 CB LEU 1 10 7.377 3.297 -4.945 1.00 0.00 C ATOM 135 CG LEU 1 10 7.263 1.784 -5.110 1.00 0.00 C ATOM 136 CD1 LEU 1 10 6.942 1.131 -3.777 1.00 0.00 C ATOM 137 CD2 LEU 1 10 6.204 1.448 -6.151 1.00 0.00 C ATOM 0 H LEU 1 10 8.102 2.250 -7.110 1.00 0.00 H new ATOM 0 HA LEU 1 10 7.783 4.959 -6.230 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 7.769 3.507 -3.950 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 6.376 3.726 -4.990 1.00 0.00 H new ATOM 0 HG LEU 1 10 8.219 1.393 -5.457 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 6.864 0.052 -3.910 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 7.736 1.352 -3.063 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 5.996 1.520 -3.400 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 6.132 0.366 -6.260 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 5.241 1.846 -5.832 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 6.480 1.891 -7.108 1.00 0.00 H new ATOM 149 N GLU 1 11 10.526 4.843 -6.223 1.00 0.00 N ATOM 150 CA GLU 1 11 11.885 5.174 -5.809 1.00 0.00 C ATOM 151 C GLU 1 11 12.411 4.171 -4.790 1.00 0.00 C ATOM 152 O GLU 1 11 12.478 4.457 -3.595 1.00 0.00 O ATOM 153 CB GLU 1 11 11.926 6.583 -5.233 1.00 0.00 C ATOM 154 CG GLU 1 11 13.289 6.973 -4.690 1.00 0.00 C ATOM 155 CD GLU 1 11 13.535 8.468 -4.742 1.00 0.00 C ATOM 156 OE1 GLU 1 11 13.018 9.186 -3.860 1.00 0.00 O ATOM 157 OE2 GLU 1 11 14.246 8.921 -5.664 1.00 0.00 O ATOM 0 H GLU 1 11 10.323 5.065 -7.198 1.00 0.00 H new ATOM 0 HA GLU 1 11 12.529 5.128 -6.687 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 11.635 7.293 -6.007 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 11.189 6.663 -4.434 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 13.376 6.631 -3.659 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 14.063 6.462 -5.262 1.00 0.00 H new ATOM 164 N GLN 1 12 12.771 2.993 -5.274 1.00 0.00 N ATOM 165 CA GLN 1 12 13.282 1.935 -4.408 1.00 0.00 C ATOM 166 C GLN 1 12 12.224 1.480 -3.403 1.00 0.00 C ATOM 167 O GLN 1 12 11.569 0.456 -3.599 1.00 0.00 O ATOM 168 CB GLN 1 12 14.548 2.398 -3.675 1.00 0.00 C ATOM 169 CG GLN 1 12 15.681 1.384 -3.724 1.00 0.00 C ATOM 170 CD GLN 1 12 15.851 0.637 -2.416 1.00 0.00 C ATOM 171 OE1 GLN 1 12 16.642 1.033 -1.560 1.00 0.00 O ATOM 172 NE2 GLN 1 12 15.109 -0.452 -2.256 1.00 0.00 N ATOM 0 H GLN 1 12 12.720 2.742 -6.261 1.00 0.00 H new ATOM 0 HA GLN 1 12 13.535 1.084 -5.040 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 14.890 3.335 -4.114 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 14.301 2.605 -2.634 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 15.490 0.669 -4.524 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 16.612 1.896 -3.970 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 14.466 -0.744 -2.992 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 15.182 -0.997 -1.397 1.00 0.00 H new ATOM 181 N GLY 1 13 12.063 2.245 -2.331 1.00 0.00 N ATOM 182 CA GLY 1 13 11.085 1.909 -1.312 1.00 0.00 C ATOM 183 C GLY 1 13 10.428 3.141 -0.727 1.00 0.00 C ATOM 184 O GLY 1 13 9.922 3.116 0.395 1.00 0.00 O ATOM 0 H GLY 1 13 12.594 3.096 -2.148 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 10.321 1.261 -1.742 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 11.571 1.345 -0.516 1.00 0.00 H new ATOM 188 N GLU 1 14 10.440 4.224 -1.496 1.00 0.00 N ATOM 189 CA GLU 1 14 9.850 5.485 -1.072 1.00 0.00 C ATOM 190 C GLU 1 14 8.383 5.296 -0.683 1.00 0.00 C ATOM 191 O GLU 1 14 7.912 5.870 0.299 1.00 0.00 O ATOM 192 CB GLU 1 14 10.006 6.505 -2.192 1.00 0.00 C ATOM 193 CG GLU 1 14 11.310 7.282 -2.105 1.00 0.00 C ATOM 194 CD GLU 1 14 11.386 8.161 -0.872 1.00 0.00 C ATOM 195 OE1 GLU 1 14 11.651 7.625 0.224 1.00 0.00 O ATOM 196 OE2 GLU 1 14 11.183 9.386 -1.003 1.00 0.00 O ATOM 0 H GLU 1 14 10.857 4.251 -2.426 1.00 0.00 H new ATOM 0 HA GLU 1 14 10.368 5.852 -0.186 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 9.957 5.993 -3.153 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 9.170 7.203 -2.160 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 12.146 6.582 -2.099 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 11.419 7.902 -2.995 1.00 0.00 H new ATOM 203 N ASP 1 15 7.687 4.456 -1.449 1.00 0.00 N ATOM 204 CA ASP 1 15 6.277 4.119 -1.202 1.00 0.00 C ATOM 205 C ASP 1 15 5.302 5.013 -1.962 1.00 0.00 C ATOM 206 O ASP 1 15 4.176 5.214 -1.511 1.00 0.00 O ATOM 207 CB ASP 1 15 5.954 4.166 0.296 1.00 0.00 C ATOM 208 CG ASP 1 15 4.922 3.129 0.697 1.00 0.00 C ATOM 209 OD1 ASP 1 15 4.018 2.845 -0.117 1.00 0.00 O ATOM 210 OD2 ASP 1 15 5.018 2.602 1.825 1.00 0.00 O ATOM 0 H ASP 1 15 8.083 3.986 -2.263 1.00 0.00 H new ATOM 0 HA ASP 1 15 6.146 3.103 -1.575 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 6.868 4.005 0.867 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 5.587 5.159 0.555 1.00 0.00 H new ATOM 215 N CYS 1 16 5.720 5.513 -3.127 1.00 0.00 N ATOM 216 CA CYS 1 16 4.859 6.356 -3.968 1.00 0.00 C ATOM 217 C CYS 1 16 5.679 7.219 -4.917 1.00 0.00 C ATOM 218 O CYS 1 16 6.429 8.097 -4.491 1.00 0.00 O ATOM 219 CB CYS 1 16 3.936 7.245 -3.127 1.00 0.00 C ATOM 220 SG CYS 1 16 2.219 6.642 -2.991 1.00 0.00 S ATOM 0 H CYS 1 16 6.650 5.350 -3.512 1.00 0.00 H new ATOM 0 HA CYS 1 16 4.241 5.678 -4.557 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 4.355 7.337 -2.125 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 3.923 8.245 -3.560 1.00 0.00 H new ATOM 225 N ASP 1 17 5.520 6.960 -6.210 1.00 0.00 N ATOM 226 CA ASP 1 17 6.230 7.708 -7.238 1.00 0.00 C ATOM 227 C ASP 1 17 5.567 7.520 -8.597 1.00 0.00 C ATOM 228 O ASP 1 17 4.802 6.578 -8.804 1.00 0.00 O ATOM 229 CB ASP 1 17 7.691 7.266 -7.311 1.00 0.00 C ATOM 230 CG ASP 1 17 8.461 7.980 -8.406 1.00 0.00 C ATOM 231 OD1 ASP 1 17 8.447 9.229 -8.425 1.00 0.00 O ATOM 232 OD2 ASP 1 17 9.072 7.290 -9.249 1.00 0.00 O ATOM 0 H ASP 1 17 4.902 6.233 -6.571 1.00 0.00 H new ATOM 0 HA ASP 1 17 6.192 8.764 -6.972 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 8.172 7.454 -6.351 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 7.734 6.191 -7.484 1.00 0.00 H new ATOM 237 N CYS 1 18 5.873 8.421 -9.520 1.00 0.00 N ATOM 238 CA CYS 1 18 5.318 8.362 -10.863 1.00 0.00 C ATOM 239 C CYS 1 18 6.399 8.640 -11.904 1.00 0.00 C ATOM 240 O CYS 1 18 7.424 9.250 -11.599 1.00 0.00 O ATOM 241 CB CYS 1 18 4.176 9.369 -11.008 1.00 0.00 C ATOM 242 SG CYS 1 18 4.551 11.020 -10.330 1.00 0.00 S ATOM 0 H CYS 1 18 6.506 9.205 -9.361 1.00 0.00 H new ATOM 0 HA CYS 1 18 4.927 7.358 -11.030 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 3.926 9.470 -12.064 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 3.292 8.974 -10.507 1.00 0.00 H new ATOM 247 N GLY 1 19 6.165 8.183 -13.132 1.00 0.00 N ATOM 248 CA GLY 1 19 7.123 8.381 -14.209 1.00 0.00 C ATOM 249 C GLY 1 19 7.720 9.777 -14.227 1.00 0.00 C ATOM 250 O GLY 1 19 8.941 9.935 -14.218 1.00 0.00 O ATOM 0 H GLY 1 19 5.323 7.675 -13.402 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 7.926 7.650 -14.112 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 6.632 8.190 -15.163 1.00 0.00 H new ATOM 254 N SER 1 20 6.862 10.791 -14.254 1.00 0.00 N ATOM 255 CA SER 1 20 7.322 12.175 -14.272 1.00 0.00 C ATOM 256 C SER 1 20 6.477 13.042 -13.341 1.00 0.00 C ATOM 257 O SER 1 20 5.252 12.953 -13.347 1.00 0.00 O ATOM 258 CB SER 1 20 7.270 12.733 -15.695 1.00 0.00 C ATOM 259 OG SER 1 20 8.498 12.527 -16.370 1.00 0.00 O ATOM 0 H SER 1 20 5.848 10.682 -14.264 1.00 0.00 H new ATOM 0 HA SER 1 20 8.353 12.194 -13.920 1.00 0.00 H new ATOM 0 HB2 SER 1 20 6.463 12.252 -16.248 1.00 0.00 H new ATOM 0 HB3 SER 1 20 7.044 13.799 -15.663 1.00 0.00 H new ATOM 0 HG SER 1 20 8.437 12.891 -17.278 1.00 0.00 H new ATOM 265 N PRO 1 21 7.118 13.899 -12.526 1.00 0.00 N ATOM 266 CA PRO 1 21 6.405 14.781 -11.595 1.00 0.00 C ATOM 267 C PRO 1 21 5.457 15.739 -12.310 1.00 0.00 C ATOM 268 O PRO 1 21 4.561 16.314 -11.692 1.00 0.00 O ATOM 269 CB PRO 1 21 7.528 15.561 -10.897 1.00 0.00 C ATOM 270 CG PRO 1 21 8.710 15.426 -11.795 1.00 0.00 C ATOM 271 CD PRO 1 21 8.576 14.081 -12.446 1.00 0.00 C ATOM 0 HA PRO 1 21 5.775 14.215 -10.909 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 7.255 16.607 -10.759 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 7.736 15.153 -9.908 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 8.728 16.221 -12.540 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 9.640 15.497 -11.231 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 9.040 14.061 -13.432 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 9.049 13.297 -11.855 1.00 0.00 H new ATOM 279 N ALA 1 22 5.658 15.909 -13.614 1.00 0.00 N ATOM 280 CA ALA 1 22 4.818 16.799 -14.405 1.00 0.00 C ATOM 281 C ALA 1 22 3.575 16.077 -14.908 1.00 0.00 C ATOM 282 O ALA 1 22 2.486 16.651 -14.950 1.00 0.00 O ATOM 283 CB ALA 1 22 5.607 17.372 -15.572 1.00 0.00 C ATOM 0 H ALA 1 22 6.395 15.442 -14.143 1.00 0.00 H new ATOM 0 HA ALA 1 22 4.495 17.618 -13.763 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 4.966 18.035 -16.154 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 6.461 17.933 -15.193 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 5.960 16.559 -16.207 1.00 0.00 H new ATOM 289 N ASN 1 23 3.742 14.816 -15.286 1.00 0.00 N ATOM 290 CA ASN 1 23 2.630 14.017 -15.783 1.00 0.00 C ATOM 291 C ASN 1 23 1.983 13.235 -14.648 1.00 0.00 C ATOM 292 O ASN 1 23 0.762 13.229 -14.502 1.00 0.00 O ATOM 293 CB ASN 1 23 3.109 13.058 -16.874 1.00 0.00 C ATOM 294 CG ASN 1 23 3.725 13.784 -18.053 1.00 0.00 C ATOM 295 OD1 ASN 1 23 3.092 13.949 -19.096 1.00 0.00 O ATOM 296 ND2 ASN 1 23 4.969 14.224 -17.894 1.00 0.00 N ATOM 0 H ASN 1 23 4.636 14.325 -15.258 1.00 0.00 H new ATOM 0 HA ASN 1 23 1.887 14.692 -16.208 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 3.841 12.369 -16.452 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 2.268 12.457 -17.220 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 5.435 14.720 -18.653 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 5.457 14.066 -17.013 1.00 0.00 H new ATOM 303 N CYS 1 24 2.825 12.585 -13.848 1.00 0.00 N ATOM 304 CA CYS 1 24 2.382 11.787 -12.703 1.00 0.00 C ATOM 305 C CYS 1 24 1.059 11.070 -12.969 1.00 0.00 C ATOM 306 O CYS 1 24 -0.014 11.666 -12.875 1.00 0.00 O ATOM 307 CB CYS 1 24 2.259 12.663 -11.458 1.00 0.00 C ATOM 308 SG CYS 1 24 2.727 11.813 -9.915 1.00 0.00 S ATOM 0 H CYS 1 24 3.837 12.596 -13.974 1.00 0.00 H new ATOM 0 HA CYS 1 24 3.140 11.022 -12.537 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 2.887 13.545 -11.582 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 1.231 13.014 -11.372 1.00 0.00 H new ATOM 313 N GLN 1 25 1.145 9.783 -13.287 1.00 0.00 N ATOM 314 CA GLN 1 25 -0.043 8.981 -13.555 1.00 0.00 C ATOM 315 C GLN 1 25 -0.524 8.278 -12.287 1.00 0.00 C ATOM 316 O GLN 1 25 -1.000 7.144 -12.337 1.00 0.00 O ATOM 317 CB GLN 1 25 0.249 7.947 -14.645 1.00 0.00 C ATOM 318 CG GLN 1 25 1.284 6.911 -14.240 1.00 0.00 C ATOM 319 CD GLN 1 25 2.254 6.587 -15.359 1.00 0.00 C ATOM 320 OE1 GLN 1 25 2.042 5.649 -16.127 1.00 0.00 O ATOM 321 NE2 GLN 1 25 3.326 7.365 -15.457 1.00 0.00 N ATOM 0 H GLN 1 25 2.025 9.273 -13.365 1.00 0.00 H new ATOM 0 HA GLN 1 25 -0.832 9.650 -13.900 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 -0.678 7.438 -14.909 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 0.595 8.463 -15.540 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 1.840 7.277 -13.377 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 0.776 5.998 -13.929 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 3.462 8.132 -14.798 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 4.014 7.196 -16.191 1.00 0.00 H new ATOM 330 N ASP 1 26 -0.399 8.961 -11.153 1.00 0.00 N ATOM 331 CA ASP 1 26 -0.822 8.406 -9.874 1.00 0.00 C ATOM 332 C ASP 1 26 -1.264 9.517 -8.928 1.00 0.00 C ATOM 333 O ASP 1 26 -0.441 10.139 -8.258 1.00 0.00 O ATOM 334 CB ASP 1 26 0.314 7.601 -9.240 1.00 0.00 C ATOM 335 CG ASP 1 26 0.890 6.568 -10.189 1.00 0.00 C ATOM 336 OD1 ASP 1 26 0.155 5.628 -10.559 1.00 0.00 O ATOM 337 OD2 ASP 1 26 2.075 6.699 -10.562 1.00 0.00 O ATOM 0 H ASP 1 26 -0.007 9.901 -11.095 1.00 0.00 H new ATOM 0 HA ASP 1 26 -1.668 7.742 -10.053 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 1.105 8.281 -8.924 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 -0.054 7.102 -8.344 1.00 0.00 H new ATOM 342 N ARG 1 27 -2.567 9.764 -8.885 1.00 0.00 N ATOM 343 CA ARG 1 27 -3.119 10.805 -8.027 1.00 0.00 C ATOM 344 C ARG 1 27 -2.865 10.502 -6.552 1.00 0.00 C ATOM 345 O ARG 1 27 -2.923 11.397 -5.709 1.00 0.00 O ATOM 346 CB ARG 1 27 -4.619 10.956 -8.282 1.00 0.00 C ATOM 347 CG ARG 1 27 -5.433 9.736 -7.878 1.00 0.00 C ATOM 348 CD ARG 1 27 -5.799 8.885 -9.084 1.00 0.00 C ATOM 349 NE ARG 1 27 -5.725 7.456 -8.788 1.00 0.00 N ATOM 350 CZ ARG 1 27 -5.705 6.506 -9.720 1.00 0.00 C ATOM 351 NH1 ARG 1 27 -5.752 6.828 -11.007 1.00 0.00 N ATOM 352 NH2 ARG 1 27 -5.636 5.230 -9.365 1.00 0.00 N ATOM 0 H ARG 1 27 -3.262 9.258 -9.434 1.00 0.00 H new ATOM 0 HA ARG 1 27 -2.617 11.742 -8.269 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 -4.986 11.824 -7.735 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 -4.780 11.155 -9.341 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 -4.864 9.136 -7.168 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 -6.342 10.056 -7.368 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 -6.808 9.136 -9.412 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 -5.128 9.119 -9.910 1.00 0.00 H new ATOM 0 HE ARG 1 27 -5.686 7.170 -7.810 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 -5.804 7.808 -11.286 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 -5.736 6.096 -11.717 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 -5.598 4.977 -8.378 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 -5.621 4.502 -10.079 1.00 0.00 H new ATOM 366 N CYS 1 28 -2.586 9.239 -6.244 1.00 0.00 N ATOM 367 CA CYS 1 28 -2.327 8.830 -4.868 1.00 0.00 C ATOM 368 C CYS 1 28 -0.833 8.880 -4.550 1.00 0.00 C ATOM 369 O CYS 1 28 -0.443 9.049 -3.394 1.00 0.00 O ATOM 370 CB CYS 1 28 -2.870 7.420 -4.622 1.00 0.00 C ATOM 371 SG CYS 1 28 -3.900 7.268 -3.125 1.00 0.00 S ATOM 0 H CYS 1 28 -2.534 8.483 -6.927 1.00 0.00 H new ATOM 0 HA CYS 1 28 -2.839 9.529 -4.207 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 -3.458 7.113 -5.487 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 -2.031 6.728 -4.545 1.00 0.00 H new ATOM 376 N CYS 1 29 -0.002 8.734 -5.578 1.00 0.00 N ATOM 377 CA CYS 1 29 1.447 8.764 -5.400 1.00 0.00 C ATOM 378 C CYS 1 29 2.063 9.950 -6.131 1.00 0.00 C ATOM 379 O CYS 1 29 1.825 10.149 -7.321 1.00 0.00 O ATOM 380 CB CYS 1 29 2.076 7.469 -5.911 1.00 0.00 C ATOM 381 SG CYS 1 29 1.748 6.018 -4.864 1.00 0.00 S ATOM 0 H CYS 1 29 -0.306 8.594 -6.541 1.00 0.00 H new ATOM 0 HA CYS 1 29 1.648 8.866 -4.334 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 1.704 7.269 -6.916 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 3.154 7.609 -5.992 1.00 0.00 H new ATOM 386 N ASN 1 30 2.860 10.733 -5.414 1.00 0.00 N ATOM 387 CA ASN 1 30 3.510 11.895 -6.007 1.00 0.00 C ATOM 388 C ASN 1 30 5.022 11.697 -6.084 1.00 0.00 C ATOM 389 O ASN 1 30 5.663 11.314 -5.099 1.00 0.00 O ATOM 390 CB ASN 1 30 3.173 13.155 -5.207 1.00 0.00 C ATOM 391 CG ASN 1 30 3.815 14.401 -5.786 1.00 0.00 C ATOM 392 OD1 ASN 1 30 3.582 14.753 -6.943 1.00 0.00 O ATOM 393 ND2 ASN 1 30 4.628 15.074 -4.983 1.00 0.00 N ATOM 0 H ASN 1 30 3.071 10.586 -4.427 1.00 0.00 H new ATOM 0 HA ASN 1 30 3.135 12.015 -7.024 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 2.091 13.286 -5.181 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 3.503 13.026 -4.176 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 5.089 15.920 -5.317 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 4.792 14.745 -4.031 1.00 0.00 H new ATOM 400 N ALA 1 31 5.579 11.958 -7.267 1.00 0.00 N ATOM 401 CA ALA 1 31 7.012 11.816 -7.497 1.00 0.00 C ATOM 402 C ALA 1 31 7.789 12.937 -6.821 1.00 0.00 C ATOM 403 O ALA 1 31 8.838 12.708 -6.219 1.00 0.00 O ATOM 404 CB ALA 1 31 7.304 11.810 -8.990 1.00 0.00 C ATOM 0 H ALA 1 31 5.054 12.271 -8.083 1.00 0.00 H new ATOM 0 HA ALA 1 31 7.332 10.868 -7.064 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 8.377 11.704 -9.150 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 6.782 10.976 -9.459 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 6.962 12.746 -9.431 1.00 0.00 H new ATOM 410 N ALA 1 32 7.263 14.152 -6.927 1.00 0.00 N ATOM 411 CA ALA 1 32 7.898 15.322 -6.330 1.00 0.00 C ATOM 412 C ALA 1 32 8.130 15.134 -4.833 1.00 0.00 C ATOM 413 O ALA 1 32 8.928 15.849 -4.227 1.00 0.00 O ATOM 414 CB ALA 1 32 7.051 16.560 -6.580 1.00 0.00 C ATOM 0 H ALA 1 32 6.395 14.353 -7.423 1.00 0.00 H new ATOM 0 HA ALA 1 32 8.872 15.451 -6.802 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 7.534 17.428 -6.130 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 6.946 16.718 -7.653 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 6.065 16.422 -6.136 1.00 0.00 H new ATOM 420 N THR 1 33 7.430 14.172 -4.239 1.00 0.00 N ATOM 421 CA THR 1 33 7.565 13.898 -2.816 1.00 0.00 C ATOM 422 C THR 1 33 8.078 12.486 -2.590 1.00 0.00 C ATOM 423 O THR 1 33 8.656 12.184 -1.546 1.00 0.00 O ATOM 424 CB THR 1 33 6.217 14.065 -2.112 1.00 0.00 C ATOM 425 OG1 THR 1 33 6.383 14.072 -0.705 1.00 0.00 O ATOM 426 CG2 THR 1 33 5.228 12.967 -2.453 1.00 0.00 C ATOM 0 H THR 1 33 6.764 13.570 -4.723 1.00 0.00 H new ATOM 0 HA THR 1 33 8.280 14.608 -2.401 1.00 0.00 H new ATOM 0 HB THR 1 33 5.819 15.016 -2.466 1.00 0.00 H new ATOM 0 HG1 THR 1 33 5.510 14.181 -0.273 1.00 0.00 H new ATOM 0 HG21 THR 1 33 4.292 13.143 -1.922 1.00 0.00 H new ATOM 0 HG22 THR 1 33 5.042 12.966 -3.527 1.00 0.00 H new ATOM 0 HG23 THR 1 33 5.639 12.002 -2.155 1.00 0.00 H new ATOM 434 N CYS 1 34 7.836 11.615 -3.565 1.00 0.00 N ATOM 435 CA CYS 1 34 8.248 10.231 -3.454 1.00 0.00 C ATOM 436 C CYS 1 34 7.531 9.592 -2.277 1.00 0.00 C ATOM 437 O CYS 1 34 8.139 8.921 -1.444 1.00 0.00 O ATOM 438 CB CYS 1 34 9.762 10.135 -3.277 1.00 0.00 C ATOM 439 SG CYS 1 34 10.719 10.798 -4.679 1.00 0.00 S ATOM 0 H CYS 1 34 7.358 11.848 -4.436 1.00 0.00 H new ATOM 0 HA CYS 1 34 7.984 9.700 -4.369 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 10.046 10.671 -2.371 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 10.034 9.090 -3.127 1.00 0.00 H new ATOM 444 N LYS 1 35 6.227 9.830 -2.212 1.00 0.00 N ATOM 445 CA LYS 1 35 5.409 9.300 -1.132 1.00 0.00 C ATOM 446 C LYS 1 35 3.931 9.611 -1.379 1.00 0.00 C ATOM 447 O LYS 1 35 3.592 10.438 -2.227 1.00 0.00 O ATOM 448 CB LYS 1 35 5.878 9.884 0.212 1.00 0.00 C ATOM 449 CG LYS 1 35 4.758 10.383 1.116 1.00 0.00 C ATOM 450 CD LYS 1 35 5.306 10.990 2.397 1.00 0.00 C ATOM 451 CE LYS 1 35 4.336 11.995 2.997 1.00 0.00 C ATOM 452 NZ LYS 1 35 3.237 11.327 3.748 1.00 0.00 N ATOM 0 H LYS 1 35 5.714 10.387 -2.896 1.00 0.00 H new ATOM 0 HA LYS 1 35 5.522 8.216 -1.097 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 6.445 9.121 0.746 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 6.562 10.709 0.015 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 4.164 11.127 0.585 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 4.090 9.557 1.360 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 5.505 10.199 3.120 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 6.258 11.480 2.191 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 4.876 12.666 3.665 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 3.912 12.609 2.202 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 2.598 12.047 4.141 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 2.705 10.706 3.106 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 3.640 10.761 4.522 1.00 0.00 H new ATOM 466 N LEU 1 36 3.059 8.937 -0.635 1.00 0.00 N ATOM 467 CA LEU 1 36 1.618 9.132 -0.769 1.00 0.00 C ATOM 468 C LEU 1 36 1.244 10.606 -0.639 1.00 0.00 C ATOM 469 O LEU 1 36 1.620 11.271 0.325 1.00 0.00 O ATOM 470 CB LEU 1 36 0.873 8.314 0.288 1.00 0.00 C ATOM 471 CG LEU 1 36 0.758 6.818 -0.008 1.00 0.00 C ATOM 472 CD1 LEU 1 36 0.439 6.046 1.263 1.00 0.00 C ATOM 473 CD2 LEU 1 36 -0.303 6.565 -1.068 1.00 0.00 C ATOM 0 H LEU 1 36 3.326 8.249 0.069 1.00 0.00 H new ATOM 0 HA LEU 1 36 1.326 8.791 -1.762 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 1.379 8.441 1.245 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 -0.131 8.724 0.401 1.00 0.00 H new ATOM 0 HG LEU 1 36 1.717 6.468 -0.391 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 0.361 4.983 1.033 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 1.234 6.202 1.993 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 -0.506 6.399 1.675 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 -0.371 5.495 -1.266 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 -1.267 6.931 -0.713 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 -0.032 7.087 -1.986 1.00 0.00 H new ATOM 485 N THR 1 37 0.496 11.105 -1.618 1.00 0.00 N ATOM 486 CA THR 1 37 0.061 12.498 -1.617 1.00 0.00 C ATOM 487 C THR 1 37 -0.910 12.755 -0.467 1.00 0.00 C ATOM 488 O THR 1 37 -1.538 11.826 0.041 1.00 0.00 O ATOM 489 CB THR 1 37 -0.606 12.843 -2.952 1.00 0.00 C ATOM 490 OG1 THR 1 37 -1.944 12.377 -2.978 1.00 0.00 O ATOM 491 CG2 THR 1 37 0.107 12.257 -4.151 1.00 0.00 C ATOM 0 H THR 1 37 0.178 10.565 -2.423 1.00 0.00 H new ATOM 0 HA THR 1 37 0.937 13.133 -1.482 1.00 0.00 H new ATOM 0 HB THR 1 37 -0.563 13.930 -3.022 1.00 0.00 H new ATOM 0 HG1 THR 1 37 -2.177 12.101 -3.889 1.00 0.00 H new ATOM 0 HG21 THR 1 37 -0.420 12.541 -5.062 1.00 0.00 H new ATOM 0 HG22 THR 1 37 1.128 12.637 -4.189 1.00 0.00 H new ATOM 0 HG23 THR 1 37 0.127 11.170 -4.067 1.00 0.00 H new ATOM 499 N PRO 1 38 -1.053 14.023 -0.040 1.00 0.00 N ATOM 500 CA PRO 1 38 -1.957 14.392 1.051 1.00 0.00 C ATOM 501 C PRO 1 38 -3.332 13.749 0.897 1.00 0.00 C ATOM 502 O PRO 1 38 -4.053 14.022 -0.063 1.00 0.00 O ATOM 503 CB PRO 1 38 -2.060 15.924 0.947 1.00 0.00 C ATOM 504 CG PRO 1 38 -1.338 16.301 -0.308 1.00 0.00 C ATOM 505 CD PRO 1 38 -0.359 15.196 -0.579 1.00 0.00 C ATOM 0 HA PRO 1 38 -1.586 14.051 2.018 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 -3.101 16.243 0.909 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 -1.610 16.405 1.816 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 -2.035 16.415 -1.138 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 -0.824 17.255 -0.189 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 -0.149 15.091 -1.643 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 0.596 15.368 -0.082 1.00 0.00 H new ATOM 513 N GLY 1 39 -3.682 12.886 1.844 1.00 0.00 N ATOM 514 CA GLY 1 39 -4.963 12.207 1.793 1.00 0.00 C ATOM 515 C GLY 1 39 -4.854 10.811 1.207 1.00 0.00 C ATOM 516 O GLY 1 39 -5.847 10.238 0.761 1.00 0.00 O ATOM 0 H GLY 1 39 -3.101 12.644 2.647 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 -5.379 12.145 2.799 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 -5.660 12.795 1.196 1.00 0.00 H new ATOM 520 N SER 1 40 -3.641 10.264 1.209 1.00 0.00 N ATOM 521 CA SER 1 40 -3.400 8.929 0.675 1.00 0.00 C ATOM 522 C SER 1 40 -2.601 8.089 1.666 1.00 0.00 C ATOM 523 O SER 1 40 -1.511 8.477 2.085 1.00 0.00 O ATOM 524 CB SER 1 40 -2.650 9.018 -0.655 1.00 0.00 C ATOM 525 OG SER 1 40 -3.409 9.721 -1.623 1.00 0.00 O ATOM 0 H SER 1 40 -2.809 10.727 1.575 1.00 0.00 H new ATOM 0 HA SER 1 40 -4.364 8.448 0.509 1.00 0.00 H new ATOM 0 HB2 SER 1 40 -1.694 9.519 -0.504 1.00 0.00 H new ATOM 0 HB3 SER 1 40 -2.430 8.015 -1.020 1.00 0.00 H new ATOM 0 HG SER 1 40 -3.908 9.083 -2.174 1.00 0.00 H new ATOM 531 N GLN 1 41 -3.152 6.941 2.044 1.00 0.00 N ATOM 532 CA GLN 1 41 -2.487 6.055 2.992 1.00 0.00 C ATOM 533 C GLN 1 41 -2.078 4.740 2.334 1.00 0.00 C ATOM 534 O GLN 1 41 -1.081 4.129 2.717 1.00 0.00 O ATOM 535 CB GLN 1 41 -3.402 5.775 4.185 1.00 0.00 C ATOM 536 CG GLN 1 41 -3.730 7.012 5.004 1.00 0.00 C ATOM 537 CD GLN 1 41 -2.653 7.342 6.019 1.00 0.00 C ATOM 538 OE1 GLN 1 41 -2.800 7.068 7.210 1.00 0.00 O ATOM 539 NE2 GLN 1 41 -1.561 7.936 5.550 1.00 0.00 N ATOM 0 H GLN 1 41 -4.054 6.603 1.710 1.00 0.00 H new ATOM 0 HA GLN 1 41 -1.584 6.557 3.338 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 -4.330 5.332 3.824 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 -2.927 5.037 4.831 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 -3.865 7.861 4.334 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 -4.677 6.860 5.521 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 -1.481 8.145 4.555 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 -0.802 8.183 6.185 1.00 0.00 H new ATOM 548 N CYS 1 42 -2.858 4.304 1.351 1.00 0.00 N ATOM 549 CA CYS 1 42 -2.578 3.052 0.654 1.00 0.00 C ATOM 550 C CYS 1 42 -2.890 3.154 -0.835 1.00 0.00 C ATOM 551 O CYS 1 42 -4.052 3.214 -1.234 1.00 0.00 O ATOM 552 CB CYS 1 42 -3.387 1.921 1.272 1.00 0.00 C ATOM 553 SG CYS 1 42 -2.426 0.394 1.520 1.00 0.00 S ATOM 0 H CYS 1 42 -3.687 4.797 1.019 1.00 0.00 H new ATOM 0 HA CYS 1 42 -1.513 2.844 0.761 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 -3.784 2.251 2.232 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 -4.241 1.703 0.631 1.00 0.00 H new ATOM 558 N ASN 1 43 -1.843 3.156 -1.652 1.00 0.00 N ATOM 559 CA ASN 1 43 -2.002 3.232 -3.100 1.00 0.00 C ATOM 560 C ASN 1 43 -1.606 1.911 -3.761 1.00 0.00 C ATOM 561 O ASN 1 43 -1.667 1.776 -4.983 1.00 0.00 O ATOM 562 CB ASN 1 43 -1.158 4.373 -3.670 1.00 0.00 C ATOM 563 CG ASN 1 43 -1.250 4.462 -5.182 1.00 0.00 C ATOM 564 OD1 ASN 1 43 -2.261 4.899 -5.731 1.00 0.00 O ATOM 565 ND2 ASN 1 43 -0.191 4.040 -5.864 1.00 0.00 N ATOM 0 H ASN 1 43 -0.874 3.106 -1.336 1.00 0.00 H new ATOM 0 HA ASN 1 43 -3.053 3.426 -3.315 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 -1.485 5.316 -3.233 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 -0.117 4.231 -3.380 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 -0.196 4.071 -6.884 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 0.627 3.685 -5.368 1.00 0.00 H new ATOM 572 N TYR 1 44 -1.202 0.939 -2.947 1.00 0.00 N ATOM 573 CA TYR 1 44 -0.799 -0.367 -3.458 1.00 0.00 C ATOM 574 C TYR 1 44 -0.445 -1.297 -2.299 1.00 0.00 C ATOM 575 O TYR 1 44 0.458 -1.013 -1.513 1.00 0.00 O ATOM 576 CB TYR 1 44 0.377 -0.216 -4.438 1.00 0.00 C ATOM 577 CG TYR 1 44 1.680 -0.815 -3.956 1.00 0.00 C ATOM 578 CD1 TYR 1 44 1.830 -2.189 -3.839 1.00 0.00 C ATOM 579 CD2 TYR 1 44 2.755 -0.005 -3.616 1.00 0.00 C ATOM 580 CE1 TYR 1 44 3.011 -2.742 -3.394 1.00 0.00 C ATOM 581 CE2 TYR 1 44 3.943 -0.549 -3.172 1.00 0.00 C ATOM 582 CZ TYR 1 44 4.068 -1.919 -3.062 1.00 0.00 C ATOM 583 OH TYR 1 44 5.250 -2.466 -2.618 1.00 0.00 O ATOM 0 H TYR 1 44 -1.145 1.031 -1.933 1.00 0.00 H new ATOM 0 HA TYR 1 44 -1.631 -0.811 -4.003 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 0.106 -0.683 -5.385 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 0.532 0.844 -4.638 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 1.007 -2.837 -4.101 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 2.660 1.068 -3.700 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 3.109 -3.814 -3.305 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 4.771 0.094 -2.912 1.00 0.00 H new ATOM 0 HH TYR 1 44 5.891 -1.750 -2.429 1.00 0.00 H new ATOM 593 N GLY 1 45 -1.183 -2.395 -2.189 1.00 0.00 N ATOM 594 CA GLY 1 45 -0.958 -3.342 -1.112 1.00 0.00 C ATOM 595 C GLY 1 45 -2.244 -4.016 -0.665 1.00 0.00 C ATOM 596 O GLY 1 45 -3.338 -3.598 -1.045 1.00 0.00 O ATOM 0 H GLY 1 45 -1.936 -2.648 -2.829 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -0.247 -4.100 -1.439 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -0.506 -2.826 -0.265 1.00 0.00 H new ATOM 600 N GLU 1 46 -2.110 -5.065 0.138 1.00 0.00 N ATOM 601 CA GLU 1 46 -3.261 -5.816 0.630 1.00 0.00 C ATOM 602 C GLU 1 46 -4.247 -4.937 1.394 1.00 0.00 C ATOM 603 O GLU 1 46 -5.459 -5.042 1.207 1.00 0.00 O ATOM 604 CB GLU 1 46 -2.786 -6.944 1.544 1.00 0.00 C ATOM 605 CG GLU 1 46 -2.497 -8.244 0.812 1.00 0.00 C ATOM 606 CD GLU 1 46 -1.538 -8.061 -0.348 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -1.841 -7.248 -1.246 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -0.484 -8.730 -0.358 1.00 0.00 O ATOM 0 H GLU 1 46 -1.210 -5.417 0.464 1.00 0.00 H new ATOM 0 HA GLU 1 46 -3.779 -6.218 -0.241 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -1.884 -6.622 2.064 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -3.545 -7.127 2.305 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -2.079 -8.966 1.513 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -3.432 -8.664 0.442 1.00 0.00 H new ATOM 615 N CYS 1 47 -3.725 -4.102 2.281 1.00 0.00 N ATOM 616 CA CYS 1 47 -4.565 -3.241 3.108 1.00 0.00 C ATOM 617 C CYS 1 47 -5.167 -2.067 2.334 1.00 0.00 C ATOM 618 O CYS 1 47 -6.096 -1.421 2.815 1.00 0.00 O ATOM 619 CB CYS 1 47 -3.751 -2.717 4.288 1.00 0.00 C ATOM 620 SG CYS 1 47 -3.870 -3.746 5.782 1.00 0.00 S ATOM 0 H CYS 1 47 -2.724 -4.001 2.448 1.00 0.00 H new ATOM 0 HA CYS 1 47 -5.400 -3.849 3.457 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 -2.705 -2.645 3.991 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 -4.085 -1.707 4.527 1.00 0.00 H new ATOM 625 N CYS 1 48 -4.632 -1.769 1.157 1.00 0.00 N ATOM 626 CA CYS 1 48 -5.130 -0.644 0.372 1.00 0.00 C ATOM 627 C CYS 1 48 -6.536 -0.876 -0.162 1.00 0.00 C ATOM 628 O CYS 1 48 -6.925 -1.997 -0.490 1.00 0.00 O ATOM 629 CB CYS 1 48 -4.176 -0.338 -0.778 1.00 0.00 C ATOM 630 SG CYS 1 48 -2.430 -0.455 -0.309 1.00 0.00 S ATOM 0 H CYS 1 48 -3.862 -2.283 0.728 1.00 0.00 H new ATOM 0 HA CYS 1 48 -5.181 0.213 1.044 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 -4.372 -1.029 -1.598 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 -4.378 0.666 -1.152 1.00 0.00 H new ATOM 635 N ASP 1 49 -7.287 0.217 -0.240 1.00 0.00 N ATOM 636 CA ASP 1 49 -8.658 0.199 -0.728 1.00 0.00 C ATOM 637 C ASP 1 49 -9.202 1.623 -0.780 1.00 0.00 C ATOM 638 O ASP 1 49 -9.363 2.273 0.253 1.00 0.00 O ATOM 639 CB ASP 1 49 -9.537 -0.669 0.175 1.00 0.00 C ATOM 640 CG ASP 1 49 -10.953 -0.800 -0.351 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -11.580 0.242 -0.636 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -11.435 -1.945 -0.479 1.00 0.00 O ATOM 0 H ASP 1 49 -6.959 1.143 0.035 1.00 0.00 H new ATOM 0 HA ASP 1 49 -8.670 -0.227 -1.731 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -9.093 -1.660 0.266 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -9.562 -0.238 1.176 1.00 0.00 H new ATOM 647 N GLN 1 50 -9.465 2.113 -1.987 1.00 0.00 N ATOM 648 CA GLN 1 50 -9.973 3.469 -2.167 1.00 0.00 C ATOM 649 C GLN 1 50 -8.919 4.496 -1.754 1.00 0.00 C ATOM 650 O GLN 1 50 -9.247 5.578 -1.267 1.00 0.00 O ATOM 651 CB GLN 1 50 -11.258 3.674 -1.358 1.00 0.00 C ATOM 652 CG GLN 1 50 -12.521 3.633 -2.203 1.00 0.00 C ATOM 653 CD GLN 1 50 -13.071 5.015 -2.497 1.00 0.00 C ATOM 654 OE1 GLN 1 50 -14.224 5.315 -2.188 1.00 0.00 O ATOM 655 NE2 GLN 1 50 -12.246 5.864 -3.098 1.00 0.00 N ATOM 0 H GLN 1 50 -9.335 1.592 -2.854 1.00 0.00 H new ATOM 0 HA GLN 1 50 -10.201 3.611 -3.223 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 -11.320 2.904 -0.589 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 -11.205 4.634 -0.845 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 -12.309 3.123 -3.143 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 -13.280 3.046 -1.686 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 -11.298 5.572 -3.336 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 -12.560 6.808 -3.322 1.00 0.00 H new ATOM 664 N CYS 1 51 -7.652 4.143 -1.955 1.00 0.00 N ATOM 665 CA CYS 1 51 -6.537 5.023 -1.611 1.00 0.00 C ATOM 666 C CYS 1 51 -6.429 5.221 -0.098 1.00 0.00 C ATOM 667 O CYS 1 51 -5.865 6.213 0.366 1.00 0.00 O ATOM 668 CB CYS 1 51 -6.685 6.377 -2.310 1.00 0.00 C ATOM 669 SG CYS 1 51 -5.670 6.551 -3.815 1.00 0.00 S ATOM 0 H CYS 1 51 -7.370 3.249 -2.357 1.00 0.00 H new ATOM 0 HA CYS 1 51 -5.620 4.545 -1.956 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 -7.733 6.526 -2.572 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 -6.416 7.167 -1.609 1.00 0.00 H new ATOM 674 N ARG 1 52 -6.964 4.272 0.665 1.00 0.00 N ATOM 675 CA ARG 1 52 -6.918 4.347 2.123 1.00 0.00 C ATOM 676 C ARG 1 52 -6.732 2.958 2.727 1.00 0.00 C ATOM 677 O ARG 1 52 -7.162 1.960 2.149 1.00 0.00 O ATOM 678 CB ARG 1 52 -8.199 4.985 2.664 1.00 0.00 C ATOM 679 CG ARG 1 52 -7.969 5.882 3.869 1.00 0.00 C ATOM 680 CD ARG 1 52 -8.904 7.080 3.859 1.00 0.00 C ATOM 681 NE ARG 1 52 -8.352 8.213 4.598 1.00 0.00 N ATOM 682 CZ ARG 1 52 -8.781 9.466 4.464 1.00 0.00 C ATOM 683 NH1 ARG 1 52 -9.765 9.751 3.620 1.00 0.00 N ATOM 684 NH2 ARG 1 52 -8.223 10.436 5.175 1.00 0.00 N ATOM 0 H ARG 1 52 -7.434 3.444 0.299 1.00 0.00 H new ATOM 0 HA ARG 1 52 -6.067 4.967 2.406 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 -8.667 5.568 1.871 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 -8.901 4.197 2.937 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 -8.120 5.309 4.784 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 -6.935 6.226 3.875 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 -9.098 7.379 2.829 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 -9.862 6.796 4.294 1.00 0.00 H new ATOM 0 HE ARG 1 52 -7.593 8.033 5.255 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 -10.196 9.008 3.070 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 -10.090 10.713 3.521 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 -7.466 10.222 5.824 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 -8.551 11.396 5.073 1.00 0.00 H new ATOM 698 N PHE 1 53 -6.088 2.894 3.891 1.00 0.00 N ATOM 699 CA PHE 1 53 -5.855 1.616 4.553 1.00 0.00 C ATOM 700 C PHE 1 53 -7.166 0.945 4.913 1.00 0.00 C ATOM 701 O PHE 1 53 -8.145 1.607 5.258 1.00 0.00 O ATOM 702 CB PHE 1 53 -5.006 1.785 5.817 1.00 0.00 C ATOM 703 CG PHE 1 53 -3.565 2.095 5.538 1.00 0.00 C ATOM 704 CD1 PHE 1 53 -2.945 1.594 4.408 1.00 0.00 C ATOM 705 CD2 PHE 1 53 -2.830 2.884 6.406 1.00 0.00 C ATOM 706 CE1 PHE 1 53 -1.626 1.871 4.145 1.00 0.00 C ATOM 707 CE2 PHE 1 53 -1.503 3.167 6.149 1.00 0.00 C ATOM 708 CZ PHE 1 53 -0.898 2.659 5.015 1.00 0.00 C ATOM 0 H PHE 1 53 -5.722 3.705 4.390 1.00 0.00 H new ATOM 0 HA PHE 1 53 -5.311 0.986 3.849 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 -5.430 2.585 6.424 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 -5.064 0.871 6.408 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 -3.506 0.976 3.723 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 -3.299 3.282 7.293 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 -1.158 1.472 3.257 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 -0.939 3.784 6.833 1.00 0.00 H new ATOM 0 HZ PHE 1 53 0.140 2.877 4.810 1.00 0.00 H new ATOM 718 N LYS 1 54 -7.172 -0.374 4.836 1.00 0.00 N ATOM 719 CA LYS 1 54 -8.362 -1.144 5.162 1.00 0.00 C ATOM 720 C LYS 1 54 -8.627 -1.090 6.661 1.00 0.00 C ATOM 721 O LYS 1 54 -7.864 -1.641 7.452 1.00 0.00 O ATOM 722 CB LYS 1 54 -8.200 -2.595 4.705 1.00 0.00 C ATOM 723 CG LYS 1 54 -8.755 -2.859 3.316 1.00 0.00 C ATOM 724 CD LYS 1 54 -8.087 -4.061 2.668 1.00 0.00 C ATOM 725 CE LYS 1 54 -8.965 -4.672 1.589 1.00 0.00 C ATOM 726 NZ LYS 1 54 -8.851 -6.156 1.554 1.00 0.00 N ATOM 0 H LYS 1 54 -6.369 -0.934 4.551 1.00 0.00 H new ATOM 0 HA LYS 1 54 -9.213 -0.709 4.639 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -7.142 -2.856 4.720 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -8.701 -3.250 5.418 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -9.830 -3.029 3.379 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -8.607 -1.978 2.691 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -7.134 -3.759 2.235 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -7.868 -4.811 3.428 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -10.004 -4.392 1.765 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -8.684 -4.263 0.618 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -9.465 -6.534 0.805 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -7.865 -6.424 1.361 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -9.143 -6.548 2.472 1.00 0.00 H new ATOM 740 N LYS 1 55 -9.707 -0.414 7.048 1.00 0.00 N ATOM 741 CA LYS 1 55 -10.071 -0.278 8.458 1.00 0.00 C ATOM 742 C LYS 1 55 -9.756 -1.553 9.233 1.00 0.00 C ATOM 743 O LYS 1 55 -10.186 -2.645 8.853 1.00 0.00 O ATOM 744 CB LYS 1 55 -11.557 0.058 8.591 1.00 0.00 C ATOM 745 CG LYS 1 55 -11.997 0.311 10.024 1.00 0.00 C ATOM 746 CD LYS 1 55 -13.077 1.379 10.095 1.00 0.00 C ATOM 747 CE LYS 1 55 -12.482 2.756 10.340 1.00 0.00 C ATOM 748 NZ LYS 1 55 -12.326 3.044 11.793 1.00 0.00 N ATOM 0 H LYS 1 55 -10.347 0.049 6.403 1.00 0.00 H new ATOM 0 HA LYS 1 55 -9.480 0.534 8.880 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 -11.777 0.941 7.991 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 -12.145 -0.762 8.178 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 -12.371 -0.615 10.460 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 -11.138 0.620 10.620 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 -13.644 1.387 9.164 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 -13.778 1.137 10.894 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 -11.511 2.824 9.850 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 -13.121 3.513 9.886 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 -11.917 3.992 11.917 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 -13.256 3.005 12.257 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 -11.695 2.337 12.221 1.00 0.00 H new ATOM 762 N ALA 1 56 -8.991 -1.410 10.316 1.00 0.00 N ATOM 763 CA ALA 1 56 -8.612 -2.553 11.137 1.00 0.00 C ATOM 764 C ALA 1 56 -9.784 -3.506 11.308 1.00 0.00 C ATOM 765 O ALA 1 56 -10.871 -3.101 11.720 1.00 0.00 O ATOM 766 CB ALA 1 56 -8.108 -2.103 12.495 1.00 0.00 C ATOM 0 H ALA 1 56 -8.624 -0.516 10.642 1.00 0.00 H new ATOM 0 HA ALA 1 56 -7.806 -3.077 10.624 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 -7.832 -2.975 13.088 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 -7.236 -1.462 12.365 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 -8.893 -1.549 13.009 1.00 0.00 H new ATOM 772 N GLY 1 57 -9.566 -4.763 10.966 1.00 0.00 N ATOM 773 CA GLY 1 57 -10.627 -5.743 11.064 1.00 0.00 C ATOM 774 C GLY 1 57 -10.998 -6.297 9.705 1.00 0.00 C ATOM 775 O GLY 1 57 -11.777 -7.244 9.602 1.00 0.00 O ATOM 0 H GLY 1 57 -8.676 -5.124 10.623 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -10.312 -6.557 11.716 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -11.504 -5.287 11.524 1.00 0.00 H new ATOM 779 N THR 1 58 -10.421 -5.710 8.659 1.00 0.00 N ATOM 780 CA THR 1 58 -10.669 -6.154 7.297 1.00 0.00 C ATOM 781 C THR 1 58 -9.806 -7.371 6.977 1.00 0.00 C ATOM 782 O THR 1 58 -8.597 -7.246 6.781 1.00 0.00 O ATOM 783 CB THR 1 58 -10.356 -5.026 6.315 1.00 0.00 C ATOM 784 OG1 THR 1 58 -11.188 -3.905 6.554 1.00 0.00 O ATOM 785 CG2 THR 1 58 -10.528 -5.427 4.867 1.00 0.00 C ATOM 0 H THR 1 58 -9.777 -4.923 8.733 1.00 0.00 H new ATOM 0 HA THR 1 58 -11.720 -6.429 7.203 1.00 0.00 H new ATOM 0 HB THR 1 58 -9.307 -4.781 6.484 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -10.877 -3.431 7.353 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -10.290 -4.580 4.224 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -9.859 -6.256 4.637 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -11.559 -5.734 4.695 1.00 0.00 H new ATOM 793 N VAL 1 59 -10.423 -8.546 6.932 1.00 0.00 N ATOM 794 CA VAL 1 59 -9.690 -9.770 6.642 1.00 0.00 C ATOM 795 C VAL 1 59 -9.124 -9.749 5.226 1.00 0.00 C ATOM 796 O VAL 1 59 -9.869 -9.624 4.254 1.00 0.00 O ATOM 797 CB VAL 1 59 -10.576 -11.023 6.810 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -11.722 -11.011 5.810 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -9.744 -12.290 6.665 1.00 0.00 C ATOM 0 H VAL 1 59 -11.422 -8.676 7.092 1.00 0.00 H new ATOM 0 HA VAL 1 59 -8.872 -9.820 7.361 1.00 0.00 H new ATOM 0 HB VAL 1 59 -11.003 -11.008 7.813 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -12.333 -11.903 5.946 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -12.335 -10.124 5.969 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -11.321 -10.998 4.797 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -10.386 -13.163 6.787 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -9.284 -12.312 5.677 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -8.965 -12.303 7.428 1.00 0.00 H new ATOM 809 N CYS 1 60 -7.806 -9.873 5.114 1.00 0.00 N ATOM 810 CA CYS 1 60 -7.153 -9.866 3.804 1.00 0.00 C ATOM 811 C CYS 1 60 -6.436 -11.187 3.525 1.00 0.00 C ATOM 812 O CYS 1 60 -6.080 -11.475 2.382 1.00 0.00 O ATOM 813 CB CYS 1 60 -6.154 -8.706 3.686 1.00 0.00 C ATOM 814 SG CYS 1 60 -6.324 -7.414 4.959 1.00 0.00 S ATOM 0 H CYS 1 60 -7.171 -9.979 5.905 1.00 0.00 H new ATOM 0 HA CYS 1 60 -7.940 -9.734 3.061 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -5.143 -9.110 3.733 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -6.268 -8.246 2.705 1.00 0.00 H new ATOM 819 N ARG 1 61 -6.216 -11.983 4.567 1.00 0.00 N ATOM 820 CA ARG 1 61 -5.529 -13.264 4.413 1.00 0.00 C ATOM 821 C ARG 1 61 -5.945 -14.263 5.494 1.00 0.00 C ATOM 822 O ARG 1 61 -6.631 -13.913 6.454 1.00 0.00 O ATOM 823 CB ARG 1 61 -4.013 -13.056 4.448 1.00 0.00 C ATOM 824 CG ARG 1 61 -3.369 -13.036 3.071 1.00 0.00 C ATOM 825 CD ARG 1 61 -1.930 -13.525 3.120 1.00 0.00 C ATOM 826 NE ARG 1 61 -1.181 -12.919 4.219 1.00 0.00 N ATOM 827 CZ ARG 1 61 -0.640 -11.704 4.169 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -0.761 -10.959 3.078 1.00 0.00 N ATOM 829 NH2 ARG 1 61 0.023 -11.234 5.217 1.00 0.00 N ATOM 0 H ARG 1 61 -6.501 -11.767 5.522 1.00 0.00 H new ATOM 0 HA ARG 1 61 -5.816 -13.679 3.447 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -3.795 -12.116 4.955 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -3.559 -13.851 5.040 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -3.944 -13.663 2.390 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -3.396 -12.023 2.670 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -1.920 -14.609 3.229 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -1.437 -13.295 2.175 1.00 0.00 H new ATOM 0 HE ARG 1 61 -1.066 -13.460 5.076 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -1.271 -11.316 2.270 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 -0.344 -10.029 3.047 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 0.117 -11.803 6.058 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 0.439 -10.303 5.182 1.00 0.00 H new ATOM 843 N ILE 1 62 -5.519 -15.513 5.320 1.00 0.00 N ATOM 844 CA ILE 1 62 -5.828 -16.585 6.261 1.00 0.00 C ATOM 845 C ILE 1 62 -4.807 -17.707 6.125 1.00 0.00 C ATOM 846 O ILE 1 62 -4.603 -18.241 5.035 1.00 0.00 O ATOM 847 CB ILE 1 62 -7.240 -17.188 6.045 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -8.199 -16.175 5.414 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -7.801 -17.690 7.367 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -7.853 -15.826 3.984 1.00 0.00 C ATOM 0 H ILE 1 62 -4.952 -15.809 4.525 1.00 0.00 H new ATOM 0 HA ILE 1 62 -5.795 -16.140 7.255 1.00 0.00 H new ATOM 0 HB ILE 1 62 -7.142 -18.024 5.353 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -9.212 -16.576 5.447 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -8.198 -15.264 6.012 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -8.793 -18.112 7.205 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -7.143 -18.458 7.774 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -7.870 -16.861 8.071 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -8.574 -15.104 3.601 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -6.853 -15.395 3.947 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -7.883 -16.728 3.372 1.00 0.00 H new ATOM 862 N ALA 1 63 -4.166 -18.060 7.231 1.00 0.00 N ATOM 863 CA ALA 1 63 -3.161 -19.121 7.227 1.00 0.00 C ATOM 864 C ALA 1 63 -3.654 -20.353 6.475 1.00 0.00 C ATOM 865 O ALA 1 63 -3.246 -20.602 5.342 1.00 0.00 O ATOM 866 CB ALA 1 63 -2.767 -19.491 8.648 1.00 0.00 C ATOM 0 H ALA 1 63 -4.322 -17.630 8.142 1.00 0.00 H new ATOM 0 HA ALA 1 63 -2.282 -18.741 6.707 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -2.018 -20.282 8.624 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -2.354 -18.616 9.151 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -3.646 -19.840 9.190 1.00 0.00 H new ATOM 872 N ARG 1 64 -4.532 -21.119 7.112 1.00 0.00 N ATOM 873 CA ARG 1 64 -5.075 -22.326 6.495 1.00 0.00 C ATOM 874 C ARG 1 64 -6.297 -22.837 7.256 1.00 0.00 C ATOM 875 O ARG 1 64 -6.286 -23.942 7.800 1.00 0.00 O ATOM 876 CB ARG 1 64 -4.001 -23.419 6.432 1.00 0.00 C ATOM 877 CG ARG 1 64 -3.325 -23.547 5.074 1.00 0.00 C ATOM 878 CD ARG 1 64 -4.340 -23.690 3.950 1.00 0.00 C ATOM 879 NE ARG 1 64 -5.412 -24.623 4.293 1.00 0.00 N ATOM 880 CZ ARG 1 64 -6.581 -24.674 3.658 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -6.833 -23.850 2.649 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -7.501 -25.552 4.034 1.00 0.00 N ATOM 0 H ARG 1 64 -4.882 -20.928 8.051 1.00 0.00 H new ATOM 0 HA ARG 1 64 -5.388 -22.072 5.482 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -3.242 -23.211 7.186 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -4.455 -24.375 6.692 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -2.703 -22.670 4.893 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -2.662 -24.412 5.078 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -4.768 -22.714 3.723 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -3.835 -24.035 3.048 1.00 0.00 H new ATOM 0 HE ARG 1 64 -5.255 -25.273 5.064 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -6.129 -23.173 2.356 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -7.731 -23.894 2.167 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -7.313 -26.188 4.809 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -8.397 -25.592 3.548 1.00 0.00 H new ATOM 896 N GLY 1 65 -7.351 -22.031 7.286 1.00 0.00 N ATOM 897 CA GLY 1 65 -8.562 -22.427 7.980 1.00 0.00 C ATOM 898 C GLY 1 65 -9.293 -21.252 8.593 1.00 0.00 C ATOM 899 O GLY 1 65 -9.856 -20.421 7.881 1.00 0.00 O ATOM 0 H GLY 1 65 -7.389 -21.113 6.844 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -9.225 -22.939 7.282 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -8.310 -23.142 8.763 1.00 0.00 H new ATOM 903 N ASP 1 66 -9.283 -21.183 9.919 1.00 0.00 N ATOM 904 CA ASP 1 66 -9.949 -20.100 10.631 1.00 0.00 C ATOM 905 C ASP 1 66 -9.617 -20.137 12.118 1.00 0.00 C ATOM 906 O ASP 1 66 -10.365 -20.694 12.922 1.00 0.00 O ATOM 907 CB ASP 1 66 -11.463 -20.182 10.431 1.00 0.00 C ATOM 908 CG ASP 1 66 -12.003 -21.579 10.666 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -11.636 -22.495 9.900 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -12.792 -21.758 11.618 1.00 0.00 O ATOM 0 H ASP 1 66 -8.821 -21.864 10.522 1.00 0.00 H new ATOM 0 HA ASP 1 66 -9.587 -19.157 10.222 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -11.955 -19.486 11.111 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -11.710 -19.866 9.418 1.00 0.00 H new ATOM 915 N TRP 1 67 -8.487 -19.540 12.473 1.00 0.00 N ATOM 916 CA TRP 1 67 -8.038 -19.494 13.862 1.00 0.00 C ATOM 917 C TRP 1 67 -7.903 -18.052 14.324 1.00 0.00 C ATOM 918 O TRP 1 67 -8.674 -17.573 15.156 1.00 0.00 O ATOM 919 CB TRP 1 67 -6.692 -20.215 14.008 1.00 0.00 C ATOM 920 CG TRP 1 67 -6.112 -20.661 12.702 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -5.515 -19.878 11.758 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -6.086 -21.995 12.195 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -5.121 -20.646 10.692 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -5.458 -21.951 10.938 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -6.531 -23.222 12.684 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -5.267 -23.088 10.163 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -6.341 -24.354 11.915 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -5.713 -24.281 10.665 1.00 0.00 C ATOM 0 H TRP 1 67 -7.860 -19.078 11.815 1.00 0.00 H new ATOM 0 HA TRP 1 67 -8.779 -19.997 14.483 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -5.984 -19.551 14.503 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -6.821 -21.083 14.655 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -5.373 -18.810 11.838 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -4.654 -20.302 9.853 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -7.016 -23.287 13.647 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -4.784 -23.033 9.199 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -6.682 -25.310 12.283 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -5.578 -25.183 10.086 1.00 0.00 H new ATOM 939 N ASN 1 68 -6.919 -17.368 13.763 1.00 0.00 N ATOM 940 CA ASN 1 68 -6.663 -15.972 14.088 1.00 0.00 C ATOM 941 C ASN 1 68 -7.107 -15.076 12.937 1.00 0.00 C ATOM 942 O ASN 1 68 -7.536 -13.942 13.147 1.00 0.00 O ATOM 943 CB ASN 1 68 -5.177 -15.753 14.382 1.00 0.00 C ATOM 944 CG ASN 1 68 -4.567 -16.887 15.185 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -4.371 -16.771 16.394 1.00 0.00 O ATOM 946 ND2 ASN 1 68 -4.264 -17.992 14.512 1.00 0.00 N ATOM 0 H ASN 1 68 -6.278 -17.761 13.074 1.00 0.00 H new ATOM 0 HA ASN 1 68 -7.234 -15.713 14.979 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -4.636 -15.647 13.442 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -5.053 -14.818 14.928 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -3.851 -18.788 14.998 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -4.444 -18.044 13.509 1.00 0.00 H new ATOM 953 N ASP 1 69 -7.009 -15.604 11.719 1.00 0.00 N ATOM 954 CA ASP 1 69 -7.408 -14.869 10.524 1.00 0.00 C ATOM 955 C ASP 1 69 -6.566 -13.617 10.331 1.00 0.00 C ATOM 956 O ASP 1 69 -6.312 -12.875 11.278 1.00 0.00 O ATOM 957 CB ASP 1 69 -8.879 -14.474 10.614 1.00 0.00 C ATOM 958 CG ASP 1 69 -9.803 -15.544 10.067 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -10.035 -16.547 10.775 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -10.295 -15.379 8.931 1.00 0.00 O ATOM 0 H ASP 1 69 -6.655 -16.543 11.535 1.00 0.00 H new ATOM 0 HA ASP 1 69 -7.252 -15.527 9.669 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -9.135 -14.275 11.655 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -9.037 -13.546 10.064 1.00 0.00 H new ATOM 965 N ASP 1 70 -6.150 -13.376 9.093 1.00 0.00 N ATOM 966 CA ASP 1 70 -5.352 -12.200 8.777 1.00 0.00 C ATOM 967 C ASP 1 70 -6.235 -10.966 8.720 1.00 0.00 C ATOM 968 O ASP 1 70 -7.265 -10.965 8.048 1.00 0.00 O ATOM 969 CB ASP 1 70 -4.633 -12.386 7.445 1.00 0.00 C ATOM 970 CG ASP 1 70 -3.483 -11.423 7.275 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -3.645 -10.245 7.647 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -2.421 -11.849 6.773 1.00 0.00 O ATOM 0 H ASP 1 70 -6.352 -13.978 8.295 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.607 -12.068 9.562 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -4.261 -13.408 7.375 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -5.343 -12.248 6.629 1.00 0.00 H new ATOM 977 N TYR 1 71 -5.845 -9.921 9.442 1.00 0.00 N ATOM 978 CA TYR 1 71 -6.640 -8.703 9.476 1.00 0.00 C ATOM 979 C TYR 1 71 -5.803 -7.441 9.380 1.00 0.00 C ATOM 980 O TYR 1 71 -4.741 -7.328 9.991 1.00 0.00 O ATOM 981 CB TYR 1 71 -7.454 -8.664 10.756 1.00 0.00 C ATOM 982 CG TYR 1 71 -8.693 -9.505 10.681 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -9.787 -9.067 9.964 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -8.764 -10.733 11.315 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -10.931 -9.823 9.877 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -9.902 -11.504 11.236 1.00 0.00 C ATOM 987 CZ TYR 1 71 -10.989 -11.046 10.517 1.00 0.00 C ATOM 988 OH TYR 1 71 -12.129 -11.811 10.434 1.00 0.00 O ATOM 0 H TYR 1 71 -4.994 -9.894 10.004 1.00 0.00 H new ATOM 0 HA TYR 1 71 -7.289 -8.726 8.601 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -6.836 -9.008 11.585 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -7.733 -7.633 10.973 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -9.744 -8.112 9.462 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -7.916 -11.091 11.879 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -11.779 -9.464 9.312 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -9.945 -12.462 11.733 1.00 0.00 H new ATOM 0 HH TYR 1 71 -12.003 -12.641 10.939 1.00 0.00 H new ATOM 998 N CYS 1 72 -6.318 -6.483 8.619 1.00 0.00 N ATOM 999 CA CYS 1 72 -5.658 -5.201 8.440 1.00 0.00 C ATOM 1000 C CYS 1 72 -5.652 -4.425 9.754 1.00 0.00 C ATOM 1001 O CYS 1 72 -6.392 -4.757 10.680 1.00 0.00 O ATOM 1002 CB CYS 1 72 -6.376 -4.398 7.356 1.00 0.00 C ATOM 1003 SG CYS 1 72 -5.450 -2.948 6.765 1.00 0.00 S ATOM 0 H CYS 1 72 -7.199 -6.574 8.113 1.00 0.00 H new ATOM 0 HA CYS 1 72 -4.626 -5.371 8.132 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -6.581 -5.054 6.510 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 -7.339 -4.067 7.743 1.00 0.00 H new ATOM 1008 N THR 1 73 -4.813 -3.398 9.839 1.00 0.00 N ATOM 1009 CA THR 1 73 -4.720 -2.590 11.051 1.00 0.00 C ATOM 1010 C THR 1 73 -5.013 -1.117 10.768 1.00 0.00 C ATOM 1011 O THR 1 73 -4.780 -0.256 11.616 1.00 0.00 O ATOM 1012 CB THR 1 73 -3.332 -2.738 11.675 1.00 0.00 C ATOM 1013 OG1 THR 1 73 -2.395 -1.903 11.019 1.00 0.00 O ATOM 1014 CG2 THR 1 73 -2.803 -4.155 11.621 1.00 0.00 C ATOM 0 H THR 1 73 -4.190 -3.106 9.086 1.00 0.00 H new ATOM 0 HA THR 1 73 -5.473 -2.952 11.752 1.00 0.00 H new ATOM 0 HB THR 1 73 -3.451 -2.450 12.720 1.00 0.00 H new ATOM 0 HG1 THR 1 73 -1.514 -2.011 11.434 1.00 0.00 H new ATOM 0 HG21 THR 1 73 -1.815 -4.192 12.080 1.00 0.00 H new ATOM 0 HG22 THR 1 73 -3.479 -4.817 12.162 1.00 0.00 H new ATOM 0 HG23 THR 1 73 -2.733 -4.478 10.582 1.00 0.00 H new ATOM 1022 N GLY 1 74 -5.529 -0.832 9.574 1.00 0.00 N ATOM 1023 CA GLY 1 74 -5.849 0.535 9.203 1.00 0.00 C ATOM 1024 C GLY 1 74 -4.704 1.498 9.452 1.00 0.00 C ATOM 1025 O GLY 1 74 -4.922 2.695 9.638 1.00 0.00 O ATOM 0 H GLY 1 74 -5.731 -1.527 8.855 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 -6.120 0.566 8.148 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 -6.723 0.864 9.766 1.00 0.00 H new ATOM 1029 N LYS 1 75 -3.480 0.978 9.459 1.00 0.00 N ATOM 1030 CA LYS 1 75 -2.304 1.808 9.691 1.00 0.00 C ATOM 1031 C LYS 1 75 -1.144 1.409 8.780 1.00 0.00 C ATOM 1032 O LYS 1 75 -0.016 1.865 8.970 1.00 0.00 O ATOM 1033 CB LYS 1 75 -1.868 1.709 11.154 1.00 0.00 C ATOM 1034 CG LYS 1 75 -2.922 2.190 12.138 1.00 0.00 C ATOM 1035 CD LYS 1 75 -2.759 1.528 13.496 1.00 0.00 C ATOM 1036 CE LYS 1 75 -1.408 1.849 14.114 1.00 0.00 C ATOM 1037 NZ LYS 1 75 -1.077 3.297 14.004 1.00 0.00 N ATOM 0 H LYS 1 75 -3.278 -0.010 9.307 1.00 0.00 H new ATOM 0 HA LYS 1 75 -2.577 2.838 9.460 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 -1.618 0.672 11.380 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 -0.959 2.294 11.294 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 -2.851 3.272 12.249 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 -3.915 1.974 11.744 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 -3.554 1.862 14.163 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 -2.865 0.448 13.391 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 -1.410 1.556 15.164 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 -0.634 1.261 13.620 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 -0.373 3.548 14.727 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 -0.689 3.494 13.060 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 -1.938 3.862 14.149 1.00 0.00 H new ATOM 1051 N SER 1 76 -1.416 0.560 7.791 1.00 0.00 N ATOM 1052 CA SER 1 76 -0.375 0.119 6.868 1.00 0.00 C ATOM 1053 C SER 1 76 -0.967 -0.631 5.678 1.00 0.00 C ATOM 1054 O SER 1 76 -2.143 -0.994 5.679 1.00 0.00 O ATOM 1055 CB SER 1 76 0.630 -0.775 7.595 1.00 0.00 C ATOM 1056 OG SER 1 76 1.883 -0.778 6.933 1.00 0.00 O ATOM 0 H SER 1 76 -2.340 0.167 7.610 1.00 0.00 H new ATOM 0 HA SER 1 76 0.134 1.006 6.492 1.00 0.00 H new ATOM 0 HB2 SER 1 76 0.757 -0.426 8.620 1.00 0.00 H new ATOM 0 HB3 SER 1 76 0.242 -1.792 7.651 1.00 0.00 H new ATOM 0 HG SER 1 76 2.508 -1.356 7.419 1.00 0.00 H new ATOM 1062 N SER 1 77 -0.133 -0.865 4.667 1.00 0.00 N ATOM 1063 CA SER 1 77 -0.555 -1.581 3.466 1.00 0.00 C ATOM 1064 C SER 1 77 -0.345 -3.083 3.623 1.00 0.00 C ATOM 1065 O SER 1 77 -0.446 -3.836 2.653 1.00 0.00 O ATOM 1066 CB SER 1 77 0.228 -1.077 2.252 1.00 0.00 C ATOM 1067 OG SER 1 77 1.522 -1.654 2.204 1.00 0.00 O ATOM 0 H SER 1 77 0.843 -0.568 4.656 1.00 0.00 H new ATOM 0 HA SER 1 77 -1.618 -1.394 3.317 1.00 0.00 H new ATOM 0 HB2 SER 1 77 -0.316 -1.319 1.339 1.00 0.00 H new ATOM 0 HB3 SER 1 77 0.312 0.009 2.295 1.00 0.00 H new ATOM 0 HG SER 1 77 2.001 -1.317 1.418 1.00 0.00 H new ATOM 1073 N ASP 1 78 -0.055 -3.516 4.847 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.173 -4.928 5.119 1.00 0.00 C ATOM 1075 C ASP 1 78 -0.912 -5.502 6.021 1.00 0.00 C ATOM 1076 O ASP 1 78 -1.409 -4.831 6.925 1.00 0.00 O ATOM 1077 CB ASP 1 78 1.545 -5.127 5.766 1.00 0.00 C ATOM 1078 CG ASP 1 78 2.642 -5.342 4.741 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 2.661 -6.419 4.109 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 3.481 -4.433 4.571 1.00 0.00 O ATOM 0 H ASP 1 78 0.027 -2.909 5.663 1.00 0.00 H new ATOM 0 HA ASP 1 78 0.141 -5.460 4.168 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 1.786 -4.256 6.375 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 1.506 -5.985 6.438 1.00 0.00 H new ATOM 1085 N CYS 1 79 -1.267 -6.753 5.763 1.00 0.00 N ATOM 1086 CA CYS 1 79 -2.288 -7.444 6.538 1.00 0.00 C ATOM 1087 C CYS 1 79 -1.677 -8.639 7.273 1.00 0.00 C ATOM 1088 O CYS 1 79 -1.400 -9.668 6.662 1.00 0.00 O ATOM 1089 CB CYS 1 79 -3.406 -7.921 5.611 1.00 0.00 C ATOM 1090 SG CYS 1 79 -5.040 -8.016 6.408 1.00 0.00 S ATOM 0 H CYS 1 79 -0.859 -7.314 5.016 1.00 0.00 H new ATOM 0 HA CYS 1 79 -2.700 -6.753 7.273 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -3.468 -7.246 4.757 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.146 -8.905 5.221 1.00 0.00 H new ATOM 1095 N PRO 1 80 -1.449 -8.518 8.593 1.00 0.00 N ATOM 1096 CA PRO 1 80 -0.859 -9.599 9.397 1.00 0.00 C ATOM 1097 C PRO 1 80 -1.806 -10.785 9.598 1.00 0.00 C ATOM 1098 O PRO 1 80 -2.954 -10.614 10.008 1.00 0.00 O ATOM 1099 CB PRO 1 80 -0.570 -8.921 10.738 1.00 0.00 C ATOM 1100 CG PRO 1 80 -1.555 -7.806 10.815 1.00 0.00 C ATOM 1101 CD PRO 1 80 -1.733 -7.320 9.405 1.00 0.00 C ATOM 0 HA PRO 1 80 0.018 -10.025 8.910 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 -0.693 -9.616 11.568 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 0.454 -8.549 10.782 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -2.502 -8.148 11.233 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 -1.192 -7.007 11.461 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 -2.743 -6.948 9.233 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 -1.048 -6.505 9.171 1.00 0.00 H new ATOM 1109 N TRP 1 81 -1.305 -11.991 9.314 1.00 0.00 N ATOM 1110 CA TRP 1 81 -2.092 -13.227 9.468 1.00 0.00 C ATOM 1111 C TRP 1 81 -2.854 -13.230 10.789 1.00 0.00 C ATOM 1112 O TRP 1 81 -3.919 -13.837 10.904 1.00 0.00 O ATOM 1113 CB TRP 1 81 -1.194 -14.474 9.438 1.00 0.00 C ATOM 1114 CG TRP 1 81 0.181 -14.251 8.889 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 1.261 -13.739 9.550 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 0.620 -14.546 7.567 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 2.346 -13.695 8.709 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 1.976 -14.187 7.485 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -0.007 -15.079 6.445 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 2.716 -14.347 6.319 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 0.726 -15.239 5.284 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 2.077 -14.874 5.229 1.00 0.00 C ATOM 0 H TRP 1 81 -0.355 -12.142 8.975 1.00 0.00 H new ATOM 0 HA TRP 1 81 -2.790 -13.256 8.631 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -1.105 -14.864 10.452 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -1.686 -15.243 8.843 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 1.262 -13.417 10.581 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 3.275 -13.352 8.955 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -1.048 -15.363 6.481 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 3.758 -14.066 6.275 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 0.250 -15.651 4.407 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 2.625 -15.011 4.309 1.00 0.00 H new ATOM 1133 N ASN 1 82 -2.269 -12.570 11.784 1.00 0.00 N ATOM 1134 CA ASN 1 82 -2.830 -12.487 13.134 1.00 0.00 C ATOM 1135 C ASN 1 82 -2.312 -13.638 13.989 1.00 0.00 C ATOM 1136 O ASN 1 82 -2.989 -14.104 14.905 1.00 0.00 O ATOM 1137 CB ASN 1 82 -4.362 -12.498 13.111 1.00 0.00 C ATOM 1138 CG ASN 1 82 -4.966 -12.061 14.431 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -5.820 -12.747 14.993 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -4.528 -10.913 14.933 1.00 0.00 N ATOM 0 H ASN 1 82 -1.385 -12.073 11.678 1.00 0.00 H new ATOM 0 HA ASN 1 82 -2.510 -11.540 13.569 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -4.715 -11.839 12.318 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -4.711 -13.502 12.870 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -4.901 -10.568 15.818 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -3.819 -10.376 14.434 1.00 0.00 H new ATOM 1147 N HIS 1 83 -1.101 -14.093 13.677 1.00 0.00 N ATOM 1148 CA HIS 1 83 -0.479 -15.192 14.405 1.00 0.00 C ATOM 1149 C HIS 1 83 0.540 -14.672 15.414 1.00 0.00 C ATOM 1150 O HIS 1 83 1.443 -15.447 15.795 1.00 0.00 O ATOM 1151 CB HIS 1 83 0.197 -16.153 13.424 1.00 0.00 C ATOM 1152 CG HIS 1 83 -0.724 -16.649 12.355 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -0.311 -16.908 11.066 1.00 0.00 N ATOM 1154 CD2 HIS 1 83 -2.050 -16.921 12.385 1.00 0.00 C ATOM 1155 CE1 HIS 1 83 -1.344 -17.314 10.349 1.00 0.00 C ATOM 1156 NE2 HIS 1 83 -2.410 -17.333 11.127 1.00 0.00 N ATOM 1157 OXT HIS 1 83 0.428 -13.494 15.813 1.00 0.00 O ATOM 0 H HIS 1 83 -0.530 -13.715 12.921 1.00 0.00 H new ATOM 0 HA HIS 1 83 -1.258 -15.725 14.951 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 1.045 -15.650 12.959 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 0.595 -17.005 13.976 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -2.703 -16.830 13.240 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -1.320 -17.584 9.304 1.00 0.00 H new ATOM 0 HE2 HIS 1 83 -3.349 -17.609 10.840 1.00 0.00 H new