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= -1.86 K(o=-13,f=-4.7) USER MOD Set 1.2: 1 83 HIS : no HD1:sc= -11.4! K(o=-13!,f=-4.7) USER MOD Single : 1 7 ASN : amide:sc= -2.1 K(o=-2.1,f=-1) USER MOD Single : 1 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 12 GLN : amide:sc= -2.21 K(o=-2.2,f=-9.7!) USER MOD Single : 1 20 SER OG : rot 180:sc= -0.943 USER MOD Single : 1 23 ASN : amide:sc=-0.00434 K(o=-0.0043,f=-2.5!) USER MOD Single : 1 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 30 ASN : amide:sc= -6.72! C(o=-6.7!,f=-11!) 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 37 THR OG1 : rot 167:sc= -2.68 USER MOD Single : 1 40 SER OG : rot -154:sc= -2.91! USER MOD Single : 1 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 43 ASN : amide:sc= -4.79 K(o=-4.8,f=-11!) USER MOD Single : 1 44 TYR OH : rot 96:sc= 0.728 USER MOD Single : 1 50 GLN : amide:sc= -0.0873 X(o=-0.087,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= 1.08 USER MOD Single : 1 71 TYR OH : rot 180:sc= 0 USER MOD Single : 1 73 THR OG1 : rot 180:sc= -0.0693 USER MOD Single : 1 75 LYS NZ :NH3+ 148:sc= -0.23 (180deg=-1.17) USER MOD Single : 1 76 SER OG : rot 180:sc= 0 USER MOD Single : 1 77 SER OG : rot 166:sc= 1.05 USER MOD Single : 1 82 ASN : amide:sc= -1.33 K(o=-1.3,f=0.34) USER MOD ----------------------------------------------------------------- ATOM 28 N PRO 1 3 14.963 0.677 -8.963 1.00 0.00 N ATOM 29 CA PRO 1 3 14.049 1.296 -7.992 1.00 0.00 C ATOM 30 C PRO 1 3 14.409 2.749 -7.696 1.00 0.00 C ATOM 31 O PRO 1 3 14.978 3.064 -6.650 1.00 0.00 O ATOM 32 CB PRO 1 3 14.213 0.433 -6.736 1.00 0.00 C ATOM 33 CG PRO 1 3 14.807 -0.846 -7.215 1.00 0.00 C ATOM 34 CD PRO 1 3 15.666 -0.482 -8.388 1.00 0.00 C ATOM 0 HA PRO 1 3 13.026 1.330 -8.366 1.00 0.00 H new ATOM 0 HB2 PRO 1 3 14.861 0.919 -6.006 1.00 0.00 H new ATOM 0 HB3 PRO 1 3 13.254 0.263 -6.247 1.00 0.00 H new ATOM 0 HG2 PRO 1 3 15.396 -1.321 -6.431 1.00 0.00 H new ATOM 0 HG3 PRO 1 3 14.030 -1.554 -7.504 1.00 0.00 H new ATOM 0 HD2 PRO 1 3 16.681 -0.228 -8.082 1.00 0.00 H new ATOM 0 HD3 PRO 1 3 15.744 -1.302 -9.102 1.00 0.00 H new ATOM 42 N VAL 1 4 14.073 3.627 -8.633 1.00 0.00 N ATOM 43 CA VAL 1 4 14.352 5.052 -8.502 1.00 0.00 C ATOM 44 C VAL 1 4 13.070 5.870 -8.545 1.00 0.00 C ATOM 45 O VAL 1 4 12.089 5.469 -9.172 1.00 0.00 O ATOM 46 CB VAL 1 4 15.298 5.543 -9.614 1.00 0.00 C ATOM 47 CG1 VAL 1 4 15.728 6.979 -9.355 1.00 0.00 C ATOM 48 CG2 VAL 1 4 16.508 4.626 -9.729 1.00 0.00 C ATOM 0 H VAL 1 4 13.602 3.373 -9.501 1.00 0.00 H new ATOM 0 HA VAL 1 4 14.835 5.191 -7.535 1.00 0.00 H new ATOM 0 HB VAL 1 4 14.760 5.516 -10.562 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 16.396 7.308 -10.151 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 14.849 7.623 -9.329 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 16.248 7.036 -8.399 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 17.165 4.988 -10.520 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 17.049 4.617 -8.783 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 16.177 3.615 -9.967 1.00 0.00 H new ATOM 58 N CYS 1 5 13.085 7.028 -7.893 1.00 0.00 N ATOM 59 CA CYS 1 5 11.919 7.899 -7.887 1.00 0.00 C ATOM 60 C CYS 1 5 11.883 8.652 -9.203 1.00 0.00 C ATOM 61 O CYS 1 5 12.405 9.760 -9.326 1.00 0.00 O ATOM 62 CB CYS 1 5 11.981 8.879 -6.714 1.00 0.00 C ATOM 63 SG CYS 1 5 10.351 9.470 -6.152 1.00 0.00 S ATOM 0 H CYS 1 5 13.884 7.381 -7.367 1.00 0.00 H new ATOM 0 HA CYS 1 5 11.014 7.303 -7.771 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 12.489 8.397 -5.878 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 12.587 9.738 -7.003 1.00 0.00 H new ATOM 68 N GLY 1 6 11.294 8.003 -10.197 1.00 0.00 N ATOM 69 CA GLY 1 6 11.220 8.563 -11.526 1.00 0.00 C ATOM 70 C GLY 1 6 11.623 7.534 -12.565 1.00 0.00 C ATOM 71 O GLY 1 6 12.145 7.872 -13.627 1.00 0.00 O ATOM 0 H GLY 1 6 10.861 7.085 -10.101 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 10.206 8.909 -11.724 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 11.873 9.433 -11.596 1.00 0.00 H new ATOM 75 N ASN 1 7 11.372 6.268 -12.239 1.00 0.00 N ATOM 76 CA ASN 1 7 11.692 5.149 -13.112 1.00 0.00 C ATOM 77 C ASN 1 7 10.431 4.346 -13.403 1.00 0.00 C ATOM 78 O ASN 1 7 10.466 3.354 -14.131 1.00 0.00 O ATOM 79 CB ASN 1 7 12.737 4.246 -12.443 1.00 0.00 C ATOM 80 CG ASN 1 7 14.148 4.553 -12.905 1.00 0.00 C ATOM 81 OD1 ASN 1 7 14.893 3.655 -13.299 1.00 0.00 O ATOM 82 ND2 ASN 1 7 14.524 5.826 -12.859 1.00 0.00 N ATOM 0 H ASN 1 7 10.939 5.992 -11.358 1.00 0.00 H new ATOM 0 HA ASN 1 7 12.098 5.533 -14.048 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 12.678 4.366 -11.361 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 12.505 3.204 -12.661 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 15.463 6.092 -13.157 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 13.874 6.538 -12.525 1.00 0.00 H new ATOM 89 N LYS 1 8 9.326 4.781 -12.793 1.00 0.00 N ATOM 90 CA LYS 1 8 8.030 4.136 -12.919 1.00 0.00 C ATOM 91 C LYS 1 8 7.846 3.139 -11.786 1.00 0.00 C ATOM 92 O LYS 1 8 6.958 2.287 -11.817 1.00 0.00 O ATOM 93 CB LYS 1 8 7.845 3.456 -14.281 1.00 0.00 C ATOM 94 CG LYS 1 8 8.203 4.347 -15.460 1.00 0.00 C ATOM 95 CD LYS 1 8 7.240 4.150 -16.620 1.00 0.00 C ATOM 96 CE LYS 1 8 7.310 2.734 -17.167 1.00 0.00 C ATOM 97 NZ LYS 1 8 6.774 2.647 -18.554 1.00 0.00 N ATOM 0 H LYS 1 8 9.313 5.604 -12.190 1.00 0.00 H new ATOM 0 HA LYS 1 8 7.264 4.908 -12.853 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 8.461 2.557 -14.316 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 6.808 3.136 -14.380 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 8.188 5.391 -15.146 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 9.219 4.128 -15.788 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 6.223 4.364 -16.291 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 7.474 4.860 -17.413 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 8.345 2.391 -17.156 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 6.745 2.065 -16.517 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 6.840 1.665 -18.891 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 5.779 2.950 -18.561 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 7.329 3.265 -19.180 1.00 0.00 H new ATOM 111 N ILE 1 9 8.695 3.279 -10.774 1.00 0.00 N ATOM 112 CA ILE 1 9 8.658 2.440 -9.601 1.00 0.00 C ATOM 113 C ILE 1 9 8.672 3.320 -8.365 1.00 0.00 C ATOM 114 O ILE 1 9 9.276 4.392 -8.366 1.00 0.00 O ATOM 115 CB ILE 1 9 9.867 1.478 -9.547 1.00 0.00 C ATOM 116 CG1 ILE 1 9 9.787 0.451 -10.677 1.00 0.00 C ATOM 117 CG2 ILE 1 9 9.943 0.778 -8.196 1.00 0.00 C ATOM 118 CD1 ILE 1 9 10.823 0.666 -11.759 1.00 0.00 C ATOM 0 H ILE 1 9 9.430 3.986 -10.753 1.00 0.00 H new ATOM 0 HA ILE 1 9 7.749 1.840 -9.642 1.00 0.00 H new ATOM 0 HB ILE 1 9 10.775 2.067 -9.678 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 9.911 -0.548 -10.259 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 8.793 0.489 -11.123 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 10.801 0.106 -8.182 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 10.051 1.522 -7.406 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 9.031 0.204 -8.032 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 10.709 -0.097 -12.529 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 10.686 1.652 -12.203 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 11.821 0.598 -11.326 1.00 0.00 H new ATOM 130 N LEU 1 10 8.013 2.862 -7.321 1.00 0.00 N ATOM 131 CA LEU 1 10 7.956 3.603 -6.064 1.00 0.00 C ATOM 132 C LEU 1 10 9.337 3.637 -5.423 1.00 0.00 C ATOM 133 O LEU 1 10 9.546 3.098 -4.340 1.00 0.00 O ATOM 134 CB LEU 1 10 6.946 2.961 -5.108 1.00 0.00 C ATOM 135 CG LEU 1 10 6.627 1.495 -5.397 1.00 0.00 C ATOM 136 CD1 LEU 1 10 7.906 0.673 -5.508 1.00 0.00 C ATOM 137 CD2 LEU 1 10 5.709 0.928 -4.327 1.00 0.00 C ATOM 0 H LEU 1 10 7.505 1.977 -7.312 1.00 0.00 H new ATOM 0 HA LEU 1 10 7.633 4.623 -6.272 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 7.330 3.040 -4.091 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 6.019 3.533 -5.145 1.00 0.00 H new ATOM 0 HG LEU 1 10 6.109 1.440 -6.355 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 7.653 -0.367 -5.714 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 8.521 1.064 -6.318 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 8.460 0.733 -4.571 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 5.493 -0.117 -4.550 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 6.196 0.999 -3.355 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 4.778 1.495 -4.308 1.00 0.00 H new ATOM 149 N GLU 1 11 10.274 4.265 -6.127 1.00 0.00 N ATOM 150 CA GLU 1 11 11.668 4.388 -5.684 1.00 0.00 C ATOM 151 C GLU 1 11 12.030 3.355 -4.622 1.00 0.00 C ATOM 152 O GLU 1 11 12.215 3.690 -3.452 1.00 0.00 O ATOM 153 CB GLU 1 11 11.941 5.792 -5.152 1.00 0.00 C ATOM 154 CG GLU 1 11 13.408 6.041 -4.851 1.00 0.00 C ATOM 155 CD GLU 1 11 13.628 7.263 -3.982 1.00 0.00 C ATOM 156 OE1 GLU 1 11 13.205 7.240 -2.807 1.00 0.00 O ATOM 157 OE2 GLU 1 11 14.223 8.244 -4.475 1.00 0.00 O ATOM 0 H GLU 1 11 10.091 4.707 -7.028 1.00 0.00 H new ATOM 0 HA GLU 1 11 12.294 4.201 -6.556 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 11.597 6.524 -5.883 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 11.358 5.950 -4.244 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 13.826 5.166 -4.353 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 13.951 6.164 -5.788 1.00 0.00 H new ATOM 164 N GLN 1 12 12.135 2.101 -5.040 1.00 0.00 N ATOM 165 CA GLN 1 12 12.483 1.017 -4.120 1.00 0.00 C ATOM 166 C GLN 1 12 11.601 1.028 -2.868 1.00 0.00 C ATOM 167 O GLN 1 12 12.101 1.081 -1.744 1.00 0.00 O ATOM 168 CB GLN 1 12 13.957 1.121 -3.719 1.00 0.00 C ATOM 169 CG GLN 1 12 14.695 -0.207 -3.764 1.00 0.00 C ATOM 170 CD GLN 1 12 16.188 -0.038 -3.967 1.00 0.00 C ATOM 171 OE1 GLN 1 12 16.673 -0.008 -5.098 1.00 0.00 O ATOM 172 NE2 GLN 1 12 16.926 0.073 -2.869 1.00 0.00 N ATOM 0 H GLN 1 12 11.986 1.806 -6.005 1.00 0.00 H new ATOM 0 HA GLN 1 12 12.311 0.075 -4.641 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 14.456 1.827 -4.382 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 14.023 1.530 -2.711 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 14.517 -0.749 -2.835 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 14.289 -0.817 -4.571 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 16.482 0.043 -1.951 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 17.937 0.188 -2.943 1.00 0.00 H new ATOM 181 N GLY 1 13 10.289 0.965 -3.068 1.00 0.00 N ATOM 182 CA GLY 1 13 9.365 0.954 -1.946 1.00 0.00 C ATOM 183 C GLY 1 13 9.282 2.289 -1.229 1.00 0.00 C ATOM 184 O GLY 1 13 9.513 2.369 -0.022 1.00 0.00 O ATOM 0 H GLY 1 13 9.848 0.921 -3.987 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 8.373 0.678 -2.303 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 9.674 0.186 -1.237 1.00 0.00 H new ATOM 188 N GLU 1 14 8.948 3.337 -1.972 1.00 0.00 N ATOM 189 CA GLU 1 14 8.828 4.676 -1.405 1.00 0.00 C ATOM 190 C GLU 1 14 7.379 4.992 -1.031 1.00 0.00 C ATOM 191 O GLU 1 14 7.125 5.905 -0.247 1.00 0.00 O ATOM 192 CB GLU 1 14 9.358 5.718 -2.391 1.00 0.00 C ATOM 193 CG GLU 1 14 10.631 6.399 -1.920 1.00 0.00 C ATOM 194 CD GLU 1 14 10.442 7.157 -0.620 1.00 0.00 C ATOM 195 OE1 GLU 1 14 9.442 6.895 0.081 1.00 0.00 O ATOM 196 OE2 GLU 1 14 11.294 8.014 -0.303 1.00 0.00 O ATOM 0 H GLU 1 14 8.755 3.286 -2.972 1.00 0.00 H new ATOM 0 HA GLU 1 14 9.426 4.710 -0.495 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 9.546 5.237 -3.351 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 8.590 6.474 -2.558 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 11.412 5.650 -1.789 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 10.976 7.088 -2.691 1.00 0.00 H new ATOM 203 N ASP 1 15 6.440 4.230 -1.603 1.00 0.00 N ATOM 204 CA ASP 1 15 5.003 4.407 -1.351 1.00 0.00 C ATOM 205 C ASP 1 15 4.377 5.343 -2.378 1.00 0.00 C ATOM 206 O ASP 1 15 3.290 5.881 -2.166 1.00 0.00 O ATOM 207 CB ASP 1 15 4.732 4.929 0.067 1.00 0.00 C ATOM 208 CG ASP 1 15 5.512 4.171 1.124 1.00 0.00 C ATOM 209 OD1 ASP 1 15 5.880 3.005 0.869 1.00 0.00 O ATOM 210 OD2 ASP 1 15 5.756 4.745 2.207 1.00 0.00 O ATOM 0 H ASP 1 15 6.653 3.474 -2.253 1.00 0.00 H new ATOM 0 HA ASP 1 15 4.542 3.423 -1.443 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 4.992 5.986 0.117 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 3.666 4.852 0.282 1.00 0.00 H new ATOM 215 N CYS 1 16 5.064 5.513 -3.499 1.00 0.00 N ATOM 216 CA CYS 1 16 4.582 6.359 -4.580 1.00 0.00 C ATOM 217 C CYS 1 16 5.429 6.154 -5.822 1.00 0.00 C ATOM 218 O CYS 1 16 6.547 6.661 -5.916 1.00 0.00 O ATOM 219 CB CYS 1 16 4.606 7.825 -4.186 1.00 0.00 C ATOM 220 SG CYS 1 16 3.843 8.919 -5.422 1.00 0.00 S ATOM 0 H CYS 1 16 5.965 5.072 -3.683 1.00 0.00 H new ATOM 0 HA CYS 1 16 3.551 6.075 -4.790 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 4.087 7.946 -3.235 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 5.639 8.134 -4.027 1.00 0.00 H new ATOM 225 N ASP 1 17 4.900 5.394 -6.766 1.00 0.00 N ATOM 226 CA ASP 1 17 5.617 5.107 -7.993 1.00 0.00 C ATOM 227 C ASP 1 17 5.073 5.922 -9.161 1.00 0.00 C ATOM 228 O ASP 1 17 3.897 5.823 -9.513 1.00 0.00 O ATOM 229 CB ASP 1 17 5.536 3.608 -8.290 1.00 0.00 C ATOM 230 CG ASP 1 17 4.177 3.184 -8.815 1.00 0.00 C ATOM 231 OD1 ASP 1 17 3.159 3.544 -8.188 1.00 0.00 O ATOM 232 OD2 ASP 1 17 4.132 2.492 -9.854 1.00 0.00 O ATOM 0 H ASP 1 17 3.976 4.965 -6.705 1.00 0.00 H new ATOM 0 HA ASP 1 17 6.661 5.392 -7.862 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 6.301 3.346 -9.021 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 5.759 3.050 -7.381 1.00 0.00 H new ATOM 237 N CYS 1 18 5.945 6.728 -9.756 1.00 0.00 N ATOM 238 CA CYS 1 18 5.572 7.568 -10.886 1.00 0.00 C ATOM 239 C CYS 1 18 6.807 7.938 -11.704 1.00 0.00 C ATOM 240 O CYS 1 18 7.790 8.445 -11.163 1.00 0.00 O ATOM 241 CB CYS 1 18 4.877 8.837 -10.390 1.00 0.00 C ATOM 242 SG CYS 1 18 3.121 8.618 -9.963 1.00 0.00 S ATOM 0 H CYS 1 18 6.921 6.817 -9.472 1.00 0.00 H new ATOM 0 HA CYS 1 18 4.884 7.010 -11.522 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 5.408 9.208 -9.513 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 4.958 9.605 -11.159 1.00 0.00 H new ATOM 247 N GLY 1 19 6.752 7.683 -13.008 1.00 0.00 N ATOM 248 CA GLY 1 19 7.875 7.997 -13.875 1.00 0.00 C ATOM 249 C GLY 1 19 8.320 9.442 -13.749 1.00 0.00 C ATOM 250 O GLY 1 19 9.509 9.723 -13.602 1.00 0.00 O ATOM 0 H GLY 1 19 5.950 7.265 -13.480 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 8.711 7.340 -13.634 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 7.599 7.794 -14.910 1.00 0.00 H new ATOM 254 N SER 1 20 7.362 10.359 -13.807 1.00 0.00 N ATOM 255 CA SER 1 20 7.658 11.783 -13.695 1.00 0.00 C ATOM 256 C SER 1 20 6.618 12.483 -12.824 1.00 0.00 C ATOM 257 O SER 1 20 5.447 12.106 -12.823 1.00 0.00 O ATOM 258 CB SER 1 20 7.698 12.428 -15.081 1.00 0.00 C ATOM 259 OG SER 1 20 8.688 13.440 -15.144 1.00 0.00 O ATOM 0 H SER 1 20 6.373 10.142 -13.931 1.00 0.00 H new ATOM 0 HA SER 1 20 8.635 11.892 -13.225 1.00 0.00 H new ATOM 0 HB2 SER 1 20 7.903 11.667 -15.834 1.00 0.00 H new ATOM 0 HB3 SER 1 20 6.723 12.854 -15.316 1.00 0.00 H new ATOM 0 HG SER 1 20 8.695 13.836 -16.041 1.00 0.00 H new ATOM 265 N PRO 1 21 7.028 13.519 -12.072 1.00 0.00 N ATOM 266 CA PRO 1 21 6.116 14.268 -11.203 1.00 0.00 C ATOM 267 C PRO 1 21 4.955 14.871 -11.987 1.00 0.00 C ATOM 268 O PRO 1 21 3.853 15.031 -11.462 1.00 0.00 O ATOM 269 CB PRO 1 21 6.996 15.374 -10.605 1.00 0.00 C ATOM 270 CG PRO 1 21 8.205 15.433 -11.476 1.00 0.00 C ATOM 271 CD PRO 1 21 8.400 14.044 -12.013 1.00 0.00 C ATOM 0 HA PRO 1 21 5.658 13.630 -10.447 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 6.472 16.330 -10.594 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 7.266 15.147 -9.574 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 8.067 16.148 -12.287 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 9.078 15.758 -10.910 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 8.872 14.053 -12.996 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 9.034 13.444 -11.361 1.00 0.00 H new ATOM 279 N ALA 1 22 5.211 15.196 -13.250 1.00 0.00 N ATOM 280 CA ALA 1 22 4.188 15.772 -14.115 1.00 0.00 C ATOM 281 C ALA 1 22 3.363 14.675 -14.780 1.00 0.00 C ATOM 282 O ALA 1 22 2.192 14.873 -15.103 1.00 0.00 O ATOM 283 CB ALA 1 22 4.828 16.667 -15.166 1.00 0.00 C ATOM 0 H ALA 1 22 6.119 15.070 -13.697 1.00 0.00 H new ATOM 0 HA ALA 1 22 3.520 16.377 -13.502 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 4.053 17.090 -15.805 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 5.373 17.473 -14.675 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 5.517 16.080 -15.773 1.00 0.00 H new ATOM 289 N ASN 1 23 3.983 13.514 -14.973 1.00 0.00 N ATOM 290 CA ASN 1 23 3.310 12.377 -15.589 1.00 0.00 C ATOM 291 C ASN 1 23 3.010 11.304 -14.547 1.00 0.00 C ATOM 292 O ASN 1 23 2.831 10.132 -14.877 1.00 0.00 O ATOM 293 CB ASN 1 23 4.171 11.791 -16.710 1.00 0.00 C ATOM 294 CG ASN 1 23 4.167 12.657 -17.955 1.00 0.00 C ATOM 295 OD1 ASN 1 23 3.983 13.871 -17.880 1.00 0.00 O ATOM 296 ND2 ASN 1 23 4.370 12.033 -19.110 1.00 0.00 N ATOM 0 H ASN 1 23 4.953 13.337 -14.711 1.00 0.00 H new ATOM 0 HA ASN 1 23 2.368 12.726 -16.013 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 5.195 11.675 -16.355 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 3.806 10.795 -16.962 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 4.378 12.563 -19.982 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 4.518 11.024 -19.125 1.00 0.00 H new ATOM 303 N CYS 1 24 2.960 11.718 -13.285 1.00 0.00 N ATOM 304 CA CYS 1 24 2.687 10.811 -12.186 1.00 0.00 C ATOM 305 C CYS 1 24 1.267 10.284 -12.270 1.00 0.00 C ATOM 306 O CYS 1 24 0.334 10.889 -11.743 1.00 0.00 O ATOM 307 CB CYS 1 24 2.906 11.516 -10.847 1.00 0.00 C ATOM 308 SG CYS 1 24 2.539 10.479 -9.393 1.00 0.00 S ATOM 0 H CYS 1 24 3.107 12.686 -13.001 1.00 0.00 H new ATOM 0 HA CYS 1 24 3.376 9.969 -12.258 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 3.942 11.851 -10.790 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 2.281 12.408 -10.811 1.00 0.00 H new ATOM 313 N GLN 1 25 1.115 9.154 -12.940 1.00 0.00 N ATOM 314 CA GLN 1 25 -0.193 8.525 -13.106 1.00 0.00 C ATOM 315 C GLN 1 25 -0.715 7.965 -11.780 1.00 0.00 C ATOM 316 O GLN 1 25 -1.089 6.796 -11.693 1.00 0.00 O ATOM 317 CB GLN 1 25 -0.111 7.408 -14.149 1.00 0.00 C ATOM 318 CG GLN 1 25 0.837 6.284 -13.764 1.00 0.00 C ATOM 319 CD GLN 1 25 1.424 5.578 -14.970 1.00 0.00 C ATOM 320 OE1 GLN 1 25 1.072 4.436 -15.267 1.00 0.00 O ATOM 321 NE2 GLN 1 25 2.324 6.256 -15.673 1.00 0.00 N ATOM 0 H GLN 1 25 1.883 8.648 -13.381 1.00 0.00 H new ATOM 0 HA GLN 1 25 -0.891 9.289 -13.448 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 -1.107 6.994 -14.305 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 0.210 7.833 -15.100 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 1.646 6.688 -13.155 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 0.305 5.560 -13.147 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 2.586 7.200 -15.390 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 2.753 5.832 -16.496 1.00 0.00 H new ATOM 330 N ASP 1 26 -0.745 8.812 -10.755 1.00 0.00 N ATOM 331 CA ASP 1 26 -1.227 8.415 -9.438 1.00 0.00 C ATOM 332 C ASP 1 26 -1.850 9.609 -8.722 1.00 0.00 C ATOM 333 O ASP 1 26 -1.149 10.412 -8.106 1.00 0.00 O ATOM 334 CB ASP 1 26 -0.083 7.839 -8.601 1.00 0.00 C ATOM 335 CG ASP 1 26 0.362 6.475 -9.090 1.00 0.00 C ATOM 336 OD1 ASP 1 26 1.092 6.416 -10.101 1.00 0.00 O ATOM 337 OD2 ASP 1 26 -0.020 5.466 -8.461 1.00 0.00 O ATOM 0 H ASP 1 26 -0.439 9.783 -10.813 1.00 0.00 H new ATOM 0 HA ASP 1 26 -1.987 7.645 -9.566 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 0.764 8.525 -8.627 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 -0.400 7.763 -7.561 1.00 0.00 H new ATOM 342 N ARG 1 27 -3.170 9.727 -8.820 1.00 0.00 N ATOM 343 CA ARG 1 27 -3.891 10.830 -8.194 1.00 0.00 C ATOM 344 C ARG 1 27 -3.832 10.752 -6.669 1.00 0.00 C ATOM 345 O ARG 1 27 -4.169 11.715 -5.981 1.00 0.00 O ATOM 346 CB ARG 1 27 -5.349 10.837 -8.656 1.00 0.00 C ATOM 347 CG ARG 1 27 -6.106 9.568 -8.299 1.00 0.00 C ATOM 348 CD ARG 1 27 -7.490 9.550 -8.927 1.00 0.00 C ATOM 349 NE ARG 1 27 -8.220 8.325 -8.608 1.00 0.00 N ATOM 350 CZ ARG 1 27 -9.356 7.964 -9.200 1.00 0.00 C ATOM 351 NH1 ARG 1 27 -9.894 8.729 -10.142 1.00 0.00 N ATOM 352 NH2 ARG 1 27 -9.955 6.834 -8.851 1.00 0.00 N ATOM 0 H ARG 1 27 -3.763 9.071 -9.328 1.00 0.00 H new ATOM 0 HA ARG 1 27 -3.406 11.756 -8.502 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 -5.858 11.692 -8.211 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 -5.378 10.976 -9.737 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 -5.541 8.699 -8.636 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 -6.196 9.489 -7.216 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 -8.058 10.412 -8.577 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 -7.398 9.646 -10.009 1.00 0.00 H new ATOM 0 HE ARG 1 27 -7.837 7.711 -7.890 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 -9.437 9.599 -10.416 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 -10.765 8.447 -10.592 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 -9.545 6.241 -8.129 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 -10.826 6.557 -9.305 1.00 0.00 H new ATOM 366 N CYS 1 28 -3.411 9.605 -6.142 1.00 0.00 N ATOM 367 CA CYS 1 28 -3.324 9.423 -4.698 1.00 0.00 C ATOM 368 C CYS 1 28 -1.873 9.260 -4.244 1.00 0.00 C ATOM 369 O CYS 1 28 -1.595 8.596 -3.246 1.00 0.00 O ATOM 370 CB CYS 1 28 -4.161 8.214 -4.268 1.00 0.00 C ATOM 371 SG CYS 1 28 -5.692 8.654 -3.379 1.00 0.00 S ATOM 0 H CYS 1 28 -3.127 8.793 -6.690 1.00 0.00 H new ATOM 0 HA CYS 1 28 -3.722 10.318 -4.219 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 -4.420 7.631 -5.152 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 -3.554 7.572 -3.630 1.00 0.00 H new ATOM 376 N CYS 1 29 -0.953 9.884 -4.975 1.00 0.00 N ATOM 377 CA CYS 1 29 0.467 9.817 -4.639 1.00 0.00 C ATOM 378 C CYS 1 29 1.287 10.699 -5.579 1.00 0.00 C ATOM 379 O CYS 1 29 1.052 10.721 -6.787 1.00 0.00 O ATOM 380 CB CYS 1 29 0.953 8.355 -4.671 1.00 0.00 C ATOM 381 SG CYS 1 29 2.152 7.948 -5.988 1.00 0.00 S ATOM 0 H CYS 1 29 -1.165 10.441 -5.803 1.00 0.00 H new ATOM 0 HA CYS 1 29 0.607 10.197 -3.627 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 1.406 8.121 -3.708 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 0.085 7.705 -4.782 1.00 0.00 H new ATOM 386 N ASN 1 30 2.250 11.425 -5.015 1.00 0.00 N ATOM 387 CA ASN 1 30 3.103 12.308 -5.808 1.00 0.00 C ATOM 388 C ASN 1 30 4.546 11.805 -5.838 1.00 0.00 C ATOM 389 O ASN 1 30 5.124 11.474 -4.797 1.00 0.00 O ATOM 390 CB ASN 1 30 3.045 13.736 -5.261 1.00 0.00 C ATOM 391 CG ASN 1 30 3.623 13.853 -3.866 1.00 0.00 C ATOM 392 OD1 ASN 1 30 3.237 13.117 -2.957 1.00 0.00 O ATOM 393 ND2 ASN 1 30 4.553 14.784 -3.690 1.00 0.00 N ATOM 0 H ASN 1 30 2.459 11.420 -4.017 1.00 0.00 H new ATOM 0 HA ASN 1 30 2.728 12.308 -6.831 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 3.590 14.400 -5.932 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 2.009 14.074 -5.250 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 4.979 14.912 -2.772 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 4.842 15.371 -4.473 1.00 0.00 H new ATOM 400 N ALA 1 31 5.116 11.734 -7.043 1.00 0.00 N ATOM 401 CA ALA 1 31 6.486 11.261 -7.224 1.00 0.00 C ATOM 402 C ALA 1 31 7.495 12.252 -6.651 1.00 0.00 C ATOM 403 O ALA 1 31 8.540 11.861 -6.133 1.00 0.00 O ATOM 404 CB ALA 1 31 6.766 11.025 -8.701 1.00 0.00 C ATOM 0 H ALA 1 31 4.647 11.999 -7.909 1.00 0.00 H new ATOM 0 HA ALA 1 31 6.593 10.321 -6.683 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 7.790 10.673 -8.825 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 6.075 10.276 -9.087 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 6.634 11.957 -9.250 1.00 0.00 H new ATOM 410 N ALA 1 32 7.173 13.540 -6.753 1.00 0.00 N ATOM 411 CA ALA 1 32 8.049 14.598 -6.252 1.00 0.00 C ATOM 412 C ALA 1 32 8.515 14.312 -4.826 1.00 0.00 C ATOM 413 O ALA 1 32 9.568 14.787 -4.401 1.00 0.00 O ATOM 414 CB ALA 1 32 7.338 15.941 -6.315 1.00 0.00 C ATOM 0 H ALA 1 32 6.310 13.877 -7.179 1.00 0.00 H new ATOM 0 HA ALA 1 32 8.932 14.630 -6.890 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 8.000 16.721 -5.939 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 7.067 16.161 -7.348 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 6.437 15.905 -5.703 1.00 0.00 H new ATOM 420 N THR 1 33 7.728 13.531 -4.095 1.00 0.00 N ATOM 421 CA THR 1 33 8.061 13.177 -2.722 1.00 0.00 C ATOM 422 C THR 1 33 8.256 11.674 -2.592 1.00 0.00 C ATOM 423 O THR 1 33 8.915 11.198 -1.668 1.00 0.00 O ATOM 424 CB THR 1 33 6.948 13.628 -1.772 1.00 0.00 C ATOM 425 OG1 THR 1 33 7.400 13.614 -0.430 1.00 0.00 O ATOM 426 CG2 THR 1 33 5.705 12.758 -1.848 1.00 0.00 C ATOM 0 H THR 1 33 6.853 13.130 -4.432 1.00 0.00 H new ATOM 0 HA THR 1 33 8.989 13.683 -2.456 1.00 0.00 H new ATOM 0 HB THR 1 33 6.686 14.637 -2.091 1.00 0.00 H new ATOM 0 HG1 THR 1 33 6.676 13.906 0.162 1.00 0.00 H new ATOM 0 HG21 THR 1 33 4.956 13.132 -1.150 1.00 0.00 H new ATOM 0 HG22 THR 1 33 5.303 12.785 -2.861 1.00 0.00 H new ATOM 0 HG23 THR 1 33 5.963 11.731 -1.588 1.00 0.00 H new ATOM 434 N CYS 1 34 7.654 10.932 -3.514 1.00 0.00 N ATOM 435 CA CYS 1 34 7.732 9.485 -3.498 1.00 0.00 C ATOM 436 C CYS 1 34 6.898 8.945 -2.347 1.00 0.00 C ATOM 437 O CYS 1 34 7.313 8.038 -1.625 1.00 0.00 O ATOM 438 CB CYS 1 34 9.184 9.017 -3.387 1.00 0.00 C ATOM 439 SG CYS 1 34 9.756 8.055 -4.824 1.00 0.00 S ATOM 0 H CYS 1 34 7.105 11.315 -4.284 1.00 0.00 H new ATOM 0 HA CYS 1 34 7.334 9.098 -4.436 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 9.828 9.887 -3.264 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 9.293 8.410 -2.488 1.00 0.00 H new ATOM 444 N LYS 1 35 5.707 9.517 -2.192 1.00 0.00 N ATOM 445 CA LYS 1 35 4.791 9.108 -1.137 1.00 0.00 C ATOM 446 C LYS 1 35 3.357 9.489 -1.489 1.00 0.00 C ATOM 447 O LYS 1 35 3.115 10.234 -2.439 1.00 0.00 O ATOM 448 CB LYS 1 35 5.187 9.748 0.196 1.00 0.00 C ATOM 449 CG LYS 1 35 6.645 9.533 0.568 1.00 0.00 C ATOM 450 CD LYS 1 35 6.945 10.049 1.966 1.00 0.00 C ATOM 451 CE LYS 1 35 6.601 9.015 3.026 1.00 0.00 C ATOM 452 NZ LYS 1 35 6.360 9.642 4.355 1.00 0.00 N ATOM 0 H LYS 1 35 5.355 10.267 -2.787 1.00 0.00 H new ATOM 0 HA LYS 1 35 4.851 8.024 -1.040 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 4.987 10.819 0.148 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 4.556 9.341 0.986 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 6.883 8.471 0.512 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 7.285 10.041 -0.154 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 8.001 10.310 2.040 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 6.377 10.961 2.148 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 5.713 8.462 2.719 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 7.414 8.294 3.107 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 6.128 8.904 5.050 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 7.215 10.149 4.660 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 5.568 10.312 4.284 1.00 0.00 H new ATOM 466 N LEU 1 36 2.412 8.970 -0.716 1.00 0.00 N ATOM 467 CA LEU 1 36 0.997 9.246 -0.934 1.00 0.00 C ATOM 468 C LEU 1 36 0.721 10.747 -0.921 1.00 0.00 C ATOM 469 O LEU 1 36 1.384 11.504 -0.212 1.00 0.00 O ATOM 470 CB LEU 1 36 0.158 8.553 0.142 1.00 0.00 C ATOM 471 CG LEU 1 36 0.377 7.043 0.265 1.00 0.00 C ATOM 472 CD1 LEU 1 36 0.260 6.603 1.716 1.00 0.00 C ATOM 473 CD2 LEU 1 36 -0.620 6.294 -0.603 1.00 0.00 C ATOM 0 H LEU 1 36 2.601 8.352 0.073 1.00 0.00 H new ATOM 0 HA LEU 1 36 0.722 8.857 -1.915 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 0.376 9.016 1.105 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 -0.896 8.736 -0.068 1.00 0.00 H new ATOM 0 HG LEU 1 36 1.383 6.809 -0.082 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 0.419 5.527 1.784 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 1.011 7.119 2.314 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 -0.734 6.848 2.091 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 -0.453 5.221 -0.506 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 -1.634 6.534 -0.282 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 -0.489 6.589 -1.644 1.00 0.00 H new ATOM 485 N THR 1 37 -0.267 11.169 -1.704 1.00 0.00 N ATOM 486 CA THR 1 37 -0.636 12.579 -1.777 1.00 0.00 C ATOM 487 C THR 1 37 -1.659 12.918 -0.697 1.00 0.00 C ATOM 488 O THR 1 37 -2.302 12.025 -0.143 1.00 0.00 O ATOM 489 CB THR 1 37 -1.207 12.911 -3.157 1.00 0.00 C ATOM 490 OG1 THR 1 37 -2.066 11.879 -3.606 1.00 0.00 O ATOM 491 CG2 THR 1 37 -0.142 13.114 -4.213 1.00 0.00 C ATOM 0 H THR 1 37 -0.826 10.555 -2.297 1.00 0.00 H new ATOM 0 HA THR 1 37 0.261 13.177 -1.614 1.00 0.00 H new ATOM 0 HB THR 1 37 -1.749 13.847 -3.027 1.00 0.00 H new ATOM 0 HG1 THR 1 37 -2.581 12.195 -4.378 1.00 0.00 H new ATOM 0 HG21 THR 1 37 -0.615 13.346 -5.167 1.00 0.00 H new ATOM 0 HG22 THR 1 37 0.508 13.938 -3.920 1.00 0.00 H new ATOM 0 HG23 THR 1 37 0.449 12.204 -4.313 1.00 0.00 H new ATOM 499 N PRO 1 38 -1.833 14.213 -0.381 1.00 0.00 N ATOM 500 CA PRO 1 38 -2.791 14.654 0.635 1.00 0.00 C ATOM 501 C PRO 1 38 -4.157 14.000 0.451 1.00 0.00 C ATOM 502 O PRO 1 38 -4.826 14.211 -0.561 1.00 0.00 O ATOM 503 CB PRO 1 38 -2.883 16.175 0.424 1.00 0.00 C ATOM 504 CG PRO 1 38 -2.121 16.462 -0.831 1.00 0.00 C ATOM 505 CD PRO 1 38 -1.127 15.348 -0.982 1.00 0.00 C ATOM 0 HA PRO 1 38 -2.473 14.380 1.641 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 -3.921 16.494 0.332 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 -2.458 16.713 1.271 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 -2.790 16.506 -1.691 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 -1.618 17.427 -0.769 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 -0.878 15.164 -2.027 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 -0.192 15.565 -0.465 1.00 0.00 H new ATOM 513 N GLY 1 39 -4.559 13.198 1.431 1.00 0.00 N ATOM 514 CA GLY 1 39 -5.837 12.516 1.355 1.00 0.00 C ATOM 515 C GLY 1 39 -5.679 11.036 1.066 1.00 0.00 C ATOM 516 O GLY 1 39 -6.554 10.235 1.395 1.00 0.00 O ATOM 0 H GLY 1 39 -4.022 13.008 2.277 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 -6.373 12.646 2.295 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 -6.446 12.974 0.575 1.00 0.00 H new ATOM 520 N SER 1 40 -4.557 10.672 0.451 1.00 0.00 N ATOM 521 CA SER 1 40 -4.281 9.279 0.118 1.00 0.00 C ATOM 522 C SER 1 40 -3.649 8.555 1.301 1.00 0.00 C ATOM 523 O SER 1 40 -2.614 8.977 1.817 1.00 0.00 O ATOM 524 CB SER 1 40 -3.355 9.199 -1.094 1.00 0.00 C ATOM 525 OG SER 1 40 -3.147 7.853 -1.485 1.00 0.00 O ATOM 0 H SER 1 40 -3.824 11.324 0.173 1.00 0.00 H new ATOM 0 HA SER 1 40 -5.227 8.793 -0.122 1.00 0.00 H new ATOM 0 HB2 SER 1 40 -3.786 9.760 -1.923 1.00 0.00 H new ATOM 0 HB3 SER 1 40 -2.398 9.665 -0.857 1.00 0.00 H new ATOM 0 HG SER 1 40 -2.289 7.777 -1.952 1.00 0.00 H new ATOM 531 N GLN 1 41 -4.279 7.467 1.732 1.00 0.00 N ATOM 532 CA GLN 1 41 -3.773 6.695 2.862 1.00 0.00 C ATOM 533 C GLN 1 41 -3.314 5.296 2.447 1.00 0.00 C ATOM 534 O GLN 1 41 -3.036 4.458 3.304 1.00 0.00 O ATOM 535 CB GLN 1 41 -4.847 6.590 3.948 1.00 0.00 C ATOM 536 CG GLN 1 41 -4.637 7.553 5.105 1.00 0.00 C ATOM 537 CD GLN 1 41 -5.936 8.144 5.615 1.00 0.00 C ATOM 538 OE1 GLN 1 41 -6.185 9.341 5.475 1.00 0.00 O ATOM 539 NE2 GLN 1 41 -6.774 7.304 6.212 1.00 0.00 N ATOM 0 H GLN 1 41 -5.137 7.101 1.319 1.00 0.00 H new ATOM 0 HA GLN 1 41 -2.903 7.223 3.253 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 -5.823 6.779 3.502 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 -4.864 5.570 4.333 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 -4.135 7.032 5.920 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 -3.976 8.359 4.787 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 -6.527 6.319 6.307 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 -7.664 7.644 6.576 1.00 0.00 H new ATOM 548 N CYS 1 42 -3.234 5.034 1.142 1.00 0.00 N ATOM 549 CA CYS 1 42 -2.805 3.718 0.669 1.00 0.00 C ATOM 550 C CYS 1 42 -2.227 3.765 -0.746 1.00 0.00 C ATOM 551 O CYS 1 42 -1.078 3.381 -0.965 1.00 0.00 O ATOM 552 CB CYS 1 42 -3.968 2.723 0.736 1.00 0.00 C ATOM 553 SG CYS 1 42 -5.431 3.192 -0.244 1.00 0.00 S ATOM 0 H CYS 1 42 -3.456 5.703 0.405 1.00 0.00 H new ATOM 0 HA CYS 1 42 -2.005 3.385 1.331 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 -3.616 1.750 0.394 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 -4.268 2.605 1.777 1.00 0.00 H new ATOM 558 N ASN 1 43 -3.029 4.220 -1.704 1.00 0.00 N ATOM 559 CA ASN 1 43 -2.610 4.302 -3.105 1.00 0.00 C ATOM 560 C ASN 1 43 -1.864 3.041 -3.557 1.00 0.00 C ATOM 561 O ASN 1 43 -1.117 3.079 -4.533 1.00 0.00 O ATOM 562 CB ASN 1 43 -1.730 5.533 -3.325 1.00 0.00 C ATOM 563 CG ASN 1 43 -1.546 5.853 -4.796 1.00 0.00 C ATOM 564 OD1 ASN 1 43 -2.427 6.432 -5.432 1.00 0.00 O ATOM 565 ND2 ASN 1 43 -0.396 5.477 -5.344 1.00 0.00 N ATOM 0 H ASN 1 43 -3.982 4.541 -1.536 1.00 0.00 H new ATOM 0 HA ASN 1 43 -3.514 4.387 -3.708 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 -2.176 6.391 -2.822 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 -0.755 5.367 -2.867 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 -0.215 5.666 -6.330 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 0.306 5.000 -4.779 1.00 0.00 H new ATOM 572 N TYR 1 44 -2.080 1.930 -2.844 1.00 0.00 N ATOM 573 CA TYR 1 44 -1.442 0.646 -3.153 1.00 0.00 C ATOM 574 C TYR 1 44 -1.524 -0.283 -1.944 1.00 0.00 C ATOM 575 O TYR 1 44 -1.851 0.152 -0.842 1.00 0.00 O ATOM 576 CB TYR 1 44 0.032 0.829 -3.547 1.00 0.00 C ATOM 577 CG TYR 1 44 0.934 1.182 -2.384 1.00 0.00 C ATOM 578 CD1 TYR 1 44 1.370 0.203 -1.501 1.00 0.00 C ATOM 579 CD2 TYR 1 44 1.343 2.491 -2.167 1.00 0.00 C ATOM 580 CE1 TYR 1 44 2.188 0.516 -0.434 1.00 0.00 C ATOM 581 CE2 TYR 1 44 2.163 2.814 -1.102 1.00 0.00 C ATOM 582 CZ TYR 1 44 2.583 1.823 -0.239 1.00 0.00 C ATOM 583 OH TYR 1 44 3.398 2.141 0.823 1.00 0.00 O ATOM 0 H TYR 1 44 -2.702 1.896 -2.036 1.00 0.00 H new ATOM 0 HA TYR 1 44 -1.975 0.209 -3.998 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 0.392 -0.090 -4.009 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 0.103 1.613 -4.301 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 1.064 -0.822 -1.652 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 1.015 3.269 -2.841 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 2.517 -0.258 0.244 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 2.473 3.837 -0.946 1.00 0.00 H new ATOM 0 HH TYR 1 44 4.331 2.168 0.523 1.00 0.00 H new ATOM 593 N GLY 1 45 -1.204 -1.556 -2.150 1.00 0.00 N ATOM 594 CA GLY 1 45 -1.231 -2.512 -1.056 1.00 0.00 C ATOM 595 C GLY 1 45 -2.609 -3.093 -0.807 1.00 0.00 C ATOM 596 O GLY 1 45 -3.611 -2.577 -1.302 1.00 0.00 O ATOM 0 H GLY 1 45 -0.927 -1.943 -3.052 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -0.535 -3.323 -1.273 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -0.879 -2.025 -0.147 1.00 0.00 H new ATOM 600 N GLU 1 46 -2.655 -4.174 -0.034 1.00 0.00 N ATOM 601 CA GLU 1 46 -3.912 -4.839 0.287 1.00 0.00 C ATOM 602 C GLU 1 46 -4.824 -3.931 1.103 1.00 0.00 C ATOM 603 O GLU 1 46 -6.028 -3.859 0.855 1.00 0.00 O ATOM 604 CB GLU 1 46 -3.644 -6.128 1.066 1.00 0.00 C ATOM 605 CG GLU 1 46 -3.575 -7.368 0.190 1.00 0.00 C ATOM 606 CD GLU 1 46 -2.195 -7.589 -0.398 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -1.199 -7.295 0.296 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -2.110 -8.057 -1.553 1.00 0.00 O ATOM 0 H GLU 1 46 -1.832 -4.609 0.383 1.00 0.00 H new ATOM 0 HA GLU 1 46 -4.412 -5.077 -0.652 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -2.705 -6.025 1.609 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -4.429 -6.263 1.810 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -3.859 -8.240 0.778 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -4.301 -7.278 -0.618 1.00 0.00 H new ATOM 615 N CYS 1 47 -4.247 -3.253 2.089 1.00 0.00 N ATOM 616 CA CYS 1 47 -5.019 -2.365 2.953 1.00 0.00 C ATOM 617 C CYS 1 47 -5.688 -1.239 2.173 1.00 0.00 C ATOM 618 O CYS 1 47 -6.576 -0.568 2.694 1.00 0.00 O ATOM 619 CB CYS 1 47 -4.128 -1.768 4.039 1.00 0.00 C ATOM 620 SG CYS 1 47 -4.838 -1.872 5.710 1.00 0.00 S ATOM 0 H CYS 1 47 -3.252 -3.300 2.310 1.00 0.00 H new ATOM 0 HA CYS 1 47 -5.802 -2.971 3.409 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 -3.167 -2.282 4.030 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 -3.933 -0.722 3.802 1.00 0.00 H new ATOM 625 N CYS 1 48 -5.259 -1.008 0.939 1.00 0.00 N ATOM 626 CA CYS 1 48 -5.837 0.069 0.154 1.00 0.00 C ATOM 627 C CYS 1 48 -7.289 -0.206 -0.213 1.00 0.00 C ATOM 628 O CYS 1 48 -7.648 -1.301 -0.645 1.00 0.00 O ATOM 629 CB CYS 1 48 -5.027 0.323 -1.114 1.00 0.00 C ATOM 630 SG CYS 1 48 -5.331 1.960 -1.854 1.00 0.00 S ATOM 0 H CYS 1 48 -4.527 -1.541 0.469 1.00 0.00 H new ATOM 0 HA CYS 1 48 -5.808 0.960 0.781 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 -3.966 0.229 -0.883 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 -5.263 -0.448 -1.847 1.00 0.00 H new ATOM 635 N ASP 1 49 -8.111 0.821 -0.036 1.00 0.00 N ATOM 636 CA ASP 1 49 -9.533 0.756 -0.339 1.00 0.00 C ATOM 637 C ASP 1 49 -10.100 2.169 -0.390 1.00 0.00 C ATOM 638 O ASP 1 49 -10.197 2.844 0.635 1.00 0.00 O ATOM 639 CB ASP 1 49 -10.270 -0.073 0.715 1.00 0.00 C ATOM 640 CG ASP 1 49 -11.413 -0.874 0.124 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -12.496 -0.291 -0.096 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -11.227 -2.085 -0.117 1.00 0.00 O ATOM 0 H ASP 1 49 -7.807 1.726 0.323 1.00 0.00 H new ATOM 0 HA ASP 1 49 -9.671 0.274 -1.307 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -9.566 -0.751 1.198 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -10.656 0.589 1.490 1.00 0.00 H new ATOM 647 N GLN 1 50 -10.445 2.626 -1.588 1.00 0.00 N ATOM 648 CA GLN 1 50 -10.970 3.975 -1.759 1.00 0.00 C ATOM 649 C GLN 1 50 -9.914 4.998 -1.351 1.00 0.00 C ATOM 650 O GLN 1 50 -10.234 6.068 -0.833 1.00 0.00 O ATOM 651 CB GLN 1 50 -12.240 4.167 -0.927 1.00 0.00 C ATOM 652 CG GLN 1 50 -13.272 5.065 -1.590 1.00 0.00 C ATOM 653 CD GLN 1 50 -14.689 4.557 -1.409 1.00 0.00 C ATOM 654 OE1 GLN 1 50 -15.534 5.235 -0.826 1.00 0.00 O ATOM 655 NE2 GLN 1 50 -14.955 3.356 -1.910 1.00 0.00 N ATOM 0 H GLN 1 50 -10.371 2.086 -2.450 1.00 0.00 H new ATOM 0 HA GLN 1 50 -11.222 4.122 -2.809 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 -12.689 3.193 -0.734 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 -11.970 4.591 0.040 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 -13.194 6.070 -1.175 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 -13.051 5.142 -2.655 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 -14.223 2.828 -2.386 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 -15.891 2.961 -1.819 1.00 0.00 H new ATOM 664 N CYS 1 51 -8.651 4.647 -1.583 1.00 0.00 N ATOM 665 CA CYS 1 51 -7.526 5.512 -1.242 1.00 0.00 C ATOM 666 C CYS 1 51 -7.393 5.670 0.272 1.00 0.00 C ATOM 667 O CYS 1 51 -6.963 6.715 0.761 1.00 0.00 O ATOM 668 CB CYS 1 51 -7.670 6.881 -1.910 1.00 0.00 C ATOM 669 SG CYS 1 51 -6.854 6.997 -3.537 1.00 0.00 S ATOM 0 H CYS 1 51 -8.381 3.761 -2.010 1.00 0.00 H new ATOM 0 HA CYS 1 51 -6.618 5.039 -1.616 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 -8.730 7.107 -2.029 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 -7.254 7.642 -1.250 1.00 0.00 H new ATOM 674 N ARG 1 52 -7.759 4.621 1.008 1.00 0.00 N ATOM 675 CA ARG 1 52 -7.674 4.638 2.467 1.00 0.00 C ATOM 676 C ARG 1 52 -7.308 3.256 3.006 1.00 0.00 C ATOM 677 O ARG 1 52 -7.776 2.239 2.494 1.00 0.00 O ATOM 678 CB ARG 1 52 -9.002 5.099 3.071 1.00 0.00 C ATOM 679 CG ARG 1 52 -9.585 6.328 2.393 1.00 0.00 C ATOM 680 CD ARG 1 52 -8.750 7.568 2.675 1.00 0.00 C ATOM 681 NE ARG 1 52 -9.210 8.278 3.866 1.00 0.00 N ATOM 682 CZ ARG 1 52 -10.381 8.905 3.950 1.00 0.00 C ATOM 683 NH1 ARG 1 52 -11.213 8.913 2.916 1.00 0.00 N ATOM 684 NH2 ARG 1 52 -10.721 9.526 5.071 1.00 0.00 N ATOM 0 H ARG 1 52 -8.117 3.749 0.618 1.00 0.00 H new ATOM 0 HA ARG 1 52 -6.890 5.340 2.753 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 -9.723 4.284 3.008 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 -8.855 5.314 4.129 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 -9.638 6.161 1.317 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 -10.605 6.488 2.742 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 -7.707 7.281 2.805 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 -8.792 8.237 1.815 1.00 0.00 H new ATOM 0 HE ARG 1 52 -8.597 8.294 4.681 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 -10.956 8.437 2.051 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 -12.109 9.395 2.986 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 -10.085 9.523 5.869 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 -11.618 10.007 5.136 1.00 0.00 H new ATOM 698 N PHE 1 53 -6.465 3.224 4.037 1.00 0.00 N ATOM 699 CA PHE 1 53 -6.039 1.961 4.634 1.00 0.00 C ATOM 700 C PHE 1 53 -7.204 1.234 5.287 1.00 0.00 C ATOM 701 O PHE 1 53 -7.986 1.828 6.029 1.00 0.00 O ATOM 702 CB PHE 1 53 -4.945 2.186 5.683 1.00 0.00 C ATOM 703 CG PHE 1 53 -3.570 2.390 5.111 1.00 0.00 C ATOM 704 CD1 PHE 1 53 -3.198 1.789 3.918 1.00 0.00 C ATOM 705 CD2 PHE 1 53 -2.647 3.181 5.773 1.00 0.00 C ATOM 706 CE1 PHE 1 53 -1.934 1.974 3.398 1.00 0.00 C ATOM 707 CE2 PHE 1 53 -1.380 3.370 5.258 1.00 0.00 C ATOM 708 CZ PHE 1 53 -1.022 2.766 4.068 1.00 0.00 C ATOM 0 H PHE 1 53 -6.065 4.055 4.474 1.00 0.00 H new ATOM 0 HA PHE 1 53 -5.644 1.348 3.824 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 -5.208 3.056 6.284 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 -4.922 1.329 6.356 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 -3.907 1.169 3.390 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 -2.921 3.656 6.703 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 -1.658 1.500 2.468 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 -0.669 3.989 5.785 1.00 0.00 H new ATOM 0 HZ PHE 1 53 -0.032 2.913 3.663 1.00 0.00 H new ATOM 718 N LYS 1 54 -7.298 -0.061 5.021 1.00 0.00 N ATOM 719 CA LYS 1 54 -8.352 -0.882 5.598 1.00 0.00 C ATOM 720 C LYS 1 54 -8.256 -0.851 7.119 1.00 0.00 C ATOM 721 O LYS 1 54 -7.421 -1.535 7.711 1.00 0.00 O ATOM 722 CB LYS 1 54 -8.249 -2.321 5.088 1.00 0.00 C ATOM 723 CG LYS 1 54 -9.232 -2.642 3.975 1.00 0.00 C ATOM 724 CD LYS 1 54 -8.675 -3.689 3.023 1.00 0.00 C ATOM 725 CE LYS 1 54 -9.004 -3.357 1.576 1.00 0.00 C ATOM 726 NZ LYS 1 54 -9.311 -4.578 0.782 1.00 0.00 N ATOM 0 H LYS 1 54 -6.657 -0.566 4.409 1.00 0.00 H new ATOM 0 HA LYS 1 54 -9.319 -0.479 5.295 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -7.235 -2.499 4.729 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -8.418 -3.006 5.919 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -10.166 -3.001 4.406 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -9.465 -1.733 3.421 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -7.594 -3.755 3.146 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -9.085 -4.667 3.275 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -9.857 -2.679 1.544 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -8.163 -2.832 1.124 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -9.530 -4.309 -0.198 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -8.488 -5.214 0.791 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -10.130 -5.066 1.198 1.00 0.00 H new ATOM 740 N LYS 1 55 -9.108 -0.033 7.735 1.00 0.00 N ATOM 741 CA LYS 1 55 -9.140 0.137 9.188 1.00 0.00 C ATOM 742 C LYS 1 55 -8.649 -1.100 9.935 1.00 0.00 C ATOM 743 O LYS 1 55 -8.997 -2.238 9.596 1.00 0.00 O ATOM 744 CB LYS 1 55 -10.560 0.480 9.642 1.00 0.00 C ATOM 745 CG LYS 1 55 -10.671 0.761 11.132 1.00 0.00 C ATOM 746 CD LYS 1 55 -12.050 1.284 11.499 1.00 0.00 C ATOM 747 CE LYS 1 55 -12.203 1.445 13.002 1.00 0.00 C ATOM 748 NZ LYS 1 55 -12.837 0.251 13.627 1.00 0.00 N ATOM 0 H LYS 1 55 -9.798 0.532 7.240 1.00 0.00 H new ATOM 0 HA LYS 1 55 -8.460 0.954 9.429 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 -10.909 1.352 9.089 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 -11.224 -0.346 9.386 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 -10.466 -0.152 11.692 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 -9.915 1.490 11.423 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 -12.218 2.244 11.010 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 -12.811 0.599 11.126 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 -11.224 1.613 13.451 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 -12.806 2.328 13.213 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 -12.923 0.401 14.653 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 -13.782 0.105 13.218 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 -12.249 -0.588 13.448 1.00 0.00 H new ATOM 762 N ALA 1 56 -7.840 -0.867 10.965 1.00 0.00 N ATOM 763 CA ALA 1 56 -7.309 -1.955 11.771 1.00 0.00 C ATOM 764 C ALA 1 56 -8.427 -2.907 12.154 1.00 0.00 C ATOM 765 O ALA 1 56 -9.440 -2.493 12.718 1.00 0.00 O ATOM 766 CB ALA 1 56 -6.628 -1.428 13.021 1.00 0.00 C ATOM 0 H ALA 1 56 -7.540 0.063 11.258 1.00 0.00 H new ATOM 0 HA ALA 1 56 -6.566 -2.487 11.177 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 -6.241 -2.264 13.604 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 -5.806 -0.771 12.738 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 -7.348 -0.870 13.620 1.00 0.00 H new ATOM 772 N GLY 1 57 -8.255 -4.171 11.823 1.00 0.00 N ATOM 773 CA GLY 1 57 -9.279 -5.146 12.120 1.00 0.00 C ATOM 774 C GLY 1 57 -9.937 -5.656 10.858 1.00 0.00 C ATOM 775 O GLY 1 57 -10.895 -6.423 10.915 1.00 0.00 O ATOM 0 H GLY 1 57 -7.428 -4.541 11.355 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -8.841 -5.981 12.667 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -10.032 -4.699 12.770 1.00 0.00 H new ATOM 779 N THR 1 58 -9.413 -5.233 9.711 1.00 0.00 N ATOM 780 CA THR 1 58 -9.943 -5.663 8.429 1.00 0.00 C ATOM 781 C THR 1 58 -9.242 -6.928 7.943 1.00 0.00 C ATOM 782 O THR 1 58 -8.018 -6.959 7.823 1.00 0.00 O ATOM 783 CB THR 1 58 -9.758 -4.565 7.389 1.00 0.00 C ATOM 784 OG1 THR 1 58 -10.324 -3.346 7.834 1.00 0.00 O ATOM 785 CG2 THR 1 58 -10.389 -4.914 6.062 1.00 0.00 C ATOM 0 H THR 1 58 -8.622 -4.593 9.647 1.00 0.00 H new ATOM 0 HA THR 1 58 -11.004 -5.873 8.562 1.00 0.00 H new ATOM 0 HB THR 1 58 -8.681 -4.461 7.253 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -9.739 -2.941 8.508 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -10.228 -4.098 5.357 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -9.936 -5.825 5.672 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -11.459 -5.071 6.198 1.00 0.00 H new ATOM 793 N VAL 1 59 -10.020 -7.964 7.642 1.00 0.00 N ATOM 794 CA VAL 1 59 -9.453 -9.212 7.145 1.00 0.00 C ATOM 795 C VAL 1 59 -9.192 -9.106 5.647 1.00 0.00 C ATOM 796 O VAL 1 59 -10.114 -8.873 4.866 1.00 0.00 O ATOM 797 CB VAL 1 59 -10.378 -10.416 7.418 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -11.697 -10.265 6.675 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -9.686 -11.717 7.034 1.00 0.00 C ATOM 0 H VAL 1 59 -11.036 -7.964 7.733 1.00 0.00 H new ATOM 0 HA VAL 1 59 -8.517 -9.378 7.678 1.00 0.00 H new ATOM 0 HB VAL 1 59 -10.596 -10.446 8.486 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -12.332 -11.126 6.883 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -12.199 -9.355 7.005 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -11.506 -10.205 5.603 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -10.353 -12.556 7.233 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -9.435 -11.696 5.973 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -8.774 -11.831 7.620 1.00 0.00 H new ATOM 809 N CYS 1 60 -7.932 -9.252 5.247 1.00 0.00 N ATOM 810 CA CYS 1 60 -7.578 -9.141 3.830 1.00 0.00 C ATOM 811 C CYS 1 60 -6.767 -10.338 3.330 1.00 0.00 C ATOM 812 O CYS 1 60 -6.433 -10.409 2.147 1.00 0.00 O ATOM 813 CB CYS 1 60 -6.802 -7.843 3.565 1.00 0.00 C ATOM 814 SG CYS 1 60 -6.211 -6.982 5.060 1.00 0.00 S ATOM 0 H CYS 1 60 -7.148 -9.444 5.871 1.00 0.00 H new ATOM 0 HA CYS 1 60 -8.517 -9.126 3.277 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -5.944 -8.072 2.933 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -7.441 -7.164 3.001 1.00 0.00 H new ATOM 819 N ARG 1 61 -6.446 -11.272 4.217 1.00 0.00 N ATOM 820 CA ARG 1 61 -5.671 -12.446 3.827 1.00 0.00 C ATOM 821 C ARG 1 61 -5.970 -13.634 4.738 1.00 0.00 C ATOM 822 O ARG 1 61 -6.808 -13.549 5.635 1.00 0.00 O ATOM 823 CB ARG 1 61 -4.173 -12.125 3.847 1.00 0.00 C ATOM 824 CG ARG 1 61 -3.522 -12.180 2.473 1.00 0.00 C ATOM 825 CD ARG 1 61 -2.214 -12.957 2.502 1.00 0.00 C ATOM 826 NE ARG 1 61 -1.300 -12.456 3.526 1.00 0.00 N ATOM 827 CZ ARG 1 61 -0.656 -11.295 3.444 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -0.819 -10.511 2.386 1.00 0.00 N ATOM 829 NH2 ARG 1 61 0.153 -10.918 4.424 1.00 0.00 N ATOM 0 H ARG 1 61 -6.707 -11.242 5.203 1.00 0.00 H new ATOM 0 HA ARG 1 61 -5.961 -12.719 2.812 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -4.028 -11.131 4.269 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -3.667 -12.829 4.508 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -4.207 -12.646 1.764 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -3.336 -11.167 2.117 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -2.423 -14.011 2.687 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -1.734 -12.894 1.526 1.00 0.00 H new ATOM 0 HE ARG 1 61 -1.146 -13.032 4.354 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -1.441 -10.797 1.630 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 -0.322 -9.622 2.329 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 0.281 -11.518 5.239 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 0.648 -10.028 4.363 1.00 0.00 H new ATOM 843 N ILE 1 62 -5.278 -14.741 4.495 1.00 0.00 N ATOM 844 CA ILE 1 62 -5.459 -15.953 5.283 1.00 0.00 C ATOM 845 C ILE 1 62 -4.259 -16.873 5.126 1.00 0.00 C ATOM 846 O ILE 1 62 -3.880 -17.233 4.011 1.00 0.00 O ATOM 847 CB ILE 1 62 -6.739 -16.735 4.892 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -7.534 -16.001 3.808 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -7.606 -16.969 6.119 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -6.716 -15.660 2.581 1.00 0.00 C ATOM 0 H ILE 1 62 -4.582 -14.823 3.754 1.00 0.00 H new ATOM 0 HA ILE 1 62 -5.561 -15.632 6.320 1.00 0.00 H new ATOM 0 HB ILE 1 62 -6.433 -17.698 4.484 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -8.381 -16.619 3.509 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -7.943 -15.082 4.229 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -8.502 -17.519 5.832 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -7.046 -17.546 6.855 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -7.892 -16.010 6.551 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -7.345 -15.142 1.857 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -5.884 -15.016 2.866 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -6.329 -16.576 2.135 1.00 0.00 H new ATOM 862 N ALA 1 63 -3.663 -17.249 6.247 1.00 0.00 N ATOM 863 CA ALA 1 63 -2.501 -18.128 6.236 1.00 0.00 C ATOM 864 C ALA 1 63 -2.758 -19.384 5.413 1.00 0.00 C ATOM 865 O ALA 1 63 -2.256 -19.520 4.298 1.00 0.00 O ATOM 866 CB ALA 1 63 -2.102 -18.495 7.655 1.00 0.00 C ATOM 0 H ALA 1 63 -3.964 -16.960 7.178 1.00 0.00 H new ATOM 0 HA ALA 1 63 -1.679 -17.587 5.767 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -1.233 -19.152 7.630 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -1.857 -17.589 8.210 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -2.930 -19.007 8.145 1.00 0.00 H new ATOM 872 N ARG 1 64 -3.542 -20.301 5.969 1.00 0.00 N ATOM 873 CA ARG 1 64 -3.860 -21.548 5.279 1.00 0.00 C ATOM 874 C ARG 1 64 -4.998 -22.290 5.976 1.00 0.00 C ATOM 875 O ARG 1 64 -4.870 -23.464 6.325 1.00 0.00 O ATOM 876 CB ARG 1 64 -2.615 -22.439 5.199 1.00 0.00 C ATOM 877 CG ARG 1 64 -1.976 -22.476 3.820 1.00 0.00 C ATOM 878 CD ARG 1 64 -2.986 -22.847 2.746 1.00 0.00 C ATOM 879 NE ARG 1 64 -2.354 -23.499 1.601 1.00 0.00 N ATOM 880 CZ ARG 1 64 -1.567 -22.870 0.731 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -1.312 -21.574 0.872 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -1.032 -23.537 -0.282 1.00 0.00 N ATOM 0 H ARG 1 64 -3.968 -20.206 6.891 1.00 0.00 H new ATOM 0 HA ARG 1 64 -4.188 -21.302 4.269 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -1.879 -22.085 5.921 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -2.886 -23.454 5.491 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -1.543 -21.502 3.592 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -1.158 -23.197 3.816 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -3.739 -23.511 3.171 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -3.505 -21.949 2.411 1.00 0.00 H new ATOM 0 HE ARG 1 64 -2.526 -24.494 1.460 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -1.720 -21.056 1.650 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -0.708 -21.097 0.202 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -1.223 -24.532 -0.395 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -0.429 -23.055 -0.948 1.00 0.00 H new ATOM 896 N GLY 1 65 -6.114 -21.599 6.174 1.00 0.00 N ATOM 897 CA GLY 1 65 -7.256 -22.211 6.825 1.00 0.00 C ATOM 898 C GLY 1 65 -8.107 -21.201 7.564 1.00 0.00 C ATOM 899 O GLY 1 65 -8.839 -20.427 6.948 1.00 0.00 O ATOM 0 H GLY 1 65 -6.248 -20.627 5.896 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -7.866 -22.720 6.079 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -6.908 -22.971 7.525 1.00 0.00 H new ATOM 903 N ASP 1 66 -8.007 -21.204 8.888 1.00 0.00 N ATOM 904 CA ASP 1 66 -8.771 -20.276 9.711 1.00 0.00 C ATOM 905 C ASP 1 66 -8.391 -20.404 11.181 1.00 0.00 C ATOM 906 O ASP 1 66 -9.062 -21.090 11.953 1.00 0.00 O ATOM 907 CB ASP 1 66 -10.269 -20.519 9.537 1.00 0.00 C ATOM 908 CG ASP 1 66 -10.897 -19.572 8.533 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -11.015 -18.368 8.845 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -11.272 -20.034 7.435 1.00 0.00 O ATOM 0 H ASP 1 66 -7.405 -21.838 9.413 1.00 0.00 H new ATOM 0 HA ASP 1 66 -8.533 -19.264 9.382 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -10.432 -21.547 9.213 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -10.767 -20.405 10.500 1.00 0.00 H new ATOM 915 N TRP 1 67 -7.310 -19.737 11.557 1.00 0.00 N ATOM 916 CA TRP 1 67 -6.823 -19.761 12.932 1.00 0.00 C ATOM 917 C TRP 1 67 -6.803 -18.352 13.503 1.00 0.00 C ATOM 918 O TRP 1 67 -7.586 -18.009 14.389 1.00 0.00 O ATOM 919 CB TRP 1 67 -5.415 -20.364 12.981 1.00 0.00 C ATOM 920 CG TRP 1 67 -4.867 -20.688 11.629 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -4.376 -19.808 10.711 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -4.773 -21.983 11.036 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -3.975 -20.480 9.584 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -4.209 -21.817 9.759 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -5.108 -23.266 11.465 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -3.975 -22.888 8.906 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -4.875 -24.333 10.617 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -4.313 -24.138 9.349 1.00 0.00 C ATOM 0 H TRP 1 67 -6.748 -19.167 10.925 1.00 0.00 H new ATOM 0 HA TRP 1 67 -7.493 -20.377 13.532 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -4.744 -19.665 13.480 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -5.436 -21.271 13.585 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -4.312 -18.739 10.850 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -3.569 -20.053 8.752 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -5.541 -23.424 12.442 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -3.542 -22.740 7.928 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -5.130 -25.332 10.937 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -4.143 -24.991 8.708 1.00 0.00 H new ATOM 939 N ASN 1 68 -5.902 -17.543 12.971 1.00 0.00 N ATOM 940 CA ASN 1 68 -5.760 -16.156 13.396 1.00 0.00 C ATOM 941 C ASN 1 68 -6.337 -15.216 12.342 1.00 0.00 C ATOM 942 O ASN 1 68 -6.760 -14.103 12.655 1.00 0.00 O ATOM 943 CB ASN 1 68 -4.289 -15.817 13.645 1.00 0.00 C ATOM 944 CG ASN 1 68 -3.540 -16.941 14.336 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -3.313 -16.900 15.546 1.00 0.00 O ATOM 946 ND2 ASN 1 68 -3.150 -17.953 13.568 1.00 0.00 N ATOM 0 H ASN 1 68 -5.252 -17.824 12.237 1.00 0.00 H new ATOM 0 HA ASN 1 68 -6.312 -16.027 14.327 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -3.805 -15.594 12.694 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -4.226 -14.915 14.254 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -2.641 -18.737 13.977 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -3.359 -17.946 12.570 1.00 0.00 H new ATOM 953 N ASP 1 69 -6.349 -15.674 11.091 1.00 0.00 N ATOM 954 CA ASP 1 69 -6.874 -14.879 9.986 1.00 0.00 C ATOM 955 C ASP 1 69 -6.051 -13.616 9.784 1.00 0.00 C ATOM 956 O ASP 1 69 -5.700 -12.937 10.747 1.00 0.00 O ATOM 957 CB ASP 1 69 -8.329 -14.499 10.248 1.00 0.00 C ATOM 958 CG ASP 1 69 -9.234 -15.709 10.362 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -8.925 -16.607 11.173 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -10.252 -15.759 9.640 1.00 0.00 O ATOM 0 H ASP 1 69 -6.000 -16.593 10.819 1.00 0.00 H new ATOM 0 HA ASP 1 69 -6.815 -15.486 9.082 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -8.389 -13.917 11.167 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -8.685 -13.858 9.441 1.00 0.00 H new ATOM 965 N ASP 1 70 -5.750 -13.300 8.531 1.00 0.00 N ATOM 966 CA ASP 1 70 -4.972 -12.109 8.222 1.00 0.00 C ATOM 967 C ASP 1 70 -5.811 -10.856 8.393 1.00 0.00 C ATOM 968 O ASP 1 70 -6.894 -10.737 7.821 1.00 0.00 O ATOM 969 CB ASP 1 70 -4.425 -12.170 6.802 1.00 0.00 C ATOM 970 CG ASP 1 70 -3.278 -11.208 6.590 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -3.445 -10.015 6.913 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -2.215 -11.646 6.103 1.00 0.00 O ATOM 0 H ASP 1 70 -6.031 -13.848 7.718 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.136 -12.072 8.920 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -4.090 -13.185 6.587 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -5.224 -11.941 6.097 1.00 0.00 H new ATOM 977 N TYR 1 71 -5.306 -9.927 9.192 1.00 0.00 N ATOM 978 CA TYR 1 71 -6.014 -8.687 9.454 1.00 0.00 C ATOM 979 C TYR 1 71 -5.106 -7.480 9.330 1.00 0.00 C ATOM 980 O TYR 1 71 -3.981 -7.488 9.827 1.00 0.00 O ATOM 981 CB TYR 1 71 -6.604 -8.725 10.854 1.00 0.00 C ATOM 982 CG TYR 1 71 -7.969 -9.346 10.894 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -8.135 -10.717 10.796 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -9.089 -8.553 11.011 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -9.391 -11.282 10.818 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -10.352 -9.099 11.033 1.00 0.00 C ATOM 987 CZ TYR 1 71 -10.502 -10.469 10.937 1.00 0.00 C ATOM 988 OH TYR 1 71 -11.761 -11.024 10.957 1.00 0.00 O ATOM 0 H TYR 1 71 -4.408 -10.011 9.669 1.00 0.00 H new ATOM 0 HA TYR 1 71 -6.804 -8.593 8.709 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -5.936 -9.284 11.509 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -6.660 -7.710 11.247 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -7.267 -11.353 10.701 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -8.974 -7.482 11.087 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -9.507 -12.353 10.743 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -11.219 -8.462 11.125 1.00 0.00 H new ATOM 0 HH TYR 1 71 -12.430 -10.314 11.047 1.00 0.00 H new ATOM 998 N CYS 1 72 -5.604 -6.432 8.686 1.00 0.00 N ATOM 999 CA CYS 1 72 -4.821 -5.222 8.536 1.00 0.00 C ATOM 1000 C CYS 1 72 -4.761 -4.462 9.850 1.00 0.00 C ATOM 1001 O CYS 1 72 -5.238 -4.943 10.878 1.00 0.00 O ATOM 1002 CB CYS 1 72 -5.370 -4.326 7.432 1.00 0.00 C ATOM 1003 SG CYS 1 72 -4.051 -3.596 6.415 1.00 0.00 S ATOM 0 H CYS 1 72 -6.533 -6.399 8.266 1.00 0.00 H new ATOM 0 HA CYS 1 72 -3.812 -5.519 8.250 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -6.038 -4.906 6.795 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 -5.966 -3.529 7.877 1.00 0.00 H new ATOM 1008 N THR 1 73 -4.162 -3.280 9.820 1.00 0.00 N ATOM 1009 CA THR 1 73 -4.032 -2.471 11.022 1.00 0.00 C ATOM 1010 C THR 1 73 -4.460 -1.023 10.772 1.00 0.00 C ATOM 1011 O THR 1 73 -4.275 -0.158 11.627 1.00 0.00 O ATOM 1012 CB THR 1 73 -2.587 -2.519 11.524 1.00 0.00 C ATOM 1013 OG1 THR 1 73 -1.788 -1.563 10.850 1.00 0.00 O ATOM 1014 CG2 THR 1 73 -1.936 -3.877 11.337 1.00 0.00 C ATOM 0 H THR 1 73 -3.760 -2.862 8.981 1.00 0.00 H new ATOM 0 HA THR 1 73 -4.694 -2.884 11.783 1.00 0.00 H new ATOM 0 HB THR 1 73 -2.643 -2.302 12.591 1.00 0.00 H new ATOM 0 HG1 THR 1 73 -0.869 -1.609 11.187 1.00 0.00 H new ATOM 0 HG21 THR 1 73 -0.913 -3.845 11.713 1.00 0.00 H new ATOM 0 HG22 THR 1 73 -2.501 -4.630 11.886 1.00 0.00 H new ATOM 0 HG23 THR 1 73 -1.925 -4.133 10.277 1.00 0.00 H new ATOM 1022 N GLY 1 74 -5.038 -0.767 9.599 1.00 0.00 N ATOM 1023 CA GLY 1 74 -5.487 0.575 9.266 1.00 0.00 C ATOM 1024 C GLY 1 74 -4.394 1.618 9.407 1.00 0.00 C ATOM 1025 O GLY 1 74 -4.678 2.806 9.559 1.00 0.00 O ATOM 0 H GLY 1 74 -5.203 -1.465 8.874 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 -5.860 0.584 8.242 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 -6.323 0.843 9.912 1.00 0.00 H new ATOM 1029 N LYS 1 75 -3.142 1.176 9.358 1.00 0.00 N ATOM 1030 CA LYS 1 75 -2.006 2.084 9.482 1.00 0.00 C ATOM 1031 C LYS 1 75 -1.084 1.980 8.271 1.00 0.00 C ATOM 1032 O LYS 1 75 -0.412 2.945 7.907 1.00 0.00 O ATOM 1033 CB LYS 1 75 -1.224 1.781 10.760 1.00 0.00 C ATOM 1034 CG LYS 1 75 -2.029 2.002 12.029 1.00 0.00 C ATOM 1035 CD LYS 1 75 -1.178 2.612 13.131 1.00 0.00 C ATOM 1036 CE LYS 1 75 -0.013 1.708 13.500 1.00 0.00 C ATOM 1037 NZ LYS 1 75 1.242 2.105 12.803 1.00 0.00 N ATOM 0 H LYS 1 75 -2.888 0.196 9.233 1.00 0.00 H new ATOM 0 HA LYS 1 75 -2.393 3.102 9.531 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 -0.883 0.746 10.731 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 -0.334 2.409 10.790 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 -2.874 2.657 11.816 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 -2.441 1.052 12.370 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 -0.799 3.581 12.806 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 -1.795 2.790 14.012 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 0.145 1.741 14.578 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 -0.259 0.677 13.245 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 2.059 1.891 13.410 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 1.326 1.577 11.911 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 1.219 3.125 12.601 1.00 0.00 H new ATOM 1051 N SER 1 76 -1.055 0.805 7.652 1.00 0.00 N ATOM 1052 CA SER 1 76 -0.215 0.576 6.485 1.00 0.00 C ATOM 1053 C SER 1 76 -0.974 -0.198 5.416 1.00 0.00 C ATOM 1054 O SER 1 76 -2.102 -0.639 5.636 1.00 0.00 O ATOM 1055 CB SER 1 76 1.050 -0.187 6.883 1.00 0.00 C ATOM 1056 OG SER 1 76 2.170 0.257 6.138 1.00 0.00 O ATOM 0 H SER 1 76 -1.605 -0.004 7.940 1.00 0.00 H new ATOM 0 HA SER 1 76 0.069 1.545 6.075 1.00 0.00 H new ATOM 0 HB2 SER 1 76 1.241 -0.051 7.948 1.00 0.00 H new ATOM 0 HB3 SER 1 76 0.901 -1.254 6.720 1.00 0.00 H new ATOM 0 HG SER 1 76 2.965 -0.245 6.413 1.00 0.00 H new ATOM 1062 N SER 1 77 -0.345 -0.364 4.259 1.00 0.00 N ATOM 1063 CA SER 1 77 -0.956 -1.092 3.154 1.00 0.00 C ATOM 1064 C SER 1 77 -0.679 -2.589 3.262 1.00 0.00 C ATOM 1065 O SER 1 77 -0.957 -3.347 2.332 1.00 0.00 O ATOM 1066 CB SER 1 77 -0.432 -0.561 1.817 1.00 0.00 C ATOM 1067 OG SER 1 77 0.338 0.615 1.998 1.00 0.00 O ATOM 0 H SER 1 77 0.589 -0.004 4.062 1.00 0.00 H new ATOM 0 HA SER 1 77 -2.034 -0.938 3.205 1.00 0.00 H new ATOM 0 HB2 SER 1 77 0.175 -1.325 1.332 1.00 0.00 H new ATOM 0 HB3 SER 1 77 -1.270 -0.351 1.153 1.00 0.00 H new ATOM 0 HG SER 1 77 0.845 0.803 1.181 1.00 0.00 H new ATOM 1073 N ASP 1 78 -0.126 -3.011 4.397 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.192 -4.418 4.609 1.00 0.00 C ATOM 1075 C ASP 1 78 -0.840 -5.095 5.504 1.00 0.00 C ATOM 1076 O ASP 1 78 -1.338 -4.503 6.459 1.00 0.00 O ATOM 1077 CB ASP 1 78 1.587 -4.563 5.219 1.00 0.00 C ATOM 1078 CG ASP 1 78 2.667 -3.962 4.341 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 2.474 -2.828 3.854 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 3.706 -4.625 4.140 1.00 0.00 O ATOM 0 H ASP 1 78 0.110 -2.401 5.180 1.00 0.00 H new ATOM 0 HA ASP 1 78 0.172 -4.911 3.637 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 1.606 -4.079 6.196 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 1.801 -5.619 5.382 1.00 0.00 H new ATOM 1085 N CYS 1 79 -1.151 -6.344 5.177 1.00 0.00 N ATOM 1086 CA CYS 1 79 -2.124 -7.127 5.929 1.00 0.00 C ATOM 1087 C CYS 1 79 -1.461 -8.347 6.572 1.00 0.00 C ATOM 1088 O CYS 1 79 -1.260 -9.367 5.914 1.00 0.00 O ATOM 1089 CB CYS 1 79 -3.245 -7.585 4.995 1.00 0.00 C ATOM 1090 SG CYS 1 79 -4.397 -6.263 4.508 1.00 0.00 S ATOM 0 H CYS 1 79 -0.738 -6.840 4.387 1.00 0.00 H new ATOM 0 HA CYS 1 79 -2.536 -6.500 6.720 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -2.801 -8.014 4.097 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.808 -8.380 5.484 1.00 0.00 H new ATOM 1095 N PRO 1 80 -1.111 -8.262 7.868 1.00 0.00 N ATOM 1096 CA PRO 1 80 -0.468 -9.372 8.588 1.00 0.00 C ATOM 1097 C PRO 1 80 -1.409 -10.558 8.815 1.00 0.00 C ATOM 1098 O PRO 1 80 -2.565 -10.382 9.201 1.00 0.00 O ATOM 1099 CB PRO 1 80 -0.075 -8.740 9.927 1.00 0.00 C ATOM 1100 CG PRO 1 80 -1.032 -7.615 10.110 1.00 0.00 C ATOM 1101 CD PRO 1 80 -1.307 -7.083 8.732 1.00 0.00 C ATOM 0 HA PRO 1 80 0.370 -9.785 8.027 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 -0.150 -9.460 10.742 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 0.955 -8.384 9.910 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -1.950 -7.957 10.588 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 -0.608 -6.841 10.750 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 -2.319 -6.687 8.648 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 -0.625 -6.274 8.470 1.00 0.00 H new ATOM 1109 N TRP 1 81 -0.898 -11.768 8.580 1.00 0.00 N ATOM 1110 CA TRP 1 81 -1.684 -12.998 8.764 1.00 0.00 C ATOM 1111 C TRP 1 81 -2.352 -13.021 10.134 1.00 0.00 C ATOM 1112 O TRP 1 81 -3.374 -13.679 10.326 1.00 0.00 O ATOM 1113 CB TRP 1 81 -0.807 -14.256 8.652 1.00 0.00 C ATOM 1114 CG TRP 1 81 0.501 -14.056 7.956 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 1.668 -13.606 8.502 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 0.771 -14.317 6.584 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 2.649 -13.566 7.541 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 2.120 -14.000 6.354 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -0.004 -14.787 5.529 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 2.711 -14.142 5.105 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 0.581 -14.929 4.285 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 1.930 -14.608 4.082 1.00 0.00 C ATOM 0 H TRP 1 81 0.058 -11.927 8.261 1.00 0.00 H new ATOM 0 HA TRP 1 81 -2.435 -13.001 7.974 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -0.613 -14.636 9.655 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -1.369 -15.026 8.123 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 1.801 -13.323 9.536 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 3.612 -13.263 7.687 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -1.044 -15.036 5.679 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 3.750 -13.894 4.947 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 -0.010 -15.293 3.457 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 2.362 -14.731 3.100 1.00 0.00 H new ATOM 1133 N ASN 1 82 -1.735 -12.327 11.084 1.00 0.00 N ATOM 1134 CA ASN 1 82 -2.214 -12.271 12.467 1.00 0.00 C ATOM 1135 C ASN 1 82 -1.615 -13.422 13.267 1.00 0.00 C ATOM 1136 O ASN 1 82 -2.184 -13.866 14.265 1.00 0.00 O ATOM 1137 CB ASN 1 82 -3.742 -12.338 12.529 1.00 0.00 C ATOM 1138 CG ASN 1 82 -4.296 -11.791 13.830 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -3.796 -12.103 14.911 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -5.335 -10.970 13.732 1.00 0.00 N ATOM 0 H ASN 1 82 -0.887 -11.785 10.920 1.00 0.00 H new ATOM 0 HA ASN 1 82 -1.898 -11.321 12.897 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -4.161 -11.776 11.695 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -4.062 -13.373 12.408 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -5.751 -10.571 14.574 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -5.717 -10.739 12.815 1.00 0.00 H new ATOM 1147 N HIS 1 83 -0.467 -13.912 12.805 1.00 0.00 N ATOM 1148 CA HIS 1 83 0.214 -15.024 13.450 1.00 0.00 C ATOM 1149 C HIS 1 83 1.460 -14.550 14.192 1.00 0.00 C ATOM 1150 O HIS 1 83 1.960 -13.453 13.867 1.00 0.00 O ATOM 1151 CB HIS 1 83 0.589 -16.072 12.402 1.00 0.00 C ATOM 1152 CG HIS 1 83 -0.595 -16.606 11.659 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -0.662 -17.892 11.169 1.00 0.00 N ATOM 1154 CD2 HIS 1 83 -1.769 -16.019 11.326 1.00 0.00 C ATOM 1155 CE1 HIS 1 83 -1.824 -18.069 10.567 1.00 0.00 C ATOM 1156 NE2 HIS 1 83 -2.513 -16.949 10.650 1.00 0.00 N ATOM 1157 OXT HIS 1 83 1.926 -15.281 15.092 1.00 0.00 O ATOM 0 H HIS 1 83 0.011 -13.551 11.980 1.00 0.00 H new ATOM 0 HA HIS 1 83 -0.462 -15.467 14.181 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 1.289 -15.633 11.691 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 1.107 -16.897 12.891 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -2.064 -15.005 11.552 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -2.154 -18.979 10.087 1.00 0.00 H new ATOM 0 HE2 HIS 1 83 -3.448 -16.799 10.272 1.00 0.00 H new