USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 547 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: 1 68 ASN : amide:sc= -2.69! K(o=-14!,f=-10) USER MOD Set 1.2: 1 83 HIS : no HD1:sc= -11.7! C(o=-14!,f=-10!) USER MOD Single : 1 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 1 SER OG : rot 180:sc= 0 USER MOD Single : 1 7 ASN : amide:sc= -2.16 K(o=-2.2,f=-1.5) USER MOD Single : 1 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 12 GLN : amide:sc= -1.72 K(o=-1.7,f=-9.1!) USER MOD Single : 1 20 SER OG : rot 180:sc= 0 USER MOD Single : 1 23 ASN : amide:sc= -0.0832 K(o=-0.083,f=-1.6!) USER MOD Single : 1 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 30 ASN : amide:sc= -3.83! K(o=-3.8!,f=-0.29) 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 -159:sc= 0.847 USER MOD Single : 1 40 SER OG : rot 95:sc= -0.636 USER MOD Single : 1 41 GLN : amide:sc= -0.35 X(o=-0.35,f=-0.35) USER MOD Single : 1 43 ASN : amide:sc= -4.72! K(o=-4.7!,f=-2.6) USER MOD Single : 1 44 TYR OH : rot 180:sc= 0 USER MOD Single : 1 50 GLN : amide:sc= -0.209 X(o=-0.21,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 73:sc= 0.51 USER MOD Single : 1 71 TYR OH : rot 180:sc= 0 USER MOD Single : 1 73 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 76 SER OG : rot 180:sc= 0.0446 USER MOD Single : 1 77 SER OG : rot -42:sc= 0.573 USER MOD Single : 1 82 ASN : amide:sc= -0.372 X(o=-0.37,f=-0.0032) USER MOD ----------------------------------------------------------------- ATOM 1 N SER 1 1 18.000 -0.988 -12.215 1.00 0.00 N ATOM 2 CA SER 1 1 17.532 -0.695 -10.835 1.00 0.00 C ATOM 3 C SER 1 1 16.021 -0.480 -10.798 1.00 0.00 C ATOM 4 O SER 1 1 15.543 0.647 -10.922 1.00 0.00 O ATOM 5 CB SER 1 1 18.255 0.556 -10.331 1.00 0.00 C ATOM 6 OG SER 1 1 18.503 0.475 -8.938 1.00 0.00 O ATOM 0 H1 SER 1 1 19.030 -1.130 -12.209 1.00 0.00 H new ATOM 0 H2 SER 1 1 17.534 -1.850 -12.564 1.00 0.00 H new ATOM 0 H3 SER 1 1 17.764 -0.190 -12.839 1.00 0.00 H new ATOM 0 HA SER 1 1 17.758 -1.546 -10.192 1.00 0.00 H new ATOM 0 HB2 SER 1 1 19.198 0.675 -10.865 1.00 0.00 H new ATOM 0 HB3 SER 1 1 17.653 1.439 -10.546 1.00 0.00 H new ATOM 0 HG SER 1 1 18.967 1.285 -8.641 1.00 0.00 H new ATOM 14 N PRO 1 2 15.247 -1.566 -10.626 1.00 0.00 N ATOM 15 CA PRO 1 2 13.783 -1.492 -10.573 1.00 0.00 C ATOM 16 C PRO 1 2 13.278 -0.398 -9.631 1.00 0.00 C ATOM 17 O PRO 1 2 12.354 0.340 -9.973 1.00 0.00 O ATOM 18 CB PRO 1 2 13.377 -2.875 -10.062 1.00 0.00 C ATOM 19 CG PRO 1 2 14.480 -3.777 -10.498 1.00 0.00 C ATOM 20 CD PRO 1 2 15.737 -2.949 -10.470 1.00 0.00 C ATOM 0 HA PRO 1 2 13.356 -1.238 -11.543 1.00 0.00 H new ATOM 0 HB2 PRO 1 2 13.266 -2.880 -8.978 1.00 0.00 H new ATOM 0 HB3 PRO 1 2 12.421 -3.187 -10.481 1.00 0.00 H new ATOM 0 HG2 PRO 1 2 14.565 -4.637 -9.833 1.00 0.00 H new ATOM 0 HG3 PRO 1 2 14.292 -4.166 -11.499 1.00 0.00 H new ATOM 0 HD2 PRO 1 2 16.281 -3.078 -9.534 1.00 0.00 H new ATOM 0 HD3 PRO 1 2 16.417 -3.226 -11.275 1.00 0.00 H new ATOM 28 N PRO 1 3 13.873 -0.272 -8.429 1.00 0.00 N ATOM 29 CA PRO 1 3 13.475 0.738 -7.449 1.00 0.00 C ATOM 30 C PRO 1 3 14.006 2.121 -7.808 1.00 0.00 C ATOM 31 O PRO 1 3 15.101 2.501 -7.392 1.00 0.00 O ATOM 32 CB PRO 1 3 14.105 0.245 -6.132 1.00 0.00 C ATOM 33 CG PRO 1 3 14.726 -1.080 -6.443 1.00 0.00 C ATOM 34 CD PRO 1 3 14.977 -1.089 -7.920 1.00 0.00 C ATOM 0 HA PRO 1 3 12.392 0.847 -7.395 1.00 0.00 H new ATOM 0 HB2 PRO 1 3 14.852 0.951 -5.769 1.00 0.00 H new ATOM 0 HB3 PRO 1 3 13.351 0.149 -5.351 1.00 0.00 H new ATOM 0 HG2 PRO 1 3 15.656 -1.213 -5.890 1.00 0.00 H new ATOM 0 HG3 PRO 1 3 14.064 -1.897 -6.156 1.00 0.00 H new ATOM 0 HD2 PRO 1 3 15.948 -0.662 -8.170 1.00 0.00 H new ATOM 0 HD3 PRO 1 3 14.958 -2.099 -8.330 1.00 0.00 H new ATOM 42 N VAL 1 4 13.230 2.870 -8.589 1.00 0.00 N ATOM 43 CA VAL 1 4 13.633 4.209 -9.005 1.00 0.00 C ATOM 44 C VAL 1 4 12.636 5.276 -8.552 1.00 0.00 C ATOM 45 O VAL 1 4 11.520 5.351 -9.067 1.00 0.00 O ATOM 46 CB VAL 1 4 13.794 4.290 -10.537 1.00 0.00 C ATOM 47 CG1 VAL 1 4 15.226 3.977 -10.939 1.00 0.00 C ATOM 48 CG2 VAL 1 4 12.820 3.347 -11.233 1.00 0.00 C ATOM 0 H VAL 1 4 12.322 2.572 -8.945 1.00 0.00 H new ATOM 0 HA VAL 1 4 14.592 4.404 -8.526 1.00 0.00 H new ATOM 0 HB VAL 1 4 13.564 5.308 -10.852 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 15.321 4.039 -12.023 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 15.900 4.696 -10.474 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 15.485 2.971 -10.609 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 12.951 3.421 -12.313 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 13.013 2.323 -10.913 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 11.798 3.622 -10.972 1.00 0.00 H new ATOM 58 N CYS 1 5 13.052 6.118 -7.607 1.00 0.00 N ATOM 59 CA CYS 1 5 12.197 7.198 -7.119 1.00 0.00 C ATOM 60 C CYS 1 5 12.270 8.368 -8.092 1.00 0.00 C ATOM 61 O CYS 1 5 13.263 9.094 -8.140 1.00 0.00 O ATOM 62 CB CYS 1 5 12.624 7.630 -5.707 1.00 0.00 C ATOM 63 SG CYS 1 5 12.128 9.324 -5.219 1.00 0.00 S ATOM 0 H CYS 1 5 13.971 6.074 -7.166 1.00 0.00 H new ATOM 0 HA CYS 1 5 11.167 6.847 -7.058 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 12.205 6.926 -4.988 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 13.709 7.552 -5.634 1.00 0.00 H new ATOM 68 N GLY 1 6 11.226 8.512 -8.890 1.00 0.00 N ATOM 69 CA GLY 1 6 11.184 9.557 -9.892 1.00 0.00 C ATOM 70 C GLY 1 6 11.229 8.959 -11.280 1.00 0.00 C ATOM 71 O GLY 1 6 11.720 9.574 -12.227 1.00 0.00 O ATOM 0 H GLY 1 6 10.398 7.918 -8.862 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 10.276 10.147 -9.773 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 12.026 10.236 -9.754 1.00 0.00 H new ATOM 75 N ASN 1 7 10.706 7.743 -11.381 1.00 0.00 N ATOM 76 CA ASN 1 7 10.657 7.005 -12.628 1.00 0.00 C ATOM 77 C ASN 1 7 9.239 6.507 -12.863 1.00 0.00 C ATOM 78 O ASN 1 7 8.990 5.693 -13.753 1.00 0.00 O ATOM 79 CB ASN 1 7 11.618 5.817 -12.560 1.00 0.00 C ATOM 80 CG ASN 1 7 12.992 6.150 -13.108 1.00 0.00 C ATOM 81 OD1 ASN 1 7 13.423 5.592 -14.116 1.00 0.00 O ATOM 82 ND2 ASN 1 7 13.687 7.066 -12.443 1.00 0.00 N ATOM 0 H ASN 1 7 10.302 7.241 -10.590 1.00 0.00 H new ATOM 0 HA ASN 1 7 10.953 7.657 -13.450 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 11.713 5.489 -11.525 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 11.199 4.982 -13.122 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 14.618 7.332 -12.764 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 13.290 7.503 -11.611 1.00 0.00 H new ATOM 89 N LYS 1 8 8.317 6.988 -12.033 1.00 0.00 N ATOM 90 CA LYS 1 8 6.925 6.588 -12.109 1.00 0.00 C ATOM 91 C LYS 1 8 6.758 5.173 -11.569 1.00 0.00 C ATOM 92 O LYS 1 8 5.769 4.500 -11.858 1.00 0.00 O ATOM 93 CB LYS 1 8 6.409 6.671 -13.549 1.00 0.00 C ATOM 94 CG LYS 1 8 4.913 6.923 -13.645 1.00 0.00 C ATOM 95 CD LYS 1 8 4.310 6.233 -14.858 1.00 0.00 C ATOM 96 CE LYS 1 8 3.688 4.897 -14.487 1.00 0.00 C ATOM 97 NZ LYS 1 8 2.278 5.046 -14.034 1.00 0.00 N ATOM 0 H LYS 1 8 8.518 7.662 -11.294 1.00 0.00 H new ATOM 0 HA LYS 1 8 6.337 7.273 -11.498 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 6.938 7.469 -14.070 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 6.646 5.741 -14.065 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 4.423 6.564 -12.740 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 4.726 7.995 -13.704 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 3.552 6.877 -15.305 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 5.082 6.079 -15.612 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 3.724 4.229 -15.347 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 4.276 4.430 -13.696 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 1.891 4.112 -13.791 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 2.246 5.663 -13.197 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 1.711 5.467 -14.797 1.00 0.00 H new ATOM 111 N ILE 1 9 7.738 4.725 -10.785 1.00 0.00 N ATOM 112 CA ILE 1 9 7.703 3.393 -10.210 1.00 0.00 C ATOM 113 C ILE 1 9 7.587 3.447 -8.693 1.00 0.00 C ATOM 114 O ILE 1 9 8.369 4.120 -8.021 1.00 0.00 O ATOM 115 CB ILE 1 9 8.968 2.579 -10.602 1.00 0.00 C ATOM 116 CG1 ILE 1 9 8.585 1.211 -11.170 1.00 0.00 C ATOM 117 CG2 ILE 1 9 9.916 2.400 -9.425 1.00 0.00 C ATOM 118 CD1 ILE 1 9 7.486 0.509 -10.398 1.00 0.00 C ATOM 0 H ILE 1 9 8.564 5.270 -10.537 1.00 0.00 H new ATOM 0 HA ILE 1 9 6.821 2.895 -10.613 1.00 0.00 H new ATOM 0 HB ILE 1 9 9.486 3.152 -11.371 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 8.266 1.335 -12.205 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 9.469 0.574 -11.183 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 10.786 1.826 -9.743 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 10.238 3.377 -9.065 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 9.404 1.868 -8.623 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 7.272 -0.453 -10.863 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 7.808 0.351 -9.369 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 6.586 1.124 -10.406 1.00 0.00 H new ATOM 130 N LEU 1 10 6.637 2.700 -8.156 1.00 0.00 N ATOM 131 CA LEU 1 10 6.463 2.626 -6.717 1.00 0.00 C ATOM 132 C LEU 1 10 7.301 1.465 -6.207 1.00 0.00 C ATOM 133 O LEU 1 10 6.791 0.534 -5.583 1.00 0.00 O ATOM 134 CB LEU 1 10 4.989 2.431 -6.349 1.00 0.00 C ATOM 135 CG LEU 1 10 4.195 1.524 -7.291 1.00 0.00 C ATOM 136 CD1 LEU 1 10 3.104 0.789 -6.529 1.00 0.00 C ATOM 137 CD2 LEU 1 10 3.599 2.334 -8.433 1.00 0.00 C ATOM 0 H LEU 1 10 5.977 2.138 -8.694 1.00 0.00 H new ATOM 0 HA LEU 1 10 6.786 3.559 -6.255 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 4.935 2.018 -5.342 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 4.507 3.408 -6.319 1.00 0.00 H new ATOM 0 HG LEU 1 10 4.875 0.784 -7.713 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 2.549 0.149 -7.215 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 3.555 0.178 -5.747 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 2.424 1.512 -6.078 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 3.038 1.673 -9.093 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 2.932 3.096 -8.029 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 4.400 2.814 -8.995 1.00 0.00 H new ATOM 149 N GLU 1 11 8.595 1.520 -6.514 1.00 0.00 N ATOM 150 CA GLU 1 11 9.519 0.465 -6.127 1.00 0.00 C ATOM 151 C GLU 1 11 10.651 1.008 -5.272 1.00 0.00 C ATOM 152 O GLU 1 11 11.034 0.379 -4.287 1.00 0.00 O ATOM 153 CB GLU 1 11 10.086 -0.228 -7.368 1.00 0.00 C ATOM 154 CG GLU 1 11 11.024 -1.380 -7.046 1.00 0.00 C ATOM 155 CD GLU 1 11 10.286 -2.681 -6.798 1.00 0.00 C ATOM 156 OE1 GLU 1 11 9.292 -2.944 -7.507 1.00 0.00 O ATOM 157 OE2 GLU 1 11 10.703 -3.438 -5.896 1.00 0.00 O ATOM 0 H GLU 1 11 9.025 2.287 -7.031 1.00 0.00 H new ATOM 0 HA GLU 1 11 8.964 -0.262 -5.534 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 9.261 -0.601 -7.975 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 10.619 0.506 -7.972 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 11.724 -1.515 -7.871 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 11.614 -1.128 -6.165 1.00 0.00 H new ATOM 164 N GLN 1 12 11.196 2.165 -5.650 1.00 0.00 N ATOM 165 CA GLN 1 12 12.300 2.764 -4.885 1.00 0.00 C ATOM 166 C GLN 1 12 11.890 3.082 -3.440 1.00 0.00 C ATOM 167 O GLN 1 12 11.956 4.233 -3.015 1.00 0.00 O ATOM 168 CB GLN 1 12 12.793 4.045 -5.561 1.00 0.00 C ATOM 169 CG GLN 1 12 13.980 4.681 -4.854 1.00 0.00 C ATOM 170 CD GLN 1 12 15.254 4.616 -5.674 1.00 0.00 C ATOM 171 OE1 GLN 1 12 15.419 5.353 -6.646 1.00 0.00 O ATOM 172 NE2 GLN 1 12 16.164 3.730 -5.284 1.00 0.00 N ATOM 0 H GLN 1 12 10.901 2.701 -6.466 1.00 0.00 H new ATOM 0 HA GLN 1 12 13.104 2.028 -4.861 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 13.070 3.820 -6.591 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 11.975 4.764 -5.601 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 13.749 5.723 -4.631 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 14.141 4.179 -3.900 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 15.985 3.139 -4.472 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 17.041 3.641 -5.797 1.00 0.00 H new ATOM 181 N GLY 1 13 11.483 2.061 -2.682 1.00 0.00 N ATOM 182 CA GLY 1 13 11.081 2.263 -1.295 1.00 0.00 C ATOM 183 C GLY 1 13 10.286 3.540 -1.088 1.00 0.00 C ATOM 184 O GLY 1 13 10.383 4.179 -0.040 1.00 0.00 O ATOM 0 H GLY 1 13 11.425 1.095 -3.005 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 10.483 1.412 -0.968 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 11.970 2.289 -0.665 1.00 0.00 H new ATOM 188 N GLU 1 14 9.511 3.919 -2.099 1.00 0.00 N ATOM 189 CA GLU 1 14 8.708 5.134 -2.037 1.00 0.00 C ATOM 190 C GLU 1 14 7.270 4.835 -1.626 1.00 0.00 C ATOM 191 O GLU 1 14 6.799 5.322 -0.599 1.00 0.00 O ATOM 192 CB GLU 1 14 8.741 5.836 -3.395 1.00 0.00 C ATOM 193 CG GLU 1 14 10.145 6.195 -3.863 1.00 0.00 C ATOM 194 CD GLU 1 14 11.027 6.750 -2.752 1.00 0.00 C ATOM 195 OE1 GLU 1 14 10.480 7.315 -1.782 1.00 0.00 O ATOM 196 OE2 GLU 1 14 12.265 6.622 -2.855 1.00 0.00 O ATOM 0 H GLU 1 14 9.422 3.400 -2.973 1.00 0.00 H new ATOM 0 HA GLU 1 14 9.134 5.790 -1.277 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 8.273 5.191 -4.139 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 8.142 6.745 -3.339 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 10.618 5.308 -4.284 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 10.076 6.930 -4.665 1.00 0.00 H new ATOM 203 N ASP 1 15 6.583 4.030 -2.438 1.00 0.00 N ATOM 204 CA ASP 1 15 5.189 3.641 -2.183 1.00 0.00 C ATOM 205 C ASP 1 15 4.202 4.624 -2.809 1.00 0.00 C ATOM 206 O ASP 1 15 3.004 4.563 -2.536 1.00 0.00 O ATOM 207 CB ASP 1 15 4.907 3.523 -0.681 1.00 0.00 C ATOM 208 CG ASP 1 15 5.987 2.754 0.056 1.00 0.00 C ATOM 209 OD1 ASP 1 15 6.625 1.880 -0.569 1.00 0.00 O ATOM 210 OD2 ASP 1 15 6.196 3.026 1.257 1.00 0.00 O ATOM 0 H ASP 1 15 6.974 3.628 -3.290 1.00 0.00 H new ATOM 0 HA ASP 1 15 5.050 2.665 -2.648 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 4.820 4.521 -0.252 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 3.948 3.027 -0.533 1.00 0.00 H new ATOM 215 N CYS 1 16 4.706 5.520 -3.653 1.00 0.00 N ATOM 216 CA CYS 1 16 3.866 6.510 -4.324 1.00 0.00 C ATOM 217 C CYS 1 16 4.726 7.572 -4.988 1.00 0.00 C ATOM 218 O CYS 1 16 5.004 8.617 -4.404 1.00 0.00 O ATOM 219 CB CYS 1 16 2.887 7.163 -3.343 1.00 0.00 C ATOM 220 SG CYS 1 16 1.167 6.570 -3.487 1.00 0.00 S ATOM 0 H CYS 1 16 5.696 5.581 -3.890 1.00 0.00 H new ATOM 0 HA CYS 1 16 3.287 5.993 -5.089 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 3.236 6.983 -2.326 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 2.901 8.242 -3.499 1.00 0.00 H new ATOM 225 N ASP 1 17 5.150 7.296 -6.214 1.00 0.00 N ATOM 226 CA ASP 1 17 5.987 8.228 -6.950 1.00 0.00 C ATOM 227 C ASP 1 17 5.555 8.332 -8.410 1.00 0.00 C ATOM 228 O ASP 1 17 4.873 7.455 -8.939 1.00 0.00 O ATOM 229 CB ASP 1 17 7.453 7.788 -6.863 1.00 0.00 C ATOM 230 CG ASP 1 17 8.326 8.437 -7.920 1.00 0.00 C ATOM 231 OD1 ASP 1 17 8.511 9.670 -7.865 1.00 0.00 O ATOM 232 OD2 ASP 1 17 8.817 7.709 -8.809 1.00 0.00 O ATOM 0 H ASP 1 17 4.928 6.437 -6.717 1.00 0.00 H new ATOM 0 HA ASP 1 17 5.876 9.214 -6.499 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 7.843 8.034 -5.875 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 7.509 6.704 -6.967 1.00 0.00 H new ATOM 237 N CYS 1 18 5.980 9.414 -9.050 1.00 0.00 N ATOM 238 CA CYS 1 18 5.673 9.659 -10.452 1.00 0.00 C ATOM 239 C CYS 1 18 6.960 9.913 -11.233 1.00 0.00 C ATOM 240 O CYS 1 18 7.916 10.478 -10.702 1.00 0.00 O ATOM 241 CB CYS 1 18 4.740 10.861 -10.595 1.00 0.00 C ATOM 242 SG CYS 1 18 3.069 10.603 -9.915 1.00 0.00 S ATOM 0 H CYS 1 18 6.545 10.143 -8.614 1.00 0.00 H new ATOM 0 HA CYS 1 18 5.175 8.777 -10.854 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 5.193 11.718 -10.097 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 4.654 11.115 -11.652 1.00 0.00 H new ATOM 247 N GLY 1 19 6.983 9.499 -12.493 1.00 0.00 N ATOM 248 CA GLY 1 19 8.162 9.701 -13.317 1.00 0.00 C ATOM 249 C GLY 1 19 8.660 11.134 -13.270 1.00 0.00 C ATOM 250 O GLY 1 19 9.855 11.379 -13.104 1.00 0.00 O ATOM 0 H GLY 1 19 6.208 9.027 -12.960 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 8.955 9.032 -12.983 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 7.932 9.432 -14.348 1.00 0.00 H new ATOM 254 N SER 1 20 7.737 12.081 -13.409 1.00 0.00 N ATOM 255 CA SER 1 20 8.081 13.498 -13.376 1.00 0.00 C ATOM 256 C SER 1 20 7.044 14.287 -12.575 1.00 0.00 C ATOM 257 O SER 1 20 5.846 14.190 -12.837 1.00 0.00 O ATOM 258 CB SER 1 20 8.175 14.054 -14.798 1.00 0.00 C ATOM 259 OG SER 1 20 9.101 15.125 -14.867 1.00 0.00 O ATOM 0 H SER 1 20 6.744 11.892 -13.546 1.00 0.00 H new ATOM 0 HA SER 1 20 9.050 13.603 -12.889 1.00 0.00 H new ATOM 0 HB2 SER 1 20 8.479 13.262 -15.482 1.00 0.00 H new ATOM 0 HB3 SER 1 20 7.193 14.397 -15.123 1.00 0.00 H new ATOM 0 HG SER 1 20 9.144 15.462 -15.786 1.00 0.00 H new ATOM 265 N PRO 1 21 7.489 15.084 -11.583 1.00 0.00 N ATOM 266 CA PRO 1 21 6.585 15.886 -10.752 1.00 0.00 C ATOM 267 C PRO 1 21 5.556 16.653 -11.578 1.00 0.00 C ATOM 268 O PRO 1 21 4.459 16.947 -11.104 1.00 0.00 O ATOM 269 CB PRO 1 21 7.529 16.855 -10.043 1.00 0.00 C ATOM 270 CG PRO 1 21 8.824 16.124 -9.960 1.00 0.00 C ATOM 271 CD PRO 1 21 8.901 15.266 -11.194 1.00 0.00 C ATOM 0 HA PRO 1 21 5.996 15.266 -10.076 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 7.634 17.786 -10.601 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 7.157 17.117 -9.052 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 9.662 16.820 -9.917 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 8.870 15.514 -9.058 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 9.474 15.751 -11.984 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 9.386 14.312 -10.988 1.00 0.00 H new ATOM 279 N ALA 1 22 5.917 16.971 -12.817 1.00 0.00 N ATOM 280 CA ALA 1 22 5.025 17.701 -13.710 1.00 0.00 C ATOM 281 C ALA 1 22 4.092 16.748 -14.450 1.00 0.00 C ATOM 282 O ALA 1 22 2.986 17.124 -14.840 1.00 0.00 O ATOM 283 CB ALA 1 22 5.830 18.529 -14.699 1.00 0.00 C ATOM 0 H ALA 1 22 6.821 16.734 -13.225 1.00 0.00 H new ATOM 0 HA ALA 1 22 4.414 18.372 -13.106 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 5.151 19.069 -15.359 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 6.451 19.242 -14.156 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 6.466 17.871 -15.291 1.00 0.00 H new ATOM 289 N ASN 1 23 4.544 15.512 -14.637 1.00 0.00 N ATOM 290 CA ASN 1 23 3.750 14.503 -15.326 1.00 0.00 C ATOM 291 C ASN 1 23 3.222 13.463 -14.341 1.00 0.00 C ATOM 292 O ASN 1 23 2.895 12.340 -14.724 1.00 0.00 O ATOM 293 CB ASN 1 23 4.585 13.818 -16.410 1.00 0.00 C ATOM 294 CG ASN 1 23 4.643 14.626 -17.691 1.00 0.00 C ATOM 295 OD1 ASN 1 23 3.729 15.392 -17.998 1.00 0.00 O ATOM 296 ND2 ASN 1 23 5.721 14.459 -18.448 1.00 0.00 N ATOM 0 H ASN 1 23 5.457 15.186 -14.320 1.00 0.00 H new ATOM 0 HA ASN 1 23 2.900 15.001 -15.793 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 5.597 13.658 -16.038 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 4.164 12.835 -16.622 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 5.815 14.976 -19.322 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 6.455 13.814 -18.155 1.00 0.00 H new ATOM 303 N CYS 1 24 3.146 13.846 -13.070 1.00 0.00 N ATOM 304 CA CYS 1 24 2.665 12.951 -12.030 1.00 0.00 C ATOM 305 C CYS 1 24 1.185 12.653 -12.214 1.00 0.00 C ATOM 306 O CYS 1 24 0.326 13.319 -11.636 1.00 0.00 O ATOM 307 CB CYS 1 24 2.915 13.558 -10.649 1.00 0.00 C ATOM 308 SG CYS 1 24 2.520 12.446 -9.258 1.00 0.00 S ATOM 0 H CYS 1 24 3.413 14.773 -12.738 1.00 0.00 H new ATOM 0 HA CYS 1 24 3.215 12.013 -12.107 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 3.962 13.852 -10.578 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 2.322 14.467 -10.552 1.00 0.00 H new ATOM 313 N GLN 1 25 0.899 11.644 -13.025 1.00 0.00 N ATOM 314 CA GLN 1 25 -0.477 11.241 -13.299 1.00 0.00 C ATOM 315 C GLN 1 25 -1.006 10.305 -12.213 1.00 0.00 C ATOM 316 O GLN 1 25 -1.649 9.297 -12.508 1.00 0.00 O ATOM 317 CB GLN 1 25 -0.566 10.559 -14.665 1.00 0.00 C ATOM 318 CG GLN 1 25 0.226 9.265 -14.752 1.00 0.00 C ATOM 319 CD GLN 1 25 0.672 8.948 -16.166 1.00 0.00 C ATOM 320 OE1 GLN 1 25 -0.055 8.316 -16.932 1.00 0.00 O ATOM 321 NE2 GLN 1 25 1.875 9.387 -16.519 1.00 0.00 N ATOM 0 H GLN 1 25 1.604 11.086 -13.507 1.00 0.00 H new ATOM 0 HA GLN 1 25 -1.095 12.139 -13.305 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 -1.612 10.351 -14.890 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 -0.206 11.247 -15.430 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 1.101 9.335 -14.106 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 -0.384 8.444 -14.375 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 2.444 9.907 -15.851 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 2.230 9.204 -17.458 1.00 0.00 H new ATOM 330 N ASP 1 26 -0.740 10.649 -10.956 1.00 0.00 N ATOM 331 CA ASP 1 26 -1.196 9.849 -9.828 1.00 0.00 C ATOM 332 C ASP 1 26 -1.632 10.756 -8.684 1.00 0.00 C ATOM 333 O ASP 1 26 -0.810 11.213 -7.892 1.00 0.00 O ATOM 334 CB ASP 1 26 -0.085 8.908 -9.357 1.00 0.00 C ATOM 335 CG ASP 1 26 -0.630 7.632 -8.745 1.00 0.00 C ATOM 336 OD1 ASP 1 26 -1.800 7.635 -8.308 1.00 0.00 O ATOM 337 OD2 ASP 1 26 0.115 6.630 -8.701 1.00 0.00 O ATOM 0 H ASP 1 26 -0.209 11.480 -10.694 1.00 0.00 H new ATOM 0 HA ASP 1 26 -2.048 9.250 -10.149 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 0.558 8.657 -10.201 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 0.537 9.422 -8.625 1.00 0.00 H new ATOM 342 N ARG 1 27 -2.929 11.023 -8.613 1.00 0.00 N ATOM 343 CA ARG 1 27 -3.474 11.887 -7.574 1.00 0.00 C ATOM 344 C ARG 1 27 -3.295 11.275 -6.186 1.00 0.00 C ATOM 345 O ARG 1 27 -3.412 11.968 -5.175 1.00 0.00 O ATOM 346 CB ARG 1 27 -4.953 12.160 -7.849 1.00 0.00 C ATOM 347 CG ARG 1 27 -5.849 10.949 -7.646 1.00 0.00 C ATOM 348 CD ARG 1 27 -7.278 11.235 -8.077 1.00 0.00 C ATOM 349 NE ARG 1 27 -8.179 10.130 -7.757 1.00 0.00 N ATOM 350 CZ ARG 1 27 -8.255 9.007 -8.468 1.00 0.00 C ATOM 351 NH1 ARG 1 27 -7.487 8.837 -9.538 1.00 0.00 N ATOM 352 NH2 ARG 1 27 -9.100 8.051 -8.109 1.00 0.00 N ATOM 0 H ARG 1 27 -3.624 10.654 -9.262 1.00 0.00 H new ATOM 0 HA ARG 1 27 -2.924 12.828 -7.592 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 -5.292 12.964 -7.196 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 -5.063 12.514 -8.874 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 -5.458 10.106 -8.216 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 -5.836 10.657 -6.596 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 -7.630 12.143 -7.587 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 -7.302 11.423 -9.150 1.00 0.00 H new ATOM 0 HE ARG 1 27 -8.785 10.225 -6.942 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 -6.835 9.569 -9.819 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 -7.550 7.974 -10.079 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 -9.692 8.176 -7.288 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 -9.158 7.191 -8.654 1.00 0.00 H new ATOM 366 N CYS 1 28 -3.009 9.977 -6.140 1.00 0.00 N ATOM 367 CA CYS 1 28 -2.812 9.284 -4.871 1.00 0.00 C ATOM 368 C CYS 1 28 -1.324 9.119 -4.553 1.00 0.00 C ATOM 369 O CYS 1 28 -0.962 8.664 -3.468 1.00 0.00 O ATOM 370 CB CYS 1 28 -3.499 7.917 -4.906 1.00 0.00 C ATOM 371 SG CYS 1 28 -5.197 7.959 -5.570 1.00 0.00 S ATOM 0 H CYS 1 28 -2.909 9.385 -6.965 1.00 0.00 H new ATOM 0 HA CYS 1 28 -3.259 9.890 -4.083 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 -2.900 7.236 -5.510 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 -3.525 7.508 -3.896 1.00 0.00 H new ATOM 376 N CYS 1 29 -0.466 9.490 -5.503 1.00 0.00 N ATOM 377 CA CYS 1 29 0.977 9.379 -5.317 1.00 0.00 C ATOM 378 C CYS 1 29 1.688 10.635 -5.816 1.00 0.00 C ATOM 379 O CYS 1 29 1.397 11.132 -6.902 1.00 0.00 O ATOM 380 CB CYS 1 29 1.507 8.154 -6.058 1.00 0.00 C ATOM 381 SG CYS 1 29 0.796 6.579 -5.484 1.00 0.00 S ATOM 0 H CYS 1 29 -0.747 9.869 -6.407 1.00 0.00 H new ATOM 0 HA CYS 1 29 1.177 9.270 -4.251 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 1.301 8.268 -7.122 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 2.590 8.114 -5.946 1.00 0.00 H new ATOM 386 N ASN 1 30 2.618 11.148 -5.016 1.00 0.00 N ATOM 387 CA ASN 1 30 3.356 12.353 -5.389 1.00 0.00 C ATOM 388 C ASN 1 30 4.830 12.052 -5.652 1.00 0.00 C ATOM 389 O ASN 1 30 5.506 11.422 -4.833 1.00 0.00 O ATOM 390 CB ASN 1 30 3.222 13.413 -4.293 1.00 0.00 C ATOM 391 CG ASN 1 30 3.978 14.687 -4.620 1.00 0.00 C ATOM 392 OD1 ASN 1 30 3.902 15.199 -5.737 1.00 0.00 O ATOM 393 ND2 ASN 1 30 4.714 15.205 -3.643 1.00 0.00 N ATOM 0 H ASN 1 30 2.878 10.753 -4.112 1.00 0.00 H new ATOM 0 HA ASN 1 30 2.924 12.734 -6.315 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 2.168 13.648 -4.146 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 3.592 13.006 -3.352 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 5.245 16.061 -3.804 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 4.748 14.747 -2.732 1.00 0.00 H new ATOM 400 N ALA 1 31 5.318 12.519 -6.804 1.00 0.00 N ATOM 401 CA ALA 1 31 6.711 12.322 -7.194 1.00 0.00 C ATOM 402 C ALA 1 31 7.634 13.212 -6.372 1.00 0.00 C ATOM 403 O ALA 1 31 8.682 12.773 -5.897 1.00 0.00 O ATOM 404 CB ALA 1 31 6.889 12.625 -8.674 1.00 0.00 C ATOM 0 H ALA 1 31 4.763 13.039 -7.484 1.00 0.00 H new ATOM 0 HA ALA 1 31 6.973 11.281 -7.006 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 7.932 12.475 -8.953 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 6.257 11.959 -9.260 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 6.606 13.659 -8.870 1.00 0.00 H new ATOM 410 N ALA 1 32 7.234 14.469 -6.214 1.00 0.00 N ATOM 411 CA ALA 1 32 8.015 15.439 -5.453 1.00 0.00 C ATOM 412 C ALA 1 32 8.363 14.912 -4.064 1.00 0.00 C ATOM 413 O ALA 1 32 9.293 15.401 -3.421 1.00 0.00 O ATOM 414 CB ALA 1 32 7.253 16.751 -5.342 1.00 0.00 C ATOM 0 H ALA 1 32 6.369 14.842 -6.605 1.00 0.00 H new ATOM 0 HA ALA 1 32 8.950 15.610 -5.987 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 7.844 17.468 -4.772 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 7.064 17.148 -6.340 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 6.304 16.579 -4.834 1.00 0.00 H new ATOM 420 N THR 1 33 7.613 13.917 -3.605 1.00 0.00 N ATOM 421 CA THR 1 33 7.842 13.330 -2.294 1.00 0.00 C ATOM 422 C THR 1 33 8.177 11.853 -2.417 1.00 0.00 C ATOM 423 O THR 1 33 8.794 11.269 -1.526 1.00 0.00 O ATOM 424 CB THR 1 33 6.596 13.494 -1.420 1.00 0.00 C ATOM 425 OG1 THR 1 33 6.899 13.232 -0.061 1.00 0.00 O ATOM 426 CG2 THR 1 33 5.456 12.576 -1.823 1.00 0.00 C ATOM 0 H THR 1 33 6.840 13.500 -4.124 1.00 0.00 H new ATOM 0 HA THR 1 33 8.684 13.847 -1.833 1.00 0.00 H new ATOM 0 HB THR 1 33 6.277 14.527 -1.561 1.00 0.00 H new ATOM 0 HG1 THR 1 33 6.091 13.343 0.482 1.00 0.00 H new ATOM 0 HG21 THR 1 33 4.604 12.743 -1.164 1.00 0.00 H new ATOM 0 HG22 THR 1 33 5.165 12.787 -2.852 1.00 0.00 H new ATOM 0 HG23 THR 1 33 5.779 11.538 -1.743 1.00 0.00 H new ATOM 434 N CYS 1 34 7.730 11.242 -3.509 1.00 0.00 N ATOM 435 CA CYS 1 34 7.948 9.827 -3.720 1.00 0.00 C ATOM 436 C CYS 1 34 7.271 9.059 -2.592 1.00 0.00 C ATOM 437 O CYS 1 34 7.841 8.140 -2.006 1.00 0.00 O ATOM 438 CB CYS 1 34 9.444 9.506 -3.782 1.00 0.00 C ATOM 439 SG CYS 1 34 10.113 9.370 -5.476 1.00 0.00 S ATOM 0 H CYS 1 34 7.216 11.709 -4.257 1.00 0.00 H new ATOM 0 HA CYS 1 34 7.517 9.529 -4.676 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 9.993 10.282 -3.248 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 9.625 8.569 -3.256 1.00 0.00 H new ATOM 444 N LYS 1 35 6.043 9.474 -2.292 1.00 0.00 N ATOM 445 CA LYS 1 35 5.247 8.866 -1.233 1.00 0.00 C ATOM 446 C LYS 1 35 3.773 9.214 -1.416 1.00 0.00 C ATOM 447 O LYS 1 35 3.421 10.042 -2.256 1.00 0.00 O ATOM 448 CB LYS 1 35 5.721 9.347 0.142 1.00 0.00 C ATOM 449 CG LYS 1 35 7.198 9.107 0.404 1.00 0.00 C ATOM 450 CD LYS 1 35 7.563 9.404 1.850 1.00 0.00 C ATOM 451 CE LYS 1 35 7.548 8.143 2.698 1.00 0.00 C ATOM 452 NZ LYS 1 35 7.176 8.428 4.111 1.00 0.00 N ATOM 0 H LYS 1 35 5.574 10.240 -2.776 1.00 0.00 H new ATOM 0 HA LYS 1 35 5.372 7.785 -1.291 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 5.515 10.413 0.234 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 5.139 8.842 0.913 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 7.447 8.072 0.170 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 7.793 9.735 -0.259 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 8.553 9.859 1.891 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 6.861 10.129 2.262 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 6.842 7.429 2.274 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 8.532 7.674 2.669 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 7.177 7.542 4.656 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 7.864 9.090 4.524 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 6.227 8.852 4.141 1.00 0.00 H new ATOM 466 N LEU 1 36 2.916 8.578 -0.626 1.00 0.00 N ATOM 467 CA LEU 1 36 1.480 8.820 -0.700 1.00 0.00 C ATOM 468 C LEU 1 36 1.161 10.299 -0.504 1.00 0.00 C ATOM 469 O LEU 1 36 1.774 10.972 0.325 1.00 0.00 O ATOM 470 CB LEU 1 36 0.748 7.985 0.353 1.00 0.00 C ATOM 471 CG LEU 1 36 0.372 6.570 -0.090 1.00 0.00 C ATOM 472 CD1 LEU 1 36 0.185 5.666 1.118 1.00 0.00 C ATOM 473 CD2 LEU 1 36 -0.889 6.596 -0.940 1.00 0.00 C ATOM 0 H LEU 1 36 3.191 7.890 0.074 1.00 0.00 H new ATOM 0 HA LEU 1 36 1.140 8.525 -1.693 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 1.376 7.916 1.241 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 -0.161 8.512 0.645 1.00 0.00 H new ATOM 0 HG LEU 1 36 1.185 6.170 -0.695 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 -0.082 4.663 0.784 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 1.113 5.623 1.688 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 -0.610 6.062 1.749 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 -1.142 5.581 -1.247 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 -1.711 7.015 -0.359 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 -0.719 7.210 -1.824 1.00 0.00 H new ATOM 485 N THR 1 37 0.199 10.799 -1.273 1.00 0.00 N ATOM 486 CA THR 1 37 -0.201 12.199 -1.185 1.00 0.00 C ATOM 487 C THR 1 37 -1.282 12.392 -0.125 1.00 0.00 C ATOM 488 O THR 1 37 -1.938 11.434 0.286 1.00 0.00 O ATOM 489 CB THR 1 37 -0.708 12.693 -2.541 1.00 0.00 C ATOM 490 OG1 THR 1 37 -2.016 12.212 -2.792 1.00 0.00 O ATOM 491 CG2 THR 1 37 0.168 12.269 -3.700 1.00 0.00 C ATOM 0 H THR 1 37 -0.318 10.256 -1.964 1.00 0.00 H new ATOM 0 HA THR 1 37 0.674 12.782 -0.897 1.00 0.00 H new ATOM 0 HB THR 1 37 -0.693 13.781 -2.476 1.00 0.00 H new ATOM 0 HG1 THR 1 37 -2.198 12.247 -3.754 1.00 0.00 H new ATOM 0 HG21 THR 1 37 -0.249 12.653 -4.631 1.00 0.00 H new ATOM 0 HG22 THR 1 37 1.173 12.668 -3.561 1.00 0.00 H new ATOM 0 HG23 THR 1 37 0.212 11.181 -3.744 1.00 0.00 H new ATOM 499 N PRO 1 38 -1.484 13.640 0.333 1.00 0.00 N ATOM 500 CA PRO 1 38 -2.493 13.954 1.349 1.00 0.00 C ATOM 501 C PRO 1 38 -3.876 13.437 0.968 1.00 0.00 C ATOM 502 O PRO 1 38 -4.460 13.871 -0.025 1.00 0.00 O ATOM 503 CB PRO 1 38 -2.489 15.484 1.397 1.00 0.00 C ATOM 504 CG PRO 1 38 -1.136 15.876 0.912 1.00 0.00 C ATOM 505 CD PRO 1 38 -0.746 14.839 -0.104 1.00 0.00 C ATOM 0 HA PRO 1 38 -2.266 13.485 2.307 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 -3.272 15.902 0.765 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 -2.668 15.849 2.409 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 -1.154 16.871 0.467 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 -0.420 15.906 1.734 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 -1.028 15.139 -1.113 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 0.330 14.668 -0.111 1.00 0.00 H new ATOM 513 N GLY 1 39 -4.395 12.508 1.764 1.00 0.00 N ATOM 514 CA GLY 1 39 -5.705 11.946 1.493 1.00 0.00 C ATOM 515 C GLY 1 39 -5.636 10.488 1.087 1.00 0.00 C ATOM 516 O GLY 1 39 -6.458 9.677 1.514 1.00 0.00 O ATOM 0 H GLY 1 39 -3.932 12.134 2.592 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 -6.330 12.044 2.381 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 -6.186 12.519 0.700 1.00 0.00 H new ATOM 520 N SER 1 40 -4.651 10.152 0.260 1.00 0.00 N ATOM 521 CA SER 1 40 -4.476 8.781 -0.204 1.00 0.00 C ATOM 522 C SER 1 40 -3.508 8.023 0.698 1.00 0.00 C ATOM 523 O SER 1 40 -2.367 8.442 0.891 1.00 0.00 O ATOM 524 CB SER 1 40 -3.966 8.769 -1.646 1.00 0.00 C ATOM 525 OG SER 1 40 -4.970 9.203 -2.546 1.00 0.00 O ATOM 0 H SER 1 40 -3.962 10.811 -0.102 1.00 0.00 H new ATOM 0 HA SER 1 40 -5.445 8.283 -0.166 1.00 0.00 H new ATOM 0 HB2 SER 1 40 -3.093 9.416 -1.731 1.00 0.00 H new ATOM 0 HB3 SER 1 40 -3.645 7.762 -1.913 1.00 0.00 H new ATOM 0 HG SER 1 40 -4.862 10.162 -2.719 1.00 0.00 H new ATOM 531 N GLN 1 41 -3.971 6.906 1.250 1.00 0.00 N ATOM 532 CA GLN 1 41 -3.145 6.090 2.134 1.00 0.00 C ATOM 533 C GLN 1 41 -2.838 4.730 1.509 1.00 0.00 C ATOM 534 O GLN 1 41 -2.422 3.802 2.203 1.00 0.00 O ATOM 535 CB GLN 1 41 -3.846 5.896 3.480 1.00 0.00 C ATOM 536 CG GLN 1 41 -3.695 7.081 4.420 1.00 0.00 C ATOM 537 CD GLN 1 41 -2.245 7.443 4.675 1.00 0.00 C ATOM 538 OE1 GLN 1 41 -1.828 8.579 4.450 1.00 0.00 O ATOM 539 NE2 GLN 1 41 -1.467 6.474 5.146 1.00 0.00 N ATOM 0 H GLN 1 41 -4.913 6.545 1.101 1.00 0.00 H new ATOM 0 HA GLN 1 41 -2.202 6.614 2.289 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 -4.906 5.714 3.305 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 -3.445 5.005 3.964 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 -4.212 7.943 3.998 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 -4.180 6.852 5.369 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 -1.855 5.547 5.318 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 -0.482 6.658 5.336 1.00 0.00 H new ATOM 548 N CYS 1 42 -3.046 4.614 0.200 1.00 0.00 N ATOM 549 CA CYS 1 42 -2.789 3.362 -0.501 1.00 0.00 C ATOM 550 C CYS 1 42 -2.505 3.605 -1.981 1.00 0.00 C ATOM 551 O CYS 1 42 -2.815 4.663 -2.528 1.00 0.00 O ATOM 552 CB CYS 1 42 -3.975 2.403 -0.327 1.00 0.00 C ATOM 553 SG CYS 1 42 -4.958 2.080 -1.836 1.00 0.00 S ATOM 0 H CYS 1 42 -3.390 5.369 -0.393 1.00 0.00 H new ATOM 0 HA CYS 1 42 -1.901 2.904 -0.064 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 -3.598 1.452 0.050 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 -4.638 2.809 0.437 1.00 0.00 H new ATOM 558 N ASN 1 43 -1.929 2.597 -2.614 1.00 0.00 N ATOM 559 CA ASN 1 43 -1.602 2.641 -4.033 1.00 0.00 C ATOM 560 C ASN 1 43 -1.315 1.226 -4.527 1.00 0.00 C ATOM 561 O ASN 1 43 -1.691 0.848 -5.636 1.00 0.00 O ATOM 562 CB ASN 1 43 -0.404 3.559 -4.281 1.00 0.00 C ATOM 563 CG ASN 1 43 0.079 3.511 -5.719 1.00 0.00 C ATOM 564 OD1 ASN 1 43 -0.712 3.341 -6.646 1.00 0.00 O ATOM 565 ND2 ASN 1 43 1.385 3.660 -5.910 1.00 0.00 N ATOM 0 H ASN 1 43 -1.673 1.721 -2.158 1.00 0.00 H new ATOM 0 HA ASN 1 43 -2.449 3.046 -4.587 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 -0.677 4.583 -4.027 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 0.412 3.273 -3.618 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 1.768 3.636 -6.855 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 2.005 3.799 -5.112 1.00 0.00 H new ATOM 572 N TYR 1 44 -0.664 0.447 -3.670 1.00 0.00 N ATOM 573 CA TYR 1 44 -0.334 -0.937 -3.967 1.00 0.00 C ATOM 574 C TYR 1 44 -0.310 -1.741 -2.667 1.00 0.00 C ATOM 575 O TYR 1 44 0.082 -1.223 -1.623 1.00 0.00 O ATOM 576 CB TYR 1 44 1.014 -1.026 -4.696 1.00 0.00 C ATOM 577 CG TYR 1 44 2.209 -1.143 -3.777 1.00 0.00 C ATOM 578 CD1 TYR 1 44 2.524 -2.353 -3.175 1.00 0.00 C ATOM 579 CD2 TYR 1 44 3.016 -0.045 -3.509 1.00 0.00 C ATOM 580 CE1 TYR 1 44 3.608 -2.468 -2.331 1.00 0.00 C ATOM 581 CE2 TYR 1 44 4.105 -0.151 -2.666 1.00 0.00 C ATOM 582 CZ TYR 1 44 4.397 -1.365 -2.079 1.00 0.00 C ATOM 583 OH TYR 1 44 5.481 -1.476 -1.238 1.00 0.00 O ATOM 0 H TYR 1 44 -0.351 0.760 -2.751 1.00 0.00 H new ATOM 0 HA TYR 1 44 -1.093 -1.356 -4.627 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 0.997 -1.888 -5.363 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 1.136 -0.141 -5.321 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 1.910 -3.219 -3.371 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 2.789 0.906 -3.967 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 3.838 -3.417 -1.869 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 4.724 0.711 -2.468 1.00 0.00 H new ATOM 0 HH TYR 1 44 5.931 -0.608 -1.168 1.00 0.00 H new ATOM 593 N GLY 1 45 -0.738 -2.996 -2.730 1.00 0.00 N ATOM 594 CA GLY 1 45 -0.762 -3.830 -1.540 1.00 0.00 C ATOM 595 C GLY 1 45 -2.160 -4.323 -1.210 1.00 0.00 C ATOM 596 O GLY 1 45 -3.151 -3.738 -1.647 1.00 0.00 O ATOM 0 H GLY 1 45 -1.068 -3.452 -3.581 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -0.102 -4.685 -1.685 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -0.370 -3.265 -0.695 1.00 0.00 H new ATOM 600 N GLU 1 46 -2.241 -5.405 -0.441 1.00 0.00 N ATOM 601 CA GLU 1 46 -3.523 -5.985 -0.061 1.00 0.00 C ATOM 602 C GLU 1 46 -4.395 -4.987 0.690 1.00 0.00 C ATOM 603 O GLU 1 46 -5.587 -4.857 0.413 1.00 0.00 O ATOM 604 CB GLU 1 46 -3.291 -7.208 0.819 1.00 0.00 C ATOM 605 CG GLU 1 46 -2.871 -8.448 0.047 1.00 0.00 C ATOM 606 CD GLU 1 46 -1.681 -8.197 -0.859 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -1.884 -7.668 -1.972 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -0.547 -8.530 -0.456 1.00 0.00 O ATOM 0 H GLU 1 46 -1.430 -5.899 -0.068 1.00 0.00 H new ATOM 0 HA GLU 1 46 -4.042 -6.269 -0.976 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -2.523 -6.973 1.556 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -4.206 -7.427 1.370 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -2.626 -9.243 0.751 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -3.711 -8.800 -0.552 1.00 0.00 H new ATOM 615 N CYS 1 47 -3.796 -4.299 1.650 1.00 0.00 N ATOM 616 CA CYS 1 47 -4.519 -3.326 2.457 1.00 0.00 C ATOM 617 C CYS 1 47 -4.978 -2.135 1.621 1.00 0.00 C ATOM 618 O CYS 1 47 -5.932 -1.448 1.981 1.00 0.00 O ATOM 619 CB CYS 1 47 -3.636 -2.853 3.610 1.00 0.00 C ATOM 620 SG CYS 1 47 -3.828 -3.821 5.138 1.00 0.00 S ATOM 0 H CYS 1 47 -2.809 -4.396 1.890 1.00 0.00 H new ATOM 0 HA CYS 1 47 -5.409 -3.812 2.856 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 -2.593 -2.894 3.295 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 -3.864 -1.809 3.823 1.00 0.00 H new ATOM 625 N CYS 1 48 -4.294 -1.884 0.510 1.00 0.00 N ATOM 626 CA CYS 1 48 -4.637 -0.767 -0.355 1.00 0.00 C ATOM 627 C CYS 1 48 -5.982 -0.977 -1.050 1.00 0.00 C ATOM 628 O CYS 1 48 -6.196 -1.981 -1.730 1.00 0.00 O ATOM 629 CB CYS 1 48 -3.534 -0.560 -1.397 1.00 0.00 C ATOM 630 SG CYS 1 48 -3.989 0.556 -2.763 1.00 0.00 S ATOM 0 H CYS 1 48 -3.501 -2.439 0.190 1.00 0.00 H new ATOM 0 HA CYS 1 48 -4.725 0.123 0.269 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 -2.650 -0.163 -0.898 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 -3.257 -1.529 -1.812 1.00 0.00 H new ATOM 635 N ASP 1 49 -6.874 -0.004 -0.882 1.00 0.00 N ATOM 636 CA ASP 1 49 -8.195 -0.048 -1.497 1.00 0.00 C ATOM 637 C ASP 1 49 -8.721 1.366 -1.728 1.00 0.00 C ATOM 638 O ASP 1 49 -9.020 2.091 -0.778 1.00 0.00 O ATOM 639 CB ASP 1 49 -9.169 -0.836 -0.619 1.00 0.00 C ATOM 640 CG ASP 1 49 -10.499 -1.078 -1.306 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -11.234 -0.095 -1.541 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -10.806 -2.250 -1.609 1.00 0.00 O ATOM 0 H ASP 1 49 -6.702 0.830 -0.320 1.00 0.00 H new ATOM 0 HA ASP 1 49 -8.109 -0.552 -2.460 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -8.721 -1.793 -0.353 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -9.337 -0.293 0.311 1.00 0.00 H new ATOM 647 N GLN 1 50 -8.822 1.756 -2.997 1.00 0.00 N ATOM 648 CA GLN 1 50 -9.304 3.087 -3.355 1.00 0.00 C ATOM 649 C GLN 1 50 -8.360 4.164 -2.826 1.00 0.00 C ATOM 650 O GLN 1 50 -8.796 5.161 -2.250 1.00 0.00 O ATOM 651 CB GLN 1 50 -10.717 3.309 -2.808 1.00 0.00 C ATOM 652 CG GLN 1 50 -11.815 2.877 -3.766 1.00 0.00 C ATOM 653 CD GLN 1 50 -12.455 4.048 -4.484 1.00 0.00 C ATOM 654 OE1 GLN 1 50 -13.675 4.101 -4.645 1.00 0.00 O ATOM 655 NE2 GLN 1 50 -11.634 4.995 -4.922 1.00 0.00 N ATOM 0 H GLN 1 50 -8.576 1.169 -3.794 1.00 0.00 H new ATOM 0 HA GLN 1 50 -9.333 3.157 -4.442 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 -10.826 2.760 -1.873 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 -10.845 4.366 -2.574 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 -11.400 2.187 -4.501 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 -12.580 2.332 -3.214 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 -10.629 4.911 -4.767 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 -12.008 5.807 -5.414 1.00 0.00 H new ATOM 664 N CYS 1 51 -7.063 3.950 -3.021 1.00 0.00 N ATOM 665 CA CYS 1 51 -6.048 4.894 -2.558 1.00 0.00 C ATOM 666 C CYS 1 51 -6.138 5.091 -1.046 1.00 0.00 C ATOM 667 O CYS 1 51 -5.673 6.098 -0.513 1.00 0.00 O ATOM 668 CB CYS 1 51 -6.188 6.238 -3.274 1.00 0.00 C ATOM 669 SG CYS 1 51 -5.964 6.143 -5.080 1.00 0.00 S ATOM 0 H CYS 1 51 -6.688 3.130 -3.497 1.00 0.00 H new ATOM 0 HA CYS 1 51 -5.070 4.475 -2.795 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 -7.175 6.650 -3.062 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 -5.457 6.934 -2.864 1.00 0.00 H new ATOM 674 N ARG 1 52 -6.735 4.117 -0.362 1.00 0.00 N ATOM 675 CA ARG 1 52 -6.883 4.173 1.088 1.00 0.00 C ATOM 676 C ARG 1 52 -6.787 2.773 1.687 1.00 0.00 C ATOM 677 O ARG 1 52 -7.446 1.844 1.221 1.00 0.00 O ATOM 678 CB ARG 1 52 -8.222 4.814 1.463 1.00 0.00 C ATOM 679 CG ARG 1 52 -8.128 6.308 1.728 1.00 0.00 C ATOM 680 CD ARG 1 52 -9.004 6.722 2.900 1.00 0.00 C ATOM 681 NE ARG 1 52 -8.371 7.753 3.719 1.00 0.00 N ATOM 682 CZ ARG 1 52 -8.352 9.046 3.400 1.00 0.00 C ATOM 683 NH1 ARG 1 52 -8.929 9.469 2.281 1.00 0.00 N ATOM 684 NH2 ARG 1 52 -7.756 9.917 4.201 1.00 0.00 N ATOM 0 H ARG 1 52 -7.125 3.278 -0.792 1.00 0.00 H new ATOM 0 HA ARG 1 52 -6.076 4.784 1.493 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 -8.937 4.640 0.658 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 -8.616 4.320 2.351 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 -7.092 6.578 1.934 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 -8.429 6.857 0.836 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 -9.959 7.092 2.526 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 -9.219 5.850 3.517 1.00 0.00 H new ATOM 0 HE ARG 1 52 -7.917 7.466 4.586 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 -9.390 8.803 1.661 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 -8.912 10.460 2.041 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 -7.312 9.597 5.062 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 -7.741 10.907 3.957 1.00 0.00 H new ATOM 698 N PHE 1 53 -5.958 2.624 2.716 1.00 0.00 N ATOM 699 CA PHE 1 53 -5.776 1.329 3.364 1.00 0.00 C ATOM 700 C PHE 1 53 -7.089 0.794 3.907 1.00 0.00 C ATOM 701 O PHE 1 53 -7.981 1.556 4.280 1.00 0.00 O ATOM 702 CB PHE 1 53 -4.758 1.428 4.502 1.00 0.00 C ATOM 703 CG PHE 1 53 -3.344 1.567 4.028 1.00 0.00 C ATOM 704 CD1 PHE 1 53 -2.909 0.887 2.904 1.00 0.00 C ATOM 705 CD2 PHE 1 53 -2.451 2.381 4.704 1.00 0.00 C ATOM 706 CE1 PHE 1 53 -1.611 1.013 2.461 1.00 0.00 C ATOM 707 CE2 PHE 1 53 -1.148 2.513 4.265 1.00 0.00 C ATOM 708 CZ PHE 1 53 -0.727 1.828 3.141 1.00 0.00 C ATOM 0 H PHE 1 53 -5.404 3.380 3.118 1.00 0.00 H new ATOM 0 HA PHE 1 53 -5.403 0.639 2.607 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 -5.008 2.283 5.129 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 -4.837 0.539 5.128 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 -3.596 0.249 2.367 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 -2.776 2.918 5.583 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 -1.285 0.475 1.583 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 -0.459 3.151 4.799 1.00 0.00 H new ATOM 0 HZ PHE 1 53 0.291 1.930 2.795 1.00 0.00 H new ATOM 718 N LYS 1 54 -7.194 -0.527 3.960 1.00 0.00 N ATOM 719 CA LYS 1 54 -8.393 -1.169 4.473 1.00 0.00 C ATOM 720 C LYS 1 54 -8.485 -0.972 5.980 1.00 0.00 C ATOM 721 O LYS 1 54 -7.544 -1.272 6.711 1.00 0.00 O ATOM 722 CB LYS 1 54 -8.388 -2.661 4.135 1.00 0.00 C ATOM 723 CG LYS 1 54 -9.114 -2.994 2.841 1.00 0.00 C ATOM 724 CD LYS 1 54 -8.350 -4.020 2.020 1.00 0.00 C ATOM 725 CE LYS 1 54 -9.082 -4.357 0.731 1.00 0.00 C ATOM 726 NZ LYS 1 54 -9.884 -5.606 0.857 1.00 0.00 N ATOM 0 H LYS 1 54 -6.465 -1.172 3.655 1.00 0.00 H new ATOM 0 HA LYS 1 54 -9.263 -0.711 4.002 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -7.356 -3.005 4.062 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -8.851 -3.212 4.954 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -10.109 -3.377 3.069 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -9.249 -2.085 2.255 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -7.357 -3.635 1.786 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -8.210 -4.927 2.608 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -9.738 -3.530 0.460 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -8.360 -4.469 -0.078 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -10.367 -5.800 -0.043 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -9.255 -6.400 1.091 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -10.591 -5.490 1.611 1.00 0.00 H new ATOM 740 N LYS 1 55 -9.616 -0.462 6.446 1.00 0.00 N ATOM 741 CA LYS 1 55 -9.809 -0.228 7.871 1.00 0.00 C ATOM 742 C LYS 1 55 -9.410 -1.459 8.679 1.00 0.00 C ATOM 743 O LYS 1 55 -9.953 -2.550 8.473 1.00 0.00 O ATOM 744 CB LYS 1 55 -11.266 0.136 8.159 1.00 0.00 C ATOM 745 CG LYS 1 55 -11.542 0.433 9.624 1.00 0.00 C ATOM 746 CD LYS 1 55 -11.032 1.809 10.018 1.00 0.00 C ATOM 747 CE LYS 1 55 -11.718 2.318 11.276 1.00 0.00 C ATOM 748 NZ LYS 1 55 -13.055 2.903 10.981 1.00 0.00 N ATOM 0 H LYS 1 55 -10.411 -0.203 5.862 1.00 0.00 H new ATOM 0 HA LYS 1 55 -9.171 0.605 8.168 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 -11.539 1.007 7.563 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 -11.907 -0.684 7.836 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 -12.614 0.373 9.813 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 -11.066 -0.325 10.246 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 -9.955 1.766 10.181 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 -11.203 2.509 9.200 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 -11.829 1.498 11.986 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 -11.090 3.070 11.753 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 -13.490 3.238 11.864 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 -12.947 3.701 10.323 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 -13.663 2.178 10.549 1.00 0.00 H new ATOM 762 N ALA 1 56 -8.452 -1.284 9.593 1.00 0.00 N ATOM 763 CA ALA 1 56 -7.982 -2.386 10.428 1.00 0.00 C ATOM 764 C ALA 1 56 -9.130 -3.318 10.779 1.00 0.00 C ATOM 765 O ALA 1 56 -10.185 -2.877 11.235 1.00 0.00 O ATOM 766 CB ALA 1 56 -7.329 -1.868 11.695 1.00 0.00 C ATOM 0 H ALA 1 56 -7.990 -0.392 9.771 1.00 0.00 H new ATOM 0 HA ALA 1 56 -7.237 -2.942 9.858 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 -6.988 -2.709 12.299 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 -6.477 -1.239 11.435 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 -8.052 -1.283 12.264 1.00 0.00 H new ATOM 772 N GLY 1 57 -8.931 -4.600 10.535 1.00 0.00 N ATOM 773 CA GLY 1 57 -9.975 -5.566 10.800 1.00 0.00 C ATOM 774 C GLY 1 57 -10.439 -6.240 9.527 1.00 0.00 C ATOM 775 O GLY 1 57 -11.139 -7.251 9.569 1.00 0.00 O ATOM 0 H GLY 1 57 -8.067 -4.991 10.159 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -9.608 -6.318 11.499 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -10.819 -5.070 11.279 1.00 0.00 H new ATOM 779 N THR 1 58 -10.033 -5.683 8.386 1.00 0.00 N ATOM 780 CA THR 1 58 -10.389 -6.249 7.094 1.00 0.00 C ATOM 781 C THR 1 58 -9.539 -7.488 6.819 1.00 0.00 C ATOM 782 O THR 1 58 -8.351 -7.379 6.516 1.00 0.00 O ATOM 783 CB THR 1 58 -10.178 -5.211 5.988 1.00 0.00 C ATOM 784 OG1 THR 1 58 -11.041 -4.103 6.169 1.00 0.00 O ATOM 785 CG2 THR 1 58 -10.418 -5.756 4.599 1.00 0.00 C ATOM 0 H THR 1 58 -9.458 -4.842 8.335 1.00 0.00 H new ATOM 0 HA THR 1 58 -11.441 -6.535 7.110 1.00 0.00 H new ATOM 0 HB THR 1 58 -9.132 -4.915 6.068 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -10.724 -3.560 6.921 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -10.251 -4.968 3.865 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -9.732 -6.581 4.408 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -11.445 -6.113 4.521 1.00 0.00 H new ATOM 793 N VAL 1 59 -10.147 -8.665 6.936 1.00 0.00 N ATOM 794 CA VAL 1 59 -9.436 -9.914 6.709 1.00 0.00 C ATOM 795 C VAL 1 59 -8.861 -9.975 5.301 1.00 0.00 C ATOM 796 O VAL 1 59 -9.588 -9.881 4.312 1.00 0.00 O ATOM 797 CB VAL 1 59 -10.349 -11.139 6.935 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -11.530 -11.110 5.976 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -9.560 -12.433 6.785 1.00 0.00 C ATOM 0 H VAL 1 59 -11.129 -8.777 7.186 1.00 0.00 H new ATOM 0 HA VAL 1 59 -8.621 -9.943 7.432 1.00 0.00 H new ATOM 0 HB VAL 1 59 -10.736 -11.095 7.953 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -12.162 -11.981 6.150 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -12.110 -10.202 6.141 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -11.165 -11.126 4.949 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -10.222 -13.284 6.948 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -9.139 -12.488 5.781 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -8.754 -12.455 7.518 1.00 0.00 H new ATOM 809 N CYS 1 60 -7.548 -10.139 5.223 1.00 0.00 N ATOM 810 CA CYS 1 60 -6.858 -10.220 3.942 1.00 0.00 C ATOM 811 C CYS 1 60 -6.378 -11.648 3.687 1.00 0.00 C ATOM 812 O CYS 1 60 -6.276 -12.086 2.541 1.00 0.00 O ATOM 813 CB CYS 1 60 -5.678 -9.240 3.931 1.00 0.00 C ATOM 814 SG CYS 1 60 -4.358 -9.625 2.730 1.00 0.00 S ATOM 0 H CYS 1 60 -6.936 -10.219 6.035 1.00 0.00 H new ATOM 0 HA CYS 1 60 -7.549 -9.948 3.144 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -6.059 -8.241 3.720 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -5.241 -9.211 4.929 1.00 0.00 H new ATOM 819 N ARG 1 61 -6.091 -12.365 4.768 1.00 0.00 N ATOM 820 CA ARG 1 61 -5.622 -13.750 4.675 1.00 0.00 C ATOM 821 C ARG 1 61 -5.973 -14.543 5.929 1.00 0.00 C ATOM 822 O ARG 1 61 -6.484 -13.998 6.906 1.00 0.00 O ATOM 823 CB ARG 1 61 -4.107 -13.808 4.450 1.00 0.00 C ATOM 824 CG ARG 1 61 -3.584 -12.727 3.526 1.00 0.00 C ATOM 825 CD ARG 1 61 -2.132 -12.966 3.143 1.00 0.00 C ATOM 826 NE ARG 1 61 -1.220 -12.721 4.260 1.00 0.00 N ATOM 827 CZ ARG 1 61 0.013 -12.235 4.125 1.00 0.00 C ATOM 828 NH1 ARG 1 61 0.500 -11.952 2.923 1.00 0.00 N ATOM 829 NH2 ARG 1 61 0.764 -12.038 5.200 1.00 0.00 N ATOM 0 H ARG 1 61 -6.174 -12.013 5.722 1.00 0.00 H new ATOM 0 HA ARG 1 61 -6.129 -14.198 3.820 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -3.603 -13.725 5.413 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -3.847 -14.783 4.037 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -4.196 -12.691 2.625 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -3.676 -11.756 4.013 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -2.013 -13.993 2.797 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -1.866 -12.316 2.309 1.00 0.00 H new ATOM 0 HE ARG 1 61 -1.549 -12.936 5.201 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -0.071 -12.106 2.092 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 1.445 -11.580 2.830 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 0.397 -12.258 6.126 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 1.709 -11.666 5.101 1.00 0.00 H new ATOM 843 N ILE 1 62 -5.680 -15.837 5.884 1.00 0.00 N ATOM 844 CA ILE 1 62 -5.940 -16.741 7.001 1.00 0.00 C ATOM 845 C ILE 1 62 -5.046 -17.968 6.894 1.00 0.00 C ATOM 846 O ILE 1 62 -5.044 -18.656 5.873 1.00 0.00 O ATOM 847 CB ILE 1 62 -7.411 -17.221 7.057 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -8.386 -16.099 6.695 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -7.731 -17.765 8.440 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -8.395 -15.759 5.224 1.00 0.00 C ATOM 0 H ILE 1 62 -5.256 -16.290 5.074 1.00 0.00 H new ATOM 0 HA ILE 1 62 -5.730 -16.176 7.909 1.00 0.00 H new ATOM 0 HB ILE 1 62 -7.529 -18.015 6.319 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -9.392 -16.391 6.998 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -8.127 -15.206 7.264 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -8.768 -18.100 8.468 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -7.072 -18.605 8.662 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -7.582 -16.981 9.183 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -9.109 -14.956 5.041 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -7.400 -15.436 4.919 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -8.683 -16.639 4.649 1.00 0.00 H new ATOM 862 N ALA 1 63 -4.285 -18.239 7.948 1.00 0.00 N ATOM 863 CA ALA 1 63 -3.384 -19.389 7.965 1.00 0.00 C ATOM 864 C ALA 1 63 -4.072 -20.640 7.436 1.00 0.00 C ATOM 865 O ALA 1 63 -3.768 -21.110 6.341 1.00 0.00 O ATOM 866 CB ALA 1 63 -2.857 -19.634 9.369 1.00 0.00 C ATOM 0 H ALA 1 63 -4.273 -17.680 8.801 1.00 0.00 H new ATOM 0 HA ALA 1 63 -2.545 -19.161 7.308 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -2.188 -20.494 9.361 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -2.313 -18.754 9.712 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -3.692 -19.830 10.042 1.00 0.00 H new ATOM 872 N ARG 1 64 -5.003 -21.172 8.219 1.00 0.00 N ATOM 873 CA ARG 1 64 -5.736 -22.371 7.821 1.00 0.00 C ATOM 874 C ARG 1 64 -6.734 -22.796 8.896 1.00 0.00 C ATOM 875 O ARG 1 64 -6.567 -23.832 9.539 1.00 0.00 O ATOM 876 CB ARG 1 64 -4.758 -23.516 7.524 1.00 0.00 C ATOM 877 CG ARG 1 64 -4.666 -23.884 6.049 1.00 0.00 C ATOM 878 CD ARG 1 64 -6.041 -24.019 5.418 1.00 0.00 C ATOM 879 NE ARG 1 64 -6.020 -24.870 4.230 1.00 0.00 N ATOM 880 CZ ARG 1 64 -7.114 -25.326 3.625 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -8.317 -25.016 4.092 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -7.005 -26.094 2.549 1.00 0.00 N ATOM 0 H ARG 1 64 -5.268 -20.795 9.129 1.00 0.00 H new ATOM 0 HA ARG 1 64 -6.297 -22.136 6.916 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -3.767 -23.235 7.881 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -5.063 -24.397 8.089 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -4.095 -23.122 5.519 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -4.122 -24.822 5.941 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -6.735 -24.434 6.148 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -6.414 -23.031 5.149 1.00 0.00 H new ATOM 0 HE ARG 1 64 -5.113 -25.130 3.842 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -8.406 -24.425 4.919 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -9.152 -25.368 3.624 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -6.083 -26.335 2.186 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -7.843 -26.444 2.085 1.00 0.00 H new ATOM 896 N GLY 1 65 -7.776 -21.995 9.080 1.00 0.00 N ATOM 897 CA GLY 1 65 -8.785 -22.313 10.072 1.00 0.00 C ATOM 898 C GLY 1 65 -9.423 -21.076 10.670 1.00 0.00 C ATOM 899 O GLY 1 65 -10.138 -20.345 9.985 1.00 0.00 O ATOM 0 H GLY 1 65 -7.940 -21.132 8.561 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -9.558 -22.931 9.614 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -8.333 -22.905 10.868 1.00 0.00 H new ATOM 903 N ASP 1 66 -9.161 -20.843 11.950 1.00 0.00 N ATOM 904 CA ASP 1 66 -9.713 -19.685 12.642 1.00 0.00 C ATOM 905 C ASP 1 66 -9.069 -19.511 14.013 1.00 0.00 C ATOM 906 O ASP 1 66 -9.626 -19.919 15.032 1.00 0.00 O ATOM 907 CB ASP 1 66 -11.229 -19.824 12.791 1.00 0.00 C ATOM 908 CG ASP 1 66 -11.636 -21.187 13.317 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -11.472 -22.181 12.580 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -12.119 -21.259 14.467 1.00 0.00 O ATOM 0 H ASP 1 66 -8.570 -21.440 12.529 1.00 0.00 H new ATOM 0 HA ASP 1 66 -9.495 -18.800 12.043 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -11.597 -19.052 13.467 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -11.703 -19.654 11.824 1.00 0.00 H new ATOM 915 N TRP 1 67 -7.890 -18.903 14.024 1.00 0.00 N ATOM 916 CA TRP 1 67 -7.153 -18.668 15.262 1.00 0.00 C ATOM 917 C TRP 1 67 -6.924 -17.177 15.465 1.00 0.00 C ATOM 918 O TRP 1 67 -7.502 -16.557 16.357 1.00 0.00 O ATOM 919 CB TRP 1 67 -5.808 -19.404 15.225 1.00 0.00 C ATOM 920 CG TRP 1 67 -5.500 -20.017 13.894 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -5.144 -19.364 12.750 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -5.533 -21.408 13.570 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -4.956 -20.265 11.734 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -5.186 -21.527 12.213 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -5.821 -22.562 14.297 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -5.121 -22.757 11.568 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -5.755 -23.786 13.657 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -5.407 -23.875 12.303 1.00 0.00 C ATOM 0 H TRP 1 67 -7.420 -18.561 13.186 1.00 0.00 H new ATOM 0 HA TRP 1 67 -7.743 -19.050 16.095 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -5.013 -18.706 15.487 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -5.809 -20.186 15.985 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -5.027 -18.294 12.658 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -4.688 -20.033 10.777 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -6.091 -22.501 15.341 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -4.854 -22.827 10.524 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -5.975 -24.687 14.210 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -5.364 -24.845 11.830 1.00 0.00 H new ATOM 939 N ASN 1 68 -6.081 -16.613 14.614 1.00 0.00 N ATOM 940 CA ASN 1 68 -5.764 -15.191 14.664 1.00 0.00 C ATOM 941 C ASN 1 68 -6.288 -14.493 13.414 1.00 0.00 C ATOM 942 O ASN 1 68 -6.751 -13.354 13.471 1.00 0.00 O ATOM 943 CB ASN 1 68 -4.253 -14.975 14.788 1.00 0.00 C ATOM 944 CG ASN 1 68 -3.580 -16.022 15.655 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -3.271 -15.774 16.821 1.00 0.00 O ATOM 946 ND2 ASN 1 68 -3.348 -17.201 15.088 1.00 0.00 N ATOM 0 H ASN 1 68 -5.599 -17.123 13.873 1.00 0.00 H new ATOM 0 HA ASN 1 68 -6.247 -14.763 15.542 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -3.805 -14.990 13.794 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -4.065 -13.987 15.207 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -2.897 -17.944 15.622 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -3.621 -17.363 14.119 1.00 0.00 H new ATOM 953 N ASP 1 69 -6.216 -15.195 12.285 1.00 0.00 N ATOM 954 CA ASP 1 69 -6.688 -14.662 11.012 1.00 0.00 C ATOM 955 C ASP 1 69 -5.901 -13.426 10.600 1.00 0.00 C ATOM 956 O ASP 1 69 -5.596 -12.568 11.427 1.00 0.00 O ATOM 957 CB ASP 1 69 -8.171 -14.310 11.104 1.00 0.00 C ATOM 958 CG ASP 1 69 -9.069 -15.499 10.821 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -8.771 -16.601 11.326 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -10.070 -15.327 10.094 1.00 0.00 O ATOM 0 H ASP 1 69 -5.833 -16.139 12.228 1.00 0.00 H new ATOM 0 HA ASP 1 69 -6.539 -15.434 10.257 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -8.388 -13.924 12.100 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -8.396 -13.512 10.396 1.00 0.00 H new ATOM 965 N ASP 1 70 -5.589 -13.333 9.313 1.00 0.00 N ATOM 966 CA ASP 1 70 -4.852 -12.190 8.793 1.00 0.00 C ATOM 967 C ASP 1 70 -5.765 -10.981 8.696 1.00 0.00 C ATOM 968 O ASP 1 70 -6.894 -11.084 8.215 1.00 0.00 O ATOM 969 CB ASP 1 70 -4.265 -12.508 7.420 1.00 0.00 C ATOM 970 CG ASP 1 70 -3.170 -11.545 7.017 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -3.457 -10.336 6.906 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -2.025 -12.001 6.810 1.00 0.00 O ATOM 0 H ASP 1 70 -5.834 -14.033 8.613 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.034 -11.967 9.478 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -3.867 -13.523 7.425 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -5.060 -12.481 6.674 1.00 0.00 H new ATOM 977 N TYR 1 71 -5.288 -9.838 9.172 1.00 0.00 N ATOM 978 CA TYR 1 71 -6.102 -8.637 9.149 1.00 0.00 C ATOM 979 C TYR 1 71 -5.308 -7.385 8.832 1.00 0.00 C ATOM 980 O TYR 1 71 -4.146 -7.248 9.211 1.00 0.00 O ATOM 981 CB TYR 1 71 -6.797 -8.472 10.489 1.00 0.00 C ATOM 982 CG TYR 1 71 -8.021 -9.330 10.605 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -9.156 -9.021 9.883 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -8.038 -10.447 11.421 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -10.287 -9.797 9.967 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -9.164 -11.236 11.516 1.00 0.00 C ATOM 987 CZ TYR 1 71 -10.290 -10.909 10.786 1.00 0.00 C ATOM 988 OH TYR 1 71 -11.418 -11.692 10.876 1.00 0.00 O ATOM 0 H TYR 1 71 -4.357 -9.721 9.572 1.00 0.00 H new ATOM 0 HA TYR 1 71 -6.831 -8.761 8.348 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -6.102 -8.724 11.290 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -7.074 -7.427 10.626 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -9.155 -8.153 9.240 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -7.157 -10.704 11.991 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -11.167 -9.539 9.397 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -9.166 -12.105 12.157 1.00 0.00 H new ATOM 0 HH TYR 1 71 -11.252 -12.434 11.494 1.00 0.00 H new ATOM 998 N CYS 1 72 -5.974 -6.464 8.152 1.00 0.00 N ATOM 999 CA CYS 1 72 -5.380 -5.193 7.786 1.00 0.00 C ATOM 1000 C CYS 1 72 -5.180 -4.334 9.031 1.00 0.00 C ATOM 1001 O CYS 1 72 -5.786 -4.590 10.072 1.00 0.00 O ATOM 1002 CB CYS 1 72 -6.283 -4.473 6.786 1.00 0.00 C ATOM 1003 SG CYS 1 72 -5.504 -3.047 5.970 1.00 0.00 S ATOM 0 H CYS 1 72 -6.938 -6.579 7.840 1.00 0.00 H new ATOM 0 HA CYS 1 72 -4.409 -5.369 7.324 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -6.602 -5.184 6.024 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 -7.182 -4.136 7.302 1.00 0.00 H new ATOM 1008 N THR 1 73 -4.325 -3.324 8.927 1.00 0.00 N ATOM 1009 CA THR 1 73 -4.051 -2.445 10.059 1.00 0.00 C ATOM 1010 C THR 1 73 -4.456 -1.001 9.764 1.00 0.00 C ATOM 1011 O THR 1 73 -4.542 -0.176 10.675 1.00 0.00 O ATOM 1012 CB THR 1 73 -2.569 -2.514 10.426 1.00 0.00 C ATOM 1013 OG1 THR 1 73 -1.765 -2.039 9.359 1.00 0.00 O ATOM 1014 CG2 THR 1 73 -2.107 -3.917 10.762 1.00 0.00 C ATOM 0 H THR 1 73 -3.812 -3.093 8.076 1.00 0.00 H new ATOM 0 HA THR 1 73 -4.649 -2.789 10.903 1.00 0.00 H new ATOM 0 HB THR 1 73 -2.457 -1.887 11.311 1.00 0.00 H new ATOM 0 HG1 THR 1 73 -0.820 -2.090 9.614 1.00 0.00 H new ATOM 0 HG21 THR 1 73 -1.047 -3.900 11.014 1.00 0.00 H new ATOM 0 HG22 THR 1 73 -2.676 -4.294 11.612 1.00 0.00 H new ATOM 0 HG23 THR 1 73 -2.265 -4.568 9.902 1.00 0.00 H new ATOM 1022 N GLY 1 74 -4.707 -0.698 8.494 1.00 0.00 N ATOM 1023 CA GLY 1 74 -5.101 0.648 8.117 1.00 0.00 C ATOM 1024 C GLY 1 74 -3.952 1.636 8.185 1.00 0.00 C ATOM 1025 O GLY 1 74 -4.157 2.844 8.068 1.00 0.00 O ATOM 0 H GLY 1 74 -4.645 -1.359 7.720 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 -5.503 0.634 7.104 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 -5.903 0.985 8.774 1.00 0.00 H new ATOM 1029 N LYS 1 75 -2.739 1.125 8.373 1.00 0.00 N ATOM 1030 CA LYS 1 75 -1.555 1.973 8.456 1.00 0.00 C ATOM 1031 C LYS 1 75 -0.500 1.543 7.438 1.00 0.00 C ATOM 1032 O LYS 1 75 0.598 2.098 7.398 1.00 0.00 O ATOM 1033 CB LYS 1 75 -0.960 1.927 9.866 1.00 0.00 C ATOM 1034 CG LYS 1 75 -2.002 1.857 10.973 1.00 0.00 C ATOM 1035 CD LYS 1 75 -2.471 3.243 11.389 1.00 0.00 C ATOM 1036 CE LYS 1 75 -3.974 3.397 11.220 1.00 0.00 C ATOM 1037 NZ LYS 1 75 -4.721 2.887 12.403 1.00 0.00 N ATOM 0 H LYS 1 75 -2.550 0.127 8.471 1.00 0.00 H new ATOM 0 HA LYS 1 75 -1.861 2.994 8.230 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 -0.302 1.061 9.944 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 -0.342 2.812 10.018 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 -2.855 1.270 10.633 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 -1.583 1.340 11.836 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 -2.201 3.423 12.430 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 -1.958 3.996 10.792 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 -4.216 4.448 11.063 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 -4.296 2.860 10.328 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 -5.742 3.010 12.248 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 -4.510 1.877 12.538 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 -4.433 3.417 13.250 1.00 0.00 H new ATOM 1051 N SER 1 76 -0.836 0.550 6.617 1.00 0.00 N ATOM 1052 CA SER 1 76 0.087 0.051 5.606 1.00 0.00 C ATOM 1053 C SER 1 76 -0.638 -0.829 4.594 1.00 0.00 C ATOM 1054 O SER 1 76 -1.775 -1.243 4.819 1.00 0.00 O ATOM 1055 CB SER 1 76 1.218 -0.739 6.266 1.00 0.00 C ATOM 1056 OG SER 1 76 0.785 -2.036 6.640 1.00 0.00 O ATOM 0 H SER 1 76 -1.740 0.077 6.634 1.00 0.00 H new ATOM 0 HA SER 1 76 0.508 0.908 5.080 1.00 0.00 H new ATOM 0 HB2 SER 1 76 2.060 -0.818 5.578 1.00 0.00 H new ATOM 0 HB3 SER 1 76 1.574 -0.203 7.146 1.00 0.00 H new ATOM 0 HG SER 1 76 1.527 -2.521 7.058 1.00 0.00 H new ATOM 1062 N SER 1 77 0.030 -1.116 3.481 1.00 0.00 N ATOM 1063 CA SER 1 77 -0.547 -1.955 2.435 1.00 0.00 C ATOM 1064 C SER 1 77 -0.284 -3.435 2.708 1.00 0.00 C ATOM 1065 O SER 1 77 -0.535 -4.286 1.854 1.00 0.00 O ATOM 1066 CB SER 1 77 0.025 -1.568 1.070 1.00 0.00 C ATOM 1067 OG SER 1 77 0.749 -0.351 1.143 1.00 0.00 O ATOM 0 H SER 1 77 0.972 -0.780 3.280 1.00 0.00 H new ATOM 0 HA SER 1 77 -1.625 -1.794 2.432 1.00 0.00 H new ATOM 0 HB2 SER 1 77 0.679 -2.362 0.709 1.00 0.00 H new ATOM 0 HB3 SER 1 77 -0.786 -1.469 0.348 1.00 0.00 H new ATOM 0 HG SER 1 77 0.257 0.289 1.699 1.00 0.00 H new ATOM 1073 N ASP 1 78 0.214 -3.738 3.905 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.503 -5.114 4.285 1.00 0.00 C ATOM 1075 C ASP 1 78 -0.572 -5.652 5.221 1.00 0.00 C ATOM 1076 O ASP 1 78 -1.085 -4.930 6.076 1.00 0.00 O ATOM 1077 CB ASP 1 78 1.874 -5.203 4.957 1.00 0.00 C ATOM 1078 CG ASP 1 78 3.014 -5.136 3.959 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 3.415 -6.201 3.445 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 3.503 -4.019 3.691 1.00 0.00 O ATOM 0 H ASP 1 78 0.425 -3.048 4.626 1.00 0.00 H new ATOM 0 HA ASP 1 78 0.512 -5.722 3.381 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 1.976 -4.390 5.676 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 1.941 -6.135 5.518 1.00 0.00 H new ATOM 1085 N CYS 1 79 -0.909 -6.924 5.051 1.00 0.00 N ATOM 1086 CA CYS 1 79 -1.924 -7.564 5.876 1.00 0.00 C ATOM 1087 C CYS 1 79 -1.325 -8.735 6.662 1.00 0.00 C ATOM 1088 O CYS 1 79 -1.152 -9.829 6.127 1.00 0.00 O ATOM 1089 CB CYS 1 79 -3.085 -8.041 4.998 1.00 0.00 C ATOM 1090 SG CYS 1 79 -2.640 -9.318 3.773 1.00 0.00 S ATOM 0 H CYS 1 79 -0.493 -7.534 4.347 1.00 0.00 H new ATOM 0 HA CYS 1 79 -2.302 -6.836 6.594 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -3.872 -8.433 5.642 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.502 -7.182 4.472 1.00 0.00 H new ATOM 1095 N PRO 1 80 -0.984 -8.516 7.946 1.00 0.00 N ATOM 1096 CA PRO 1 80 -0.390 -9.557 8.800 1.00 0.00 C ATOM 1097 C PRO 1 80 -1.381 -10.656 9.184 1.00 0.00 C ATOM 1098 O PRO 1 80 -2.531 -10.379 9.525 1.00 0.00 O ATOM 1099 CB PRO 1 80 0.046 -8.780 10.045 1.00 0.00 C ATOM 1100 CG PRO 1 80 -0.872 -7.610 10.096 1.00 0.00 C ATOM 1101 CD PRO 1 80 -1.134 -7.236 8.664 1.00 0.00 C ATOM 0 HA PRO 1 80 0.419 -10.080 8.290 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 -0.039 -9.391 10.944 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 1.087 -8.465 9.972 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -1.799 -7.862 10.611 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 -0.420 -6.781 10.641 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 -2.132 -6.816 8.534 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 -0.425 -6.489 8.307 1.00 0.00 H new ATOM 1109 N TRP 1 81 -0.917 -11.906 9.137 1.00 0.00 N ATOM 1110 CA TRP 1 81 -1.752 -13.062 9.493 1.00 0.00 C ATOM 1111 C TRP 1 81 -2.270 -12.937 10.919 1.00 0.00 C ATOM 1112 O TRP 1 81 -3.254 -13.575 11.293 1.00 0.00 O ATOM 1113 CB TRP 1 81 -0.969 -14.378 9.388 1.00 0.00 C ATOM 1114 CG TRP 1 81 0.283 -14.303 8.574 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 1.531 -13.965 9.013 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 0.407 -14.585 7.183 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 2.423 -14.016 7.971 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 1.755 -14.396 6.836 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -0.496 -14.978 6.197 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 2.222 -14.589 5.543 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 -0.032 -15.171 4.909 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 1.318 -14.977 4.592 1.00 0.00 C ATOM 0 H TRP 1 81 0.033 -12.147 8.856 1.00 0.00 H new ATOM 0 HA TRP 1 81 -2.583 -13.075 8.788 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -0.712 -14.712 10.393 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -1.620 -15.138 8.957 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 1.779 -13.697 10.029 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 3.419 -13.806 8.031 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -1.539 -15.129 6.435 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 3.263 -14.438 5.296 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 -0.721 -15.476 4.136 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 1.652 -15.137 3.577 1.00 0.00 H new ATOM 1133 N ASN 1 82 -1.570 -12.140 11.718 1.00 0.00 N ATOM 1134 CA ASN 1 82 -1.912 -11.947 13.124 1.00 0.00 C ATOM 1135 C ASN 1 82 -1.358 -13.104 13.948 1.00 0.00 C ATOM 1136 O ASN 1 82 -1.913 -13.472 14.984 1.00 0.00 O ATOM 1137 CB ASN 1 82 -3.428 -11.840 13.312 1.00 0.00 C ATOM 1138 CG ASN 1 82 -3.817 -10.766 14.309 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -4.808 -10.060 14.123 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -3.037 -10.635 15.377 1.00 0.00 N ATOM 0 H ASN 1 82 -0.753 -11.611 11.412 1.00 0.00 H new ATOM 0 HA ASN 1 82 -1.466 -11.013 13.465 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -3.895 -11.625 12.351 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -3.818 -12.801 13.648 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -3.251 -9.928 16.081 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -2.225 -11.241 15.493 1.00 0.00 H new ATOM 1147 N HIS 1 83 -0.257 -13.679 13.465 1.00 0.00 N ATOM 1148 CA HIS 1 83 0.387 -14.804 14.131 1.00 0.00 C ATOM 1149 C HIS 1 83 1.619 -14.349 14.907 1.00 0.00 C ATOM 1150 O HIS 1 83 2.296 -13.409 14.442 1.00 0.00 O ATOM 1151 CB HIS 1 83 0.778 -15.861 13.094 1.00 0.00 C ATOM 1152 CG HIS 1 83 -0.378 -16.325 12.267 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -0.241 -16.812 10.984 1.00 0.00 N ATOM 1154 CD2 HIS 1 83 -1.703 -16.357 12.541 1.00 0.00 C ATOM 1155 CE1 HIS 1 83 -1.434 -17.118 10.505 1.00 0.00 C ATOM 1156 NE2 HIS 1 83 -2.336 -16.854 11.430 1.00 0.00 N ATOM 1157 OXT HIS 1 83 1.895 -14.937 15.974 1.00 0.00 O ATOM 0 H HIS 1 83 0.208 -13.379 12.608 1.00 0.00 H new ATOM 0 HA HIS 1 83 -0.318 -15.236 14.841 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 1.546 -15.451 12.438 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 1.219 -16.717 13.605 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -2.174 -16.049 13.463 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -1.636 -17.517 9.522 1.00 0.00 H new ATOM 0 HE2 HIS 1 83 -3.342 -16.996 11.335 1.00 0.00 H new TER 1166 HIS 1 83