USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=16 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= -3.12! K(o=-9.2!,f=-6.2) USER MOD Set 1.2: 1 83 HIS : no HE2:sc= -6.11 K(o=-9.2,f=-10!) USER MOD Single : 1 1 SER N :NH3+ -149:sc= 0.153 (180deg=-0.274) USER MOD Single : 1 1 SER OG : rot 54:sc= 0.0998 USER MOD Single : 1 7 ASN : amide:sc= -2.84 K(o=-2.8,f=-7.7!) USER MOD Single : 1 8 LYS NZ :NH3+ -156:sc= -0.0324 (180deg=-0.328) USER MOD Single : 1 12 GLN : amide:sc= -1.97 K(o=-2,f=-3) USER MOD Single : 1 20 SER OG : rot 180:sc= 0 USER MOD Single : 1 23 ASN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : 1 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 30 ASN : amide:sc= -5.85! K(o=-5.8!,f=-0.81) USER MOD Single : 1 33 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 35 LYS NZ :NH3+ -109:sc= 0 (180deg=-0.225) USER MOD Single : 1 37 THR OG1 : rot -165:sc= 1.27 USER MOD Single : 1 40 SER OG : rot -125:sc= -0.335 USER MOD Single : 1 41 GLN : amide:sc= 0 X(o=0,f=0.0012) USER MOD Single : 1 43 ASN : amide:sc= -2.2 X(o=-2.2,f=-1.8) USER MOD Single : 1 44 TYR OH : rot 180:sc= 0 USER MOD Single : 1 50 GLN : amide:sc= -0.417 X(o=-0.42,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 75:sc= 0.8 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+ 151:sc= -0.392 (180deg=-1.37!) USER MOD Single : 1 76 SER OG : rot -100:sc= -0.0558 USER MOD Single : 1 77 SER OG : rot -64:sc= 0.282 USER MOD Single : 1 82 ASN : amide:sc= -0.0865 K(o=-0.087,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER 1 1 19.349 2.346 -12.429 1.00 0.00 N ATOM 2 CA SER 1 1 18.690 2.127 -11.115 1.00 0.00 C ATOM 3 C SER 1 1 17.174 2.279 -11.226 1.00 0.00 C ATOM 4 O SER 1 1 16.624 3.335 -10.916 1.00 0.00 O ATOM 5 CB SER 1 1 19.250 3.140 -10.115 1.00 0.00 C ATOM 6 OG SER 1 1 19.361 4.426 -10.698 1.00 0.00 O ATOM 0 H1 SER 1 1 20.211 1.767 -12.486 1.00 0.00 H new ATOM 0 H2 SER 1 1 18.698 2.074 -13.193 1.00 0.00 H new ATOM 0 H3 SER 1 1 19.600 3.350 -12.529 1.00 0.00 H new ATOM 0 HA SER 1 1 18.894 1.111 -10.776 1.00 0.00 H new ATOM 0 HB2 SER 1 1 18.601 3.189 -9.241 1.00 0.00 H new ATOM 0 HB3 SER 1 1 20.229 2.809 -9.768 1.00 0.00 H new ATOM 0 HG SER 1 1 18.496 4.689 -11.077 1.00 0.00 H new ATOM 14 N PRO 1 2 16.478 1.219 -11.672 1.00 0.00 N ATOM 15 CA PRO 1 2 15.020 1.239 -11.822 1.00 0.00 C ATOM 16 C PRO 1 2 14.302 1.742 -10.569 1.00 0.00 C ATOM 17 O PRO 1 2 13.364 2.534 -10.664 1.00 0.00 O ATOM 18 CB PRO 1 2 14.668 -0.225 -12.093 1.00 0.00 C ATOM 19 CG PRO 1 2 15.900 -0.807 -12.695 1.00 0.00 C ATOM 20 CD PRO 1 2 17.058 -0.080 -12.064 1.00 0.00 C ATOM 0 HA PRO 1 2 14.707 1.921 -12.613 1.00 0.00 H new ATOM 0 HB2 PRO 1 2 14.394 -0.743 -11.174 1.00 0.00 H new ATOM 0 HB3 PRO 1 2 13.819 -0.309 -12.771 1.00 0.00 H new ATOM 0 HG2 PRO 1 2 15.960 -1.878 -12.501 1.00 0.00 H new ATOM 0 HG3 PRO 1 2 15.903 -0.679 -13.777 1.00 0.00 H new ATOM 0 HD2 PRO 1 2 17.450 -0.621 -11.203 1.00 0.00 H new ATOM 0 HD3 PRO 1 2 17.884 0.044 -12.765 1.00 0.00 H new ATOM 28 N PRO 1 3 14.726 1.290 -9.371 1.00 0.00 N ATOM 29 CA PRO 1 3 14.109 1.702 -8.102 1.00 0.00 C ATOM 30 C PRO 1 3 14.380 3.170 -7.764 1.00 0.00 C ATOM 31 O PRO 1 3 14.872 3.487 -6.681 1.00 0.00 O ATOM 32 CB PRO 1 3 14.771 0.785 -7.059 1.00 0.00 C ATOM 33 CG PRO 1 3 15.463 -0.280 -7.839 1.00 0.00 C ATOM 34 CD PRO 1 3 15.826 0.342 -9.151 1.00 0.00 C ATOM 0 HA PRO 1 3 13.023 1.614 -8.140 1.00 0.00 H new ATOM 0 HB2 PRO 1 3 15.478 1.340 -6.442 1.00 0.00 H new ATOM 0 HB3 PRO 1 3 14.028 0.357 -6.386 1.00 0.00 H new ATOM 0 HG2 PRO 1 3 16.351 -0.633 -7.315 1.00 0.00 H new ATOM 0 HG3 PRO 1 3 14.813 -1.143 -7.983 1.00 0.00 H new ATOM 0 HD2 PRO 1 3 16.792 0.845 -9.108 1.00 0.00 H new ATOM 0 HD3 PRO 1 3 15.888 -0.399 -9.948 1.00 0.00 H new ATOM 42 N VAL 1 4 14.057 4.061 -8.697 1.00 0.00 N ATOM 43 CA VAL 1 4 14.264 5.492 -8.502 1.00 0.00 C ATOM 44 C VAL 1 4 12.956 6.265 -8.602 1.00 0.00 C ATOM 45 O VAL 1 4 12.038 5.859 -9.314 1.00 0.00 O ATOM 46 CB VAL 1 4 15.260 6.070 -9.525 1.00 0.00 C ATOM 47 CG1 VAL 1 4 16.687 5.701 -9.152 1.00 0.00 C ATOM 48 CG2 VAL 1 4 14.928 5.594 -10.930 1.00 0.00 C ATOM 0 H VAL 1 4 13.649 3.815 -9.599 1.00 0.00 H new ATOM 0 HA VAL 1 4 14.676 5.606 -7.499 1.00 0.00 H new ATOM 0 HB VAL 1 4 15.174 7.156 -9.508 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 17.375 6.119 -9.887 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 16.921 6.103 -8.166 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 16.790 4.616 -9.135 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 15.644 6.015 -11.636 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 14.979 4.506 -10.967 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 13.922 5.920 -11.196 1.00 0.00 H new ATOM 58 N CYS 1 5 12.884 7.394 -7.904 1.00 0.00 N ATOM 59 CA CYS 1 5 11.693 8.230 -7.944 1.00 0.00 C ATOM 60 C CYS 1 5 11.725 9.058 -9.218 1.00 0.00 C ATOM 61 O CYS 1 5 12.239 10.176 -9.243 1.00 0.00 O ATOM 62 CB CYS 1 5 11.627 9.142 -6.715 1.00 0.00 C ATOM 63 SG CYS 1 5 10.308 8.711 -5.534 1.00 0.00 S ATOM 0 H CYS 1 5 13.632 7.748 -7.308 1.00 0.00 H new ATOM 0 HA CYS 1 5 10.805 7.599 -7.935 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 12.587 9.107 -6.199 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 11.480 10.170 -7.047 1.00 0.00 H new ATOM 68 N GLY 1 6 11.196 8.471 -10.282 1.00 0.00 N ATOM 69 CA GLY 1 6 11.185 9.120 -11.574 1.00 0.00 C ATOM 70 C GLY 1 6 11.381 8.118 -12.696 1.00 0.00 C ATOM 71 O GLY 1 6 11.863 8.460 -13.776 1.00 0.00 O ATOM 0 H GLY 1 6 10.769 7.545 -10.270 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 10.239 9.644 -11.712 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 11.974 9.871 -11.613 1.00 0.00 H new ATOM 75 N ASN 1 7 10.991 6.874 -12.430 1.00 0.00 N ATOM 76 CA ASN 1 7 11.097 5.791 -13.395 1.00 0.00 C ATOM 77 C ASN 1 7 9.747 5.103 -13.528 1.00 0.00 C ATOM 78 O ASN 1 7 9.639 4.014 -14.090 1.00 0.00 O ATOM 79 CB ASN 1 7 12.154 4.777 -12.941 1.00 0.00 C ATOM 80 CG ASN 1 7 12.549 3.817 -14.046 1.00 0.00 C ATOM 81 OD1 ASN 1 7 11.822 2.874 -14.356 1.00 0.00 O ATOM 82 ND2 ASN 1 7 13.710 4.053 -14.647 1.00 0.00 N ATOM 0 H ASN 1 7 10.592 6.591 -11.535 1.00 0.00 H new ATOM 0 HA ASN 1 7 11.397 6.199 -14.360 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 13.039 5.310 -12.594 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 11.769 4.211 -12.093 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 14.030 3.440 -15.397 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 14.282 4.847 -14.358 1.00 0.00 H new ATOM 89 N LYS 1 8 8.725 5.750 -12.970 1.00 0.00 N ATOM 90 CA LYS 1 8 7.368 5.231 -12.972 1.00 0.00 C ATOM 91 C LYS 1 8 7.216 4.159 -11.899 1.00 0.00 C ATOM 92 O LYS 1 8 6.185 3.492 -11.804 1.00 0.00 O ATOM 93 CB LYS 1 8 6.969 4.688 -14.348 1.00 0.00 C ATOM 94 CG LYS 1 8 7.080 5.718 -15.461 1.00 0.00 C ATOM 95 CD LYS 1 8 8.426 5.641 -16.162 1.00 0.00 C ATOM 96 CE LYS 1 8 8.309 5.998 -17.635 1.00 0.00 C ATOM 97 NZ LYS 1 8 7.545 4.971 -18.396 1.00 0.00 N ATOM 0 H LYS 1 8 8.821 6.652 -12.503 1.00 0.00 H new ATOM 0 HA LYS 1 8 6.692 6.056 -12.745 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 7.601 3.833 -14.590 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 5.943 4.323 -14.302 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 6.282 5.559 -16.186 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 6.941 6.717 -15.048 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 9.129 6.318 -15.677 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 8.832 4.635 -16.062 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 7.817 6.965 -17.736 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 9.306 6.101 -18.064 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 7.816 5.010 -19.399 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 7.759 4.027 -18.016 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 6.526 5.158 -18.305 1.00 0.00 H new ATOM 111 N ILE 1 9 8.249 4.032 -11.074 1.00 0.00 N ATOM 112 CA ILE 1 9 8.258 3.089 -9.977 1.00 0.00 C ATOM 113 C ILE 1 9 8.292 3.865 -8.674 1.00 0.00 C ATOM 114 O ILE 1 9 8.821 4.975 -8.623 1.00 0.00 O ATOM 115 CB ILE 1 9 9.481 2.147 -10.040 1.00 0.00 C ATOM 116 CG1 ILE 1 9 9.417 1.269 -11.291 1.00 0.00 C ATOM 117 CG2 ILE 1 9 9.564 1.285 -8.786 1.00 0.00 C ATOM 118 CD1 ILE 1 9 10.425 1.654 -12.350 1.00 0.00 C ATOM 0 H ILE 1 9 9.103 4.584 -11.153 1.00 0.00 H new ATOM 0 HA ILE 1 9 7.361 2.474 -10.044 1.00 0.00 H new ATOM 0 HB ILE 1 9 10.381 2.759 -10.093 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 9.581 0.230 -11.005 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 8.415 1.328 -11.716 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 10.432 0.630 -8.852 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 9.659 1.926 -7.909 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 8.660 0.682 -8.698 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 10.323 0.990 -13.208 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 10.248 2.683 -12.664 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 11.432 1.568 -11.942 1.00 0.00 H new ATOM 130 N LEU 1 10 7.740 3.288 -7.626 1.00 0.00 N ATOM 131 CA LEU 1 10 7.726 3.948 -6.328 1.00 0.00 C ATOM 132 C LEU 1 10 9.114 3.915 -5.706 1.00 0.00 C ATOM 133 O LEU 1 10 9.289 3.451 -4.579 1.00 0.00 O ATOM 134 CB LEU 1 10 6.708 3.294 -5.391 1.00 0.00 C ATOM 135 CG LEU 1 10 6.405 1.827 -5.679 1.00 0.00 C ATOM 136 CD1 LEU 1 10 5.982 1.119 -4.406 1.00 0.00 C ATOM 137 CD2 LEU 1 10 5.332 1.714 -6.752 1.00 0.00 C ATOM 0 H LEU 1 10 7.297 2.369 -7.643 1.00 0.00 H new ATOM 0 HA LEU 1 10 7.430 4.986 -6.477 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 7.074 3.378 -4.368 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 5.776 3.857 -5.443 1.00 0.00 H new ATOM 0 HG LEU 1 10 7.308 1.343 -6.050 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 5.769 0.073 -4.625 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 6.785 1.179 -3.672 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 5.087 1.595 -4.005 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 5.124 0.662 -6.949 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 4.422 2.206 -6.409 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 5.681 2.193 -7.667 1.00 0.00 H new ATOM 149 N GLU 1 11 10.101 4.412 -6.459 1.00 0.00 N ATOM 150 CA GLU 1 11 11.488 4.449 -6.010 1.00 0.00 C ATOM 151 C GLU 1 11 11.794 3.301 -5.059 1.00 0.00 C ATOM 152 O GLU 1 11 11.853 3.482 -3.843 1.00 0.00 O ATOM 153 CB GLU 1 11 11.783 5.785 -5.339 1.00 0.00 C ATOM 154 CG GLU 1 11 13.181 5.879 -4.752 1.00 0.00 C ATOM 155 CD GLU 1 11 13.343 7.051 -3.804 1.00 0.00 C ATOM 156 OE1 GLU 1 11 13.253 8.207 -4.268 1.00 0.00 O ATOM 157 OE2 GLU 1 11 13.559 6.813 -2.597 1.00 0.00 O ATOM 0 H GLU 1 11 9.957 4.797 -7.392 1.00 0.00 H new ATOM 0 HA GLU 1 11 12.130 4.337 -6.884 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 11.650 6.585 -6.068 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 11.054 5.952 -4.546 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 13.410 4.955 -4.222 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 13.905 5.970 -5.562 1.00 0.00 H new ATOM 164 N GLN 1 12 11.974 2.119 -5.623 1.00 0.00 N ATOM 165 CA GLN 1 12 12.263 0.934 -4.826 1.00 0.00 C ATOM 166 C GLN 1 12 11.099 0.600 -3.892 1.00 0.00 C ATOM 167 O GLN 1 12 10.231 -0.202 -4.233 1.00 0.00 O ATOM 168 CB GLN 1 12 13.556 1.129 -4.023 1.00 0.00 C ATOM 169 CG GLN 1 12 13.903 -0.052 -3.130 1.00 0.00 C ATOM 170 CD GLN 1 12 13.552 0.195 -1.676 1.00 0.00 C ATOM 171 OE1 GLN 1 12 12.691 -0.479 -1.110 1.00 0.00 O ATOM 172 NE2 GLN 1 12 14.218 1.167 -1.063 1.00 0.00 N ATOM 0 H GLN 1 12 11.926 1.952 -6.628 1.00 0.00 H new ATOM 0 HA GLN 1 12 12.399 0.095 -5.508 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 14.380 1.305 -4.714 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 13.460 2.023 -3.407 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 13.374 -0.937 -3.483 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 14.969 -0.264 -3.212 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 14.924 1.701 -1.571 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 14.024 1.380 -0.085 1.00 0.00 H new ATOM 181 N GLY 1 13 11.087 1.219 -2.715 1.00 0.00 N ATOM 182 CA GLY 1 13 10.025 0.973 -1.756 1.00 0.00 C ATOM 183 C GLY 1 13 9.526 2.251 -1.112 1.00 0.00 C ATOM 184 O GLY 1 13 9.031 2.236 0.015 1.00 0.00 O ATOM 0 H GLY 1 13 11.794 1.887 -2.408 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 9.196 0.472 -2.256 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 10.387 0.296 -0.982 1.00 0.00 H new ATOM 188 N GLU 1 14 9.660 3.358 -1.833 1.00 0.00 N ATOM 189 CA GLU 1 14 9.225 4.659 -1.339 1.00 0.00 C ATOM 190 C GLU 1 14 7.744 4.625 -0.956 1.00 0.00 C ATOM 191 O GLU 1 14 7.340 5.212 0.048 1.00 0.00 O ATOM 192 CB GLU 1 14 9.506 5.720 -2.396 1.00 0.00 C ATOM 193 CG GLU 1 14 10.877 6.357 -2.243 1.00 0.00 C ATOM 194 CD GLU 1 14 11.077 6.992 -0.881 1.00 0.00 C ATOM 195 OE1 GLU 1 14 10.109 7.574 -0.349 1.00 0.00 O ATOM 196 OE2 GLU 1 14 12.203 6.907 -0.347 1.00 0.00 O ATOM 0 H GLU 1 14 10.069 3.380 -2.767 1.00 0.00 H new ATOM 0 HA GLU 1 14 9.784 4.910 -0.438 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 9.428 5.270 -3.386 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 8.742 6.495 -2.338 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 11.645 5.600 -2.403 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 11.010 7.114 -3.016 1.00 0.00 H new ATOM 203 N ASP 1 15 6.959 3.895 -1.750 1.00 0.00 N ATOM 204 CA ASP 1 15 5.519 3.706 -1.517 1.00 0.00 C ATOM 205 C ASP 1 15 4.649 4.731 -2.238 1.00 0.00 C ATOM 206 O ASP 1 15 3.542 5.013 -1.786 1.00 0.00 O ATOM 207 CB ASP 1 15 5.190 3.719 -0.019 1.00 0.00 C ATOM 208 CG ASP 1 15 6.136 2.855 0.792 1.00 0.00 C ATOM 209 OD1 ASP 1 15 6.475 1.747 0.326 1.00 0.00 O ATOM 210 OD2 ASP 1 15 6.539 3.287 1.893 1.00 0.00 O ATOM 0 H ASP 1 15 7.304 3.413 -2.580 1.00 0.00 H new ATOM 0 HA ASP 1 15 5.284 2.727 -1.935 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 5.233 4.744 0.350 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 4.168 3.370 0.128 1.00 0.00 H new ATOM 215 N CYS 1 16 5.133 5.258 -3.370 1.00 0.00 N ATOM 216 CA CYS 1 16 4.372 6.231 -4.174 1.00 0.00 C ATOM 217 C CYS 1 16 5.297 7.148 -4.965 1.00 0.00 C ATOM 218 O CYS 1 16 6.055 7.928 -4.391 1.00 0.00 O ATOM 219 CB CYS 1 16 3.437 7.078 -3.305 1.00 0.00 C ATOM 220 SG CYS 1 16 1.705 6.496 -3.263 1.00 0.00 S ATOM 0 H CYS 1 16 6.050 5.028 -3.753 1.00 0.00 H new ATOM 0 HA CYS 1 16 3.769 5.650 -4.872 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 3.825 7.096 -2.287 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 3.453 8.105 -3.671 1.00 0.00 H new ATOM 225 N ASP 1 17 5.219 7.053 -6.291 1.00 0.00 N ATOM 226 CA ASP 1 17 6.041 7.883 -7.166 1.00 0.00 C ATOM 227 C ASP 1 17 5.491 7.909 -8.589 1.00 0.00 C ATOM 228 O ASP 1 17 4.718 7.038 -8.988 1.00 0.00 O ATOM 229 CB ASP 1 17 7.482 7.373 -7.193 1.00 0.00 C ATOM 230 CG ASP 1 17 8.388 8.255 -8.030 1.00 0.00 C ATOM 231 OD1 ASP 1 17 8.545 9.444 -7.684 1.00 0.00 O ATOM 232 OD2 ASP 1 17 8.935 7.756 -9.036 1.00 0.00 O ATOM 0 H ASP 1 17 4.596 6.411 -6.781 1.00 0.00 H new ATOM 0 HA ASP 1 17 6.019 8.896 -6.765 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 7.867 7.323 -6.174 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 7.499 6.358 -7.590 1.00 0.00 H new ATOM 237 N CYS 1 18 5.919 8.909 -9.351 1.00 0.00 N ATOM 238 CA CYS 1 18 5.505 9.059 -10.741 1.00 0.00 C ATOM 239 C CYS 1 18 6.712 9.417 -11.604 1.00 0.00 C ATOM 240 O CYS 1 18 7.724 9.898 -11.094 1.00 0.00 O ATOM 241 CB CYS 1 18 4.418 10.134 -10.894 1.00 0.00 C ATOM 242 SG CYS 1 18 3.963 11.009 -9.359 1.00 0.00 S ATOM 0 H CYS 1 18 6.558 9.634 -9.026 1.00 0.00 H new ATOM 0 HA CYS 1 18 5.085 8.109 -11.071 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 4.757 10.869 -11.624 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 3.523 9.666 -11.305 1.00 0.00 H new ATOM 247 N GLY 1 19 6.602 9.181 -12.908 1.00 0.00 N ATOM 248 CA GLY 1 19 7.696 9.486 -13.817 1.00 0.00 C ATOM 249 C GLY 1 19 8.316 10.848 -13.555 1.00 0.00 C ATOM 250 O GLY 1 19 9.507 10.949 -13.261 1.00 0.00 O ATOM 0 H GLY 1 19 5.775 8.784 -13.353 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 8.464 8.718 -13.724 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 7.331 9.449 -14.843 1.00 0.00 H new ATOM 254 N SER 1 20 7.507 11.896 -13.660 1.00 0.00 N ATOM 255 CA SER 1 20 7.985 13.255 -13.428 1.00 0.00 C ATOM 256 C SER 1 20 6.960 14.066 -12.635 1.00 0.00 C ATOM 257 O SER 1 20 5.763 13.989 -12.902 1.00 0.00 O ATOM 258 CB SER 1 20 8.279 13.948 -14.759 1.00 0.00 C ATOM 259 OG SER 1 20 9.408 14.799 -14.653 1.00 0.00 O ATOM 0 H SER 1 20 6.519 11.832 -13.904 1.00 0.00 H new ATOM 0 HA SER 1 20 8.904 13.195 -12.845 1.00 0.00 H new ATOM 0 HB2 SER 1 20 8.455 13.199 -15.531 1.00 0.00 H new ATOM 0 HB3 SER 1 20 7.410 14.528 -15.070 1.00 0.00 H new ATOM 0 HG SER 1 20 9.576 15.229 -15.518 1.00 0.00 H new ATOM 265 N PRO 1 21 7.413 14.858 -11.644 1.00 0.00 N ATOM 266 CA PRO 1 21 6.520 15.681 -10.822 1.00 0.00 C ATOM 267 C PRO 1 21 5.507 16.458 -11.659 1.00 0.00 C ATOM 268 O PRO 1 21 4.390 16.722 -11.212 1.00 0.00 O ATOM 269 CB PRO 1 21 7.478 16.641 -10.119 1.00 0.00 C ATOM 270 CG PRO 1 21 8.762 15.892 -10.026 1.00 0.00 C ATOM 271 CD PRO 1 21 8.827 15.013 -11.248 1.00 0.00 C ATOM 0 HA PRO 1 21 5.920 15.077 -10.142 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 7.599 17.565 -10.684 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 7.108 16.917 -9.132 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 9.610 16.576 -9.993 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 8.799 15.295 -9.115 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 9.417 15.473 -12.041 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 9.288 14.051 -11.025 1.00 0.00 H new ATOM 279 N ALA 1 22 5.903 16.818 -12.876 1.00 0.00 N ATOM 280 CA ALA 1 22 5.029 17.560 -13.778 1.00 0.00 C ATOM 281 C ALA 1 22 4.111 16.617 -14.548 1.00 0.00 C ATOM 282 O ALA 1 22 3.044 17.016 -15.017 1.00 0.00 O ATOM 283 CB ALA 1 22 5.855 18.400 -14.741 1.00 0.00 C ATOM 0 H ALA 1 22 6.824 16.608 -13.260 1.00 0.00 H new ATOM 0 HA ALA 1 22 4.406 18.224 -13.178 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 5.190 18.948 -15.408 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 6.465 19.105 -14.177 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 6.502 17.749 -15.329 1.00 0.00 H new ATOM 289 N ASN 1 23 4.528 15.361 -14.665 1.00 0.00 N ATOM 290 CA ASN 1 23 3.744 14.352 -15.365 1.00 0.00 C ATOM 291 C ASN 1 23 3.128 13.367 -14.374 1.00 0.00 C ATOM 292 O ASN 1 23 2.570 12.343 -14.766 1.00 0.00 O ATOM 293 CB ASN 1 23 4.618 13.602 -16.373 1.00 0.00 C ATOM 294 CG ASN 1 23 4.989 14.460 -17.566 1.00 0.00 C ATOM 295 OD1 ASN 1 23 6.151 14.826 -17.745 1.00 0.00 O ATOM 296 ND2 ASN 1 23 4.001 14.785 -18.392 1.00 0.00 N ATOM 0 H ASN 1 23 5.409 15.017 -14.282 1.00 0.00 H new ATOM 0 HA ASN 1 23 2.940 14.856 -15.901 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 5.527 13.260 -15.878 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 4.089 12.714 -16.718 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 4.191 15.360 -19.213 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 3.052 14.460 -18.205 1.00 0.00 H new ATOM 303 N CYS 1 24 3.242 13.690 -13.087 1.00 0.00 N ATOM 304 CA CYS 1 24 2.711 12.855 -12.023 1.00 0.00 C ATOM 305 C CYS 1 24 1.234 12.563 -12.243 1.00 0.00 C ATOM 306 O CYS 1 24 0.363 13.277 -11.745 1.00 0.00 O ATOM 307 CB CYS 1 24 2.925 13.544 -10.678 1.00 0.00 C ATOM 308 SG CYS 1 24 4.389 12.952 -9.769 1.00 0.00 S ATOM 0 H CYS 1 24 3.705 14.537 -12.758 1.00 0.00 H new ATOM 0 HA CYS 1 24 3.242 11.903 -12.028 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 3.021 14.617 -10.842 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 2.040 13.394 -10.059 1.00 0.00 H new ATOM 313 N GLN 1 25 0.966 11.507 -12.997 1.00 0.00 N ATOM 314 CA GLN 1 25 -0.402 11.103 -13.301 1.00 0.00 C ATOM 315 C GLN 1 25 -0.955 10.165 -12.230 1.00 0.00 C ATOM 316 O GLN 1 25 -1.676 9.215 -12.535 1.00 0.00 O ATOM 317 CB GLN 1 25 -0.461 10.422 -14.670 1.00 0.00 C ATOM 318 CG GLN 1 25 0.381 9.159 -14.757 1.00 0.00 C ATOM 319 CD GLN 1 25 1.099 9.029 -16.086 1.00 0.00 C ATOM 320 OE1 GLN 1 25 0.483 8.737 -17.112 1.00 0.00 O ATOM 321 NE2 GLN 1 25 2.409 9.244 -16.075 1.00 0.00 N ATOM 0 H GLN 1 25 1.681 10.910 -13.412 1.00 0.00 H new ATOM 0 HA GLN 1 25 -1.019 12.001 -13.318 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 -1.497 10.174 -14.899 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 -0.125 11.126 -15.432 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 1.114 9.159 -13.950 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 -0.258 8.289 -14.607 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 2.879 9.484 -15.202 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 2.945 9.170 -16.939 1.00 0.00 H new ATOM 330 N ASP 1 26 -0.619 10.441 -10.973 1.00 0.00 N ATOM 331 CA ASP 1 26 -1.088 9.630 -9.860 1.00 0.00 C ATOM 332 C ASP 1 26 -1.480 10.518 -8.686 1.00 0.00 C ATOM 333 O ASP 1 26 -0.635 10.920 -7.887 1.00 0.00 O ATOM 334 CB ASP 1 26 -0.006 8.639 -9.428 1.00 0.00 C ATOM 335 CG ASP 1 26 -0.586 7.342 -8.899 1.00 0.00 C ATOM 336 OD1 ASP 1 26 -1.297 7.385 -7.873 1.00 0.00 O ATOM 337 OD2 ASP 1 26 -0.329 6.283 -9.510 1.00 0.00 O ATOM 0 H ASP 1 26 -0.022 11.223 -10.702 1.00 0.00 H new ATOM 0 HA ASP 1 26 -1.965 9.071 -10.187 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 0.644 8.424 -10.276 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 0.615 9.097 -8.658 1.00 0.00 H new ATOM 342 N ARG 1 27 -2.767 10.826 -8.591 1.00 0.00 N ATOM 343 CA ARG 1 27 -3.273 11.673 -7.519 1.00 0.00 C ATOM 344 C ARG 1 27 -3.095 11.005 -6.157 1.00 0.00 C ATOM 345 O ARG 1 27 -3.143 11.669 -5.121 1.00 0.00 O ATOM 346 CB ARG 1 27 -4.748 11.995 -7.757 1.00 0.00 C ATOM 347 CG ARG 1 27 -5.346 12.920 -6.710 1.00 0.00 C ATOM 348 CD ARG 1 27 -6.041 12.137 -5.608 1.00 0.00 C ATOM 349 NE ARG 1 27 -7.402 11.758 -5.979 1.00 0.00 N ATOM 350 CZ ARG 1 27 -8.296 11.270 -5.122 1.00 0.00 C ATOM 351 NH1 ARG 1 27 -7.977 11.099 -3.845 1.00 0.00 N ATOM 352 NH2 ARG 1 27 -9.512 10.951 -5.543 1.00 0.00 N ATOM 0 H ARG 1 27 -3.480 10.501 -9.244 1.00 0.00 H new ATOM 0 HA ARG 1 27 -2.698 12.599 -7.519 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 -4.857 12.454 -8.740 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 -5.316 11.065 -7.775 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 -4.560 13.539 -6.278 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 -6.059 13.595 -7.184 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 -5.464 11.240 -5.382 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 -6.067 12.737 -4.698 1.00 0.00 H new ATOM 0 HE ARG 1 27 -7.684 11.874 -6.952 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 -7.043 11.342 -3.516 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 -8.666 10.725 -3.193 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 -9.762 11.080 -6.523 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 -10.197 10.577 -4.886 1.00 0.00 H new ATOM 366 N CYS 1 28 -2.889 9.692 -6.163 1.00 0.00 N ATOM 367 CA CYS 1 28 -2.704 8.943 -4.927 1.00 0.00 C ATOM 368 C CYS 1 28 -1.220 8.785 -4.593 1.00 0.00 C ATOM 369 O CYS 1 28 -0.864 8.450 -3.462 1.00 0.00 O ATOM 370 CB CYS 1 28 -3.370 7.569 -5.036 1.00 0.00 C ATOM 371 SG CYS 1 28 -5.141 7.638 -5.464 1.00 0.00 S ATOM 0 H CYS 1 28 -2.846 9.126 -7.010 1.00 0.00 H new ATOM 0 HA CYS 1 28 -3.174 9.504 -4.119 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 -2.847 6.981 -5.790 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 -3.256 7.044 -4.087 1.00 0.00 H new ATOM 376 N CYS 1 29 -0.356 9.030 -5.577 1.00 0.00 N ATOM 377 CA CYS 1 29 1.085 8.914 -5.375 1.00 0.00 C ATOM 378 C CYS 1 29 1.814 10.144 -5.900 1.00 0.00 C ATOM 379 O CYS 1 29 1.643 10.535 -7.054 1.00 0.00 O ATOM 380 CB CYS 1 29 1.624 7.663 -6.068 1.00 0.00 C ATOM 381 SG CYS 1 29 1.248 6.106 -5.202 1.00 0.00 S ATOM 0 H CYS 1 29 -0.629 9.309 -6.519 1.00 0.00 H new ATOM 0 HA CYS 1 29 1.264 8.836 -4.303 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 1.211 7.614 -7.076 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 2.705 7.756 -6.171 1.00 0.00 H new ATOM 386 N ASN 1 30 2.633 10.749 -5.046 1.00 0.00 N ATOM 387 CA ASN 1 30 3.391 11.933 -5.428 1.00 0.00 C ATOM 388 C ASN 1 30 4.887 11.636 -5.483 1.00 0.00 C ATOM 389 O ASN 1 30 5.464 11.098 -4.531 1.00 0.00 O ATOM 390 CB ASN 1 30 3.115 13.077 -4.452 1.00 0.00 C ATOM 391 CG ASN 1 30 3.790 14.369 -4.869 1.00 0.00 C ATOM 392 OD1 ASN 1 30 3.552 14.883 -5.962 1.00 0.00 O ATOM 393 ND2 ASN 1 30 4.638 14.902 -3.998 1.00 0.00 N ATOM 0 H ASN 1 30 2.788 10.439 -4.087 1.00 0.00 H new ATOM 0 HA ASN 1 30 3.069 12.232 -6.425 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 2.039 13.239 -4.381 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 3.461 12.794 -3.458 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 5.122 15.771 -4.224 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 4.806 14.442 -3.103 1.00 0.00 H new ATOM 400 N ALA 1 31 5.503 11.996 -6.608 1.00 0.00 N ATOM 401 CA ALA 1 31 6.932 11.785 -6.814 1.00 0.00 C ATOM 402 C ALA 1 31 7.750 12.759 -5.976 1.00 0.00 C ATOM 403 O ALA 1 31 8.739 12.382 -5.348 1.00 0.00 O ATOM 404 CB ALA 1 31 7.278 11.947 -8.287 1.00 0.00 C ATOM 0 H ALA 1 31 5.029 12.438 -7.395 1.00 0.00 H new ATOM 0 HA ALA 1 31 7.177 10.771 -6.499 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 8.347 11.787 -8.429 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 6.721 11.217 -8.874 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 7.015 12.953 -8.614 1.00 0.00 H new ATOM 410 N ALA 1 32 7.324 14.018 -5.975 1.00 0.00 N ATOM 411 CA ALA 1 32 8.004 15.065 -5.220 1.00 0.00 C ATOM 412 C ALA 1 32 8.187 14.679 -3.753 1.00 0.00 C ATOM 413 O ALA 1 32 9.032 15.242 -3.057 1.00 0.00 O ATOM 414 CB ALA 1 32 7.229 16.369 -5.325 1.00 0.00 C ATOM 0 H ALA 1 32 6.506 14.339 -6.492 1.00 0.00 H new ATOM 0 HA ALA 1 32 8.996 15.196 -5.653 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 7.744 17.145 -4.758 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 7.161 16.668 -6.371 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 6.226 16.230 -4.921 1.00 0.00 H new ATOM 420 N THR 1 33 7.393 13.720 -3.286 1.00 0.00 N ATOM 421 CA THR 1 33 7.475 13.269 -1.904 1.00 0.00 C ATOM 422 C THR 1 33 7.877 11.805 -1.841 1.00 0.00 C ATOM 423 O THR 1 33 8.378 11.333 -0.821 1.00 0.00 O ATOM 424 CB THR 1 33 6.129 13.460 -1.201 1.00 0.00 C ATOM 425 OG1 THR 1 33 6.268 13.300 0.200 1.00 0.00 O ATOM 426 CG2 THR 1 33 5.063 12.488 -1.671 1.00 0.00 C ATOM 0 H THR 1 33 6.687 13.242 -3.845 1.00 0.00 H new ATOM 0 HA THR 1 33 8.233 13.866 -1.398 1.00 0.00 H new ATOM 0 HB THR 1 33 5.812 14.472 -1.454 1.00 0.00 H new ATOM 0 HG1 THR 1 33 5.397 13.427 0.632 1.00 0.00 H new ATOM 0 HG21 THR 1 33 4.134 12.678 -1.133 1.00 0.00 H new ATOM 0 HG22 THR 1 33 4.896 12.620 -2.740 1.00 0.00 H new ATOM 0 HG23 THR 1 33 5.391 11.467 -1.478 1.00 0.00 H new ATOM 434 N CYS 1 34 7.633 11.086 -2.932 1.00 0.00 N ATOM 435 CA CYS 1 34 7.946 9.672 -2.993 1.00 0.00 C ATOM 436 C CYS 1 34 7.100 8.919 -1.979 1.00 0.00 C ATOM 437 O CYS 1 34 7.553 7.956 -1.363 1.00 0.00 O ATOM 438 CB CYS 1 34 9.433 9.438 -2.724 1.00 0.00 C ATOM 439 SG CYS 1 34 10.535 10.060 -4.035 1.00 0.00 S ATOM 0 H CYS 1 34 7.219 11.464 -3.784 1.00 0.00 H new ATOM 0 HA CYS 1 34 7.720 9.302 -3.993 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 9.700 9.917 -1.782 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 9.604 8.369 -2.598 1.00 0.00 H new ATOM 444 N LYS 1 35 5.864 9.377 -1.812 1.00 0.00 N ATOM 445 CA LYS 1 35 4.937 8.761 -0.867 1.00 0.00 C ATOM 446 C LYS 1 35 3.496 9.129 -1.211 1.00 0.00 C ATOM 447 O LYS 1 35 3.247 9.942 -2.101 1.00 0.00 O ATOM 448 CB LYS 1 35 5.243 9.206 0.567 1.00 0.00 C ATOM 449 CG LYS 1 35 6.714 9.134 0.942 1.00 0.00 C ATOM 450 CD LYS 1 35 6.934 9.493 2.402 1.00 0.00 C ATOM 451 CE LYS 1 35 6.846 8.268 3.297 1.00 0.00 C ATOM 452 NZ LYS 1 35 5.503 8.136 3.927 1.00 0.00 N ATOM 0 H LYS 1 35 5.480 10.174 -2.319 1.00 0.00 H new ATOM 0 HA LYS 1 35 5.061 7.680 -0.939 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 4.896 10.231 0.699 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 4.673 8.585 1.258 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 7.090 8.129 0.753 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 7.286 9.813 0.309 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 7.911 9.961 2.519 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 6.190 10.226 2.713 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 7.062 7.374 2.711 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 7.607 8.331 4.075 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 5.574 8.345 4.943 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 4.843 8.805 3.481 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 5.153 7.165 3.797 1.00 0.00 H new ATOM 466 N LEU 1 36 2.551 8.524 -0.499 1.00 0.00 N ATOM 467 CA LEU 1 36 1.135 8.786 -0.727 1.00 0.00 C ATOM 468 C LEU 1 36 0.808 10.260 -0.515 1.00 0.00 C ATOM 469 O LEU 1 36 1.356 10.906 0.379 1.00 0.00 O ATOM 470 CB LEU 1 36 0.281 7.923 0.204 1.00 0.00 C ATOM 471 CG LEU 1 36 0.362 6.417 -0.055 1.00 0.00 C ATOM 472 CD1 LEU 1 36 0.262 5.645 1.252 1.00 0.00 C ATOM 473 CD2 LEU 1 36 -0.734 5.983 -1.017 1.00 0.00 C ATOM 0 H LEU 1 36 2.741 7.848 0.241 1.00 0.00 H new ATOM 0 HA LEU 1 36 0.908 8.531 -1.762 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 0.584 8.116 1.233 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 -0.759 8.237 0.113 1.00 0.00 H new ATOM 0 HG LEU 1 36 1.327 6.197 -0.511 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 0.321 4.576 1.049 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 1.081 5.935 1.910 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 -0.689 5.870 1.736 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 -0.662 4.909 -1.190 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 -1.708 6.217 -0.588 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 -0.618 6.512 -1.963 1.00 0.00 H new ATOM 485 N THR 1 37 -0.088 10.786 -1.344 1.00 0.00 N ATOM 486 CA THR 1 37 -0.490 12.185 -1.249 1.00 0.00 C ATOM 487 C THR 1 37 -1.591 12.363 -0.207 1.00 0.00 C ATOM 488 O THR 1 37 -2.227 11.394 0.208 1.00 0.00 O ATOM 489 CB THR 1 37 -0.975 12.692 -2.610 1.00 0.00 C ATOM 490 OG1 THR 1 37 -2.305 12.272 -2.856 1.00 0.00 O ATOM 491 CG2 THR 1 37 -0.122 12.218 -3.767 1.00 0.00 C ATOM 0 H THR 1 37 -0.550 10.264 -2.089 1.00 0.00 H new ATOM 0 HA THR 1 37 0.378 12.767 -0.940 1.00 0.00 H new ATOM 0 HB THR 1 37 -0.907 13.778 -2.553 1.00 0.00 H new ATOM 0 HG1 THR 1 37 -2.516 12.393 -3.805 1.00 0.00 H new ATOM 0 HG21 THR 1 37 -0.522 12.614 -4.700 1.00 0.00 H new ATOM 0 HG22 THR 1 37 0.901 12.569 -3.633 1.00 0.00 H new ATOM 0 HG23 THR 1 37 -0.130 11.129 -3.802 1.00 0.00 H new ATOM 499 N PRO 1 38 -1.834 13.611 0.232 1.00 0.00 N ATOM 500 CA PRO 1 38 -2.866 13.909 1.230 1.00 0.00 C ATOM 501 C PRO 1 38 -4.224 13.331 0.845 1.00 0.00 C ATOM 502 O PRO 1 38 -4.812 13.719 -0.164 1.00 0.00 O ATOM 503 CB PRO 1 38 -2.919 15.438 1.243 1.00 0.00 C ATOM 504 CG PRO 1 38 -1.572 15.868 0.776 1.00 0.00 C ATOM 505 CD PRO 1 38 -1.124 14.826 -0.211 1.00 0.00 C ATOM 0 HA PRO 1 38 -2.634 13.471 2.201 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 -3.704 15.812 0.586 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 -3.132 15.818 2.242 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 -1.616 16.853 0.311 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 -0.874 15.941 1.610 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 -1.391 15.098 -1.232 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 -0.043 14.690 -0.190 1.00 0.00 H new ATOM 513 N GLY 1 39 -4.716 12.400 1.656 1.00 0.00 N ATOM 514 CA GLY 1 39 -6.000 11.781 1.383 1.00 0.00 C ATOM 515 C GLY 1 39 -5.868 10.322 0.993 1.00 0.00 C ATOM 516 O GLY 1 39 -6.704 9.497 1.360 1.00 0.00 O ATOM 0 H GLY 1 39 -4.248 12.063 2.498 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 -6.634 11.862 2.266 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 -6.499 12.325 0.581 1.00 0.00 H new ATOM 520 N SER 1 40 -4.814 10.005 0.248 1.00 0.00 N ATOM 521 CA SER 1 40 -4.573 8.636 -0.192 1.00 0.00 C ATOM 522 C SER 1 40 -3.696 7.891 0.809 1.00 0.00 C ATOM 523 O SER 1 40 -2.659 8.397 1.237 1.00 0.00 O ATOM 524 CB SER 1 40 -3.913 8.629 -1.572 1.00 0.00 C ATOM 525 OG SER 1 40 -4.782 9.161 -2.557 1.00 0.00 O ATOM 0 H SER 1 40 -4.113 10.678 -0.064 1.00 0.00 H new ATOM 0 HA SER 1 40 -5.534 8.126 -0.256 1.00 0.00 H new ATOM 0 HB2 SER 1 40 -2.993 9.213 -1.541 1.00 0.00 H new ATOM 0 HB3 SER 1 40 -3.635 7.610 -1.840 1.00 0.00 H new ATOM 0 HG SER 1 40 -4.890 8.512 -3.283 1.00 0.00 H new ATOM 531 N GLN 1 41 -4.120 6.688 1.180 1.00 0.00 N ATOM 532 CA GLN 1 41 -3.373 5.875 2.134 1.00 0.00 C ATOM 533 C GLN 1 41 -2.814 4.618 1.471 1.00 0.00 C ATOM 534 O GLN 1 41 -1.844 4.032 1.954 1.00 0.00 O ATOM 535 CB GLN 1 41 -4.268 5.486 3.312 1.00 0.00 C ATOM 536 CG GLN 1 41 -4.298 6.526 4.421 1.00 0.00 C ATOM 537 CD GLN 1 41 -4.547 5.914 5.786 1.00 0.00 C ATOM 538 OE1 GLN 1 41 -3.625 5.418 6.434 1.00 0.00 O ATOM 539 NE2 GLN 1 41 -5.798 5.947 6.230 1.00 0.00 N ATOM 0 H GLN 1 41 -4.976 6.254 0.835 1.00 0.00 H new ATOM 0 HA GLN 1 41 -2.536 6.471 2.498 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 -5.283 5.324 2.949 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 -3.922 4.538 3.723 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 -3.350 7.064 4.435 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 -5.077 7.258 4.207 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 -6.531 6.368 5.659 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 -6.026 5.551 7.142 1.00 0.00 H new ATOM 548 N CYS 1 42 -3.430 4.203 0.367 1.00 0.00 N ATOM 549 CA CYS 1 42 -2.989 3.013 -0.350 1.00 0.00 C ATOM 550 C CYS 1 42 -2.659 3.329 -1.806 1.00 0.00 C ATOM 551 O CYS 1 42 -2.759 4.471 -2.255 1.00 0.00 O ATOM 552 CB CYS 1 42 -4.061 1.919 -0.275 1.00 0.00 C ATOM 553 SG CYS 1 42 -5.159 1.796 -1.734 1.00 0.00 S ATOM 0 H CYS 1 42 -4.234 4.673 -0.049 1.00 0.00 H new ATOM 0 HA CYS 1 42 -2.078 2.653 0.129 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 -3.566 0.958 -0.131 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 -4.676 2.096 0.608 1.00 0.00 H new ATOM 558 N ASN 1 43 -2.281 2.288 -2.527 1.00 0.00 N ATOM 559 CA ASN 1 43 -1.940 2.383 -3.940 1.00 0.00 C ATOM 560 C ASN 1 43 -1.554 1.000 -4.454 1.00 0.00 C ATOM 561 O ASN 1 43 -1.840 0.640 -5.596 1.00 0.00 O ATOM 562 CB ASN 1 43 -0.803 3.383 -4.156 1.00 0.00 C ATOM 563 CG ASN 1 43 -0.307 3.398 -5.590 1.00 0.00 C ATOM 564 OD1 ASN 1 43 -1.075 3.639 -6.522 1.00 0.00 O ATOM 565 ND2 ASN 1 43 0.982 3.139 -5.773 1.00 0.00 N ATOM 0 H ASN 1 43 -2.201 1.345 -2.148 1.00 0.00 H new ATOM 0 HA ASN 1 43 -2.804 2.744 -4.498 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 -1.145 4.381 -3.883 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 0.025 3.136 -3.491 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 1.373 3.134 -6.715 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 1.582 2.945 -4.971 1.00 0.00 H new ATOM 572 N TYR 1 44 -0.923 0.227 -3.578 1.00 0.00 N ATOM 573 CA TYR 1 44 -0.508 -1.131 -3.888 1.00 0.00 C ATOM 574 C TYR 1 44 -0.436 -1.943 -2.596 1.00 0.00 C ATOM 575 O TYR 1 44 -0.061 -1.417 -1.548 1.00 0.00 O ATOM 576 CB TYR 1 44 0.844 -1.128 -4.616 1.00 0.00 C ATOM 577 CG TYR 1 44 2.043 -1.191 -3.695 1.00 0.00 C ATOM 578 CD1 TYR 1 44 2.423 -2.391 -3.110 1.00 0.00 C ATOM 579 CD2 TYR 1 44 2.787 -0.055 -3.409 1.00 0.00 C ATOM 580 CE1 TYR 1 44 3.511 -2.458 -2.266 1.00 0.00 C ATOM 581 CE2 TYR 1 44 3.879 -0.113 -2.565 1.00 0.00 C ATOM 582 CZ TYR 1 44 4.237 -1.317 -1.995 1.00 0.00 C ATOM 583 OH TYR 1 44 5.324 -1.380 -1.153 1.00 0.00 O ATOM 0 H TYR 1 44 -0.686 0.527 -2.632 1.00 0.00 H new ATOM 0 HA TYR 1 44 -1.238 -1.591 -4.553 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 0.879 -1.977 -5.298 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 0.914 -0.227 -5.225 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 1.857 -3.287 -3.319 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 2.508 0.889 -3.853 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 3.794 -3.400 -1.819 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 4.449 0.779 -2.353 1.00 0.00 H new ATOM 0 HH TYR 1 44 5.725 -0.490 -1.069 1.00 0.00 H new ATOM 593 N GLY 1 45 -0.798 -3.217 -2.668 1.00 0.00 N ATOM 594 CA GLY 1 45 -0.767 -4.059 -1.485 1.00 0.00 C ATOM 595 C GLY 1 45 -2.137 -4.598 -1.110 1.00 0.00 C ATOM 596 O GLY 1 45 -3.161 -4.101 -1.579 1.00 0.00 O ATOM 0 H GLY 1 45 -1.112 -3.682 -3.520 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -0.088 -4.894 -1.657 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -0.365 -3.488 -0.648 1.00 0.00 H new ATOM 600 N GLU 1 46 -2.147 -5.623 -0.265 1.00 0.00 N ATOM 601 CA GLU 1 46 -3.386 -6.257 0.181 1.00 0.00 C ATOM 602 C GLU 1 46 -4.325 -5.269 0.867 1.00 0.00 C ATOM 603 O GLU 1 46 -5.528 -5.255 0.606 1.00 0.00 O ATOM 604 CB GLU 1 46 -3.060 -7.384 1.158 1.00 0.00 C ATOM 605 CG GLU 1 46 -2.630 -8.678 0.488 1.00 0.00 C ATOM 606 CD GLU 1 46 -1.515 -8.473 -0.519 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -1.823 -8.209 -1.700 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -0.334 -8.577 -0.126 1.00 0.00 O ATOM 0 H GLU 1 46 -1.302 -6.037 0.129 1.00 0.00 H new ATOM 0 HA GLU 1 46 -3.890 -6.644 -0.705 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -2.266 -7.052 1.827 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -3.936 -7.580 1.776 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -2.301 -9.385 1.250 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -3.488 -9.126 -0.013 1.00 0.00 H new ATOM 615 N CYS 1 47 -3.772 -4.469 1.767 1.00 0.00 N ATOM 616 CA CYS 1 47 -4.557 -3.499 2.523 1.00 0.00 C ATOM 617 C CYS 1 47 -5.093 -2.373 1.642 1.00 0.00 C ATOM 618 O CYS 1 47 -6.029 -1.674 2.026 1.00 0.00 O ATOM 619 CB CYS 1 47 -3.704 -2.917 3.647 1.00 0.00 C ATOM 620 SG CYS 1 47 -3.809 -3.836 5.211 1.00 0.00 S ATOM 0 H CYS 1 47 -2.777 -4.472 1.994 1.00 0.00 H new ATOM 0 HA CYS 1 47 -5.418 -4.023 2.937 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 -2.664 -2.891 3.323 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 -4.009 -1.885 3.823 1.00 0.00 H new ATOM 625 N CYS 1 48 -4.492 -2.180 0.474 1.00 0.00 N ATOM 626 CA CYS 1 48 -4.915 -1.117 -0.423 1.00 0.00 C ATOM 627 C CYS 1 48 -6.307 -1.362 -1.001 1.00 0.00 C ATOM 628 O CYS 1 48 -6.585 -2.415 -1.575 1.00 0.00 O ATOM 629 CB CYS 1 48 -3.908 -0.960 -1.562 1.00 0.00 C ATOM 630 SG CYS 1 48 -4.402 0.257 -2.823 1.00 0.00 S ATOM 0 H CYS 1 48 -3.715 -2.743 0.129 1.00 0.00 H new ATOM 0 HA CYS 1 48 -4.959 -0.201 0.166 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 -2.945 -0.665 -1.144 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 -3.764 -1.928 -2.042 1.00 0.00 H new ATOM 635 N ASP 1 49 -7.167 -0.357 -0.853 1.00 0.00 N ATOM 636 CA ASP 1 49 -8.529 -0.412 -1.363 1.00 0.00 C ATOM 637 C ASP 1 49 -9.055 1.000 -1.614 1.00 0.00 C ATOM 638 O ASP 1 49 -9.287 1.762 -0.675 1.00 0.00 O ATOM 639 CB ASP 1 49 -9.442 -1.147 -0.380 1.00 0.00 C ATOM 640 CG ASP 1 49 -10.440 -2.048 -1.080 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -10.111 -2.568 -2.167 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -11.553 -2.232 -0.543 1.00 0.00 O ATOM 0 H ASP 1 49 -6.937 0.515 -0.377 1.00 0.00 H new ATOM 0 HA ASP 1 49 -8.523 -0.960 -2.305 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -8.834 -1.743 0.300 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -9.979 -0.418 0.228 1.00 0.00 H new ATOM 647 N GLN 1 50 -9.228 1.347 -2.888 1.00 0.00 N ATOM 648 CA GLN 1 50 -9.717 2.671 -3.265 1.00 0.00 C ATOM 649 C GLN 1 50 -8.725 3.756 -2.850 1.00 0.00 C ATOM 650 O GLN 1 50 -9.111 4.792 -2.307 1.00 0.00 O ATOM 651 CB GLN 1 50 -11.085 2.936 -2.630 1.00 0.00 C ATOM 652 CG GLN 1 50 -12.254 2.513 -3.506 1.00 0.00 C ATOM 653 CD GLN 1 50 -12.823 3.664 -4.312 1.00 0.00 C ATOM 654 OE1 GLN 1 50 -14.038 3.853 -4.373 1.00 0.00 O ATOM 655 NE2 GLN 1 50 -11.946 4.440 -4.937 1.00 0.00 N ATOM 0 H GLN 1 50 -9.037 0.729 -3.677 1.00 0.00 H new ATOM 0 HA GLN 1 50 -9.821 2.697 -4.350 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 -11.144 2.406 -1.679 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 -11.174 4.000 -2.408 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 -11.928 1.725 -4.185 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 -13.039 2.090 -2.879 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 -10.948 4.247 -4.859 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 -12.271 5.230 -5.495 1.00 0.00 H new ATOM 664 N CYS 1 51 -7.445 3.507 -3.107 1.00 0.00 N ATOM 665 CA CYS 1 51 -6.389 4.456 -2.758 1.00 0.00 C ATOM 666 C CYS 1 51 -6.380 4.741 -1.257 1.00 0.00 C ATOM 667 O CYS 1 51 -5.845 5.757 -0.812 1.00 0.00 O ATOM 668 CB CYS 1 51 -6.550 5.760 -3.538 1.00 0.00 C ATOM 669 SG CYS 1 51 -5.789 5.732 -5.194 1.00 0.00 S ATOM 0 H CYS 1 51 -7.111 2.654 -3.557 1.00 0.00 H new ATOM 0 HA CYS 1 51 -5.435 4.002 -3.029 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 -7.612 5.981 -3.641 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 -6.110 6.573 -2.961 1.00 0.00 H new ATOM 674 N ARG 1 52 -6.968 3.834 -0.479 1.00 0.00 N ATOM 675 CA ARG 1 52 -7.022 3.983 0.971 1.00 0.00 C ATOM 676 C ARG 1 52 -6.878 2.626 1.652 1.00 0.00 C ATOM 677 O ARG 1 52 -7.531 1.657 1.264 1.00 0.00 O ATOM 678 CB ARG 1 52 -8.337 4.642 1.391 1.00 0.00 C ATOM 679 CG ARG 1 52 -8.393 6.132 1.095 1.00 0.00 C ATOM 680 CD ARG 1 52 -8.031 6.957 2.320 1.00 0.00 C ATOM 681 NE ARG 1 52 -8.824 6.581 3.488 1.00 0.00 N ATOM 682 CZ ARG 1 52 -10.116 6.869 3.630 1.00 0.00 C ATOM 683 NH1 ARG 1 52 -10.763 7.535 2.682 1.00 0.00 N ATOM 684 NH2 ARG 1 52 -10.762 6.490 4.724 1.00 0.00 N ATOM 0 H ARG 1 52 -7.414 2.987 -0.831 1.00 0.00 H new ATOM 0 HA ARG 1 52 -6.194 4.621 1.281 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 -9.162 4.147 0.878 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 -8.487 4.486 2.459 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 -7.708 6.368 0.280 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 -9.394 6.400 0.758 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 -6.972 6.828 2.544 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 -8.184 8.014 2.103 1.00 0.00 H new ATOM 0 HE ARG 1 52 -8.361 6.068 4.238 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 -10.270 7.829 1.839 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 -11.753 7.753 2.797 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 -10.269 5.978 5.456 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 -11.752 6.710 4.834 1.00 0.00 H new ATOM 698 N PHE 1 53 -6.017 2.556 2.664 1.00 0.00 N ATOM 699 CA PHE 1 53 -5.792 1.307 3.385 1.00 0.00 C ATOM 700 C PHE 1 53 -7.090 0.760 3.955 1.00 0.00 C ATOM 701 O PHE 1 53 -7.967 1.516 4.373 1.00 0.00 O ATOM 702 CB PHE 1 53 -4.780 1.503 4.517 1.00 0.00 C ATOM 703 CG PHE 1 53 -3.360 1.612 4.042 1.00 0.00 C ATOM 704 CD1 PHE 1 53 -2.914 0.855 2.970 1.00 0.00 C ATOM 705 CD2 PHE 1 53 -2.472 2.472 4.666 1.00 0.00 C ATOM 706 CE1 PHE 1 53 -1.612 0.955 2.529 1.00 0.00 C ATOM 707 CE2 PHE 1 53 -1.165 2.576 4.229 1.00 0.00 C ATOM 708 CZ PHE 1 53 -0.734 1.816 3.159 1.00 0.00 C ATOM 0 H PHE 1 53 -5.466 3.345 3.002 1.00 0.00 H new ATOM 0 HA PHE 1 53 -5.392 0.588 2.670 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 -5.039 2.405 5.072 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 -4.859 0.667 5.212 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 -3.595 0.179 2.474 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 -2.804 3.068 5.503 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 -1.278 0.361 1.691 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 -0.482 3.250 4.723 1.00 0.00 H new ATOM 0 HZ PHE 1 53 0.287 1.895 2.816 1.00 0.00 H new ATOM 718 N LYS 1 54 -7.200 -0.561 3.978 1.00 0.00 N ATOM 719 CA LYS 1 54 -8.387 -1.210 4.509 1.00 0.00 C ATOM 720 C LYS 1 54 -8.470 -0.994 6.014 1.00 0.00 C ATOM 721 O LYS 1 54 -7.673 -1.544 6.770 1.00 0.00 O ATOM 722 CB LYS 1 54 -8.366 -2.706 4.189 1.00 0.00 C ATOM 723 CG LYS 1 54 -9.162 -3.073 2.948 1.00 0.00 C ATOM 724 CD LYS 1 54 -8.454 -4.137 2.125 1.00 0.00 C ATOM 725 CE LYS 1 54 -9.010 -4.210 0.712 1.00 0.00 C ATOM 726 NZ LYS 1 54 -9.140 -5.616 0.237 1.00 0.00 N ATOM 0 H LYS 1 54 -6.483 -1.201 3.636 1.00 0.00 H new ATOM 0 HA LYS 1 54 -9.266 -0.769 4.040 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -7.333 -3.026 4.056 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -8.763 -3.257 5.041 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -10.148 -3.434 3.241 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -9.317 -2.183 2.338 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -7.387 -3.918 2.086 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -8.563 -5.107 2.611 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -9.985 -3.725 0.680 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -8.357 -3.658 0.036 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -9.522 -5.622 -0.730 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -8.205 -6.072 0.243 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -9.783 -6.137 0.867 1.00 0.00 H new ATOM 740 N LYS 1 55 -9.433 -0.182 6.442 1.00 0.00 N ATOM 741 CA LYS 1 55 -9.618 0.119 7.861 1.00 0.00 C ATOM 742 C LYS 1 55 -9.319 -1.098 8.728 1.00 0.00 C ATOM 743 O LYS 1 55 -9.869 -2.181 8.506 1.00 0.00 O ATOM 744 CB LYS 1 55 -11.046 0.604 8.118 1.00 0.00 C ATOM 745 CG LYS 1 55 -11.292 1.038 9.553 1.00 0.00 C ATOM 746 CD LYS 1 55 -12.599 1.803 9.687 1.00 0.00 C ATOM 747 CE LYS 1 55 -13.016 1.942 11.143 1.00 0.00 C ATOM 748 NZ LYS 1 55 -12.516 3.208 11.745 1.00 0.00 N ATOM 0 H LYS 1 55 -10.100 0.281 5.825 1.00 0.00 H new ATOM 0 HA LYS 1 55 -8.916 0.909 8.129 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 -11.262 1.440 7.452 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 -11.743 -0.194 7.864 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 -11.314 0.162 10.201 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 -10.466 1.664 9.892 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 -12.490 2.792 9.242 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 -13.382 1.288 9.131 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 -14.103 1.911 11.214 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 -12.635 1.094 11.712 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 -12.821 3.265 12.738 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 -11.477 3.227 11.701 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 -12.900 4.018 11.218 1.00 0.00 H new ATOM 762 N ALA 1 56 -8.434 -0.917 9.709 1.00 0.00 N ATOM 763 CA ALA 1 56 -8.058 -2.004 10.602 1.00 0.00 C ATOM 764 C ALA 1 56 -9.263 -2.862 10.939 1.00 0.00 C ATOM 765 O ALA 1 56 -10.332 -2.349 11.270 1.00 0.00 O ATOM 766 CB ALA 1 56 -7.430 -1.476 11.876 1.00 0.00 C ATOM 0 H ALA 1 56 -7.968 -0.030 9.902 1.00 0.00 H new ATOM 0 HA ALA 1 56 -7.321 -2.616 10.082 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 -7.160 -2.311 12.522 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 -6.536 -0.903 11.631 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 -8.142 -0.833 12.393 1.00 0.00 H new ATOM 772 N GLY 1 57 -9.093 -4.162 10.822 1.00 0.00 N ATOM 773 CA GLY 1 57 -10.190 -5.068 11.087 1.00 0.00 C ATOM 774 C GLY 1 57 -10.605 -5.805 9.834 1.00 0.00 C ATOM 775 O GLY 1 57 -11.323 -6.803 9.899 1.00 0.00 O ATOM 0 H GLY 1 57 -8.218 -4.610 10.549 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -9.896 -5.785 11.853 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -11.039 -4.510 11.482 1.00 0.00 H new ATOM 779 N THR 1 58 -10.136 -5.317 8.686 1.00 0.00 N ATOM 780 CA THR 1 58 -10.438 -5.949 7.412 1.00 0.00 C ATOM 781 C THR 1 58 -9.568 -7.186 7.233 1.00 0.00 C ATOM 782 O THR 1 58 -8.340 -7.097 7.253 1.00 0.00 O ATOM 783 CB THR 1 58 -10.194 -4.976 6.259 1.00 0.00 C ATOM 784 OG1 THR 1 58 -10.985 -3.811 6.406 1.00 0.00 O ATOM 785 CG2 THR 1 58 -10.507 -5.580 4.911 1.00 0.00 C ATOM 0 H THR 1 58 -9.547 -4.487 8.617 1.00 0.00 H new ATOM 0 HA THR 1 58 -11.489 -6.239 7.407 1.00 0.00 H new ATOM 0 HB THR 1 58 -9.133 -4.731 6.299 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -10.604 -3.244 7.109 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -10.316 -4.845 4.130 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -9.877 -6.454 4.749 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -11.555 -5.878 4.880 1.00 0.00 H new ATOM 793 N VAL 1 59 -10.200 -8.341 7.070 1.00 0.00 N ATOM 794 CA VAL 1 59 -9.462 -9.584 6.904 1.00 0.00 C ATOM 795 C VAL 1 59 -8.953 -9.747 5.474 1.00 0.00 C ATOM 796 O VAL 1 59 -9.739 -9.823 4.530 1.00 0.00 O ATOM 797 CB VAL 1 59 -10.325 -10.808 7.274 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -11.528 -10.919 6.348 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -9.493 -12.083 7.235 1.00 0.00 C ATOM 0 H VAL 1 59 -11.215 -8.442 7.049 1.00 0.00 H new ATOM 0 HA VAL 1 59 -8.610 -9.531 7.581 1.00 0.00 H new ATOM 0 HB VAL 1 59 -10.692 -10.672 8.291 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -12.123 -11.789 6.627 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -12.138 -10.020 6.434 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -11.186 -11.028 5.319 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -10.120 -12.935 7.499 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -9.092 -12.225 6.232 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -8.671 -12.003 7.947 1.00 0.00 H new ATOM 809 N CYS 1 60 -7.632 -9.804 5.322 1.00 0.00 N ATOM 810 CA CYS 1 60 -7.025 -9.963 4.002 1.00 0.00 C ATOM 811 C CYS 1 60 -6.566 -11.402 3.763 1.00 0.00 C ATOM 812 O CYS 1 60 -6.457 -11.844 2.619 1.00 0.00 O ATOM 813 CB CYS 1 60 -5.830 -9.024 3.841 1.00 0.00 C ATOM 814 SG CYS 1 60 -6.166 -7.295 4.296 1.00 0.00 S ATOM 0 H CYS 1 60 -6.965 -9.743 6.091 1.00 0.00 H new ATOM 0 HA CYS 1 60 -7.790 -9.713 3.266 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -5.007 -9.395 4.453 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -5.496 -9.056 2.804 1.00 0.00 H new ATOM 819 N ARG 1 61 -6.283 -12.122 4.845 1.00 0.00 N ATOM 820 CA ARG 1 61 -5.817 -13.505 4.745 1.00 0.00 C ATOM 821 C ARG 1 61 -6.308 -14.345 5.922 1.00 0.00 C ATOM 822 O ARG 1 61 -7.036 -13.860 6.788 1.00 0.00 O ATOM 823 CB ARG 1 61 -4.284 -13.546 4.680 1.00 0.00 C ATOM 824 CG ARG 1 61 -3.743 -14.378 3.526 1.00 0.00 C ATOM 825 CD ARG 1 61 -2.407 -15.040 3.859 1.00 0.00 C ATOM 826 NE ARG 1 61 -1.605 -14.270 4.813 1.00 0.00 N ATOM 827 CZ ARG 1 61 -1.162 -13.034 4.590 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -1.400 -12.431 3.432 1.00 0.00 N ATOM 829 NH2 ARG 1 61 -0.465 -12.404 5.526 1.00 0.00 N ATOM 0 H ARG 1 61 -6.367 -11.773 5.800 1.00 0.00 H new ATOM 0 HA ARG 1 61 -6.229 -13.929 3.829 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -3.906 -12.528 4.591 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -3.900 -13.948 5.618 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -4.470 -15.146 3.264 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -3.621 -13.742 2.649 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -2.593 -16.033 4.268 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -1.837 -15.175 2.940 1.00 0.00 H new ATOM 0 HE ARG 1 61 -1.371 -14.708 5.704 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -1.926 -12.914 2.704 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 -1.057 -11.484 3.270 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 -0.269 -12.866 6.414 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 -0.124 -11.457 5.358 1.00 0.00 H new ATOM 843 N ILE 1 62 -5.897 -15.609 5.944 1.00 0.00 N ATOM 844 CA ILE 1 62 -6.278 -16.524 7.010 1.00 0.00 C ATOM 845 C ILE 1 62 -5.632 -17.887 6.800 1.00 0.00 C ATOM 846 O ILE 1 62 -5.646 -18.433 5.697 1.00 0.00 O ATOM 847 CB ILE 1 62 -7.808 -16.686 7.107 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -8.179 -17.737 8.158 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -8.393 -17.053 5.752 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -7.718 -17.384 9.555 1.00 0.00 C ATOM 0 H ILE 1 62 -5.297 -16.023 5.231 1.00 0.00 H new ATOM 0 HA ILE 1 62 -5.923 -16.093 7.946 1.00 0.00 H new ATOM 0 HB ILE 1 62 -8.232 -15.731 7.418 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -9.261 -17.867 8.163 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -7.744 -18.695 7.872 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -9.474 -17.163 5.840 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -8.166 -16.266 5.033 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -7.959 -17.993 5.411 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -8.015 -18.173 10.246 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -6.633 -17.282 9.565 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -8.174 -16.442 9.861 1.00 0.00 H new ATOM 862 N ALA 1 63 -5.061 -18.425 7.868 1.00 0.00 N ATOM 863 CA ALA 1 63 -4.399 -19.722 7.810 1.00 0.00 C ATOM 864 C ALA 1 63 -5.365 -20.815 7.370 1.00 0.00 C ATOM 865 O ALA 1 63 -5.343 -21.246 6.217 1.00 0.00 O ATOM 866 CB ALA 1 63 -3.773 -20.061 9.155 1.00 0.00 C ATOM 0 H ALA 1 63 -5.042 -17.983 8.787 1.00 0.00 H new ATOM 0 HA ALA 1 63 -3.605 -19.663 7.065 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -3.283 -21.033 9.094 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -3.038 -19.300 9.416 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -4.549 -20.094 9.920 1.00 0.00 H new ATOM 872 N ARG 1 64 -6.212 -21.260 8.290 1.00 0.00 N ATOM 873 CA ARG 1 64 -7.185 -22.304 7.983 1.00 0.00 C ATOM 874 C ARG 1 64 -8.126 -22.548 9.158 1.00 0.00 C ATOM 875 O ARG 1 64 -8.064 -23.590 9.810 1.00 0.00 O ATOM 876 CB ARG 1 64 -6.468 -23.602 7.608 1.00 0.00 C ATOM 877 CG ARG 1 64 -7.208 -24.428 6.568 1.00 0.00 C ATOM 878 CD ARG 1 64 -6.985 -23.887 5.166 1.00 0.00 C ATOM 879 NE ARG 1 64 -7.523 -24.780 4.142 1.00 0.00 N ATOM 880 CZ ARG 1 64 -6.924 -25.901 3.747 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -5.768 -26.269 4.285 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -7.482 -26.655 2.810 1.00 0.00 N ATOM 0 H ARG 1 64 -6.246 -20.917 9.250 1.00 0.00 H new ATOM 0 HA ARG 1 64 -7.782 -21.966 7.136 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -5.474 -23.362 7.229 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -6.330 -24.204 8.506 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -6.871 -25.464 6.617 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -8.274 -24.428 6.794 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -7.455 -22.908 5.076 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -5.917 -23.744 4.998 1.00 0.00 H new ATOM 0 HE ARG 1 64 -8.410 -24.530 3.704 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -5.334 -25.692 5.005 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -5.314 -27.129 3.978 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -8.370 -26.376 2.392 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -7.024 -27.514 2.507 1.00 0.00 H new ATOM 896 N GLY 1 65 -9.001 -21.584 9.419 1.00 0.00 N ATOM 897 CA GLY 1 65 -9.944 -21.718 10.512 1.00 0.00 C ATOM 898 C GLY 1 65 -10.280 -20.389 11.156 1.00 0.00 C ATOM 899 O GLY 1 65 -10.903 -19.528 10.534 1.00 0.00 O ATOM 0 H GLY 1 65 -9.074 -20.713 8.893 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -10.859 -22.181 10.143 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -9.529 -22.388 11.265 1.00 0.00 H new ATOM 903 N ASP 1 66 -9.866 -20.224 12.406 1.00 0.00 N ATOM 904 CA ASP 1 66 -10.122 -18.992 13.142 1.00 0.00 C ATOM 905 C ASP 1 66 -9.325 -18.966 14.441 1.00 0.00 C ATOM 906 O ASP 1 66 -9.833 -19.323 15.504 1.00 0.00 O ATOM 907 CB ASP 1 66 -11.615 -18.849 13.441 1.00 0.00 C ATOM 908 CG ASP 1 66 -12.350 -18.080 12.361 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -11.746 -17.158 11.773 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -13.530 -18.398 12.103 1.00 0.00 O ATOM 0 H ASP 1 66 -9.350 -20.929 12.932 1.00 0.00 H new ATOM 0 HA ASP 1 66 -9.805 -18.153 12.522 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -12.059 -19.839 13.544 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -11.744 -18.341 14.397 1.00 0.00 H new ATOM 915 N TRP 1 67 -8.070 -18.545 14.343 1.00 0.00 N ATOM 916 CA TRP 1 67 -7.187 -18.474 15.503 1.00 0.00 C ATOM 917 C TRP 1 67 -6.706 -17.046 15.719 1.00 0.00 C ATOM 918 O TRP 1 67 -7.090 -16.382 16.683 1.00 0.00 O ATOM 919 CB TRP 1 67 -5.983 -19.404 15.306 1.00 0.00 C ATOM 920 CG TRP 1 67 -5.909 -20.002 13.932 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -5.602 -19.358 12.766 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -6.159 -21.364 13.583 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -5.653 -20.237 11.717 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -5.989 -21.477 12.192 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -6.510 -22.499 14.314 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -6.159 -22.681 11.517 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -6.678 -23.696 13.645 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -6.502 -23.780 12.258 1.00 0.00 C ATOM 0 H TRP 1 67 -7.638 -18.246 13.468 1.00 0.00 H new ATOM 0 HA TRP 1 67 -7.746 -18.793 16.383 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -5.067 -18.846 15.501 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -6.030 -20.207 16.041 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -5.355 -18.310 12.684 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -5.470 -20.006 10.740 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -6.648 -22.443 15.384 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -6.025 -22.747 10.447 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -6.949 -24.581 14.201 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -6.640 -24.730 11.763 1.00 0.00 H new ATOM 939 N ASN 1 68 -5.872 -16.584 14.803 1.00 0.00 N ATOM 940 CA ASN 1 68 -5.329 -15.231 14.859 1.00 0.00 C ATOM 941 C ASN 1 68 -5.864 -14.397 13.706 1.00 0.00 C ATOM 942 O ASN 1 68 -6.023 -13.182 13.825 1.00 0.00 O ATOM 943 CB ASN 1 68 -3.804 -15.254 14.791 1.00 0.00 C ATOM 944 CG ASN 1 68 -3.196 -16.429 15.533 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -2.680 -16.279 16.640 1.00 0.00 O ATOM 946 ND2 ASN 1 68 -3.254 -17.607 14.923 1.00 0.00 N ATOM 0 H ASN 1 68 -5.552 -17.130 14.003 1.00 0.00 H new ATOM 0 HA ASN 1 68 -5.638 -14.788 15.806 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -3.493 -15.290 13.747 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -3.413 -14.326 15.208 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -2.861 -18.434 15.373 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -3.692 -17.685 14.005 1.00 0.00 H new ATOM 953 N ASP 1 69 -6.139 -15.061 12.588 1.00 0.00 N ATOM 954 CA ASP 1 69 -6.656 -14.390 11.407 1.00 0.00 C ATOM 955 C ASP 1 69 -5.676 -13.360 10.877 1.00 0.00 C ATOM 956 O ASP 1 69 -4.688 -13.022 11.529 1.00 0.00 O ATOM 957 CB ASP 1 69 -7.966 -13.689 11.731 1.00 0.00 C ATOM 958 CG ASP 1 69 -9.160 -14.620 11.666 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -9.379 -15.374 12.638 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -9.877 -14.596 10.643 1.00 0.00 O ATOM 0 H ASP 1 69 -6.011 -16.067 12.478 1.00 0.00 H new ATOM 0 HA ASP 1 69 -6.814 -15.154 10.645 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -7.903 -13.254 12.729 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -8.115 -12.865 11.033 1.00 0.00 H new ATOM 965 N ASP 1 70 -5.987 -12.841 9.701 1.00 0.00 N ATOM 966 CA ASP 1 70 -5.175 -11.817 9.076 1.00 0.00 C ATOM 967 C ASP 1 70 -6.002 -10.561 8.922 1.00 0.00 C ATOM 968 O ASP 1 70 -7.040 -10.575 8.267 1.00 0.00 O ATOM 969 CB ASP 1 70 -4.658 -12.283 7.719 1.00 0.00 C ATOM 970 CG ASP 1 70 -3.665 -11.308 7.123 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -3.738 -10.110 7.464 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -2.818 -11.740 6.315 1.00 0.00 O ATOM 0 H ASP 1 70 -6.805 -13.117 9.158 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.310 -11.613 9.707 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -4.186 -13.260 7.827 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -5.497 -12.408 7.035 1.00 0.00 H new ATOM 977 N TYR 1 71 -5.570 -9.486 9.563 1.00 0.00 N ATOM 978 CA TYR 1 71 -6.325 -8.248 9.518 1.00 0.00 C ATOM 979 C TYR 1 71 -5.467 -7.029 9.250 1.00 0.00 C ATOM 980 O TYR 1 71 -4.341 -6.917 9.733 1.00 0.00 O ATOM 981 CB TYR 1 71 -7.055 -8.062 10.835 1.00 0.00 C ATOM 982 CG TYR 1 71 -8.250 -8.958 10.974 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -9.412 -8.667 10.292 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -8.219 -10.084 11.783 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -10.525 -9.465 10.404 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -9.325 -10.897 11.906 1.00 0.00 C ATOM 987 CZ TYR 1 71 -10.481 -10.585 11.214 1.00 0.00 C ATOM 988 OH TYR 1 71 -11.591 -11.390 11.333 1.00 0.00 O ATOM 0 H TYR 1 71 -4.712 -9.447 10.113 1.00 0.00 H new ATOM 0 HA TYR 1 71 -7.023 -8.333 8.685 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -6.365 -8.255 11.657 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -7.374 -7.024 10.924 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -9.448 -7.794 9.657 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -7.316 -10.327 12.324 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -11.427 -9.219 9.864 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -9.289 -11.772 12.538 1.00 0.00 H new ATOM 0 HH TYR 1 71 -11.392 -12.134 11.939 1.00 0.00 H new ATOM 998 N CYS 1 72 -6.037 -6.102 8.493 1.00 0.00 N ATOM 999 CA CYS 1 72 -5.365 -4.859 8.166 1.00 0.00 C ATOM 1000 C CYS 1 72 -5.217 -3.998 9.415 1.00 0.00 C ATOM 1001 O CYS 1 72 -5.906 -4.218 10.413 1.00 0.00 O ATOM 1002 CB CYS 1 72 -6.154 -4.103 7.100 1.00 0.00 C ATOM 1003 SG CYS 1 72 -5.197 -2.803 6.261 1.00 0.00 S ATOM 0 H CYS 1 72 -6.971 -6.192 8.093 1.00 0.00 H new ATOM 0 HA CYS 1 72 -4.373 -5.087 7.777 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -6.514 -4.813 6.356 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 -7.033 -3.653 7.562 1.00 0.00 H new ATOM 1008 N THR 1 73 -4.318 -3.022 9.358 1.00 0.00 N ATOM 1009 CA THR 1 73 -4.085 -2.134 10.493 1.00 0.00 C ATOM 1010 C THR 1 73 -4.326 -0.672 10.116 1.00 0.00 C ATOM 1011 O THR 1 73 -4.033 0.234 10.897 1.00 0.00 O ATOM 1012 CB THR 1 73 -2.657 -2.308 11.014 1.00 0.00 C ATOM 1013 OG1 THR 1 73 -1.737 -1.597 10.205 1.00 0.00 O ATOM 1014 CG2 THR 1 73 -2.209 -3.754 11.057 1.00 0.00 C ATOM 0 H THR 1 73 -3.740 -2.825 8.541 1.00 0.00 H new ATOM 0 HA THR 1 73 -4.792 -2.403 11.278 1.00 0.00 H new ATOM 0 HB THR 1 73 -2.671 -1.917 12.031 1.00 0.00 H new ATOM 0 HG1 THR 1 73 -0.830 -1.720 10.556 1.00 0.00 H new ATOM 0 HG21 THR 1 73 -1.188 -3.808 11.436 1.00 0.00 H new ATOM 0 HG22 THR 1 73 -2.870 -4.320 11.714 1.00 0.00 H new ATOM 0 HG23 THR 1 73 -2.246 -4.176 10.053 1.00 0.00 H new ATOM 1022 N GLY 1 74 -4.862 -0.446 8.918 1.00 0.00 N ATOM 1023 CA GLY 1 74 -5.133 0.907 8.466 1.00 0.00 C ATOM 1024 C GLY 1 74 -3.922 1.815 8.564 1.00 0.00 C ATOM 1025 O GLY 1 74 -4.060 3.035 8.650 1.00 0.00 O ATOM 0 H GLY 1 74 -5.113 -1.177 8.253 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 -5.476 0.877 7.432 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 -5.945 1.327 9.059 1.00 0.00 H new ATOM 1029 N LYS 1 75 -2.731 1.222 8.555 1.00 0.00 N ATOM 1030 CA LYS 1 75 -1.497 1.994 8.648 1.00 0.00 C ATOM 1031 C LYS 1 75 -0.460 1.530 7.625 1.00 0.00 C ATOM 1032 O LYS 1 75 0.679 1.996 7.636 1.00 0.00 O ATOM 1033 CB LYS 1 75 -0.913 1.888 10.058 1.00 0.00 C ATOM 1034 CG LYS 1 75 -1.943 2.076 11.160 1.00 0.00 C ATOM 1035 CD LYS 1 75 -1.471 3.076 12.203 1.00 0.00 C ATOM 1036 CE LYS 1 75 -2.213 2.902 13.518 1.00 0.00 C ATOM 1037 NZ LYS 1 75 -2.253 1.477 13.950 1.00 0.00 N ATOM 0 H LYS 1 75 -2.595 0.214 8.485 1.00 0.00 H new ATOM 0 HA LYS 1 75 -1.744 3.033 8.431 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 -0.443 0.912 10.175 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 -0.128 2.636 10.174 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 -2.882 2.418 10.726 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 -2.143 1.117 11.639 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 -0.401 2.952 12.369 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 -1.621 4.089 11.831 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 -1.730 3.502 14.289 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 -3.231 3.278 13.413 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 -2.297 1.430 14.988 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 -3.093 1.015 13.546 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 -1.397 0.989 13.618 1.00 0.00 H new ATOM 1051 N SER 1 76 -0.851 0.613 6.742 1.00 0.00 N ATOM 1052 CA SER 1 76 0.063 0.105 5.725 1.00 0.00 C ATOM 1053 C SER 1 76 -0.662 -0.796 4.730 1.00 0.00 C ATOM 1054 O SER 1 76 -1.816 -1.169 4.937 1.00 0.00 O ATOM 1055 CB SER 1 76 1.210 -0.664 6.382 1.00 0.00 C ATOM 1056 OG SER 1 76 2.250 -0.920 5.453 1.00 0.00 O ATOM 0 H SER 1 76 -1.788 0.210 6.711 1.00 0.00 H new ATOM 0 HA SER 1 76 0.466 0.959 5.181 1.00 0.00 H new ATOM 0 HB2 SER 1 76 1.602 -0.091 7.223 1.00 0.00 H new ATOM 0 HB3 SER 1 76 0.837 -1.606 6.784 1.00 0.00 H new ATOM 0 HG SER 1 76 2.180 -1.842 5.130 1.00 0.00 H new ATOM 1062 N SER 1 77 0.031 -1.143 3.648 1.00 0.00 N ATOM 1063 CA SER 1 77 -0.534 -2.005 2.614 1.00 0.00 C ATOM 1064 C SER 1 77 -0.305 -3.481 2.940 1.00 0.00 C ATOM 1065 O SER 1 77 -0.513 -4.349 2.092 1.00 0.00 O ATOM 1066 CB SER 1 77 0.080 -1.671 1.251 1.00 0.00 C ATOM 1067 OG SER 1 77 1.060 -0.653 1.365 1.00 0.00 O ATOM 0 H SER 1 77 0.987 -0.839 3.465 1.00 0.00 H new ATOM 0 HA SER 1 77 -1.608 -1.825 2.578 1.00 0.00 H new ATOM 0 HB2 SER 1 77 0.530 -2.567 0.823 1.00 0.00 H new ATOM 0 HB3 SER 1 77 -0.704 -1.350 0.565 1.00 0.00 H new ATOM 0 HG SER 1 77 0.637 0.176 1.672 1.00 0.00 H new ATOM 1073 N ASP 1 78 0.123 -3.760 4.169 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.378 -5.131 4.594 1.00 0.00 C ATOM 1075 C ASP 1 78 -0.666 -5.599 5.602 1.00 0.00 C ATOM 1076 O ASP 1 78 -0.990 -4.888 6.554 1.00 0.00 O ATOM 1077 CB ASP 1 78 1.777 -5.245 5.202 1.00 0.00 C ATOM 1078 CG ASP 1 78 2.868 -4.882 4.215 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 2.941 -3.700 3.818 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 3.651 -5.779 3.838 1.00 0.00 O ATOM 0 H ASP 1 78 0.300 -3.056 4.885 1.00 0.00 H new ATOM 0 HA ASP 1 78 0.315 -5.772 3.715 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 1.846 -4.592 6.072 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 1.935 -6.264 5.555 1.00 0.00 H new ATOM 1085 N CYS 1 79 -1.185 -6.802 5.386 1.00 0.00 N ATOM 1086 CA CYS 1 79 -2.190 -7.379 6.271 1.00 0.00 C ATOM 1087 C CYS 1 79 -1.602 -8.558 7.049 1.00 0.00 C ATOM 1088 O CYS 1 79 -1.479 -9.660 6.515 1.00 0.00 O ATOM 1089 CB CYS 1 79 -3.403 -7.836 5.458 1.00 0.00 C ATOM 1090 SG CYS 1 79 -4.947 -6.968 5.885 1.00 0.00 S ATOM 0 H CYS 1 79 -0.925 -7.400 4.601 1.00 0.00 H new ATOM 0 HA CYS 1 79 -2.508 -6.617 6.983 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -3.195 -7.687 4.398 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.546 -8.906 5.607 1.00 0.00 H new ATOM 1095 N PRO 1 80 -1.220 -8.344 8.322 1.00 0.00 N ATOM 1096 CA PRO 1 80 -0.635 -9.400 9.160 1.00 0.00 C ATOM 1097 C PRO 1 80 -1.633 -10.502 9.509 1.00 0.00 C ATOM 1098 O PRO 1 80 -2.734 -10.228 9.986 1.00 0.00 O ATOM 1099 CB PRO 1 80 -0.202 -8.653 10.425 1.00 0.00 C ATOM 1100 CG PRO 1 80 -1.076 -7.449 10.473 1.00 0.00 C ATOM 1101 CD PRO 1 80 -1.317 -7.060 9.042 1.00 0.00 C ATOM 0 HA PRO 1 80 0.179 -9.913 8.647 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 -0.331 -9.271 11.313 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 0.851 -8.376 10.380 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -2.015 -7.667 10.982 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 -0.596 -6.639 11.023 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 -2.295 -6.597 8.910 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 -0.575 -6.344 8.689 1.00 0.00 H new ATOM 1109 N TRP 1 81 -1.233 -11.749 9.266 1.00 0.00 N ATOM 1110 CA TRP 1 81 -2.083 -12.910 9.550 1.00 0.00 C ATOM 1111 C TRP 1 81 -1.774 -13.537 10.905 1.00 0.00 C ATOM 1112 O TRP 1 81 -2.554 -14.333 11.428 1.00 0.00 O ATOM 1113 CB TRP 1 81 -1.950 -13.959 8.448 1.00 0.00 C ATOM 1114 CG TRP 1 81 -0.570 -14.523 8.276 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 0.618 -13.996 8.702 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 -0.249 -15.740 7.608 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 1.655 -14.813 8.324 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 1.145 -15.892 7.651 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -1.016 -16.713 6.976 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 1.788 -16.984 7.080 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 -0.380 -17.800 6.409 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 1.012 -17.927 6.463 1.00 0.00 C ATOM 0 H TRP 1 81 -0.322 -11.984 8.872 1.00 0.00 H new ATOM 0 HA TRP 1 81 -3.111 -12.548 9.581 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -2.637 -14.778 8.661 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -2.266 -13.515 7.504 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 0.725 -13.074 9.254 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 2.643 -14.644 8.513 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -2.091 -16.620 6.929 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 2.862 -17.085 7.122 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 -0.966 -18.563 5.917 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 1.483 -18.786 6.009 1.00 0.00 H new ATOM 1133 N ASN 1 82 -0.638 -13.170 11.464 1.00 0.00 N ATOM 1134 CA ASN 1 82 -0.210 -13.682 12.762 1.00 0.00 C ATOM 1135 C ASN 1 82 -0.031 -15.197 12.724 1.00 0.00 C ATOM 1136 O ASN 1 82 -0.366 -15.895 13.681 1.00 0.00 O ATOM 1137 CB ASN 1 82 -1.225 -13.304 13.842 1.00 0.00 C ATOM 1138 CG ASN 1 82 -1.281 -11.809 14.085 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -0.749 -11.021 13.304 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -1.928 -11.410 15.175 1.00 0.00 N ATOM 0 H ASN 1 82 0.015 -12.512 11.039 1.00 0.00 H new ATOM 0 HA ASN 1 82 0.752 -13.229 13.001 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -2.213 -13.659 13.548 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -0.968 -13.811 14.772 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -1.998 -10.416 15.391 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -2.355 -12.098 15.795 1.00 0.00 H new ATOM 1147 N HIS 1 83 0.501 -15.698 11.614 1.00 0.00 N ATOM 1148 CA HIS 1 83 0.724 -17.130 11.451 1.00 0.00 C ATOM 1149 C HIS 1 83 2.133 -17.409 10.939 1.00 0.00 C ATOM 1150 O HIS 1 83 2.622 -16.625 10.099 1.00 0.00 O ATOM 1151 CB HIS 1 83 -0.308 -17.717 10.488 1.00 0.00 C ATOM 1152 CG HIS 1 83 -1.713 -17.326 10.820 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -2.664 -17.038 9.863 1.00 0.00 N ATOM 1154 CD2 HIS 1 83 -2.326 -17.169 12.015 1.00 0.00 C ATOM 1155 CE1 HIS 1 83 -3.800 -16.719 10.459 1.00 0.00 C ATOM 1156 NE2 HIS 1 83 -3.619 -16.792 11.763 1.00 0.00 N ATOM 1157 OXT HIS 1 83 2.737 -18.408 11.384 1.00 0.00 O ATOM 0 H HIS 1 83 0.786 -15.133 10.814 1.00 0.00 H new ATOM 0 HA HIS 1 83 0.614 -17.604 12.426 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 -0.077 -17.390 9.474 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 -0.228 -18.804 10.498 1.00 0.00 H new ATOM 0 HD1 HIS 1 83 -2.514 -17.067 8.854 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -1.879 -17.314 12.988 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -4.719 -16.445 9.963 1.00 0.00 H new TER 1166 HIS 1 83