USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=15 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= -2.38! K(o=-13!,f=-9.7) USER MOD Set 1.2: 1 83 HIS : no HD1:sc= -11.1! C(o=-13!,f=-9.7!) USER MOD Set 2.1: 1 37 THR OG1 : rot -43:sc= 0.908 USER MOD Set 2.2: 1 40 SER OG : rot -72:sc= 1.05 USER MOD Single : 1 1 SER N :NH3+ -145:sc= 0.0826 (180deg=0) USER MOD Single : 1 1 SER OG : rot 180:sc= 0.0446 USER MOD Single : 1 7 ASN : amide:sc= -4.89! C(o=-4.9!,f=-5.4!) USER MOD Single : 1 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 12 GLN : amide:sc= -1.51 K(o=-1.5,f=-13!) USER MOD Single : 1 20 SER OG : rot 180:sc= 0 USER MOD Single : 1 23 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : 1 25 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : 1 30 ASN : amide:sc= -4.88! K(o=-4.9!,f=-0.72) USER MOD Single : 1 33 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 35 LYS NZ :NH3+ -160:sc= -0.0237 (180deg=-0.168) USER MOD Single : 1 41 GLN : amide:sc= -0.359 X(o=-0.36,f=-0.41) USER MOD Single : 1 43 ASN : amide:sc= -6.33! C(o=-6.3!,f=-6.6!) USER MOD Single : 1 44 TYR OH : rot 180:sc= 0 USER MOD Single : 1 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 54 LYS NZ :NH3+ 177:sc= 1.21 (180deg=0.98) USER MOD Single : 1 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 58 THR OG1 : rot 75:sc= 0.871 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+ -166:sc= -0.089 (180deg=-0.384) USER MOD Single : 1 76 SER OG : rot 69:sc= 1.14 USER MOD Single : 1 77 SER OG : rot -37:sc= 0.752 USER MOD Single : 1 82 ASN : amide:sc= -0.989 K(o=-0.99,f=0.17!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER 1 1 19.253 1.395 -11.423 1.00 0.00 N ATOM 2 CA SER 1 1 18.987 0.415 -10.337 1.00 0.00 C ATOM 3 C SER 1 1 17.490 0.279 -10.070 1.00 0.00 C ATOM 4 O SER 1 1 16.729 1.225 -10.267 1.00 0.00 O ATOM 5 CB SER 1 1 19.709 0.882 -9.072 1.00 0.00 C ATOM 6 OG SER 1 1 19.418 2.240 -8.790 1.00 0.00 O ATOM 0 H1 SER 1 1 20.074 1.082 -11.980 1.00 0.00 H new ATOM 0 H2 SER 1 1 18.420 1.462 -12.042 1.00 0.00 H new ATOM 0 H3 SER 1 1 19.452 2.328 -11.008 1.00 0.00 H new ATOM 0 HA SER 1 1 19.356 -0.565 -10.641 1.00 0.00 H new ATOM 0 HB2 SER 1 1 19.410 0.260 -8.228 1.00 0.00 H new ATOM 0 HB3 SER 1 1 20.785 0.755 -9.196 1.00 0.00 H new ATOM 0 HG SER 1 1 19.890 2.514 -7.976 1.00 0.00 H new ATOM 14 N PRO 1 2 17.048 -0.908 -9.618 1.00 0.00 N ATOM 15 CA PRO 1 2 15.641 -1.177 -9.324 1.00 0.00 C ATOM 16 C PRO 1 2 14.950 -0.013 -8.608 1.00 0.00 C ATOM 17 O PRO 1 2 13.931 0.493 -9.077 1.00 0.00 O ATOM 18 CB PRO 1 2 15.682 -2.421 -8.418 1.00 0.00 C ATOM 19 CG PRO 1 2 17.128 -2.794 -8.271 1.00 0.00 C ATOM 20 CD PRO 1 2 17.880 -2.085 -9.361 1.00 0.00 C ATOM 0 HA PRO 1 2 15.066 -1.322 -10.239 1.00 0.00 H new ATOM 0 HB2 PRO 1 2 15.236 -2.208 -7.447 1.00 0.00 H new ATOM 0 HB3 PRO 1 2 15.113 -3.240 -8.858 1.00 0.00 H new ATOM 0 HG2 PRO 1 2 17.504 -2.501 -7.291 1.00 0.00 H new ATOM 0 HG3 PRO 1 2 17.258 -3.873 -8.353 1.00 0.00 H new ATOM 0 HD2 PRO 1 2 18.885 -1.808 -9.044 1.00 0.00 H new ATOM 0 HD3 PRO 1 2 17.986 -2.707 -10.250 1.00 0.00 H new ATOM 28 N PRO 1 3 15.494 0.430 -7.460 1.00 0.00 N ATOM 29 CA PRO 1 3 14.919 1.537 -6.691 1.00 0.00 C ATOM 30 C PRO 1 3 15.141 2.886 -7.360 1.00 0.00 C ATOM 31 O PRO 1 3 16.196 3.499 -7.194 1.00 0.00 O ATOM 32 CB PRO 1 3 15.676 1.475 -5.364 1.00 0.00 C ATOM 33 CG PRO 1 3 16.988 0.866 -5.711 1.00 0.00 C ATOM 34 CD PRO 1 3 16.709 -0.109 -6.821 1.00 0.00 C ATOM 0 HA PRO 1 3 13.838 1.442 -6.590 1.00 0.00 H new ATOM 0 HB2 PRO 1 3 15.801 2.468 -4.932 1.00 0.00 H new ATOM 0 HB3 PRO 1 3 15.141 0.873 -4.630 1.00 0.00 H new ATOM 0 HG2 PRO 1 3 17.700 1.627 -6.030 1.00 0.00 H new ATOM 0 HG3 PRO 1 3 17.425 0.362 -4.849 1.00 0.00 H new ATOM 0 HD2 PRO 1 3 17.540 -0.165 -7.524 1.00 0.00 H new ATOM 0 HD3 PRO 1 3 16.547 -1.117 -6.438 1.00 0.00 H new ATOM 42 N VAL 1 4 14.146 3.357 -8.112 1.00 0.00 N ATOM 43 CA VAL 1 4 14.261 4.643 -8.786 1.00 0.00 C ATOM 44 C VAL 1 4 13.165 5.611 -8.341 1.00 0.00 C ATOM 45 O VAL 1 4 11.995 5.435 -8.679 1.00 0.00 O ATOM 46 CB VAL 1 4 14.204 4.484 -10.316 1.00 0.00 C ATOM 47 CG1 VAL 1 4 14.848 5.682 -10.996 1.00 0.00 C ATOM 48 CG2 VAL 1 4 14.881 3.192 -10.752 1.00 0.00 C ATOM 0 H VAL 1 4 13.262 2.871 -8.267 1.00 0.00 H new ATOM 0 HA VAL 1 4 15.231 5.054 -8.506 1.00 0.00 H new ATOM 0 HB VAL 1 4 13.158 4.435 -10.617 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 14.800 5.556 -12.078 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 14.316 6.590 -10.713 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 15.890 5.760 -10.685 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 14.828 3.102 -11.837 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 15.925 3.205 -10.439 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 14.375 2.343 -10.292 1.00 0.00 H new ATOM 58 N CYS 1 5 13.555 6.646 -7.599 1.00 0.00 N ATOM 59 CA CYS 1 5 12.605 7.653 -7.132 1.00 0.00 C ATOM 60 C CYS 1 5 12.472 8.749 -8.183 1.00 0.00 C ATOM 61 O CYS 1 5 13.335 9.618 -8.307 1.00 0.00 O ATOM 62 CB CYS 1 5 13.058 8.240 -5.787 1.00 0.00 C ATOM 63 SG CYS 1 5 12.190 9.766 -5.279 1.00 0.00 S ATOM 0 H CYS 1 5 14.519 6.809 -7.309 1.00 0.00 H new ATOM 0 HA CYS 1 5 11.632 7.186 -6.981 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 12.918 7.486 -5.013 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 14.127 8.448 -5.840 1.00 0.00 H new ATOM 68 N GLY 1 6 11.402 8.673 -8.959 1.00 0.00 N ATOM 69 CA GLY 1 6 11.176 9.629 -10.022 1.00 0.00 C ATOM 70 C GLY 1 6 11.253 8.952 -11.373 1.00 0.00 C ATOM 71 O GLY 1 6 11.637 9.561 -12.372 1.00 0.00 O ATOM 0 H GLY 1 6 10.679 7.959 -8.870 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 10.198 10.095 -9.898 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 11.918 10.426 -9.966 1.00 0.00 H new ATOM 75 N ASN 1 7 10.887 7.674 -11.386 1.00 0.00 N ATOM 76 CA ASN 1 7 10.906 6.866 -12.593 1.00 0.00 C ATOM 77 C ASN 1 7 9.579 6.134 -12.757 1.00 0.00 C ATOM 78 O ASN 1 7 9.418 5.309 -13.655 1.00 0.00 O ATOM 79 CB ASN 1 7 12.049 5.853 -12.513 1.00 0.00 C ATOM 80 CG ASN 1 7 13.216 6.230 -13.406 1.00 0.00 C ATOM 81 OD1 ASN 1 7 13.860 7.259 -13.203 1.00 0.00 O ATOM 82 ND2 ASN 1 7 13.493 5.396 -14.401 1.00 0.00 N ATOM 0 H ASN 1 7 10.569 7.172 -10.557 1.00 0.00 H new ATOM 0 HA ASN 1 7 11.057 7.517 -13.454 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 12.393 5.778 -11.482 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 11.679 4.868 -12.798 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 14.267 5.597 -15.035 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 12.932 4.554 -14.532 1.00 0.00 H new ATOM 89 N LYS 1 8 8.635 6.437 -11.869 1.00 0.00 N ATOM 90 CA LYS 1 8 7.325 5.810 -11.892 1.00 0.00 C ATOM 91 C LYS 1 8 7.403 4.375 -11.378 1.00 0.00 C ATOM 92 O LYS 1 8 6.485 3.583 -11.588 1.00 0.00 O ATOM 93 CB LYS 1 8 6.735 5.832 -13.305 1.00 0.00 C ATOM 94 CG LYS 1 8 5.222 5.973 -13.329 1.00 0.00 C ATOM 95 CD LYS 1 8 4.609 5.196 -14.483 1.00 0.00 C ATOM 96 CE LYS 1 8 4.731 3.696 -14.271 1.00 0.00 C ATOM 97 NZ LYS 1 8 4.893 2.964 -15.558 1.00 0.00 N ATOM 0 H LYS 1 8 8.759 7.119 -11.121 1.00 0.00 H new ATOM 0 HA LYS 1 8 6.670 6.380 -11.234 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 7.178 6.658 -13.862 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 7.014 4.913 -13.821 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 4.807 5.615 -12.387 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 4.955 7.026 -13.415 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 3.558 5.466 -14.587 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 5.103 5.474 -15.414 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 5.585 3.489 -13.626 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 3.844 3.329 -13.754 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 4.973 1.944 -15.370 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 4.067 3.141 -16.164 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 5.753 3.295 -16.040 1.00 0.00 H new ATOM 111 N ILE 1 9 8.501 4.045 -10.698 1.00 0.00 N ATOM 112 CA ILE 1 9 8.685 2.710 -10.155 1.00 0.00 C ATOM 113 C ILE 1 9 8.688 2.752 -8.637 1.00 0.00 C ATOM 114 O ILE 1 9 9.622 3.275 -8.030 1.00 0.00 O ATOM 115 CB ILE 1 9 10.008 2.061 -10.631 1.00 0.00 C ATOM 116 CG1 ILE 1 9 10.714 2.946 -11.662 1.00 0.00 C ATOM 117 CG2 ILE 1 9 9.745 0.678 -11.203 1.00 0.00 C ATOM 118 CD1 ILE 1 9 11.990 2.342 -12.207 1.00 0.00 C ATOM 0 H ILE 1 9 9.272 4.686 -10.513 1.00 0.00 H new ATOM 0 HA ILE 1 9 7.852 2.108 -10.519 1.00 0.00 H new ATOM 0 HB ILE 1 9 10.666 1.960 -9.768 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 10.032 3.140 -12.489 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 10.944 3.909 -11.205 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 10.685 0.236 -11.533 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 9.296 0.046 -10.436 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 9.065 0.758 -12.051 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 12.435 3.024 -12.931 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 12.691 2.173 -11.389 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 11.765 1.393 -12.693 1.00 0.00 H new ATOM 130 N LEU 1 10 7.655 2.189 -8.025 1.00 0.00 N ATOM 131 CA LEU 1 10 7.569 2.152 -6.572 1.00 0.00 C ATOM 132 C LEU 1 10 8.629 1.203 -6.034 1.00 0.00 C ATOM 133 O LEU 1 10 8.316 0.162 -5.455 1.00 0.00 O ATOM 134 CB LEU 1 10 6.176 1.701 -6.122 1.00 0.00 C ATOM 135 CG LEU 1 10 5.022 2.159 -7.018 1.00 0.00 C ATOM 136 CD1 LEU 1 10 4.670 1.078 -8.028 1.00 0.00 C ATOM 137 CD2 LEU 1 10 3.807 2.524 -6.179 1.00 0.00 C ATOM 0 H LEU 1 10 6.869 1.754 -8.509 1.00 0.00 H new ATOM 0 HA LEU 1 10 7.741 3.154 -6.179 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 6.164 0.612 -6.069 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 6.000 2.072 -5.112 1.00 0.00 H new ATOM 0 HG LEU 1 10 5.341 3.047 -7.563 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 3.848 1.421 -8.656 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 5.539 0.865 -8.651 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 4.371 0.172 -7.502 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 2.997 2.847 -6.833 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 3.486 1.654 -5.606 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 4.066 3.333 -5.496 1.00 0.00 H new ATOM 149 N GLU 1 11 9.890 1.563 -6.251 1.00 0.00 N ATOM 150 CA GLU 1 11 11.004 0.739 -5.816 1.00 0.00 C ATOM 151 C GLU 1 11 11.935 1.516 -4.892 1.00 0.00 C ATOM 152 O GLU 1 11 12.296 1.026 -3.823 1.00 0.00 O ATOM 153 CB GLU 1 11 11.768 0.209 -7.029 1.00 0.00 C ATOM 154 CG GLU 1 11 12.668 -0.973 -6.710 1.00 0.00 C ATOM 155 CD GLU 1 11 12.781 -1.948 -7.866 1.00 0.00 C ATOM 156 OE1 GLU 1 11 12.500 -1.543 -9.014 1.00 0.00 O ATOM 157 OE2 GLU 1 11 13.150 -3.116 -7.623 1.00 0.00 O ATOM 0 H GLU 1 11 10.163 2.423 -6.727 1.00 0.00 H new ATOM 0 HA GLU 1 11 10.607 -0.105 -5.253 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 11.054 -0.086 -7.798 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 12.373 1.014 -7.447 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 13.661 -0.608 -6.448 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 12.280 -1.495 -5.836 1.00 0.00 H new ATOM 164 N GLN 1 12 12.324 2.726 -5.297 1.00 0.00 N ATOM 165 CA GLN 1 12 13.212 3.545 -4.470 1.00 0.00 C ATOM 166 C GLN 1 12 12.514 4.015 -3.191 1.00 0.00 C ATOM 167 O GLN 1 12 12.371 5.215 -2.959 1.00 0.00 O ATOM 168 CB GLN 1 12 13.715 4.760 -5.251 1.00 0.00 C ATOM 169 CG GLN 1 12 14.689 5.622 -4.464 1.00 0.00 C ATOM 170 CD GLN 1 12 15.783 6.210 -5.333 1.00 0.00 C ATOM 171 OE1 GLN 1 12 15.893 5.888 -6.515 1.00 0.00 O ATOM 172 NE2 GLN 1 12 16.601 7.079 -4.748 1.00 0.00 N ATOM 0 H GLN 1 12 12.044 3.156 -6.179 1.00 0.00 H new ATOM 0 HA GLN 1 12 14.060 2.919 -4.192 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 14.200 4.419 -6.166 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 12.862 5.369 -5.550 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 14.142 6.430 -3.979 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 15.141 5.023 -3.673 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 16.473 7.317 -3.765 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 17.357 7.508 -5.283 1.00 0.00 H new ATOM 181 N GLY 1 13 12.095 3.062 -2.358 1.00 0.00 N ATOM 182 CA GLY 1 13 11.427 3.389 -1.105 1.00 0.00 C ATOM 183 C GLY 1 13 10.468 4.560 -1.222 1.00 0.00 C ATOM 184 O GLY 1 13 10.391 5.397 -0.322 1.00 0.00 O ATOM 0 H GLY 1 13 12.207 2.063 -2.530 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 10.880 2.514 -0.754 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 12.179 3.618 -0.350 1.00 0.00 H new ATOM 188 N GLU 1 14 9.738 4.625 -2.330 1.00 0.00 N ATOM 189 CA GLU 1 14 8.786 5.708 -2.550 1.00 0.00 C ATOM 190 C GLU 1 14 7.404 5.338 -2.026 1.00 0.00 C ATOM 191 O GLU 1 14 6.858 6.012 -1.152 1.00 0.00 O ATOM 192 CB GLU 1 14 8.690 6.050 -4.039 1.00 0.00 C ATOM 193 CG GLU 1 14 10.022 6.026 -4.765 1.00 0.00 C ATOM 194 CD GLU 1 14 10.338 4.667 -5.349 1.00 0.00 C ATOM 195 OE1 GLU 1 14 9.962 3.652 -4.726 1.00 0.00 O ATOM 196 OE2 GLU 1 14 10.960 4.615 -6.430 1.00 0.00 O ATOM 0 H GLU 1 14 9.787 3.943 -3.087 1.00 0.00 H new ATOM 0 HA GLU 1 14 9.148 6.579 -2.004 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 8.013 5.344 -4.520 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 8.247 7.040 -4.146 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 10.010 6.768 -5.564 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 10.814 6.314 -4.074 1.00 0.00 H new ATOM 203 N ASP 1 15 6.838 4.271 -2.582 1.00 0.00 N ATOM 204 CA ASP 1 15 5.507 3.805 -2.194 1.00 0.00 C ATOM 205 C ASP 1 15 4.424 4.671 -2.835 1.00 0.00 C ATOM 206 O ASP 1 15 3.249 4.574 -2.484 1.00 0.00 O ATOM 207 CB ASP 1 15 5.349 3.810 -0.670 1.00 0.00 C ATOM 208 CG ASP 1 15 4.493 2.661 -0.173 1.00 0.00 C ATOM 209 OD1 ASP 1 15 4.965 1.506 -0.219 1.00 0.00 O ATOM 210 OD2 ASP 1 15 3.350 2.917 0.261 1.00 0.00 O ATOM 0 H ASP 1 15 7.282 3.708 -3.308 1.00 0.00 H new ATOM 0 HA ASP 1 15 5.394 2.781 -2.551 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 6.333 3.753 -0.205 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 4.903 4.754 -0.357 1.00 0.00 H new ATOM 215 N CYS 1 16 4.836 5.514 -3.782 1.00 0.00 N ATOM 216 CA CYS 1 16 3.922 6.405 -4.492 1.00 0.00 C ATOM 217 C CYS 1 16 4.710 7.474 -5.237 1.00 0.00 C ATOM 218 O CYS 1 16 4.717 8.642 -4.849 1.00 0.00 O ATOM 219 CB CYS 1 16 2.928 7.062 -3.529 1.00 0.00 C ATOM 220 SG CYS 1 16 1.242 6.370 -3.601 1.00 0.00 S ATOM 0 H CYS 1 16 5.809 5.597 -4.077 1.00 0.00 H new ATOM 0 HA CYS 1 16 3.356 5.809 -5.208 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 3.306 6.962 -2.512 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 2.880 8.129 -3.748 1.00 0.00 H new ATOM 225 N ASP 1 17 5.380 7.063 -6.306 1.00 0.00 N ATOM 226 CA ASP 1 17 6.178 7.983 -7.100 1.00 0.00 C ATOM 227 C ASP 1 17 5.754 7.962 -8.566 1.00 0.00 C ATOM 228 O ASP 1 17 5.147 7.002 -9.041 1.00 0.00 O ATOM 229 CB ASP 1 17 7.663 7.627 -6.977 1.00 0.00 C ATOM 230 CG ASP 1 17 8.519 8.317 -8.022 1.00 0.00 C ATOM 231 OD1 ASP 1 17 8.621 9.561 -7.982 1.00 0.00 O ATOM 232 OD2 ASP 1 17 9.082 7.611 -8.885 1.00 0.00 O ATOM 0 H ASP 1 17 5.386 6.100 -6.641 1.00 0.00 H new ATOM 0 HA ASP 1 17 6.015 8.990 -6.717 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 8.017 7.902 -5.984 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 7.783 6.548 -7.070 1.00 0.00 H new ATOM 237 N CYS 1 18 6.101 9.029 -9.273 1.00 0.00 N ATOM 238 CA CYS 1 18 5.787 9.158 -10.689 1.00 0.00 C ATOM 239 C CYS 1 18 7.057 9.447 -11.484 1.00 0.00 C ATOM 240 O CYS 1 18 7.936 10.173 -11.020 1.00 0.00 O ATOM 241 CB CYS 1 18 4.775 10.281 -10.919 1.00 0.00 C ATOM 242 SG CYS 1 18 3.112 9.949 -10.253 1.00 0.00 S ATOM 0 H CYS 1 18 6.605 9.825 -8.884 1.00 0.00 H new ATOM 0 HA CYS 1 18 5.352 8.218 -11.028 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 5.158 11.196 -10.466 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 4.693 10.465 -11.990 1.00 0.00 H new ATOM 247 N GLY 1 19 7.152 8.883 -12.682 1.00 0.00 N ATOM 248 CA GLY 1 19 8.322 9.106 -13.515 1.00 0.00 C ATOM 249 C GLY 1 19 8.699 10.574 -13.600 1.00 0.00 C ATOM 250 O GLY 1 19 9.867 10.933 -13.457 1.00 0.00 O ATOM 0 H GLY 1 19 6.442 8.276 -13.092 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 9.163 8.540 -13.115 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 8.129 8.724 -14.518 1.00 0.00 H new ATOM 254 N SER 1 20 7.702 11.424 -13.829 1.00 0.00 N ATOM 255 CA SER 1 20 7.927 12.861 -13.926 1.00 0.00 C ATOM 256 C SER 1 20 6.820 13.634 -13.205 1.00 0.00 C ATOM 257 O SER 1 20 5.639 13.449 -13.498 1.00 0.00 O ATOM 258 CB SER 1 20 7.991 13.290 -15.393 1.00 0.00 C ATOM 259 OG SER 1 20 8.340 12.200 -16.228 1.00 0.00 O ATOM 0 H SER 1 20 6.730 11.141 -13.951 1.00 0.00 H new ATOM 0 HA SER 1 20 8.879 13.089 -13.446 1.00 0.00 H new ATOM 0 HB2 SER 1 20 7.026 13.693 -15.700 1.00 0.00 H new ATOM 0 HB3 SER 1 20 8.722 14.090 -15.510 1.00 0.00 H new ATOM 0 HG SER 1 20 8.373 12.500 -17.161 1.00 0.00 H new ATOM 265 N PRO 1 21 7.182 14.512 -12.250 1.00 0.00 N ATOM 266 CA PRO 1 21 6.205 15.306 -11.498 1.00 0.00 C ATOM 267 C PRO 1 21 5.152 15.946 -12.400 1.00 0.00 C ATOM 268 O PRO 1 21 4.024 16.196 -11.973 1.00 0.00 O ATOM 269 CB PRO 1 21 7.064 16.382 -10.837 1.00 0.00 C ATOM 270 CG PRO 1 21 8.398 15.743 -10.664 1.00 0.00 C ATOM 271 CD PRO 1 21 8.567 14.800 -11.826 1.00 0.00 C ATOM 0 HA PRO 1 21 5.639 14.695 -10.794 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 7.130 17.275 -11.459 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 6.645 16.691 -9.879 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 9.190 16.492 -10.652 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 8.453 15.207 -9.717 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 9.145 15.255 -12.630 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 9.092 13.892 -11.531 1.00 0.00 H new ATOM 279 N ALA 1 22 5.526 16.206 -13.648 1.00 0.00 N ATOM 280 CA ALA 1 22 4.613 16.813 -14.609 1.00 0.00 C ATOM 281 C ALA 1 22 3.745 15.754 -15.279 1.00 0.00 C ATOM 282 O ALA 1 22 2.618 16.028 -15.691 1.00 0.00 O ATOM 283 CB ALA 1 22 5.392 17.598 -15.654 1.00 0.00 C ATOM 0 H ALA 1 22 6.455 16.006 -14.018 1.00 0.00 H new ATOM 0 HA ALA 1 22 3.958 17.498 -14.071 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 4.698 18.046 -16.365 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 5.967 18.384 -15.165 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 6.070 16.927 -16.182 1.00 0.00 H new ATOM 289 N ASN 1 23 4.277 14.540 -15.376 1.00 0.00 N ATOM 290 CA ASN 1 23 3.552 13.433 -15.987 1.00 0.00 C ATOM 291 C ASN 1 23 3.092 12.438 -14.926 1.00 0.00 C ATOM 292 O ASN 1 23 2.838 11.270 -15.223 1.00 0.00 O ATOM 293 CB ASN 1 23 4.431 12.727 -17.021 1.00 0.00 C ATOM 294 CG ASN 1 23 4.512 13.489 -18.329 1.00 0.00 C ATOM 295 OD1 ASN 1 23 4.935 14.644 -18.363 1.00 0.00 O ATOM 296 ND2 ASN 1 23 4.104 12.843 -19.416 1.00 0.00 N ATOM 0 H ASN 1 23 5.209 14.298 -15.039 1.00 0.00 H new ATOM 0 HA ASN 1 23 2.672 13.837 -16.488 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 5.435 12.601 -16.615 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 4.035 11.729 -17.209 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 4.134 13.305 -20.325 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 3.761 11.885 -19.341 1.00 0.00 H new ATOM 303 N CYS 1 24 2.991 12.909 -13.687 1.00 0.00 N ATOM 304 CA CYS 1 24 2.568 12.069 -12.579 1.00 0.00 C ATOM 305 C CYS 1 24 1.117 11.644 -12.745 1.00 0.00 C ATOM 306 O CYS 1 24 0.204 12.287 -12.226 1.00 0.00 O ATOM 307 CB CYS 1 24 2.755 12.806 -11.253 1.00 0.00 C ATOM 308 SG CYS 1 24 2.403 11.793 -9.778 1.00 0.00 S ATOM 0 H CYS 1 24 3.198 13.873 -13.427 1.00 0.00 H new ATOM 0 HA CYS 1 24 3.188 11.173 -12.574 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 3.781 13.169 -11.194 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 2.106 13.681 -11.242 1.00 0.00 H new ATOM 313 N GLN 1 25 0.916 10.556 -13.475 1.00 0.00 N ATOM 314 CA GLN 1 25 -0.423 10.030 -13.721 1.00 0.00 C ATOM 315 C GLN 1 25 -0.909 9.174 -12.551 1.00 0.00 C ATOM 316 O GLN 1 25 -1.486 8.105 -12.751 1.00 0.00 O ATOM 317 CB GLN 1 25 -0.438 9.207 -15.011 1.00 0.00 C ATOM 318 CG GLN 1 25 0.514 8.023 -14.988 1.00 0.00 C ATOM 319 CD GLN 1 25 0.108 6.930 -15.957 1.00 0.00 C ATOM 320 OE1 GLN 1 25 -0.459 7.202 -17.015 1.00 0.00 O ATOM 321 NE2 GLN 1 25 0.398 5.685 -15.600 1.00 0.00 N ATOM 0 H GLN 1 25 1.665 10.017 -13.910 1.00 0.00 H new ATOM 0 HA GLN 1 25 -1.101 10.877 -13.825 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 -1.451 8.845 -15.189 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 -0.179 9.855 -15.848 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 1.520 8.365 -15.233 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 0.553 7.613 -13.979 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 0.869 5.505 -14.713 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 0.150 4.908 -16.212 1.00 0.00 H new ATOM 330 N ASP 1 26 -0.683 9.656 -11.332 1.00 0.00 N ATOM 331 CA ASP 1 26 -1.106 8.944 -10.135 1.00 0.00 C ATOM 332 C ASP 1 26 -1.688 9.921 -9.121 1.00 0.00 C ATOM 333 O ASP 1 26 -0.958 10.551 -8.359 1.00 0.00 O ATOM 334 CB ASP 1 26 0.073 8.188 -9.519 1.00 0.00 C ATOM 335 CG ASP 1 26 0.759 7.275 -10.515 1.00 0.00 C ATOM 336 OD1 ASP 1 26 1.248 7.782 -11.547 1.00 0.00 O ATOM 337 OD2 ASP 1 26 0.805 6.052 -10.265 1.00 0.00 O ATOM 0 H ASP 1 26 -0.208 10.540 -11.149 1.00 0.00 H new ATOM 0 HA ASP 1 26 -1.875 8.223 -10.413 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 0.796 8.904 -9.129 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 -0.280 7.598 -8.673 1.00 0.00 H new ATOM 342 N ARG 1 27 -3.008 10.051 -9.127 1.00 0.00 N ATOM 343 CA ARG 1 27 -3.691 10.960 -8.217 1.00 0.00 C ATOM 344 C ARG 1 27 -3.488 10.549 -6.761 1.00 0.00 C ATOM 345 O ARG 1 27 -3.662 11.358 -5.850 1.00 0.00 O ATOM 346 CB ARG 1 27 -5.181 11.006 -8.549 1.00 0.00 C ATOM 347 CG ARG 1 27 -5.943 12.079 -7.788 1.00 0.00 C ATOM 348 CD ARG 1 27 -6.111 13.340 -8.621 1.00 0.00 C ATOM 349 NE ARG 1 27 -7.410 13.971 -8.403 1.00 0.00 N ATOM 350 CZ ARG 1 27 -7.774 14.542 -7.256 1.00 0.00 C ATOM 351 NH1 ARG 1 27 -6.940 14.562 -6.223 1.00 0.00 N ATOM 352 NH2 ARG 1 27 -8.974 15.094 -7.143 1.00 0.00 N ATOM 0 H ARG 1 27 -3.628 9.537 -9.753 1.00 0.00 H new ATOM 0 HA ARG 1 27 -3.261 11.953 -8.345 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 -5.301 11.177 -9.619 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 -5.623 10.034 -8.330 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 -6.923 11.697 -7.502 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 -5.413 12.319 -6.866 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 -5.319 14.046 -8.373 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 -6.000 13.094 -9.677 1.00 0.00 H new ATOM 0 HE ARG 1 27 -8.078 13.975 -9.174 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 -6.016 14.139 -6.306 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 -7.224 15.001 -5.347 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 -9.618 15.081 -7.934 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 -9.254 15.531 -6.265 1.00 0.00 H new ATOM 366 N CYS 1 28 -3.118 9.290 -6.545 1.00 0.00 N ATOM 367 CA CYS 1 28 -2.892 8.783 -5.196 1.00 0.00 C ATOM 368 C CYS 1 28 -1.398 8.708 -4.871 1.00 0.00 C ATOM 369 O CYS 1 28 -1.017 8.361 -3.753 1.00 0.00 O ATOM 370 CB CYS 1 28 -3.534 7.402 -5.038 1.00 0.00 C ATOM 371 SG CYS 1 28 -4.260 7.102 -3.394 1.00 0.00 S ATOM 0 H CYS 1 28 -2.969 8.604 -7.285 1.00 0.00 H new ATOM 0 HA CYS 1 28 -3.354 9.478 -4.495 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 -4.311 7.286 -5.793 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 -2.781 6.639 -5.236 1.00 0.00 H new ATOM 376 N CYS 1 29 -0.556 9.035 -5.850 1.00 0.00 N ATOM 377 CA CYS 1 29 0.892 9.001 -5.659 1.00 0.00 C ATOM 378 C CYS 1 29 1.550 10.245 -6.254 1.00 0.00 C ATOM 379 O CYS 1 29 1.261 10.629 -7.385 1.00 0.00 O ATOM 380 CB CYS 1 29 1.473 7.744 -6.304 1.00 0.00 C ATOM 381 SG CYS 1 29 0.853 6.188 -5.586 1.00 0.00 S ATOM 0 H CYS 1 29 -0.851 9.326 -6.782 1.00 0.00 H new ATOM 0 HA CYS 1 29 1.097 8.984 -4.589 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 1.245 7.756 -7.370 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 2.559 7.768 -6.210 1.00 0.00 H new ATOM 386 N ASN 1 30 2.432 10.877 -5.482 1.00 0.00 N ATOM 387 CA ASN 1 30 3.119 12.084 -5.939 1.00 0.00 C ATOM 388 C ASN 1 30 4.614 11.843 -6.139 1.00 0.00 C ATOM 389 O ASN 1 30 5.293 11.304 -5.260 1.00 0.00 O ATOM 390 CB ASN 1 30 2.904 13.223 -4.939 1.00 0.00 C ATOM 391 CG ASN 1 30 3.586 14.509 -5.365 1.00 0.00 C ATOM 392 OD1 ASN 1 30 3.445 14.952 -6.505 1.00 0.00 O ATOM 393 ND2 ASN 1 30 4.331 15.115 -4.448 1.00 0.00 N ATOM 0 H ASN 1 30 2.687 10.575 -4.542 1.00 0.00 H new ATOM 0 HA ASN 1 30 2.693 12.360 -6.904 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 1.835 13.404 -4.824 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 3.283 12.921 -3.963 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 4.815 15.984 -4.676 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 4.420 14.712 -3.515 1.00 0.00 H new ATOM 400 N ALA 1 31 5.119 12.262 -7.301 1.00 0.00 N ATOM 401 CA ALA 1 31 6.533 12.115 -7.630 1.00 0.00 C ATOM 402 C ALA 1 31 7.380 13.098 -6.832 1.00 0.00 C ATOM 403 O ALA 1 31 8.434 12.745 -6.304 1.00 0.00 O ATOM 404 CB ALA 1 31 6.752 12.337 -9.118 1.00 0.00 C ATOM 0 H ALA 1 31 4.564 12.708 -8.032 1.00 0.00 H new ATOM 0 HA ALA 1 31 6.839 11.102 -7.369 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 7.811 12.225 -9.351 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 6.176 11.604 -9.684 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 6.426 13.341 -9.388 1.00 0.00 H new ATOM 410 N ALA 1 32 6.906 14.338 -6.756 1.00 0.00 N ATOM 411 CA ALA 1 32 7.610 15.390 -6.030 1.00 0.00 C ATOM 412 C ALA 1 32 7.947 14.963 -4.603 1.00 0.00 C ATOM 413 O ALA 1 32 8.828 15.540 -3.967 1.00 0.00 O ATOM 414 CB ALA 1 32 6.777 16.664 -6.018 1.00 0.00 C ATOM 0 H ALA 1 32 6.034 14.640 -7.190 1.00 0.00 H new ATOM 0 HA ALA 1 32 8.551 15.580 -6.547 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 7.311 17.443 -5.474 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 6.600 16.993 -7.042 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 5.822 16.470 -5.529 1.00 0.00 H new ATOM 420 N THR 1 33 7.244 13.950 -4.105 1.00 0.00 N ATOM 421 CA THR 1 33 7.475 13.452 -2.757 1.00 0.00 C ATOM 422 C THR 1 33 7.895 11.990 -2.786 1.00 0.00 C ATOM 423 O THR 1 33 8.440 11.472 -1.811 1.00 0.00 O ATOM 424 CB THR 1 33 6.206 13.596 -1.912 1.00 0.00 C ATOM 425 OG1 THR 1 33 6.487 13.369 -0.543 1.00 0.00 O ATOM 426 CG2 THR 1 33 5.102 12.638 -2.319 1.00 0.00 C ATOM 0 H THR 1 33 6.510 13.459 -4.616 1.00 0.00 H new ATOM 0 HA THR 1 33 8.276 14.043 -2.314 1.00 0.00 H new ATOM 0 HB THR 1 33 5.861 14.616 -2.081 1.00 0.00 H new ATOM 0 HG1 THR 1 33 5.664 13.467 -0.020 1.00 0.00 H new ATOM 0 HG21 THR 1 33 4.232 12.793 -1.681 1.00 0.00 H new ATOM 0 HG22 THR 1 33 4.827 12.820 -3.358 1.00 0.00 H new ATOM 0 HG23 THR 1 33 5.453 11.612 -2.211 1.00 0.00 H new ATOM 434 N CYS 1 34 7.610 11.319 -3.897 1.00 0.00 N ATOM 435 CA CYS 1 34 7.930 9.912 -4.027 1.00 0.00 C ATOM 436 C CYS 1 34 7.221 9.142 -2.922 1.00 0.00 C ATOM 437 O CYS 1 34 7.776 8.221 -2.326 1.00 0.00 O ATOM 438 CB CYS 1 34 9.447 9.692 -3.957 1.00 0.00 C ATOM 439 SG CYS 1 34 10.225 9.348 -5.571 1.00 0.00 S ATOM 0 H CYS 1 34 7.160 11.730 -4.715 1.00 0.00 H new ATOM 0 HA CYS 1 34 7.590 9.549 -4.997 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 9.912 10.577 -3.523 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 9.652 8.861 -3.282 1.00 0.00 H new ATOM 444 N LYS 1 35 5.985 9.550 -2.644 1.00 0.00 N ATOM 445 CA LYS 1 35 5.189 8.922 -1.597 1.00 0.00 C ATOM 446 C LYS 1 35 3.708 9.270 -1.752 1.00 0.00 C ATOM 447 O LYS 1 35 3.339 10.107 -2.576 1.00 0.00 O ATOM 448 CB LYS 1 35 5.718 9.347 -0.215 1.00 0.00 C ATOM 449 CG LYS 1 35 4.883 10.403 0.503 1.00 0.00 C ATOM 450 CD LYS 1 35 3.914 9.770 1.490 1.00 0.00 C ATOM 451 CE LYS 1 35 3.884 10.529 2.807 1.00 0.00 C ATOM 452 NZ LYS 1 35 5.159 10.383 3.562 1.00 0.00 N ATOM 0 H LYS 1 35 5.514 10.313 -3.130 1.00 0.00 H new ATOM 0 HA LYS 1 35 5.280 7.840 -1.687 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 5.781 8.463 0.420 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 6.733 9.728 -0.333 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 5.542 11.093 1.030 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 4.327 10.989 -0.229 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 2.914 9.750 1.057 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 4.203 8.735 1.672 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 3.696 11.585 2.613 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 3.057 10.165 3.417 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 4.997 10.609 4.564 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 5.502 9.405 3.479 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 5.870 11.033 3.171 1.00 0.00 H new ATOM 466 N LEU 1 36 2.867 8.615 -0.956 1.00 0.00 N ATOM 467 CA LEU 1 36 1.424 8.843 -1.000 1.00 0.00 C ATOM 468 C LEU 1 36 1.093 10.335 -0.973 1.00 0.00 C ATOM 469 O LEU 1 36 1.690 11.100 -0.216 1.00 0.00 O ATOM 470 CB LEU 1 36 0.744 8.143 0.180 1.00 0.00 C ATOM 471 CG LEU 1 36 0.659 6.617 0.077 1.00 0.00 C ATOM 472 CD1 LEU 1 36 0.912 5.975 1.432 1.00 0.00 C ATOM 473 CD2 LEU 1 36 -0.696 6.196 -0.468 1.00 0.00 C ATOM 0 H LEU 1 36 3.161 7.919 -0.270 1.00 0.00 H new ATOM 0 HA LEU 1 36 1.050 8.428 -1.936 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 1.283 8.399 1.092 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 -0.266 8.540 0.284 1.00 0.00 H new ATOM 0 HG LEU 1 36 1.430 6.275 -0.614 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 0.847 4.891 1.339 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 1.906 6.250 1.785 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 0.164 6.323 2.145 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 -0.740 5.109 -0.535 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 -1.482 6.550 0.198 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 -0.839 6.626 -1.459 1.00 0.00 H new ATOM 485 N THR 1 37 0.133 10.739 -1.800 1.00 0.00 N ATOM 486 CA THR 1 37 -0.281 12.137 -1.864 1.00 0.00 C ATOM 487 C THR 1 37 -1.266 12.455 -0.742 1.00 0.00 C ATOM 488 O THR 1 37 -1.788 11.549 -0.093 1.00 0.00 O ATOM 489 CB THR 1 37 -0.923 12.445 -3.220 1.00 0.00 C ATOM 490 OG1 THR 1 37 -2.272 12.012 -3.247 1.00 0.00 O ATOM 491 CG2 THR 1 37 -0.212 11.797 -4.387 1.00 0.00 C ATOM 0 H THR 1 37 -0.372 10.120 -2.434 1.00 0.00 H new ATOM 0 HA THR 1 37 0.605 12.760 -1.743 1.00 0.00 H new ATOM 0 HB THR 1 37 -0.850 13.527 -3.330 1.00 0.00 H new ATOM 0 HG1 THR 1 37 -2.339 11.124 -2.837 1.00 0.00 H new ATOM 0 HG21 THR 1 37 -0.722 12.059 -5.314 1.00 0.00 H new ATOM 0 HG22 THR 1 37 0.818 12.150 -4.427 1.00 0.00 H new ATOM 0 HG23 THR 1 37 -0.220 10.714 -4.262 1.00 0.00 H new ATOM 499 N PRO 1 38 -1.541 13.749 -0.496 1.00 0.00 N ATOM 500 CA PRO 1 38 -2.474 14.165 0.555 1.00 0.00 C ATOM 501 C PRO 1 38 -3.815 13.449 0.440 1.00 0.00 C ATOM 502 O PRO 1 38 -4.534 13.611 -0.547 1.00 0.00 O ATOM 503 CB PRO 1 38 -2.641 15.666 0.308 1.00 0.00 C ATOM 504 CG PRO 1 38 -1.386 16.077 -0.379 1.00 0.00 C ATOM 505 CD PRO 1 38 -0.971 14.901 -1.220 1.00 0.00 C ATOM 0 HA PRO 1 38 -2.106 13.927 1.553 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 -3.516 15.871 -0.309 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 -2.777 16.209 1.243 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 -1.550 16.960 -0.997 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 -0.611 16.333 0.344 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 -1.364 14.973 -2.234 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 0.113 14.828 -1.302 1.00 0.00 H new ATOM 513 N GLY 1 39 -4.139 12.647 1.447 1.00 0.00 N ATOM 514 CA GLY 1 39 -5.385 11.907 1.433 1.00 0.00 C ATOM 515 C GLY 1 39 -5.178 10.456 1.046 1.00 0.00 C ATOM 516 O GLY 1 39 -6.027 9.606 1.315 1.00 0.00 O ATOM 0 H GLY 1 39 -3.560 12.496 2.273 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 -5.848 11.957 2.419 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 -6.077 12.374 0.732 1.00 0.00 H new ATOM 520 N SER 1 40 -4.042 10.174 0.413 1.00 0.00 N ATOM 521 CA SER 1 40 -3.717 8.820 -0.013 1.00 0.00 C ATOM 522 C SER 1 40 -3.113 8.022 1.137 1.00 0.00 C ATOM 523 O SER 1 40 -2.018 8.329 1.608 1.00 0.00 O ATOM 524 CB SER 1 40 -2.741 8.857 -1.190 1.00 0.00 C ATOM 525 OG SER 1 40 -3.274 9.601 -2.272 1.00 0.00 O ATOM 0 H SER 1 40 -3.331 10.869 0.184 1.00 0.00 H new ATOM 0 HA SER 1 40 -4.639 8.331 -0.328 1.00 0.00 H new ATOM 0 HB2 SER 1 40 -1.798 9.299 -0.870 1.00 0.00 H new ATOM 0 HB3 SER 1 40 -2.522 7.840 -1.517 1.00 0.00 H new ATOM 0 HG SER 1 40 -3.993 9.089 -2.698 1.00 0.00 H new ATOM 531 N GLN 1 41 -3.833 7.002 1.590 1.00 0.00 N ATOM 532 CA GLN 1 41 -3.361 6.169 2.690 1.00 0.00 C ATOM 533 C GLN 1 41 -3.071 4.738 2.237 1.00 0.00 C ATOM 534 O GLN 1 41 -2.958 3.837 3.065 1.00 0.00 O ATOM 535 CB GLN 1 41 -4.388 6.160 3.824 1.00 0.00 C ATOM 536 CG GLN 1 41 -3.989 7.019 5.013 1.00 0.00 C ATOM 537 CD GLN 1 41 -2.614 6.671 5.549 1.00 0.00 C ATOM 538 OE1 GLN 1 41 -2.375 5.550 5.998 1.00 0.00 O ATOM 539 NE2 GLN 1 41 -1.700 7.634 5.503 1.00 0.00 N ATOM 0 H GLN 1 41 -4.742 6.733 1.214 1.00 0.00 H new ATOM 0 HA GLN 1 41 -2.426 6.599 3.049 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 -5.346 6.510 3.439 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 -4.536 5.134 4.161 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 -4.006 8.069 4.720 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 -4.726 6.898 5.807 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 -1.942 8.549 5.122 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 -0.756 7.458 5.848 1.00 0.00 H new ATOM 548 N CYS 1 42 -2.952 4.526 0.928 1.00 0.00 N ATOM 549 CA CYS 1 42 -2.675 3.190 0.406 1.00 0.00 C ATOM 550 C CYS 1 42 -2.250 3.229 -1.063 1.00 0.00 C ATOM 551 O CYS 1 42 -1.197 2.704 -1.422 1.00 0.00 O ATOM 552 CB CYS 1 42 -3.894 2.282 0.602 1.00 0.00 C ATOM 553 SG CYS 1 42 -5.323 2.662 -0.463 1.00 0.00 S ATOM 0 H CYS 1 42 -3.042 5.252 0.217 1.00 0.00 H new ATOM 0 HA CYS 1 42 -1.837 2.778 0.969 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 -3.591 1.250 0.422 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 -4.210 2.345 1.643 1.00 0.00 H new ATOM 558 N ASN 1 43 -3.071 3.843 -1.906 1.00 0.00 N ATOM 559 CA ASN 1 43 -2.793 3.947 -3.339 1.00 0.00 C ATOM 560 C ASN 1 43 -2.837 2.576 -4.025 1.00 0.00 C ATOM 561 O ASN 1 43 -3.123 2.480 -5.218 1.00 0.00 O ATOM 562 CB ASN 1 43 -1.440 4.636 -3.571 1.00 0.00 C ATOM 563 CG ASN 1 43 -0.308 3.666 -3.868 1.00 0.00 C ATOM 564 OD1 ASN 1 43 0.534 3.394 -3.012 1.00 0.00 O ATOM 565 ND2 ASN 1 43 -0.281 3.144 -5.090 1.00 0.00 N ATOM 0 H ASN 1 43 -3.946 4.282 -1.620 1.00 0.00 H new ATOM 0 HA ASN 1 43 -3.576 4.557 -3.789 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 -1.535 5.336 -4.401 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 -1.184 5.222 -2.688 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 0.458 2.490 -5.349 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 -0.999 3.397 -5.769 1.00 0.00 H new ATOM 572 N TYR 1 44 -2.558 1.525 -3.260 1.00 0.00 N ATOM 573 CA TYR 1 44 -2.566 0.160 -3.777 1.00 0.00 C ATOM 574 C TYR 1 44 -2.150 -0.822 -2.683 1.00 0.00 C ATOM 575 O TYR 1 44 -1.495 -0.440 -1.713 1.00 0.00 O ATOM 576 CB TYR 1 44 -1.633 0.038 -4.994 1.00 0.00 C ATOM 577 CG TYR 1 44 -0.256 -0.509 -4.674 1.00 0.00 C ATOM 578 CD1 TYR 1 44 0.693 0.276 -4.033 1.00 0.00 C ATOM 579 CD2 TYR 1 44 0.090 -1.811 -5.013 1.00 0.00 C ATOM 580 CE1 TYR 1 44 1.949 -0.220 -3.739 1.00 0.00 C ATOM 581 CE2 TYR 1 44 1.343 -2.315 -4.722 1.00 0.00 C ATOM 582 CZ TYR 1 44 2.269 -1.516 -4.085 1.00 0.00 C ATOM 583 OH TYR 1 44 3.518 -2.014 -3.794 1.00 0.00 O ATOM 0 H TYR 1 44 -2.321 1.594 -2.270 1.00 0.00 H new ATOM 0 HA TYR 1 44 -3.579 -0.084 -4.097 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 -2.104 -0.608 -5.735 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 -1.523 1.021 -5.452 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 0.446 1.291 -3.760 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 -0.632 -2.440 -5.512 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 2.676 0.404 -3.241 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 1.596 -3.330 -4.992 1.00 0.00 H new ATOM 0 HH TYR 1 44 3.580 -2.942 -4.103 1.00 0.00 H new ATOM 593 N GLY 1 45 -2.526 -2.086 -2.844 1.00 0.00 N ATOM 594 CA GLY 1 45 -2.172 -3.093 -1.860 1.00 0.00 C ATOM 595 C GLY 1 45 -3.381 -3.798 -1.278 1.00 0.00 C ATOM 596 O GLY 1 45 -4.517 -3.372 -1.483 1.00 0.00 O ATOM 0 H GLY 1 45 -3.068 -2.431 -3.636 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -1.515 -3.830 -2.322 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -1.608 -2.624 -1.054 1.00 0.00 H new ATOM 600 N GLU 1 46 -3.132 -4.881 -0.549 1.00 0.00 N ATOM 601 CA GLU 1 46 -4.202 -5.656 0.069 1.00 0.00 C ATOM 602 C GLU 1 46 -5.024 -4.793 1.018 1.00 0.00 C ATOM 603 O GLU 1 46 -6.254 -4.834 1.006 1.00 0.00 O ATOM 604 CB GLU 1 46 -3.614 -6.843 0.832 1.00 0.00 C ATOM 605 CG GLU 1 46 -3.544 -8.121 0.012 1.00 0.00 C ATOM 606 CD GLU 1 46 -2.813 -7.930 -1.303 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -1.569 -8.042 -1.313 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -3.485 -7.670 -2.323 1.00 0.00 O ATOM 0 H GLU 1 46 -2.195 -5.243 -0.371 1.00 0.00 H new ATOM 0 HA GLU 1 46 -4.858 -6.020 -0.722 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -2.611 -6.584 1.172 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -4.216 -7.025 1.723 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -3.042 -8.895 0.593 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -4.555 -8.477 -0.187 1.00 0.00 H new ATOM 615 N CYS 1 47 -4.334 -4.019 1.846 1.00 0.00 N ATOM 616 CA CYS 1 47 -4.993 -3.151 2.812 1.00 0.00 C ATOM 617 C CYS 1 47 -5.574 -1.907 2.140 1.00 0.00 C ATOM 618 O CYS 1 47 -6.405 -1.213 2.723 1.00 0.00 O ATOM 619 CB CYS 1 47 -4.007 -2.745 3.906 1.00 0.00 C ATOM 620 SG CYS 1 47 -4.026 -3.836 5.361 1.00 0.00 S ATOM 0 H CYS 1 47 -3.315 -3.975 1.867 1.00 0.00 H new ATOM 0 HA CYS 1 47 -5.818 -3.707 3.257 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 -3.001 -2.732 3.487 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 -4.233 -1.727 4.225 1.00 0.00 H new ATOM 625 N CYS 1 48 -5.130 -1.621 0.919 1.00 0.00 N ATOM 626 CA CYS 1 48 -5.609 -0.454 0.195 1.00 0.00 C ATOM 627 C CYS 1 48 -7.079 -0.587 -0.188 1.00 0.00 C ATOM 628 O CYS 1 48 -7.526 -1.638 -0.647 1.00 0.00 O ATOM 629 CB CYS 1 48 -4.783 -0.243 -1.073 1.00 0.00 C ATOM 630 SG CYS 1 48 -5.189 1.295 -1.955 1.00 0.00 S ATOM 0 H CYS 1 48 -4.442 -2.180 0.415 1.00 0.00 H new ATOM 0 HA CYS 1 48 -5.502 0.403 0.860 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 -3.725 -0.234 -0.811 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 -4.938 -1.089 -1.743 1.00 0.00 H new ATOM 635 N ASP 1 49 -7.819 0.502 -0.003 1.00 0.00 N ATOM 636 CA ASP 1 49 -9.238 0.545 -0.331 1.00 0.00 C ATOM 637 C ASP 1 49 -9.695 1.991 -0.500 1.00 0.00 C ATOM 638 O ASP 1 49 -9.860 2.718 0.479 1.00 0.00 O ATOM 639 CB ASP 1 49 -10.061 -0.142 0.760 1.00 0.00 C ATOM 640 CG ASP 1 49 -11.238 -0.916 0.197 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -11.616 -0.658 -0.965 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -11.781 -1.779 0.918 1.00 0.00 O ATOM 0 H ASP 1 49 -7.453 1.375 0.377 1.00 0.00 H new ATOM 0 HA ASP 1 49 -9.393 0.013 -1.270 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -9.419 -0.820 1.322 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -10.425 0.608 1.462 1.00 0.00 H new ATOM 647 N GLN 1 50 -9.883 2.406 -1.750 1.00 0.00 N ATOM 648 CA GLN 1 50 -10.306 3.771 -2.046 1.00 0.00 C ATOM 649 C GLN 1 50 -9.243 4.769 -1.593 1.00 0.00 C ATOM 650 O GLN 1 50 -9.556 5.816 -1.028 1.00 0.00 O ATOM 651 CB GLN 1 50 -11.642 4.078 -1.365 1.00 0.00 C ATOM 652 CG GLN 1 50 -12.852 3.776 -2.234 1.00 0.00 C ATOM 653 CD GLN 1 50 -13.275 4.964 -3.076 1.00 0.00 C ATOM 654 OE1 GLN 1 50 -13.897 5.902 -2.578 1.00 0.00 O ATOM 655 NE2 GLN 1 50 -12.939 4.928 -4.361 1.00 0.00 N ATOM 0 H GLN 1 50 -9.749 1.818 -2.572 1.00 0.00 H new ATOM 0 HA GLN 1 50 -10.435 3.864 -3.124 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 -11.713 3.498 -0.445 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 -11.662 5.130 -1.082 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 -12.624 2.934 -2.888 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 -13.684 3.470 -1.599 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 -12.423 4.130 -4.731 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 -13.197 5.699 -4.977 1.00 0.00 H new ATOM 664 N CYS 1 51 -7.982 4.426 -1.842 1.00 0.00 N ATOM 665 CA CYS 1 51 -6.860 5.278 -1.459 1.00 0.00 C ATOM 666 C CYS 1 51 -6.781 5.426 0.060 1.00 0.00 C ATOM 667 O CYS 1 51 -6.209 6.388 0.572 1.00 0.00 O ATOM 668 CB CYS 1 51 -6.974 6.654 -2.117 1.00 0.00 C ATOM 669 SG CYS 1 51 -6.223 6.748 -3.776 1.00 0.00 S ATOM 0 H CYS 1 51 -7.711 3.561 -2.309 1.00 0.00 H new ATOM 0 HA CYS 1 51 -5.944 4.800 -1.808 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 -8.027 6.924 -2.191 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 -6.500 7.394 -1.472 1.00 0.00 H new ATOM 674 N ARG 1 52 -7.353 4.459 0.775 1.00 0.00 N ATOM 675 CA ARG 1 52 -7.344 4.468 2.234 1.00 0.00 C ATOM 676 C ARG 1 52 -7.182 3.049 2.772 1.00 0.00 C ATOM 677 O ARG 1 52 -7.865 2.127 2.325 1.00 0.00 O ATOM 678 CB ARG 1 52 -8.634 5.089 2.772 1.00 0.00 C ATOM 679 CG ARG 1 52 -8.542 6.590 2.991 1.00 0.00 C ATOM 680 CD ARG 1 52 -8.174 6.922 4.428 1.00 0.00 C ATOM 681 NE ARG 1 52 -7.279 8.074 4.512 1.00 0.00 N ATOM 682 CZ ARG 1 52 -6.857 8.602 5.659 1.00 0.00 C ATOM 683 NH1 ARG 1 52 -7.245 8.085 6.818 1.00 0.00 N ATOM 684 NH2 ARG 1 52 -6.044 9.649 5.646 1.00 0.00 N ATOM 0 H ARG 1 52 -7.830 3.657 0.364 1.00 0.00 H new ATOM 0 HA ARG 1 52 -6.500 5.070 2.570 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 -9.446 4.881 2.075 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 -8.893 4.608 3.715 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 -7.797 7.012 2.317 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 -9.496 7.054 2.742 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 -9.081 7.126 4.997 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 -7.696 6.057 4.889 1.00 0.00 H new ATOM 0 HE ARG 1 52 -6.959 8.498 3.641 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 -7.870 7.279 6.833 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 -6.918 8.494 7.694 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 -5.742 10.049 4.758 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 -5.720 10.054 6.524 1.00 0.00 H new ATOM 698 N PHE 1 53 -6.272 2.873 3.726 1.00 0.00 N ATOM 699 CA PHE 1 53 -6.026 1.558 4.307 1.00 0.00 C ATOM 700 C PHE 1 53 -7.283 0.993 4.944 1.00 0.00 C ATOM 701 O PHE 1 53 -8.104 1.728 5.491 1.00 0.00 O ATOM 702 CB PHE 1 53 -4.908 1.618 5.352 1.00 0.00 C ATOM 703 CG PHE 1 53 -3.537 1.760 4.759 1.00 0.00 C ATOM 704 CD1 PHE 1 53 -3.228 1.160 3.550 1.00 0.00 C ATOM 705 CD2 PHE 1 53 -2.559 2.493 5.409 1.00 0.00 C ATOM 706 CE1 PHE 1 53 -1.973 1.288 3.000 1.00 0.00 C ATOM 707 CE2 PHE 1 53 -1.297 2.626 4.863 1.00 0.00 C ATOM 708 CZ PHE 1 53 -1.003 2.022 3.655 1.00 0.00 C ATOM 0 H PHE 1 53 -5.695 3.621 4.111 1.00 0.00 H new ATOM 0 HA PHE 1 53 -5.718 0.901 3.494 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 -5.093 2.457 6.022 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 -4.940 0.713 5.958 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 -3.981 0.585 3.032 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 -2.785 2.966 6.353 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 -1.746 0.815 2.056 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 -0.542 3.201 5.379 1.00 0.00 H new ATOM 0 HZ PHE 1 53 -0.018 2.124 3.224 1.00 0.00 H new ATOM 718 N LYS 1 54 -7.418 -0.324 4.877 1.00 0.00 N ATOM 719 CA LYS 1 54 -8.569 -0.996 5.458 1.00 0.00 C ATOM 720 C LYS 1 54 -8.487 -0.952 6.978 1.00 0.00 C ATOM 721 O LYS 1 54 -7.603 -1.563 7.575 1.00 0.00 O ATOM 722 CB LYS 1 54 -8.642 -2.446 4.976 1.00 0.00 C ATOM 723 CG LYS 1 54 -9.493 -2.630 3.730 1.00 0.00 C ATOM 724 CD LYS 1 54 -8.964 -3.754 2.853 1.00 0.00 C ATOM 725 CE LYS 1 54 -8.892 -3.336 1.393 1.00 0.00 C ATOM 726 NZ LYS 1 54 -8.775 -4.509 0.484 1.00 0.00 N ATOM 0 H LYS 1 54 -6.746 -0.946 4.427 1.00 0.00 H new ATOM 0 HA LYS 1 54 -9.473 -0.478 5.137 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -7.633 -2.804 4.773 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -9.045 -3.066 5.776 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -10.521 -2.847 4.020 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -9.511 -1.701 3.160 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -7.973 -4.049 3.197 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -9.609 -4.627 2.951 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -9.783 -2.764 1.135 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -8.037 -2.676 1.246 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -8.780 -4.184 -0.504 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -7.886 -5.012 0.679 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -9.578 -5.151 0.641 1.00 0.00 H new ATOM 740 N LYS 1 55 -9.406 -0.217 7.598 1.00 0.00 N ATOM 741 CA LYS 1 55 -9.434 -0.082 9.054 1.00 0.00 C ATOM 742 C LYS 1 55 -9.042 -1.387 9.741 1.00 0.00 C ATOM 743 O LYS 1 55 -9.609 -2.447 9.457 1.00 0.00 O ATOM 744 CB LYS 1 55 -10.826 0.351 9.518 1.00 0.00 C ATOM 745 CG LYS 1 55 -10.921 0.588 11.016 1.00 0.00 C ATOM 746 CD LYS 1 55 -10.543 2.015 11.379 1.00 0.00 C ATOM 747 CE LYS 1 55 -9.086 2.116 11.799 1.00 0.00 C ATOM 748 NZ LYS 1 55 -8.528 3.473 11.546 1.00 0.00 N ATOM 0 H LYS 1 55 -10.143 0.296 7.115 1.00 0.00 H new ATOM 0 HA LYS 1 55 -8.706 0.681 9.332 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 -11.106 1.266 8.995 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 -11.549 -0.413 9.233 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 -11.936 0.382 11.354 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 -10.264 -0.108 11.538 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 -10.723 2.668 10.525 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 -11.181 2.367 12.189 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 -8.996 1.879 12.859 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 -8.499 1.375 11.256 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 -7.533 3.501 11.846 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 -8.590 3.690 10.531 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 -9.071 4.178 12.084 1.00 0.00 H new ATOM 762 N ALA 1 56 -8.061 -1.304 10.640 1.00 0.00 N ATOM 763 CA ALA 1 56 -7.588 -2.477 11.366 1.00 0.00 C ATOM 764 C ALA 1 56 -8.751 -3.381 11.737 1.00 0.00 C ATOM 765 O ALA 1 56 -9.751 -2.928 12.295 1.00 0.00 O ATOM 766 CB ALA 1 56 -6.826 -2.071 12.613 1.00 0.00 C ATOM 0 H ALA 1 56 -7.581 -0.437 10.881 1.00 0.00 H new ATOM 0 HA ALA 1 56 -6.911 -3.026 10.711 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 -6.484 -2.963 13.137 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 -5.966 -1.463 12.332 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 -7.480 -1.494 13.267 1.00 0.00 H new ATOM 772 N GLY 1 57 -8.627 -4.650 11.400 1.00 0.00 N ATOM 773 CA GLY 1 57 -9.693 -5.590 11.680 1.00 0.00 C ATOM 774 C GLY 1 57 -10.278 -6.162 10.407 1.00 0.00 C ATOM 775 O GLY 1 57 -11.028 -7.137 10.443 1.00 0.00 O ATOM 0 H GLY 1 57 -7.810 -5.049 10.938 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -9.311 -6.400 12.302 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -10.477 -5.093 12.250 1.00 0.00 H new ATOM 779 N THR 1 58 -9.918 -5.562 9.273 1.00 0.00 N ATOM 780 CA THR 1 58 -10.392 -6.032 7.980 1.00 0.00 C ATOM 781 C THR 1 58 -9.595 -7.259 7.544 1.00 0.00 C ATOM 782 O THR 1 58 -8.421 -7.150 7.191 1.00 0.00 O ATOM 783 CB THR 1 58 -10.255 -4.932 6.929 1.00 0.00 C ATOM 784 OG1 THR 1 58 -10.970 -3.772 7.318 1.00 0.00 O ATOM 785 CG2 THR 1 58 -10.761 -5.352 5.569 1.00 0.00 C ATOM 0 H THR 1 58 -9.301 -4.751 9.227 1.00 0.00 H new ATOM 0 HA THR 1 58 -11.444 -6.301 8.075 1.00 0.00 H new ATOM 0 HB THR 1 58 -9.187 -4.726 6.857 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -10.481 -3.309 8.030 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -10.637 -4.529 4.865 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -10.195 -6.216 5.221 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -11.817 -5.614 5.639 1.00 0.00 H new ATOM 793 N VAL 1 59 -10.232 -8.424 7.577 1.00 0.00 N ATOM 794 CA VAL 1 59 -9.566 -9.661 7.192 1.00 0.00 C ATOM 795 C VAL 1 59 -9.232 -9.675 5.704 1.00 0.00 C ATOM 796 O VAL 1 59 -10.122 -9.582 4.858 1.00 0.00 O ATOM 797 CB VAL 1 59 -10.430 -10.897 7.520 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -11.737 -10.862 6.742 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -9.662 -12.181 7.232 1.00 0.00 C ATOM 0 H VAL 1 59 -11.204 -8.537 7.865 1.00 0.00 H new ATOM 0 HA VAL 1 59 -8.643 -9.706 7.769 1.00 0.00 H new ATOM 0 HB VAL 1 59 -10.669 -10.875 8.583 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -12.331 -11.742 6.988 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -12.294 -9.963 7.007 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -11.524 -10.855 5.673 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -10.288 -13.041 7.470 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -9.388 -12.212 6.177 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -8.759 -12.210 7.842 1.00 0.00 H new ATOM 809 N CYS 1 60 -7.946 -9.801 5.389 1.00 0.00 N ATOM 810 CA CYS 1 60 -7.506 -9.839 3.995 1.00 0.00 C ATOM 811 C CYS 1 60 -7.015 -11.232 3.606 1.00 0.00 C ATOM 812 O CYS 1 60 -6.979 -11.579 2.426 1.00 0.00 O ATOM 813 CB CYS 1 60 -6.384 -8.829 3.750 1.00 0.00 C ATOM 814 SG CYS 1 60 -6.660 -7.198 4.506 1.00 0.00 S ATOM 0 H CYS 1 60 -7.194 -9.878 6.074 1.00 0.00 H new ATOM 0 HA CYS 1 60 -8.368 -9.581 3.380 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -5.451 -9.241 4.135 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -6.256 -8.700 2.675 1.00 0.00 H new ATOM 819 N ARG 1 61 -6.623 -12.018 4.602 1.00 0.00 N ATOM 820 CA ARG 1 61 -6.116 -13.367 4.358 1.00 0.00 C ATOM 821 C ARG 1 61 -6.349 -14.285 5.558 1.00 0.00 C ATOM 822 O ARG 1 61 -6.724 -13.835 6.640 1.00 0.00 O ATOM 823 CB ARG 1 61 -4.620 -13.314 4.036 1.00 0.00 C ATOM 824 CG ARG 1 61 -4.313 -13.224 2.551 1.00 0.00 C ATOM 825 CD ARG 1 61 -2.871 -13.608 2.258 1.00 0.00 C ATOM 826 NE ARG 1 61 -1.933 -12.957 3.170 1.00 0.00 N ATOM 827 CZ ARG 1 61 -1.450 -11.731 2.991 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -1.818 -11.008 1.940 1.00 0.00 N ATOM 829 NH2 ARG 1 61 -0.599 -11.224 3.871 1.00 0.00 N ATOM 0 H ARG 1 61 -6.646 -11.747 5.585 1.00 0.00 H new ATOM 0 HA ARG 1 61 -6.663 -13.776 3.509 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -4.180 -12.454 4.541 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -4.139 -14.203 4.443 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -4.985 -13.880 1.999 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -4.499 -12.209 2.200 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -2.761 -14.690 2.337 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -2.625 -13.337 1.231 1.00 0.00 H new ATOM 0 HE ARG 1 61 -1.630 -13.475 3.995 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -2.476 -11.392 1.262 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 -1.443 -10.068 1.811 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 -0.316 -11.774 4.682 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 -0.226 -10.284 3.737 1.00 0.00 H new ATOM 843 N ILE 1 62 -6.116 -15.579 5.349 1.00 0.00 N ATOM 844 CA ILE 1 62 -6.284 -16.583 6.393 1.00 0.00 C ATOM 845 C ILE 1 62 -5.423 -17.801 6.087 1.00 0.00 C ATOM 846 O ILE 1 62 -5.543 -18.401 5.019 1.00 0.00 O ATOM 847 CB ILE 1 62 -7.751 -17.053 6.540 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -8.734 -15.900 6.328 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -7.966 -17.681 7.909 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -8.846 -15.460 4.887 1.00 0.00 C ATOM 0 H ILE 1 62 -5.807 -15.958 4.454 1.00 0.00 H new ATOM 0 HA ILE 1 62 -5.980 -16.111 7.327 1.00 0.00 H new ATOM 0 HB ILE 1 62 -7.941 -17.799 5.769 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -9.719 -16.202 6.685 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -8.422 -15.051 6.936 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -9.002 -18.008 8.001 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -7.303 -18.539 8.024 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -7.747 -16.947 8.684 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -9.560 -14.640 4.811 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -7.871 -15.126 4.532 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -9.188 -16.296 4.277 1.00 0.00 H new ATOM 862 N ALA 1 63 -4.551 -18.159 7.022 1.00 0.00 N ATOM 863 CA ALA 1 63 -3.664 -19.307 6.845 1.00 0.00 C ATOM 864 C ALA 1 63 -4.414 -20.509 6.284 1.00 0.00 C ATOM 865 O ALA 1 63 -4.230 -20.882 5.126 1.00 0.00 O ATOM 866 CB ALA 1 63 -2.997 -19.672 8.161 1.00 0.00 C ATOM 0 H ALA 1 63 -4.438 -17.672 7.911 1.00 0.00 H new ATOM 0 HA ALA 1 63 -2.896 -19.024 6.125 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -2.340 -20.529 8.011 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -2.412 -18.825 8.520 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -3.760 -19.924 8.898 1.00 0.00 H new ATOM 872 N ARG 1 64 -5.259 -21.109 7.112 1.00 0.00 N ATOM 873 CA ARG 1 64 -6.039 -22.271 6.695 1.00 0.00 C ATOM 874 C ARG 1 64 -6.933 -22.771 7.828 1.00 0.00 C ATOM 875 O ARG 1 64 -6.713 -23.851 8.377 1.00 0.00 O ATOM 876 CB ARG 1 64 -5.106 -23.394 6.221 1.00 0.00 C ATOM 877 CG ARG 1 64 -5.148 -23.640 4.719 1.00 0.00 C ATOM 878 CD ARG 1 64 -6.575 -23.726 4.204 1.00 0.00 C ATOM 879 NE ARG 1 64 -6.722 -24.739 3.162 1.00 0.00 N ATOM 880 CZ ARG 1 64 -7.878 -25.029 2.568 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -8.988 -24.387 2.911 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -7.924 -25.964 1.629 1.00 0.00 N ATOM 0 H ARG 1 64 -5.423 -20.813 8.074 1.00 0.00 H new ATOM 0 HA ARG 1 64 -6.680 -21.968 5.867 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -4.084 -23.150 6.511 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -5.372 -24.316 6.738 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -4.623 -22.836 4.204 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -4.621 -24.565 4.487 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -7.245 -23.958 5.032 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -6.877 -22.755 3.811 1.00 0.00 H new ATOM 0 HE ARG 1 64 -5.891 -25.254 2.872 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -8.958 -23.667 3.633 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -9.871 -24.613 2.452 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -7.074 -26.461 1.362 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -8.809 -26.186 1.174 1.00 0.00 H new ATOM 896 N GLY 1 65 -7.945 -21.982 8.169 1.00 0.00 N ATOM 897 CA GLY 1 65 -8.855 -22.367 9.230 1.00 0.00 C ATOM 898 C GLY 1 65 -9.392 -21.176 9.997 1.00 0.00 C ATOM 899 O GLY 1 65 -10.148 -20.369 9.455 1.00 0.00 O ATOM 0 H GLY 1 65 -8.151 -21.084 7.731 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -9.688 -22.926 8.804 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -8.341 -23.037 9.919 1.00 0.00 H new ATOM 903 N ASP 1 66 -8.998 -21.066 11.260 1.00 0.00 N ATOM 904 CA ASP 1 66 -9.442 -19.964 12.104 1.00 0.00 C ATOM 905 C ASP 1 66 -8.657 -19.932 13.411 1.00 0.00 C ATOM 906 O ASP 1 66 -9.112 -20.438 14.438 1.00 0.00 O ATOM 907 CB ASP 1 66 -10.938 -20.083 12.393 1.00 0.00 C ATOM 908 CG ASP 1 66 -11.651 -18.747 12.312 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -11.621 -17.997 13.311 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -12.239 -18.451 11.251 1.00 0.00 O ATOM 0 H ASP 1 66 -8.372 -21.726 11.722 1.00 0.00 H new ATOM 0 HA ASP 1 66 -9.259 -19.032 11.569 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -11.389 -20.776 11.682 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -11.081 -20.508 13.387 1.00 0.00 H new ATOM 915 N TRP 1 67 -7.475 -19.334 13.359 1.00 0.00 N ATOM 916 CA TRP 1 67 -6.609 -19.227 14.529 1.00 0.00 C ATOM 917 C TRP 1 67 -6.334 -17.765 14.851 1.00 0.00 C ATOM 918 O TRP 1 67 -6.805 -17.232 15.856 1.00 0.00 O ATOM 919 CB TRP 1 67 -5.288 -19.964 14.276 1.00 0.00 C ATOM 920 CG TRP 1 67 -5.138 -20.447 12.866 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -4.954 -19.683 11.750 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -5.171 -21.804 12.423 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -4.874 -20.484 10.641 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -5.002 -21.791 11.027 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -5.326 -23.028 13.072 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -4.985 -22.956 10.270 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -5.309 -24.187 12.320 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -5.139 -24.144 10.930 1.00 0.00 C ATOM 0 H TRP 1 67 -7.090 -18.912 12.514 1.00 0.00 H new ATOM 0 HA TRP 1 67 -7.114 -19.685 15.379 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -4.458 -19.299 14.515 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -5.220 -20.815 14.953 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -4.882 -18.605 11.742 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -4.741 -20.159 9.683 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -5.457 -23.070 14.143 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -4.855 -22.925 9.198 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -5.429 -25.141 12.811 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -5.129 -25.067 10.369 1.00 0.00 H new ATOM 939 N ASN 1 68 -5.575 -17.127 13.974 1.00 0.00 N ATOM 940 CA ASN 1 68 -5.228 -15.720 14.127 1.00 0.00 C ATOM 941 C ASN 1 68 -5.865 -14.897 13.012 1.00 0.00 C ATOM 942 O ASN 1 68 -6.286 -13.761 13.226 1.00 0.00 O ATOM 943 CB ASN 1 68 -3.708 -15.530 14.111 1.00 0.00 C ATOM 944 CG ASN 1 68 -2.965 -16.681 14.763 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -2.535 -16.587 15.912 1.00 0.00 O ATOM 946 ND2 ASN 1 68 -2.811 -17.777 14.028 1.00 0.00 N ATOM 0 H ASN 1 68 -5.183 -17.565 13.140 1.00 0.00 H new ATOM 0 HA ASN 1 68 -5.610 -15.377 15.088 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -3.371 -15.423 13.080 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -3.457 -14.603 14.626 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -2.320 -18.584 14.412 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -3.184 -17.811 13.079 1.00 0.00 H new ATOM 953 N ASP 1 69 -5.936 -15.489 11.822 1.00 0.00 N ATOM 954 CA ASP 1 69 -6.528 -14.825 10.665 1.00 0.00 C ATOM 955 C ASP 1 69 -5.750 -13.573 10.287 1.00 0.00 C ATOM 956 O ASP 1 69 -5.275 -12.840 11.153 1.00 0.00 O ATOM 957 CB ASP 1 69 -7.978 -14.450 10.956 1.00 0.00 C ATOM 958 CG ASP 1 69 -8.951 -15.544 10.565 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -8.814 -16.673 11.081 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -9.851 -15.272 9.742 1.00 0.00 O ATOM 0 H ASP 1 69 -5.590 -16.430 11.634 1.00 0.00 H new ATOM 0 HA ASP 1 69 -6.490 -15.523 9.829 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -8.088 -14.234 12.019 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -8.228 -13.536 10.417 1.00 0.00 H new ATOM 965 N ASP 1 70 -5.636 -13.325 8.988 1.00 0.00 N ATOM 966 CA ASP 1 70 -4.928 -12.151 8.500 1.00 0.00 C ATOM 967 C ASP 1 70 -5.804 -10.917 8.628 1.00 0.00 C ATOM 968 O ASP 1 70 -6.950 -10.915 8.182 1.00 0.00 O ATOM 969 CB ASP 1 70 -4.511 -12.343 7.044 1.00 0.00 C ATOM 970 CG ASP 1 70 -3.459 -11.350 6.609 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -3.680 -10.137 6.800 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -2.415 -11.784 6.079 1.00 0.00 O ATOM 0 H ASP 1 70 -6.024 -13.920 8.256 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.032 -12.015 9.106 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -4.129 -13.355 6.909 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -5.387 -12.245 6.402 1.00 0.00 H new ATOM 977 N TYR 1 71 -5.273 -9.875 9.257 1.00 0.00 N ATOM 978 CA TYR 1 71 -6.042 -8.658 9.456 1.00 0.00 C ATOM 979 C TYR 1 71 -5.233 -7.397 9.223 1.00 0.00 C ATOM 980 O TYR 1 71 -4.063 -7.309 9.594 1.00 0.00 O ATOM 981 CB TYR 1 71 -6.605 -8.640 10.866 1.00 0.00 C ATOM 982 CG TYR 1 71 -7.846 -9.469 10.999 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -9.050 -8.999 10.515 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -7.813 -10.717 11.595 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -10.200 -9.745 10.619 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -8.956 -11.479 11.705 1.00 0.00 C ATOM 987 CZ TYR 1 71 -10.152 -10.990 11.215 1.00 0.00 C ATOM 988 OH TYR 1 71 -11.298 -11.744 11.323 1.00 0.00 O ATOM 0 H TYR 1 71 -4.325 -9.850 9.633 1.00 0.00 H new ATOM 0 HA TYR 1 71 -6.843 -8.665 8.717 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -5.850 -9.009 11.560 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -6.826 -7.612 11.152 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -9.089 -8.027 10.046 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -6.879 -11.099 11.979 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -11.134 -9.360 10.237 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -8.917 -12.452 12.171 1.00 0.00 H new ATOM 0 HH TYR 1 71 -11.090 -12.593 11.766 1.00 0.00 H new ATOM 998 N CYS 1 72 -5.888 -6.413 8.622 1.00 0.00 N ATOM 999 CA CYS 1 72 -5.262 -5.131 8.347 1.00 0.00 C ATOM 1000 C CYS 1 72 -4.969 -4.398 9.650 1.00 0.00 C ATOM 1001 O CYS 1 72 -5.519 -4.737 10.698 1.00 0.00 O ATOM 1002 CB CYS 1 72 -6.169 -4.282 7.458 1.00 0.00 C ATOM 1003 SG CYS 1 72 -5.311 -2.910 6.624 1.00 0.00 S ATOM 0 H CYS 1 72 -6.858 -6.481 8.315 1.00 0.00 H new ATOM 0 HA CYS 1 72 -4.322 -5.306 7.824 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -6.626 -4.923 6.704 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 -6.979 -3.876 8.064 1.00 0.00 H new ATOM 1008 N THR 1 73 -4.098 -3.399 9.583 1.00 0.00 N ATOM 1009 CA THR 1 73 -3.733 -2.629 10.767 1.00 0.00 C ATOM 1010 C THR 1 73 -4.021 -1.140 10.578 1.00 0.00 C ATOM 1011 O THR 1 73 -3.683 -0.323 11.434 1.00 0.00 O ATOM 1012 CB THR 1 73 -2.253 -2.840 11.093 1.00 0.00 C ATOM 1013 OG1 THR 1 73 -1.439 -1.974 10.320 1.00 0.00 O ATOM 1014 CG2 THR 1 73 -1.783 -4.257 10.841 1.00 0.00 C ATOM 0 H THR 1 73 -3.632 -3.103 8.725 1.00 0.00 H new ATOM 0 HA THR 1 73 -4.342 -2.984 11.599 1.00 0.00 H new ATOM 0 HB THR 1 73 -2.158 -2.625 12.157 1.00 0.00 H new ATOM 0 HG1 THR 1 73 -0.497 -2.123 10.545 1.00 0.00 H new ATOM 0 HG21 THR 1 73 -0.725 -4.340 11.092 1.00 0.00 H new ATOM 0 HG22 THR 1 73 -2.358 -4.946 11.460 1.00 0.00 H new ATOM 0 HG23 THR 1 73 -1.927 -4.507 9.790 1.00 0.00 H new ATOM 1022 N GLY 1 74 -4.647 -0.790 9.456 1.00 0.00 N ATOM 1023 CA GLY 1 74 -4.966 0.600 9.186 1.00 0.00 C ATOM 1024 C GLY 1 74 -3.747 1.501 9.238 1.00 0.00 C ATOM 1025 O GLY 1 74 -3.867 2.702 9.483 1.00 0.00 O ATOM 0 H GLY 1 74 -4.938 -1.445 8.730 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 -5.429 0.678 8.202 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 -5.701 0.948 9.912 1.00 0.00 H new ATOM 1029 N LYS 1 75 -2.572 0.924 9.009 1.00 0.00 N ATOM 1030 CA LYS 1 75 -1.330 1.689 9.033 1.00 0.00 C ATOM 1031 C LYS 1 75 -0.368 1.227 7.941 1.00 0.00 C ATOM 1032 O LYS 1 75 0.821 1.544 7.979 1.00 0.00 O ATOM 1033 CB LYS 1 75 -0.658 1.564 10.402 1.00 0.00 C ATOM 1034 CG LYS 1 75 -1.572 1.918 11.564 1.00 0.00 C ATOM 1035 CD LYS 1 75 -0.823 2.666 12.655 1.00 0.00 C ATOM 1036 CE LYS 1 75 -1.711 2.926 13.861 1.00 0.00 C ATOM 1037 NZ LYS 1 75 -3.052 3.436 13.465 1.00 0.00 N ATOM 0 H LYS 1 75 -2.453 -0.068 8.805 1.00 0.00 H new ATOM 0 HA LYS 1 75 -1.580 2.733 8.846 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 -0.301 0.542 10.530 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 0.217 2.213 10.428 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 -2.399 2.530 11.204 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 -2.005 1.007 11.978 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 0.049 2.088 12.961 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 -0.455 3.614 12.261 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 -1.827 2.004 14.431 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 -1.228 3.649 14.518 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 -3.537 3.822 14.300 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 -2.942 4.185 12.752 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 -3.615 2.658 13.066 1.00 0.00 H new ATOM 1051 N SER 1 76 -0.881 0.479 6.967 1.00 0.00 N ATOM 1052 CA SER 1 76 -0.052 -0.014 5.873 1.00 0.00 C ATOM 1053 C SER 1 76 -0.888 -0.759 4.837 1.00 0.00 C ATOM 1054 O SER 1 76 -2.017 -1.167 5.109 1.00 0.00 O ATOM 1055 CB SER 1 76 1.045 -0.933 6.414 1.00 0.00 C ATOM 1056 OG SER 1 76 2.193 -0.192 6.790 1.00 0.00 O ATOM 0 H SER 1 76 -1.861 0.203 6.914 1.00 0.00 H new ATOM 0 HA SER 1 76 0.406 0.847 5.386 1.00 0.00 H new ATOM 0 HB2 SER 1 76 0.668 -1.487 7.274 1.00 0.00 H new ATOM 0 HB3 SER 1 76 1.315 -1.668 5.655 1.00 0.00 H new ATOM 0 HG SER 1 76 1.990 0.346 7.584 1.00 0.00 H new ATOM 1062 N SER 1 77 -0.319 -0.936 3.647 1.00 0.00 N ATOM 1063 CA SER 1 77 -1.000 -1.635 2.560 1.00 0.00 C ATOM 1064 C SER 1 77 -0.754 -3.141 2.633 1.00 0.00 C ATOM 1065 O SER 1 77 -1.053 -3.871 1.688 1.00 0.00 O ATOM 1066 CB SER 1 77 -0.526 -1.100 1.205 1.00 0.00 C ATOM 1067 OG SER 1 77 0.241 0.081 1.360 1.00 0.00 O ATOM 0 H SER 1 77 0.616 -0.603 3.410 1.00 0.00 H new ATOM 0 HA SER 1 77 -2.070 -1.454 2.666 1.00 0.00 H new ATOM 0 HB2 SER 1 77 0.070 -1.860 0.699 1.00 0.00 H new ATOM 0 HB3 SER 1 77 -1.388 -0.896 0.570 1.00 0.00 H new ATOM 0 HG SER 1 77 -0.139 0.626 2.081 1.00 0.00 H new ATOM 1073 N ASP 1 78 -0.203 -3.601 3.754 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.086 -5.018 3.931 1.00 0.00 C ATOM 1075 C ASP 1 78 -0.747 -5.618 5.059 1.00 0.00 C ATOM 1076 O ASP 1 78 -0.672 -5.178 6.206 1.00 0.00 O ATOM 1077 CB ASP 1 78 1.574 -5.223 4.220 1.00 0.00 C ATOM 1078 CG ASP 1 78 2.067 -4.354 5.360 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 1.746 -4.666 6.526 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 2.773 -3.360 5.087 1.00 0.00 O ATOM 0 H ASP 1 78 0.051 -3.014 4.549 1.00 0.00 H new ATOM 0 HA ASP 1 78 -0.176 -5.529 3.005 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 1.753 -6.271 4.462 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 2.150 -5.000 3.322 1.00 0.00 H new ATOM 1085 N CYS 1 79 -1.533 -6.633 4.720 1.00 0.00 N ATOM 1086 CA CYS 1 79 -2.378 -7.315 5.691 1.00 0.00 C ATOM 1087 C CYS 1 79 -1.660 -8.552 6.237 1.00 0.00 C ATOM 1088 O CYS 1 79 -1.556 -9.565 5.549 1.00 0.00 O ATOM 1089 CB CYS 1 79 -3.703 -7.717 5.036 1.00 0.00 C ATOM 1090 SG CYS 1 79 -5.173 -7.050 5.879 1.00 0.00 S ATOM 0 H CYS 1 79 -1.602 -7.004 3.772 1.00 0.00 H new ATOM 0 HA CYS 1 79 -2.585 -6.638 6.520 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -3.704 -7.376 4.001 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.771 -8.805 5.014 1.00 0.00 H new ATOM 1095 N PRO 1 80 -1.139 -8.483 7.476 1.00 0.00 N ATOM 1096 CA PRO 1 80 -0.413 -9.602 8.097 1.00 0.00 C ATOM 1097 C PRO 1 80 -1.321 -10.760 8.515 1.00 0.00 C ATOM 1098 O PRO 1 80 -2.362 -10.554 9.137 1.00 0.00 O ATOM 1099 CB PRO 1 80 0.224 -8.959 9.331 1.00 0.00 C ATOM 1100 CG PRO 1 80 -0.682 -7.829 9.674 1.00 0.00 C ATOM 1101 CD PRO 1 80 -1.196 -7.304 8.363 1.00 0.00 C ATOM 0 HA PRO 1 80 0.297 -10.050 7.401 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 0.300 -9.670 10.154 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 1.234 -8.607 9.119 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -1.502 -8.164 10.309 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 -0.149 -7.053 10.224 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 -2.212 -6.919 8.455 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 -0.579 -6.488 7.987 1.00 0.00 H new ATOM 1109 N TRP 1 81 -0.903 -11.984 8.175 1.00 0.00 N ATOM 1110 CA TRP 1 81 -1.663 -13.197 8.521 1.00 0.00 C ATOM 1111 C TRP 1 81 -2.085 -13.178 9.986 1.00 0.00 C ATOM 1112 O TRP 1 81 -3.078 -13.795 10.368 1.00 0.00 O ATOM 1113 CB TRP 1 81 -0.837 -14.473 8.285 1.00 0.00 C ATOM 1114 CG TRP 1 81 0.395 -14.285 7.454 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 1.606 -13.808 7.865 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 0.530 -14.588 6.070 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 2.486 -13.793 6.809 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 1.845 -14.269 5.695 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -0.342 -15.097 5.114 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 2.310 -14.447 4.397 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 0.117 -15.275 3.822 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 1.434 -14.951 3.474 1.00 0.00 C ATOM 0 H TRP 1 81 -0.041 -12.164 7.660 1.00 0.00 H new ATOM 0 HA TRP 1 81 -2.540 -13.204 7.874 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -0.546 -14.883 9.252 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -1.473 -15.215 7.802 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 1.838 -13.490 8.871 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 3.456 -13.479 6.848 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -1.359 -15.349 5.376 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 3.325 -14.197 4.127 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 -0.550 -15.670 3.070 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 1.765 -15.102 2.457 1.00 0.00 H new ATOM 1133 N ASN 1 82 -1.293 -12.491 10.798 1.00 0.00 N ATOM 1134 CA ASN 1 82 -1.529 -12.394 12.237 1.00 0.00 C ATOM 1135 C ASN 1 82 -0.942 -13.611 12.945 1.00 0.00 C ATOM 1136 O ASN 1 82 -1.422 -14.023 14.001 1.00 0.00 O ATOM 1137 CB ASN 1 82 -3.024 -12.275 12.548 1.00 0.00 C ATOM 1138 CG ASN 1 82 -3.285 -11.683 13.919 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -2.614 -12.024 14.893 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -4.264 -10.790 14.002 1.00 0.00 N ATOM 0 H ASN 1 82 -0.467 -11.984 10.480 1.00 0.00 H new ATOM 0 HA ASN 1 82 -1.036 -11.492 12.601 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -3.501 -11.654 11.790 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -3.484 -13.261 12.488 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -4.485 -10.357 14.899 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -4.795 -10.536 13.169 1.00 0.00 H new ATOM 1147 N HIS 1 83 0.099 -14.184 12.347 1.00 0.00 N ATOM 1148 CA HIS 1 83 0.759 -15.358 12.903 1.00 0.00 C ATOM 1149 C HIS 1 83 2.054 -14.972 13.612 1.00 0.00 C ATOM 1150 O HIS 1 83 2.438 -15.681 14.566 1.00 0.00 O ATOM 1151 CB HIS 1 83 1.051 -16.367 11.790 1.00 0.00 C ATOM 1152 CG HIS 1 83 -0.157 -16.723 10.983 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -0.095 -17.096 9.657 1.00 0.00 N ATOM 1154 CD2 HIS 1 83 -1.469 -16.751 11.318 1.00 0.00 C ATOM 1155 CE1 HIS 1 83 -1.316 -17.336 9.212 1.00 0.00 C ATOM 1156 NE2 HIS 1 83 -2.167 -17.135 10.201 1.00 0.00 N ATOM 1157 OXT HIS 1 83 2.672 -13.966 13.207 1.00 0.00 O ATOM 0 H HIS 1 83 0.504 -13.851 11.472 1.00 0.00 H new ATOM 0 HA HIS 1 83 0.092 -15.812 13.636 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 1.814 -15.957 11.128 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 1.465 -17.274 12.231 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -1.888 -16.515 12.285 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -1.574 -17.644 8.210 1.00 0.00 H new ATOM 0 HE2 HIS 1 83 -3.179 -17.247 10.144 1.00 0.00 H new TER 1166 HIS 1 83