USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 526 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 :FLIP amide:sc= -0.794 F(o=-10,f=-6.5) USER MOD Set 1.2: 1 83 HIS : no HE2:sc= -5.68 K(o=-6.5,f=-9.7!) USER MOD Set 2.1: 1 25 GLN : amide:sc= -0.128 K(o=-4.2,f=-7!) USER MOD Set 2.2: 1 30 ASN :FLIP amide:sc= -2.25! C(o=-8.4!,f=-4.2!) USER MOD Set 2.3: 1 33 THR OG1 : rot 170:sc= -1.81! USER MOD Set 3.1: 1 20 SER OG : rot 6:sc= 1.02 USER MOD Set 3.2: 1 23 ASN :FLIP amide:sc= -0.647 F(o=-2,f=0.37) USER MOD Single : 1 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 12 GLN :FLIP amide:sc= -3.55! C(o=-4.8!,f=-3.5!) USER MOD Single : 1 35 LYS NZ :NH3+ -167:sc= 0.00348 (180deg=0) USER MOD Single : 1 37 THR OG1 : rot -36:sc= -3.44! USER MOD Single : 1 40 SER OG : rot 126:sc= 0.889 USER MOD Single : 1 41 GLN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : 1 43 ASN : amide:sc= -3.49 K(o=-3.5,f=-8.9!) USER MOD Single : 1 44 TYR OH : rot 180:sc= 0 USER MOD Single : 1 50 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.012) USER MOD Single : 1 54 LYS NZ :NH3+ -130:sc= 1.57 (180deg=0.979) USER MOD Single : 1 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 58 THR OG1 : rot 77:sc= 1.04 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+ -165:sc= -0.171 (180deg=-0.625) USER MOD Single : 1 76 SER OG : rot 180:sc= 0 USER MOD Single : 1 77 SER OG : rot 180:sc= 0.0745 USER MOD Single : 1 82 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD ----------------------------------------------------------------- ATOM 42 N VAL 1 4 -1.871 17.526 11.669 1.00 0.00 N ATOM 43 CA VAL 1 4 -1.689 16.661 10.539 1.00 0.00 C ATOM 44 C VAL 1 4 -0.415 17.045 9.800 1.00 0.00 C ATOM 45 O VAL 1 4 -0.432 17.898 8.913 1.00 0.00 O ATOM 46 CB VAL 1 4 -2.897 16.738 9.574 1.00 0.00 C ATOM 47 CG1 VAL 1 4 -3.242 15.361 9.047 1.00 0.00 C ATOM 48 CG2 VAL 1 4 -4.119 17.357 10.241 1.00 0.00 C ATOM 0 HA VAL 1 4 -1.610 15.637 10.903 1.00 0.00 H new ATOM 0 HB VAL 1 4 -2.606 17.382 8.744 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 -4.093 15.433 8.370 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 -2.386 14.952 8.511 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 -3.496 14.706 9.880 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 -4.944 17.392 9.529 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 -4.408 16.754 11.102 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 -3.881 18.368 10.570 1.00 0.00 H new ATOM 58 N CYS 1 5 0.694 16.422 10.183 1.00 0.00 N ATOM 59 CA CYS 1 5 1.979 16.727 9.552 1.00 0.00 C ATOM 60 C CYS 1 5 1.954 16.259 8.105 1.00 0.00 C ATOM 61 O CYS 1 5 2.165 15.082 7.811 1.00 0.00 O ATOM 62 CB CYS 1 5 3.171 16.072 10.290 1.00 0.00 C ATOM 63 SG CYS 1 5 2.771 15.200 11.848 1.00 0.00 S ATOM 0 H CYS 1 5 0.734 15.713 10.915 1.00 0.00 H new ATOM 0 HA CYS 1 5 2.122 17.806 9.602 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 3.647 15.363 9.612 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 3.906 16.846 10.509 1.00 0.00 H new ATOM 68 N GLY 1 6 1.669 17.197 7.207 1.00 0.00 N ATOM 69 CA GLY 1 6 1.588 16.881 5.796 1.00 0.00 C ATOM 70 C GLY 1 6 0.153 16.677 5.338 1.00 0.00 C ATOM 71 O GLY 1 6 -0.089 16.140 4.257 1.00 0.00 O ATOM 0 H GLY 1 6 1.492 18.175 7.435 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 2.042 17.686 5.218 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 2.165 15.979 5.593 1.00 0.00 H new ATOM 75 N ASN 1 7 -0.802 17.102 6.168 1.00 0.00 N ATOM 76 CA ASN 1 7 -2.221 16.957 5.851 1.00 0.00 C ATOM 77 C ASN 1 7 -2.596 15.487 5.739 1.00 0.00 C ATOM 78 O ASN 1 7 -1.877 14.704 5.118 1.00 0.00 O ATOM 79 CB ASN 1 7 -2.559 17.676 4.541 1.00 0.00 C ATOM 80 CG ASN 1 7 -3.079 19.082 4.770 1.00 0.00 C ATOM 81 OD1 ASN 1 7 -4.283 19.329 4.711 1.00 0.00 O ATOM 82 ND2 ASN 1 7 -2.169 20.013 5.034 1.00 0.00 N ATOM 0 H ASN 1 7 -0.616 17.550 7.065 1.00 0.00 H new ATOM 0 HA ASN 1 7 -2.794 17.409 6.660 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 -1.669 17.719 3.913 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 -3.306 17.100 3.996 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 -2.459 20.977 5.197 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 -1.181 19.764 5.073 1.00 0.00 H new ATOM 89 N LYS 1 8 -3.724 15.111 6.339 1.00 0.00 N ATOM 90 CA LYS 1 8 -4.180 13.726 6.292 1.00 0.00 C ATOM 91 C LYS 1 8 -4.093 13.218 4.865 1.00 0.00 C ATOM 92 O LYS 1 8 -4.919 13.577 4.026 1.00 0.00 O ATOM 93 CB LYS 1 8 -5.616 13.614 6.807 1.00 0.00 C ATOM 94 CG LYS 1 8 -5.940 12.260 7.418 1.00 0.00 C ATOM 95 CD LYS 1 8 -6.516 11.306 6.384 1.00 0.00 C ATOM 96 CE LYS 1 8 -7.959 11.650 6.052 1.00 0.00 C ATOM 97 NZ LYS 1 8 -8.496 10.795 4.957 1.00 0.00 N ATOM 0 H LYS 1 8 -4.334 15.742 6.859 1.00 0.00 H new ATOM 0 HA LYS 1 8 -3.542 13.119 6.934 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 -5.787 14.390 7.553 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 -6.304 13.806 5.984 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 -5.037 11.829 7.849 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 -6.652 12.388 8.233 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 -5.914 11.344 5.476 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 -6.462 10.284 6.760 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 -8.575 11.529 6.943 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 -8.024 12.698 5.760 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 -9.482 11.061 4.761 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 -7.924 10.930 4.099 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 -8.458 9.797 5.246 1.00 0.00 H new ATOM 111 N ILE 1 9 -3.064 12.421 4.576 1.00 0.00 N ATOM 112 CA ILE 1 9 -2.874 11.924 3.210 1.00 0.00 C ATOM 113 C ILE 1 9 -4.191 11.527 2.571 1.00 0.00 C ATOM 114 O ILE 1 9 -5.119 11.075 3.241 1.00 0.00 O ATOM 115 CB ILE 1 9 -1.884 10.748 3.089 1.00 0.00 C ATOM 116 CG1 ILE 1 9 -2.410 9.491 3.797 1.00 0.00 C ATOM 117 CG2 ILE 1 9 -0.516 11.159 3.596 1.00 0.00 C ATOM 118 CD1 ILE 1 9 -1.686 9.138 5.079 1.00 0.00 C ATOM 0 H ILE 1 9 -2.364 12.111 5.250 1.00 0.00 H new ATOM 0 HA ILE 1 9 -2.436 12.768 2.678 1.00 0.00 H new ATOM 0 HB ILE 1 9 -1.785 10.488 2.035 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 -3.468 9.632 4.020 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 -2.338 8.647 3.111 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 0.173 10.319 3.505 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 -0.146 11.998 3.006 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 -0.590 11.456 4.642 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 -2.125 8.238 5.509 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 -0.632 8.961 4.865 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 -1.779 9.961 5.788 1.00 0.00 H new ATOM 130 N LEU 1 10 -4.258 11.727 1.271 1.00 0.00 N ATOM 131 CA LEU 1 10 -5.450 11.426 0.506 1.00 0.00 C ATOM 132 C LEU 1 10 -5.278 10.133 -0.280 1.00 0.00 C ATOM 133 O LEU 1 10 -5.994 9.889 -1.251 1.00 0.00 O ATOM 134 CB LEU 1 10 -5.740 12.592 -0.437 1.00 0.00 C ATOM 135 CG LEU 1 10 -4.515 13.113 -1.195 1.00 0.00 C ATOM 136 CD1 LEU 1 10 -4.925 13.723 -2.526 1.00 0.00 C ATOM 137 CD2 LEU 1 10 -3.747 14.124 -0.348 1.00 0.00 C ATOM 0 H LEU 1 10 -3.489 12.102 0.716 1.00 0.00 H new ATOM 0 HA LEU 1 10 -6.290 11.288 1.187 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 -6.494 12.280 -1.160 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 -6.171 13.411 0.139 1.00 0.00 H new ATOM 0 HG LEU 1 10 -3.855 12.270 -1.398 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 -4.040 14.087 -3.048 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 -5.420 12.967 -3.135 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 -5.609 14.553 -2.350 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 -2.881 14.482 -0.905 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 -4.397 14.966 -0.108 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 -3.414 13.648 0.574 1.00 0.00 H new ATOM 149 N GLU 1 11 -4.322 9.307 0.152 1.00 0.00 N ATOM 150 CA GLU 1 11 -4.043 8.029 -0.505 1.00 0.00 C ATOM 151 C GLU 1 11 -2.663 7.492 -0.139 1.00 0.00 C ATOM 152 O GLU 1 11 -2.394 6.300 -0.291 1.00 0.00 O ATOM 153 CB GLU 1 11 -4.123 8.169 -2.026 1.00 0.00 C ATOM 154 CG GLU 1 11 -3.469 9.434 -2.563 1.00 0.00 C ATOM 155 CD GLU 1 11 -4.326 10.140 -3.595 1.00 0.00 C ATOM 156 OE1 GLU 1 11 -4.265 9.755 -4.782 1.00 0.00 O ATOM 157 OE2 GLU 1 11 -5.058 11.079 -3.218 1.00 0.00 O ATOM 0 H GLU 1 11 -3.727 9.502 0.957 1.00 0.00 H new ATOM 0 HA GLU 1 11 -4.801 7.328 -0.155 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 -3.648 7.303 -2.486 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 -5.170 8.157 -2.328 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 -3.269 10.115 -1.735 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 -2.506 9.181 -3.007 1.00 0.00 H new ATOM 164 N GLN 1 12 -1.782 8.373 0.317 1.00 0.00 N ATOM 165 CA GLN 1 12 -0.429 7.978 0.670 1.00 0.00 C ATOM 166 C GLN 1 12 -0.422 6.896 1.751 1.00 0.00 C ATOM 167 O GLN 1 12 -0.386 5.704 1.447 1.00 0.00 O ATOM 168 CB GLN 1 12 0.387 9.196 1.122 1.00 0.00 C ATOM 169 CG GLN 1 12 0.145 10.462 0.307 1.00 0.00 C ATOM 170 CD GLN 1 12 0.551 10.326 -1.150 1.00 0.00 C ATOM 171 OE1 GLN 1 12 -0.324 9.741 -1.960 1.00 0.00 O flip ATOM 172 NE2 GLN 1 12 1.636 10.752 -1.545 1.00 0.00 N flip ATOM 0 H GLN 1 12 -1.982 9.364 0.450 1.00 0.00 H new ATOM 0 HA GLN 1 12 0.035 7.557 -0.222 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 0.157 9.403 2.167 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 1.447 8.945 1.073 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 -0.912 10.723 0.359 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 0.699 11.286 0.756 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 2.279 11.195 -0.889 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 1.892 10.662 -2.528 1.00 0.00 H new ATOM 181 N GLY 1 13 -0.429 7.311 3.013 1.00 0.00 N ATOM 182 CA GLY 1 13 -0.389 6.358 4.105 1.00 0.00 C ATOM 183 C GLY 1 13 1.011 5.811 4.289 1.00 0.00 C ATOM 184 O GLY 1 13 1.217 4.806 4.969 1.00 0.00 O ATOM 0 H GLY 1 13 -0.462 8.290 3.299 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 -0.721 6.838 5.025 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 -1.081 5.540 3.905 1.00 0.00 H new ATOM 188 N GLU 1 14 1.969 6.492 3.658 1.00 0.00 N ATOM 189 CA GLU 1 14 3.383 6.118 3.700 1.00 0.00 C ATOM 190 C GLU 1 14 4.118 6.728 2.516 1.00 0.00 C ATOM 191 O GLU 1 14 5.343 6.852 2.527 1.00 0.00 O ATOM 192 CB GLU 1 14 3.557 4.595 3.686 1.00 0.00 C ATOM 193 CG GLU 1 14 3.970 4.017 5.028 1.00 0.00 C ATOM 194 CD GLU 1 14 4.201 2.520 4.969 1.00 0.00 C ATOM 195 OE1 GLU 1 14 4.648 2.030 3.911 1.00 0.00 O ATOM 196 OE2 GLU 1 14 3.934 1.838 5.980 1.00 0.00 O ATOM 0 H GLU 1 14 1.784 7.325 3.099 1.00 0.00 H new ATOM 0 HA GLU 1 14 3.804 6.502 4.629 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 2.620 4.134 3.374 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 4.306 4.330 2.940 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 4.882 4.509 5.367 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 3.198 4.233 5.766 1.00 0.00 H new ATOM 203 N ASP 1 15 3.359 7.116 1.500 1.00 0.00 N ATOM 204 CA ASP 1 15 3.927 7.722 0.312 1.00 0.00 C ATOM 205 C ASP 1 15 4.683 8.989 0.668 1.00 0.00 C ATOM 206 O ASP 1 15 5.856 9.143 0.328 1.00 0.00 O ATOM 207 CB ASP 1 15 2.814 8.046 -0.675 1.00 0.00 C ATOM 208 CG ASP 1 15 3.257 7.910 -2.120 1.00 0.00 C ATOM 209 OD1 ASP 1 15 3.783 8.898 -2.674 1.00 0.00 O ATOM 210 OD2 ASP 1 15 3.078 6.817 -2.696 1.00 0.00 O ATOM 0 H ASP 1 15 2.344 7.019 1.479 1.00 0.00 H new ATOM 0 HA ASP 1 15 4.625 7.018 -0.142 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 1.969 7.382 -0.494 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 2.464 9.063 -0.501 1.00 0.00 H new ATOM 215 N CYS 1 16 3.997 9.897 1.352 1.00 0.00 N ATOM 216 CA CYS 1 16 4.593 11.160 1.754 1.00 0.00 C ATOM 217 C CYS 1 16 3.531 12.110 2.302 1.00 0.00 C ATOM 218 O CYS 1 16 2.472 12.292 1.701 1.00 0.00 O ATOM 219 CB CYS 1 16 5.328 11.790 0.562 1.00 0.00 C ATOM 220 SG CYS 1 16 5.293 13.615 0.506 1.00 0.00 S ATOM 0 H CYS 1 16 3.025 9.779 1.639 1.00 0.00 H new ATOM 0 HA CYS 1 16 5.313 10.972 2.551 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 6.367 11.463 0.582 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 4.890 11.405 -0.359 1.00 0.00 H new ATOM 225 N ASP 1 17 3.836 12.714 3.446 1.00 0.00 N ATOM 226 CA ASP 1 17 2.939 13.658 4.102 1.00 0.00 C ATOM 227 C ASP 1 17 1.793 12.929 4.789 1.00 0.00 C ATOM 228 O ASP 1 17 0.639 13.344 4.692 1.00 0.00 O ATOM 229 CB ASP 1 17 2.399 14.688 3.097 1.00 0.00 C ATOM 230 CG ASP 1 17 3.007 16.063 3.297 1.00 0.00 C ATOM 231 OD1 ASP 1 17 4.178 16.138 3.723 1.00 0.00 O ATOM 232 OD2 ASP 1 17 2.310 17.064 3.028 1.00 0.00 O ATOM 0 H ASP 1 17 4.713 12.562 3.945 1.00 0.00 H new ATOM 0 HA ASP 1 17 3.510 14.190 4.863 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 2.606 14.346 2.083 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 1.316 14.755 3.196 1.00 0.00 H new ATOM 237 N CYS 1 18 2.125 11.840 5.491 1.00 0.00 N ATOM 238 CA CYS 1 18 1.128 11.042 6.206 1.00 0.00 C ATOM 239 C CYS 1 18 0.056 11.919 6.831 1.00 0.00 C ATOM 240 O CYS 1 18 -1.104 11.525 6.915 1.00 0.00 O ATOM 241 CB CYS 1 18 1.779 10.184 7.293 1.00 0.00 C ATOM 242 SG CYS 1 18 1.183 8.464 7.309 1.00 0.00 S ATOM 0 H CYS 1 18 3.080 11.492 5.578 1.00 0.00 H new ATOM 0 HA CYS 1 18 0.661 10.388 5.469 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 2.859 10.185 7.148 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 1.587 10.636 8.266 1.00 0.00 H new ATOM 247 N GLY 1 19 0.449 13.108 7.266 1.00 0.00 N ATOM 248 CA GLY 1 19 -0.500 14.006 7.877 1.00 0.00 C ATOM 249 C GLY 1 19 -1.055 13.454 9.164 1.00 0.00 C ATOM 250 O GLY 1 19 -0.787 13.990 10.234 1.00 0.00 O ATOM 0 H GLY 1 19 1.404 13.462 7.206 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 -0.018 14.964 8.072 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 -1.318 14.196 7.182 1.00 0.00 H new ATOM 254 N SER 1 20 -1.830 12.379 9.067 1.00 0.00 N ATOM 255 CA SER 1 20 -2.425 11.776 10.243 1.00 0.00 C ATOM 256 C SER 1 20 -1.367 11.523 11.304 1.00 0.00 C ATOM 257 O SER 1 20 -0.568 10.592 11.204 1.00 0.00 O ATOM 258 CB SER 1 20 -3.147 10.484 9.882 1.00 0.00 C ATOM 259 OG SER 1 20 -2.233 9.417 9.701 1.00 0.00 O ATOM 0 H SER 1 20 -2.057 11.913 8.189 1.00 0.00 H new ATOM 0 HA SER 1 20 -3.160 12.471 10.650 1.00 0.00 H new ATOM 0 HB2 SER 1 20 -3.856 10.229 10.670 1.00 0.00 H new ATOM 0 HB3 SER 1 20 -3.724 10.630 8.969 1.00 0.00 H new ATOM 0 HG SER 1 20 -1.330 9.716 9.937 1.00 0.00 H new ATOM 265 N PRO 1 21 -1.346 12.384 12.328 1.00 0.00 N ATOM 266 CA PRO 1 21 -0.377 12.302 13.418 1.00 0.00 C ATOM 267 C PRO 1 21 -0.351 10.930 14.076 1.00 0.00 C ATOM 268 O PRO 1 21 0.654 10.538 14.669 1.00 0.00 O ATOM 269 CB PRO 1 21 -0.849 13.374 14.401 1.00 0.00 C ATOM 270 CG PRO 1 21 -1.618 14.341 13.566 1.00 0.00 C ATOM 271 CD PRO 1 21 -2.265 13.524 12.484 1.00 0.00 C ATOM 0 HA PRO 1 21 0.643 12.456 13.067 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 -1.472 12.945 15.185 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 -0.006 13.859 14.893 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 -2.366 14.863 14.162 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 -0.961 15.101 13.142 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 -3.265 13.199 12.769 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 -2.366 14.090 11.558 1.00 0.00 H new ATOM 279 N ALA 1 22 -1.446 10.190 13.951 1.00 0.00 N ATOM 280 CA ALA 1 22 -1.517 8.851 14.518 1.00 0.00 C ATOM 281 C ALA 1 22 -0.419 7.969 13.927 1.00 0.00 C ATOM 282 O ALA 1 22 -0.044 6.950 14.505 1.00 0.00 O ATOM 283 CB ALA 1 22 -2.887 8.239 14.266 1.00 0.00 C ATOM 0 H ALA 1 22 -2.291 10.492 13.466 1.00 0.00 H new ATOM 0 HA ALA 1 22 -1.365 8.920 15.595 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 -2.923 7.238 14.696 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 -3.654 8.861 14.728 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 -3.067 8.179 13.193 1.00 0.00 H new ATOM 289 N ASN 1 23 0.090 8.379 12.765 1.00 0.00 N ATOM 290 CA ASN 1 23 1.145 7.644 12.080 1.00 0.00 C ATOM 291 C ASN 1 23 2.341 8.553 11.769 1.00 0.00 C ATOM 292 O ASN 1 23 3.304 8.128 11.132 1.00 0.00 O ATOM 293 CB ASN 1 23 0.597 7.043 10.784 1.00 0.00 C ATOM 294 CG ASN 1 23 -0.737 6.347 10.982 1.00 0.00 C ATOM 295 OD1 ASN 1 23 -0.885 5.655 12.106 1.00 0.00 O flip ATOM 296 ND2 ASN 1 23 -1.625 6.430 10.134 1.00 0.00 N flip ATOM 0 H ASN 1 23 -0.216 9.222 12.279 1.00 0.00 H new ATOM 0 HA ASN 1 23 1.488 6.845 12.737 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 0.484 7.833 10.041 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 1.319 6.330 10.385 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 -1.470 6.972 9.284 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 -2.516 5.957 10.281 1.00 0.00 H new ATOM 303 N CYS 1 24 2.269 9.807 12.218 1.00 0.00 N ATOM 304 CA CYS 1 24 3.337 10.778 11.985 1.00 0.00 C ATOM 305 C CYS 1 24 4.551 10.481 12.859 1.00 0.00 C ATOM 306 O CYS 1 24 4.607 10.884 14.021 1.00 0.00 O ATOM 307 CB CYS 1 24 2.814 12.194 12.258 1.00 0.00 C ATOM 308 SG CYS 1 24 3.961 13.548 11.829 1.00 0.00 S ATOM 0 H CYS 1 24 1.478 10.174 12.747 1.00 0.00 H new ATOM 0 HA CYS 1 24 3.652 10.705 10.944 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 1.888 12.335 11.701 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 2.565 12.273 13.316 1.00 0.00 H new ATOM 313 N GLN 1 25 5.521 9.774 12.288 1.00 0.00 N ATOM 314 CA GLN 1 25 6.739 9.420 13.007 1.00 0.00 C ATOM 315 C GLN 1 25 6.420 8.594 14.249 1.00 0.00 C ATOM 316 O GLN 1 25 6.630 9.043 15.377 1.00 0.00 O ATOM 317 CB GLN 1 25 7.508 10.684 13.401 1.00 0.00 C ATOM 318 CG GLN 1 25 8.385 11.234 12.288 1.00 0.00 C ATOM 319 CD GLN 1 25 9.768 10.612 12.275 1.00 0.00 C ATOM 320 OE1 GLN 1 25 10.194 9.998 13.252 1.00 0.00 O ATOM 321 NE2 GLN 1 25 10.476 10.769 11.163 1.00 0.00 N ATOM 0 H GLN 1 25 5.487 9.434 11.327 1.00 0.00 H new ATOM 0 HA GLN 1 25 7.360 8.817 12.345 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 6.797 11.452 13.705 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 8.131 10.465 14.268 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 7.901 11.056 11.328 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 8.477 12.314 12.403 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 10.083 11.286 10.377 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 11.413 10.373 11.095 1.00 0.00 H new ATOM 330 N ASP 1 26 5.911 7.384 14.037 1.00 0.00 N ATOM 331 CA ASP 1 26 5.564 6.497 15.143 1.00 0.00 C ATOM 332 C ASP 1 26 4.986 5.179 14.635 1.00 0.00 C ATOM 333 O ASP 1 26 5.233 4.121 15.214 1.00 0.00 O ATOM 334 CB ASP 1 26 4.560 7.178 16.076 1.00 0.00 C ATOM 335 CG ASP 1 26 4.834 6.878 17.537 1.00 0.00 C ATOM 336 OD1 ASP 1 26 5.235 5.736 17.844 1.00 0.00 O ATOM 337 OD2 ASP 1 26 4.648 7.786 18.374 1.00 0.00 O ATOM 0 H ASP 1 26 5.730 6.996 13.111 1.00 0.00 H new ATOM 0 HA ASP 1 26 6.479 6.280 15.695 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 4.593 8.256 15.917 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 3.552 6.849 15.823 1.00 0.00 H new ATOM 342 N ARG 1 27 4.209 5.248 13.559 1.00 0.00 N ATOM 343 CA ARG 1 27 3.592 4.055 12.989 1.00 0.00 C ATOM 344 C ARG 1 27 4.502 3.402 11.946 1.00 0.00 C ATOM 345 O ARG 1 27 5.324 2.549 12.281 1.00 0.00 O ATOM 346 CB ARG 1 27 2.228 4.403 12.381 1.00 0.00 C ATOM 347 CG ARG 1 27 1.543 3.228 11.699 1.00 0.00 C ATOM 348 CD ARG 1 27 0.390 2.693 12.533 1.00 0.00 C ATOM 349 NE ARG 1 27 0.857 1.987 13.724 1.00 0.00 N ATOM 350 CZ ARG 1 27 1.479 0.811 13.693 1.00 0.00 C ATOM 351 NH1 ARG 1 27 1.710 0.205 12.534 1.00 0.00 N ATOM 352 NH2 ARG 1 27 1.872 0.238 14.822 1.00 0.00 N ATOM 0 H ARG 1 27 3.992 6.114 13.065 1.00 0.00 H new ATOM 0 HA ARG 1 27 3.443 3.333 13.792 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 1.577 4.785 13.167 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 2.358 5.207 11.656 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 1.173 3.539 10.722 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 2.268 2.433 11.527 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 -0.256 3.519 12.831 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 -0.214 2.019 11.926 1.00 0.00 H new ATOM 0 HE ARG 1 27 0.697 2.421 14.633 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 1.410 0.641 11.662 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 2.187 -0.696 12.516 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 1.698 0.699 15.715 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 2.349 -0.663 14.797 1.00 0.00 H new ATOM 366 N CYS 1 28 4.351 3.796 10.683 1.00 0.00 N ATOM 367 CA CYS 1 28 5.161 3.234 9.609 1.00 0.00 C ATOM 368 C CYS 1 28 5.237 4.190 8.423 1.00 0.00 C ATOM 369 O CYS 1 28 5.464 3.768 7.290 1.00 0.00 O ATOM 370 CB CYS 1 28 4.577 1.892 9.160 1.00 0.00 C ATOM 371 SG CYS 1 28 5.691 0.897 8.115 1.00 0.00 S ATOM 0 H CYS 1 28 3.677 4.500 10.381 1.00 0.00 H new ATOM 0 HA CYS 1 28 6.171 3.080 9.989 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 4.312 1.311 10.044 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 3.653 2.077 8.612 1.00 0.00 H new ATOM 376 N CYS 1 29 5.051 5.478 8.688 1.00 0.00 N ATOM 377 CA CYS 1 29 5.099 6.490 7.637 1.00 0.00 C ATOM 378 C CYS 1 29 5.737 7.773 8.139 1.00 0.00 C ATOM 379 O CYS 1 29 5.896 7.977 9.343 1.00 0.00 O ATOM 380 CB CYS 1 29 3.692 6.783 7.125 1.00 0.00 C ATOM 381 SG CYS 1 29 2.584 7.477 8.389 1.00 0.00 S ATOM 0 H CYS 1 29 4.866 5.847 9.621 1.00 0.00 H new ATOM 0 HA CYS 1 29 5.708 6.098 6.823 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 3.757 7.480 6.289 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 3.256 5.862 6.739 1.00 0.00 H new ATOM 386 N ASN 1 30 6.102 8.634 7.201 1.00 0.00 N ATOM 387 CA ASN 1 30 6.727 9.902 7.526 1.00 0.00 C ATOM 388 C ASN 1 30 5.823 11.066 7.169 1.00 0.00 C ATOM 389 O ASN 1 30 5.839 11.565 6.044 1.00 0.00 O ATOM 390 CB ASN 1 30 8.061 10.033 6.798 1.00 0.00 C ATOM 391 CG ASN 1 30 9.191 9.322 7.520 1.00 0.00 C ATOM 392 OD1 ASN 1 30 9.271 9.507 8.834 1.00 0.00 O flip ATOM 393 ND2 ASN 1 30 9.985 8.613 6.902 1.00 0.00 N flip ATOM 0 H ASN 1 30 5.974 8.473 6.202 1.00 0.00 H new ATOM 0 HA ASN 1 30 6.902 9.926 8.602 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 7.964 9.625 5.792 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 8.310 11.089 6.691 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 9.888 8.498 5.893 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 10.740 8.141 7.399 1.00 0.00 H new ATOM 400 N ALA 1 31 5.064 11.514 8.153 1.00 0.00 N ATOM 401 CA ALA 1 31 4.177 12.653 7.970 1.00 0.00 C ATOM 402 C ALA 1 31 4.993 13.929 8.083 1.00 0.00 C ATOM 403 O ALA 1 31 4.633 14.971 7.535 1.00 0.00 O ATOM 404 CB ALA 1 31 3.047 12.637 8.993 1.00 0.00 C ATOM 0 H ALA 1 31 5.043 11.107 9.088 1.00 0.00 H new ATOM 0 HA ALA 1 31 3.718 12.600 6.983 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 2.399 13.499 8.833 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 2.467 11.721 8.880 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 3.466 12.679 9.998 1.00 0.00 H new ATOM 410 N ALA 1 32 6.118 13.817 8.784 1.00 0.00 N ATOM 411 CA ALA 1 32 7.030 14.933 8.965 1.00 0.00 C ATOM 412 C ALA 1 32 8.245 14.781 8.058 1.00 0.00 C ATOM 413 O ALA 1 32 9.142 15.624 8.059 1.00 0.00 O ATOM 414 CB ALA 1 32 7.470 15.018 10.417 1.00 0.00 C ATOM 0 H ALA 1 32 6.418 12.954 9.238 1.00 0.00 H new ATOM 0 HA ALA 1 32 6.510 15.853 8.698 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 8.153 15.858 10.542 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 6.597 15.163 11.054 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 7.975 14.094 10.699 1.00 0.00 H new ATOM 420 N THR 1 33 8.284 13.682 7.305 1.00 0.00 N ATOM 421 CA THR 1 33 9.407 13.405 6.424 1.00 0.00 C ATOM 422 C THR 1 33 8.963 13.127 4.990 1.00 0.00 C ATOM 423 O THR 1 33 9.779 12.773 4.140 1.00 0.00 O ATOM 424 CB THR 1 33 10.219 12.234 6.977 1.00 0.00 C ATOM 425 OG1 THR 1 33 9.779 11.879 8.279 1.00 0.00 O ATOM 426 CG2 THR 1 33 11.683 12.536 7.084 1.00 0.00 C ATOM 0 H THR 1 33 7.550 12.973 7.291 1.00 0.00 H new ATOM 0 HA THR 1 33 10.033 14.297 6.391 1.00 0.00 H new ATOM 0 HB THR 1 33 10.065 11.421 6.267 1.00 0.00 H new ATOM 0 HG1 THR 1 33 10.201 11.037 8.549 1.00 0.00 H new ATOM 0 HG21 THR 1 33 12.206 11.667 7.483 1.00 0.00 H new ATOM 0 HG22 THR 1 33 12.078 12.776 6.097 1.00 0.00 H new ATOM 0 HG23 THR 1 33 11.831 13.386 7.750 1.00 0.00 H new ATOM 434 N CYS 1 34 7.676 13.315 4.720 1.00 0.00 N ATOM 435 CA CYS 1 34 7.133 13.111 3.381 1.00 0.00 C ATOM 436 C CYS 1 34 7.661 11.823 2.738 1.00 0.00 C ATOM 437 O CYS 1 34 8.231 11.845 1.650 1.00 0.00 O ATOM 438 CB CYS 1 34 7.444 14.347 2.519 1.00 0.00 C ATOM 439 SG CYS 1 34 7.239 14.137 0.717 1.00 0.00 S ATOM 0 H CYS 1 34 6.987 13.609 5.412 1.00 0.00 H new ATOM 0 HA CYS 1 34 6.052 12.990 3.454 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 6.801 15.164 2.845 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 8.472 14.653 2.715 1.00 0.00 H new ATOM 444 N LYS 1 35 7.470 10.694 3.419 1.00 0.00 N ATOM 445 CA LYS 1 35 7.927 9.410 2.889 1.00 0.00 C ATOM 446 C LYS 1 35 7.466 8.241 3.752 1.00 0.00 C ATOM 447 O LYS 1 35 6.796 8.420 4.766 1.00 0.00 O ATOM 448 CB LYS 1 35 9.450 9.391 2.789 1.00 0.00 C ATOM 449 CG LYS 1 35 9.972 8.867 1.459 1.00 0.00 C ATOM 450 CD LYS 1 35 9.704 9.843 0.325 1.00 0.00 C ATOM 451 CE LYS 1 35 10.571 11.087 0.442 1.00 0.00 C ATOM 452 NZ LYS 1 35 10.221 12.107 -0.585 1.00 0.00 N ATOM 0 H LYS 1 35 7.008 10.641 4.327 1.00 0.00 H new ATOM 0 HA LYS 1 35 7.487 9.297 1.898 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 9.828 10.402 2.944 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 9.850 8.774 3.594 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 11.044 8.684 1.536 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 9.500 7.910 1.235 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 9.895 9.354 -0.630 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 8.652 10.130 0.331 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 10.455 11.518 1.436 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 11.620 10.810 0.336 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 10.963 12.835 -0.619 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 10.142 11.650 -1.516 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 9.313 12.550 -0.339 1.00 0.00 H new ATOM 466 N LEU 1 36 7.852 7.039 3.339 1.00 0.00 N ATOM 467 CA LEU 1 36 7.513 5.827 4.075 1.00 0.00 C ATOM 468 C LEU 1 36 8.642 5.492 5.046 1.00 0.00 C ATOM 469 O LEU 1 36 9.811 5.740 4.752 1.00 0.00 O ATOM 470 CB LEU 1 36 7.277 4.659 3.115 1.00 0.00 C ATOM 471 CG LEU 1 36 8.434 4.363 2.155 1.00 0.00 C ATOM 472 CD1 LEU 1 36 8.872 2.910 2.274 1.00 0.00 C ATOM 473 CD2 LEU 1 36 8.034 4.684 0.722 1.00 0.00 C ATOM 0 H LEU 1 36 8.402 6.878 2.495 1.00 0.00 H new ATOM 0 HA LEU 1 36 6.592 5.997 4.633 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 7.073 3.763 3.701 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 6.382 4.866 2.528 1.00 0.00 H new ATOM 0 HG LEU 1 36 9.277 4.998 2.428 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 9.694 2.720 1.584 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 9.201 2.711 3.294 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 8.035 2.256 2.029 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 8.868 4.468 0.054 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 7.175 4.075 0.439 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 7.772 5.739 0.645 1.00 0.00 H new ATOM 485 N THR 1 37 8.297 4.949 6.208 1.00 0.00 N ATOM 486 CA THR 1 37 9.305 4.615 7.210 1.00 0.00 C ATOM 487 C THR 1 37 10.217 3.485 6.748 1.00 0.00 C ATOM 488 O THR 1 37 9.817 2.624 5.964 1.00 0.00 O ATOM 489 CB THR 1 37 8.653 4.224 8.532 1.00 0.00 C ATOM 490 OG1 THR 1 37 7.657 3.240 8.331 1.00 0.00 O ATOM 491 CG2 THR 1 37 8.023 5.393 9.251 1.00 0.00 C ATOM 0 H THR 1 37 7.338 4.732 6.479 1.00 0.00 H new ATOM 0 HA THR 1 37 9.910 5.511 7.353 1.00 0.00 H new ATOM 0 HB THR 1 37 9.460 3.834 9.152 1.00 0.00 H new ATOM 0 HG1 THR 1 37 7.195 3.410 7.484 1.00 0.00 H new ATOM 0 HG21 THR 1 37 7.577 5.049 10.184 1.00 0.00 H new ATOM 0 HG22 THR 1 37 8.786 6.141 9.468 1.00 0.00 H new ATOM 0 HG23 THR 1 37 7.251 5.835 8.621 1.00 0.00 H new ATOM 499 N PRO 1 38 11.462 3.478 7.250 1.00 0.00 N ATOM 500 CA PRO 1 38 12.455 2.452 6.917 1.00 0.00 C ATOM 501 C PRO 1 38 11.884 1.039 6.982 1.00 0.00 C ATOM 502 O PRO 1 38 11.047 0.735 7.831 1.00 0.00 O ATOM 503 CB PRO 1 38 13.509 2.647 8.004 1.00 0.00 C ATOM 504 CG PRO 1 38 13.452 4.099 8.312 1.00 0.00 C ATOM 505 CD PRO 1 38 12.001 4.474 8.201 1.00 0.00 C ATOM 0 HA PRO 1 38 12.830 2.554 5.899 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 13.288 2.044 8.885 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 14.499 2.352 7.656 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 13.835 4.304 9.312 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 14.061 4.673 7.613 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 11.497 4.422 9.166 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 11.876 5.492 7.831 1.00 0.00 H new ATOM 513 N GLY 1 39 12.348 0.178 6.082 1.00 0.00 N ATOM 514 CA GLY 1 39 11.878 -1.195 6.059 1.00 0.00 C ATOM 515 C GLY 1 39 10.700 -1.398 5.126 1.00 0.00 C ATOM 516 O GLY 1 39 10.626 -2.404 4.422 1.00 0.00 O ATOM 0 H GLY 1 39 13.041 0.406 5.369 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 12.695 -1.849 5.753 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 11.592 -1.493 7.068 1.00 0.00 H new ATOM 520 N SER 1 40 9.775 -0.443 5.122 1.00 0.00 N ATOM 521 CA SER 1 40 8.594 -0.527 4.269 1.00 0.00 C ATOM 522 C SER 1 40 8.986 -0.717 2.807 1.00 0.00 C ATOM 523 O SER 1 40 9.732 0.084 2.244 1.00 0.00 O ATOM 524 CB SER 1 40 7.738 0.731 4.421 1.00 0.00 C ATOM 525 OG SER 1 40 6.741 0.794 3.416 1.00 0.00 O ATOM 0 H SER 1 40 9.820 0.397 5.699 1.00 0.00 H new ATOM 0 HA SER 1 40 8.013 -1.394 4.584 1.00 0.00 H new ATOM 0 HB2 SER 1 40 7.268 0.738 5.405 1.00 0.00 H new ATOM 0 HB3 SER 1 40 8.373 1.615 4.364 1.00 0.00 H new ATOM 0 HG SER 1 40 5.861 0.901 3.834 1.00 0.00 H new ATOM 531 N GLN 1 41 8.478 -1.784 2.197 1.00 0.00 N ATOM 532 CA GLN 1 41 8.775 -2.080 0.800 1.00 0.00 C ATOM 533 C GLN 1 41 8.047 -1.113 -0.125 1.00 0.00 C ATOM 534 O GLN 1 41 8.601 -0.660 -1.127 1.00 0.00 O ATOM 535 CB GLN 1 41 8.378 -3.520 0.463 1.00 0.00 C ATOM 536 CG GLN 1 41 9.534 -4.504 0.543 1.00 0.00 C ATOM 537 CD GLN 1 41 10.211 -4.718 -0.796 1.00 0.00 C ATOM 538 OE1 GLN 1 41 10.457 -3.629 -1.516 1.00 0.00 O flip ATOM 539 NE2 GLN 1 41 10.510 -5.849 -1.181 1.00 0.00 N flip ATOM 0 H GLN 1 41 7.859 -2.457 2.648 1.00 0.00 H new ATOM 0 HA GLN 1 41 9.848 -1.963 0.651 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 7.591 -3.840 1.146 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 7.958 -3.547 -0.542 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 10.267 -4.140 1.263 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 9.167 -5.460 0.918 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 10.303 -6.658 -0.596 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 10.965 -5.976 -2.085 1.00 0.00 H new ATOM 548 N CYS 1 42 6.802 -0.804 0.214 1.00 0.00 N ATOM 549 CA CYS 1 42 5.998 0.106 -0.590 1.00 0.00 C ATOM 550 C CYS 1 42 5.187 1.040 0.291 1.00 0.00 C ATOM 551 O CYS 1 42 4.799 0.686 1.404 1.00 0.00 O ATOM 552 CB CYS 1 42 5.066 -0.682 -1.506 1.00 0.00 C ATOM 553 SG CYS 1 42 4.045 -1.909 -0.633 1.00 0.00 S ATOM 0 H CYS 1 42 6.328 -1.170 1.040 1.00 0.00 H new ATOM 0 HA CYS 1 42 6.675 0.707 -1.197 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 4.412 0.015 -2.030 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 5.661 -1.191 -2.264 1.00 0.00 H new ATOM 558 N ASN 1 43 4.931 2.235 -0.220 1.00 0.00 N ATOM 559 CA ASN 1 43 4.160 3.226 0.513 1.00 0.00 C ATOM 560 C ASN 1 43 2.692 2.826 0.564 1.00 0.00 C ATOM 561 O ASN 1 43 2.004 3.061 1.557 1.00 0.00 O ATOM 562 CB ASN 1 43 4.301 4.601 -0.140 1.00 0.00 C ATOM 563 CG ASN 1 43 4.161 4.548 -1.649 1.00 0.00 C ATOM 564 OD1 ASN 1 43 3.212 3.967 -2.176 1.00 0.00 O ATOM 565 ND2 ASN 1 43 5.110 5.155 -2.353 1.00 0.00 N ATOM 0 H ASN 1 43 5.247 2.541 -1.140 1.00 0.00 H new ATOM 0 HA ASN 1 43 4.547 3.277 1.531 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 3.545 5.272 0.268 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 5.273 5.023 0.116 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 5.070 5.152 -3.372 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 5.879 5.625 -1.874 1.00 0.00 H new ATOM 572 N TYR 1 44 2.228 2.213 -0.517 1.00 0.00 N ATOM 573 CA TYR 1 44 0.843 1.763 -0.618 1.00 0.00 C ATOM 574 C TYR 1 44 0.587 1.137 -1.984 1.00 0.00 C ATOM 575 O TYR 1 44 1.438 1.196 -2.872 1.00 0.00 O ATOM 576 CB TYR 1 44 -0.129 2.926 -0.380 1.00 0.00 C ATOM 577 CG TYR 1 44 -0.099 3.986 -1.458 1.00 0.00 C ATOM 578 CD1 TYR 1 44 -0.614 3.730 -2.722 1.00 0.00 C ATOM 579 CD2 TYR 1 44 0.443 5.241 -1.213 1.00 0.00 C ATOM 580 CE1 TYR 1 44 -0.589 4.692 -3.710 1.00 0.00 C ATOM 581 CE2 TYR 1 44 0.471 6.209 -2.193 1.00 0.00 C ATOM 582 CZ TYR 1 44 -0.045 5.932 -3.442 1.00 0.00 C ATOM 583 OH TYR 1 44 -0.018 6.895 -4.424 1.00 0.00 O ATOM 0 H TYR 1 44 2.794 2.014 -1.342 1.00 0.00 H new ATOM 0 HA TYR 1 44 0.674 1.011 0.153 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 -1.141 2.529 -0.303 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 0.105 3.391 0.578 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 -1.041 2.761 -2.935 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 0.850 5.462 -0.237 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 -0.993 4.476 -4.688 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 0.895 7.180 -1.984 1.00 0.00 H new ATOM 0 HH TYR 1 44 0.397 7.710 -4.072 1.00 0.00 H new ATOM 593 N GLY 1 45 -0.586 0.537 -2.149 1.00 0.00 N ATOM 594 CA GLY 1 45 -0.922 -0.089 -3.412 1.00 0.00 C ATOM 595 C GLY 1 45 -1.683 -1.388 -3.235 1.00 0.00 C ATOM 596 O GLY 1 45 -1.856 -1.868 -2.114 1.00 0.00 O ATOM 0 H GLY 1 45 -1.309 0.473 -1.432 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -1.521 0.600 -4.007 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -0.007 -0.282 -3.972 1.00 0.00 H new ATOM 600 N GLU 1 46 -2.139 -1.955 -4.346 1.00 0.00 N ATOM 601 CA GLU 1 46 -2.890 -3.207 -4.321 1.00 0.00 C ATOM 602 C GLU 1 46 -2.139 -4.292 -3.555 1.00 0.00 C ATOM 603 O GLU 1 46 -2.727 -5.033 -2.768 1.00 0.00 O ATOM 604 CB GLU 1 46 -3.158 -3.682 -5.749 1.00 0.00 C ATOM 605 CG GLU 1 46 -4.399 -3.065 -6.374 1.00 0.00 C ATOM 606 CD GLU 1 46 -4.066 -2.020 -7.421 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -2.996 -1.387 -7.308 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -4.876 -1.836 -8.354 1.00 0.00 O ATOM 0 H GLU 1 46 -2.002 -1.567 -5.279 1.00 0.00 H new ATOM 0 HA GLU 1 46 -3.835 -3.020 -3.810 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -2.294 -3.446 -6.370 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -3.263 -4.767 -5.748 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -5.001 -3.851 -6.829 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -5.007 -2.610 -5.592 1.00 0.00 H new ATOM 615 N CYS 1 47 -0.840 -4.384 -3.804 1.00 0.00 N ATOM 616 CA CYS 1 47 0.000 -5.384 -3.155 1.00 0.00 C ATOM 617 C CYS 1 47 0.510 -4.901 -1.802 1.00 0.00 C ATOM 618 O CYS 1 47 0.933 -5.702 -0.970 1.00 0.00 O ATOM 619 CB CYS 1 47 1.190 -5.719 -4.053 1.00 0.00 C ATOM 620 SG CYS 1 47 0.878 -7.074 -5.224 1.00 0.00 S ATOM 0 H CYS 1 47 -0.342 -3.776 -4.454 1.00 0.00 H new ATOM 0 HA CYS 1 47 -0.610 -6.273 -2.990 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 1.471 -4.827 -4.613 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 2.041 -5.984 -3.426 1.00 0.00 H new ATOM 625 N CYS 1 48 0.490 -3.592 -1.591 1.00 0.00 N ATOM 626 CA CYS 1 48 0.975 -3.023 -0.343 1.00 0.00 C ATOM 627 C CYS 1 48 0.108 -3.426 0.842 1.00 0.00 C ATOM 628 O CYS 1 48 -1.118 -3.314 0.804 1.00 0.00 O ATOM 629 CB CYS 1 48 1.049 -1.501 -0.445 1.00 0.00 C ATOM 630 SG CYS 1 48 2.586 -0.793 0.227 1.00 0.00 S ATOM 0 H CYS 1 48 0.145 -2.908 -2.264 1.00 0.00 H new ATOM 0 HA CYS 1 48 1.975 -3.422 -0.172 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 0.954 -1.211 -1.491 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 0.199 -1.069 0.084 1.00 0.00 H new ATOM 635 N ASP 1 49 0.767 -3.885 1.900 1.00 0.00 N ATOM 636 CA ASP 1 49 0.085 -4.299 3.117 1.00 0.00 C ATOM 637 C ASP 1 49 0.880 -3.852 4.338 1.00 0.00 C ATOM 638 O ASP 1 49 1.904 -4.445 4.675 1.00 0.00 O ATOM 639 CB ASP 1 49 -0.099 -5.818 3.137 1.00 0.00 C ATOM 640 CG ASP 1 49 -1.413 -6.233 3.768 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -1.951 -5.457 4.586 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -1.906 -7.334 3.444 1.00 0.00 O ATOM 0 H ASP 1 49 1.782 -3.980 1.937 1.00 0.00 H new ATOM 0 HA ASP 1 49 -0.899 -3.830 3.142 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -0.052 -6.200 2.117 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 0.725 -6.274 3.687 1.00 0.00 H new ATOM 647 N GLN 1 50 0.406 -2.795 4.989 1.00 0.00 N ATOM 648 CA GLN 1 50 1.073 -2.253 6.169 1.00 0.00 C ATOM 649 C GLN 1 50 2.420 -1.635 5.798 1.00 0.00 C ATOM 650 O GLN 1 50 2.547 -0.413 5.711 1.00 0.00 O ATOM 651 CB GLN 1 50 1.263 -3.340 7.232 1.00 0.00 C ATOM 652 CG GLN 1 50 -0.041 -3.958 7.710 1.00 0.00 C ATOM 653 CD GLN 1 50 0.069 -4.544 9.103 1.00 0.00 C ATOM 654 OE1 GLN 1 50 -0.185 -5.731 9.311 1.00 0.00 O ATOM 655 NE2 GLN 1 50 0.447 -3.713 10.067 1.00 0.00 N ATOM 0 H GLN 1 50 -0.441 -2.295 4.719 1.00 0.00 H new ATOM 0 HA GLN 1 50 0.438 -1.470 6.583 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 1.901 -4.126 6.826 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 1.788 -2.913 8.087 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 -0.824 -3.199 7.700 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 -0.345 -4.740 7.014 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 0.647 -2.737 9.849 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 0.537 -4.051 11.025 1.00 0.00 H new ATOM 664 N CYS 1 51 3.424 -2.482 5.579 1.00 0.00 N ATOM 665 CA CYS 1 51 4.760 -2.013 5.217 1.00 0.00 C ATOM 666 C CYS 1 51 5.502 -3.073 4.405 1.00 0.00 C ATOM 667 O CYS 1 51 6.728 -3.161 4.458 1.00 0.00 O ATOM 668 CB CYS 1 51 5.575 -1.661 6.469 1.00 0.00 C ATOM 669 SG CYS 1 51 4.634 -0.804 7.776 1.00 0.00 S ATOM 0 H CYS 1 51 3.338 -3.496 5.646 1.00 0.00 H new ATOM 0 HA CYS 1 51 4.643 -1.116 4.609 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 5.993 -2.578 6.883 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 6.415 -1.033 6.174 1.00 0.00 H new ATOM 674 N ARG 1 52 4.752 -3.879 3.659 1.00 0.00 N ATOM 675 CA ARG 1 52 5.346 -4.933 2.842 1.00 0.00 C ATOM 676 C ARG 1 52 4.381 -5.389 1.752 1.00 0.00 C ATOM 677 O ARG 1 52 3.171 -5.187 1.857 1.00 0.00 O ATOM 678 CB ARG 1 52 5.741 -6.122 3.720 1.00 0.00 C ATOM 679 CG ARG 1 52 6.898 -6.936 3.161 1.00 0.00 C ATOM 680 CD ARG 1 52 8.194 -6.143 3.169 1.00 0.00 C ATOM 681 NE ARG 1 52 8.578 -5.735 4.518 1.00 0.00 N ATOM 682 CZ ARG 1 52 9.745 -5.168 4.818 1.00 0.00 C ATOM 683 NH1 ARG 1 52 10.644 -4.940 3.868 1.00 0.00 N ATOM 684 NH2 ARG 1 52 10.014 -4.827 6.071 1.00 0.00 N ATOM 0 H ARG 1 52 3.735 -3.823 3.603 1.00 0.00 H new ATOM 0 HA ARG 1 52 6.238 -4.529 2.364 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 6.010 -5.757 4.711 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 4.876 -6.774 3.844 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 7.023 -7.844 3.750 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 6.667 -7.246 2.142 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 8.990 -6.746 2.732 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 8.082 -5.259 2.541 1.00 0.00 H new ATOM 0 HE ARG 1 52 7.913 -5.894 5.275 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 10.443 -5.199 2.902 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 11.536 -4.505 4.104 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 9.327 -4.999 6.805 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 10.908 -4.393 6.301 1.00 0.00 H new ATOM 698 N PHE 1 53 4.923 -6.007 0.706 1.00 0.00 N ATOM 699 CA PHE 1 53 4.105 -6.491 -0.401 1.00 0.00 C ATOM 700 C PHE 1 53 3.318 -7.727 0.005 1.00 0.00 C ATOM 701 O PHE 1 53 3.756 -8.507 0.851 1.00 0.00 O ATOM 702 CB PHE 1 53 4.974 -6.818 -1.618 1.00 0.00 C ATOM 703 CG PHE 1 53 5.471 -5.604 -2.345 1.00 0.00 C ATOM 704 CD1 PHE 1 53 4.642 -4.513 -2.543 1.00 0.00 C ATOM 705 CD2 PHE 1 53 6.768 -5.553 -2.831 1.00 0.00 C ATOM 706 CE1 PHE 1 53 5.094 -3.395 -3.210 1.00 0.00 C ATOM 707 CE2 PHE 1 53 7.226 -4.435 -3.501 1.00 0.00 C ATOM 708 CZ PHE 1 53 6.388 -3.354 -3.691 1.00 0.00 C ATOM 0 H PHE 1 53 5.922 -6.184 0.602 1.00 0.00 H new ATOM 0 HA PHE 1 53 3.407 -5.697 -0.665 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 5.828 -7.413 -1.295 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 4.399 -7.435 -2.309 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 3.629 -4.538 -2.170 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 7.427 -6.396 -2.684 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 4.436 -2.551 -3.357 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 8.238 -4.406 -3.876 1.00 0.00 H new ATOM 0 HZ PHE 1 53 6.744 -2.479 -4.214 1.00 0.00 H new ATOM 718 N LYS 1 54 2.159 -7.905 -0.613 1.00 0.00 N ATOM 719 CA LYS 1 54 1.317 -9.056 -0.324 1.00 0.00 C ATOM 720 C LYS 1 54 1.926 -10.315 -0.929 1.00 0.00 C ATOM 721 O LYS 1 54 1.870 -10.518 -2.139 1.00 0.00 O ATOM 722 CB LYS 1 54 -0.095 -8.837 -0.872 1.00 0.00 C ATOM 723 CG LYS 1 54 -1.061 -8.264 0.152 1.00 0.00 C ATOM 724 CD LYS 1 54 -2.022 -7.271 -0.483 1.00 0.00 C ATOM 725 CE LYS 1 54 -2.272 -6.080 0.427 1.00 0.00 C ATOM 726 NZ LYS 1 54 -3.164 -5.072 -0.209 1.00 0.00 N ATOM 0 H LYS 1 54 1.782 -7.269 -1.315 1.00 0.00 H new ATOM 0 HA LYS 1 54 1.254 -9.178 0.757 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -0.044 -8.164 -1.728 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -0.486 -9.787 -1.237 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -1.626 -9.074 0.614 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -0.501 -7.772 0.947 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -1.615 -6.925 -1.433 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -2.967 -7.767 -0.703 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -2.720 -6.424 1.360 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -1.321 -5.613 0.683 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -2.732 -4.129 -0.132 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -3.298 -5.311 -1.212 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -4.086 -5.071 0.273 1.00 0.00 H new ATOM 740 N LYS 1 55 2.518 -11.152 -0.078 1.00 0.00 N ATOM 741 CA LYS 1 55 3.155 -12.395 -0.521 1.00 0.00 C ATOM 742 C LYS 1 55 2.458 -12.977 -1.745 1.00 0.00 C ATOM 743 O LYS 1 55 1.236 -13.152 -1.753 1.00 0.00 O ATOM 744 CB LYS 1 55 3.155 -13.421 0.614 1.00 0.00 C ATOM 745 CG LYS 1 55 3.857 -14.721 0.257 1.00 0.00 C ATOM 746 CD LYS 1 55 5.352 -14.636 0.516 1.00 0.00 C ATOM 747 CE LYS 1 55 5.923 -15.983 0.929 1.00 0.00 C ATOM 748 NZ LYS 1 55 5.899 -16.964 -0.191 1.00 0.00 N ATOM 0 H LYS 1 55 2.571 -10.992 0.928 1.00 0.00 H new ATOM 0 HA LYS 1 55 4.182 -12.160 -0.799 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 3.639 -12.984 1.488 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 2.125 -13.639 0.896 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 3.431 -15.538 0.840 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 3.681 -14.954 -0.793 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 5.859 -14.285 -0.383 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 5.546 -13.902 1.298 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 6.948 -15.852 1.275 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 5.351 -16.377 1.769 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 6.297 -17.869 0.132 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 4.918 -17.109 -0.505 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 6.466 -16.600 -0.984 1.00 0.00 H new ATOM 762 N ALA 1 56 3.241 -13.264 -2.786 1.00 0.00 N ATOM 763 CA ALA 1 56 2.698 -13.818 -4.017 1.00 0.00 C ATOM 764 C ALA 1 56 1.628 -14.849 -3.715 1.00 0.00 C ATOM 765 O ALA 1 56 1.799 -15.703 -2.844 1.00 0.00 O ATOM 766 CB ALA 1 56 3.788 -14.438 -4.866 1.00 0.00 C ATOM 0 H ALA 1 56 4.251 -13.121 -2.797 1.00 0.00 H new ATOM 0 HA ALA 1 56 2.250 -12.998 -4.578 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 3.352 -14.843 -5.779 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 4.526 -13.678 -5.123 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 4.272 -15.240 -4.308 1.00 0.00 H new ATOM 772 N GLY 1 57 0.519 -14.748 -4.418 1.00 0.00 N ATOM 773 CA GLY 1 57 -0.577 -15.664 -4.188 1.00 0.00 C ATOM 774 C GLY 1 57 -1.762 -14.956 -3.572 1.00 0.00 C ATOM 775 O GLY 1 57 -2.866 -15.498 -3.526 1.00 0.00 O ATOM 0 H GLY 1 57 0.354 -14.051 -5.144 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -0.874 -16.123 -5.131 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -0.249 -16.469 -3.531 1.00 0.00 H new ATOM 779 N THR 1 58 -1.533 -13.727 -3.110 1.00 0.00 N ATOM 780 CA THR 1 58 -2.591 -12.927 -2.518 1.00 0.00 C ATOM 781 C THR 1 58 -3.449 -12.314 -3.618 1.00 0.00 C ATOM 782 O THR 1 58 -2.953 -11.554 -4.449 1.00 0.00 O ATOM 783 CB THR 1 58 -2.002 -11.819 -1.647 1.00 0.00 C ATOM 784 OG1 THR 1 58 -1.212 -12.363 -0.605 1.00 0.00 O ATOM 785 CG2 THR 1 58 -3.061 -10.946 -1.017 1.00 0.00 C ATOM 0 H THR 1 58 -0.622 -13.269 -3.137 1.00 0.00 H new ATOM 0 HA THR 1 58 -3.207 -13.572 -1.892 1.00 0.00 H new ATOM 0 HB THR 1 58 -1.395 -11.209 -2.316 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -0.348 -12.652 -0.966 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -2.584 -10.177 -0.410 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -3.656 -10.474 -1.799 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -3.708 -11.556 -0.387 1.00 0.00 H new ATOM 793 N VAL 1 59 -4.732 -12.653 -3.632 1.00 0.00 N ATOM 794 CA VAL 1 59 -5.633 -12.134 -4.650 1.00 0.00 C ATOM 795 C VAL 1 59 -6.050 -10.697 -4.350 1.00 0.00 C ATOM 796 O VAL 1 59 -6.703 -10.429 -3.341 1.00 0.00 O ATOM 797 CB VAL 1 59 -6.899 -13.004 -4.788 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -7.660 -13.056 -3.472 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -7.791 -12.484 -5.907 1.00 0.00 C ATOM 0 H VAL 1 59 -5.168 -13.280 -2.956 1.00 0.00 H new ATOM 0 HA VAL 1 59 -5.080 -12.158 -5.589 1.00 0.00 H new ATOM 0 HB VAL 1 59 -6.590 -14.018 -5.044 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -8.550 -13.675 -3.590 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -7.021 -13.483 -2.699 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -7.955 -12.048 -3.182 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -8.678 -13.112 -5.987 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -8.091 -11.459 -5.687 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -7.244 -12.508 -6.849 1.00 0.00 H new ATOM 809 N CYS 1 60 -5.676 -9.778 -5.235 1.00 0.00 N ATOM 810 CA CYS 1 60 -6.023 -8.370 -5.061 1.00 0.00 C ATOM 811 C CYS 1 60 -7.211 -7.977 -5.939 1.00 0.00 C ATOM 812 O CYS 1 60 -7.935 -7.030 -5.631 1.00 0.00 O ATOM 813 CB CYS 1 60 -4.833 -7.473 -5.398 1.00 0.00 C ATOM 814 SG CYS 1 60 -3.266 -7.982 -4.627 1.00 0.00 S ATOM 0 H CYS 1 60 -5.135 -9.980 -6.076 1.00 0.00 H new ATOM 0 HA CYS 1 60 -6.297 -8.233 -4.015 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -4.702 -7.455 -6.480 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -5.062 -6.454 -5.087 1.00 0.00 H new ATOM 819 N ARG 1 61 -7.395 -8.697 -7.043 1.00 0.00 N ATOM 820 CA ARG 1 61 -8.484 -8.408 -7.975 1.00 0.00 C ATOM 821 C ARG 1 61 -9.021 -9.686 -8.618 1.00 0.00 C ATOM 822 O ARG 1 61 -8.573 -10.790 -8.310 1.00 0.00 O ATOM 823 CB ARG 1 61 -8.006 -7.438 -9.065 1.00 0.00 C ATOM 824 CG ARG 1 61 -8.904 -6.219 -9.235 1.00 0.00 C ATOM 825 CD ARG 1 61 -8.918 -5.700 -10.672 1.00 0.00 C ATOM 826 NE ARG 1 61 -7.664 -5.953 -11.388 1.00 0.00 N ATOM 827 CZ ARG 1 61 -6.481 -5.469 -11.016 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -6.382 -4.667 -9.963 1.00 0.00 N ATOM 829 NH2 ARG 1 61 -5.394 -5.777 -11.710 1.00 0.00 N ATOM 0 H ARG 1 61 -6.806 -9.484 -7.315 1.00 0.00 H new ATOM 0 HA ARG 1 61 -9.293 -7.946 -7.409 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -6.997 -7.104 -8.825 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -7.948 -7.971 -10.014 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -9.920 -6.475 -8.934 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -8.565 -5.426 -8.569 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -9.739 -6.169 -11.213 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -9.114 -4.628 -10.663 1.00 0.00 H new ATOM 0 HE ARG 1 61 -7.700 -6.537 -12.224 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -7.216 -4.417 -9.432 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 -5.472 -4.301 -9.685 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 -5.465 -6.384 -12.527 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 -4.486 -5.407 -11.427 1.00 0.00 H new ATOM 843 N ILE 1 62 -9.981 -9.518 -9.519 1.00 0.00 N ATOM 844 CA ILE 1 62 -10.584 -10.638 -10.226 1.00 0.00 C ATOM 845 C ILE 1 62 -11.649 -10.139 -11.187 1.00 0.00 C ATOM 846 O ILE 1 62 -12.460 -9.279 -10.844 1.00 0.00 O ATOM 847 CB ILE 1 62 -11.209 -11.664 -9.263 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -11.857 -12.813 -10.042 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -12.231 -10.992 -8.363 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -10.872 -13.627 -10.853 1.00 0.00 C ATOM 0 H ILE 1 62 -10.361 -8.607 -9.778 1.00 0.00 H new ATOM 0 HA ILE 1 62 -9.786 -11.135 -10.777 1.00 0.00 H new ATOM 0 HB ILE 1 62 -10.415 -12.077 -8.640 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -12.370 -13.472 -9.341 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -12.616 -12.405 -10.710 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -12.663 -11.731 -7.688 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -11.744 -10.210 -7.780 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -13.020 -10.552 -8.973 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -11.402 -14.422 -11.377 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -10.377 -12.981 -11.578 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -10.127 -14.064 -10.188 1.00 0.00 H new ATOM 862 N ALA 1 63 -11.635 -10.678 -12.394 1.00 0.00 N ATOM 863 CA ALA 1 63 -12.597 -10.279 -13.407 1.00 0.00 C ATOM 864 C ALA 1 63 -14.023 -10.639 -12.976 1.00 0.00 C ATOM 865 O ALA 1 63 -14.644 -9.896 -12.215 1.00 0.00 O ATOM 866 CB ALA 1 63 -12.231 -10.882 -14.759 1.00 0.00 C ATOM 0 H ALA 1 63 -10.971 -11.391 -12.696 1.00 0.00 H new ATOM 0 HA ALA 1 63 -12.563 -9.195 -13.517 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -12.962 -10.572 -15.505 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -11.241 -10.536 -15.056 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -12.228 -11.969 -14.683 1.00 0.00 H new ATOM 872 N ARG 1 64 -14.542 -11.774 -13.442 1.00 0.00 N ATOM 873 CA ARG 1 64 -15.889 -12.198 -13.068 1.00 0.00 C ATOM 874 C ARG 1 64 -15.959 -13.711 -12.881 1.00 0.00 C ATOM 875 O ARG 1 64 -16.319 -14.441 -13.802 1.00 0.00 O ATOM 876 CB ARG 1 64 -16.896 -11.759 -14.133 1.00 0.00 C ATOM 877 CG ARG 1 64 -17.468 -10.372 -13.893 1.00 0.00 C ATOM 878 CD ARG 1 64 -16.605 -9.295 -14.530 1.00 0.00 C ATOM 879 NE ARG 1 64 -17.123 -8.874 -15.829 1.00 0.00 N ATOM 880 CZ ARG 1 64 -18.236 -8.161 -15.988 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -18.949 -7.788 -14.932 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -18.637 -7.820 -17.205 1.00 0.00 N ATOM 0 H ARG 1 64 -14.055 -12.411 -14.073 1.00 0.00 H new ATOM 0 HA ARG 1 64 -16.139 -11.724 -12.119 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -16.412 -11.779 -15.109 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -17.713 -12.479 -14.167 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -18.478 -10.318 -14.300 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -17.546 -10.190 -12.821 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -16.551 -8.433 -13.865 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -15.588 -9.669 -14.649 1.00 0.00 H new ATOM 0 HE ARG 1 64 -16.601 -9.142 -16.664 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -18.645 -8.048 -13.994 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -19.801 -7.242 -15.059 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -18.093 -8.104 -18.020 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -19.490 -7.274 -17.327 1.00 0.00 H new ATOM 896 N GLY 1 65 -15.629 -14.180 -11.684 1.00 0.00 N ATOM 897 CA GLY 1 65 -15.672 -15.604 -11.417 1.00 0.00 C ATOM 898 C GLY 1 65 -14.355 -16.133 -10.897 1.00 0.00 C ATOM 899 O GLY 1 65 -14.006 -15.924 -9.735 1.00 0.00 O ATOM 0 H GLY 1 65 -15.334 -13.602 -10.897 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -16.456 -15.811 -10.689 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -15.938 -16.134 -12.331 1.00 0.00 H new ATOM 903 N ASP 1 66 -13.617 -16.815 -11.765 1.00 0.00 N ATOM 904 CA ASP 1 66 -12.323 -17.373 -11.394 1.00 0.00 C ATOM 905 C ASP 1 66 -11.700 -18.140 -12.555 1.00 0.00 C ATOM 906 O ASP 1 66 -11.943 -19.334 -12.732 1.00 0.00 O ATOM 907 CB ASP 1 66 -12.460 -18.288 -10.175 1.00 0.00 C ATOM 908 CG ASP 1 66 -13.565 -19.312 -10.342 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -14.724 -18.904 -10.570 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -13.273 -20.523 -10.244 1.00 0.00 O ATOM 0 H ASP 1 66 -13.893 -16.995 -12.730 1.00 0.00 H new ATOM 0 HA ASP 1 66 -11.665 -16.542 -11.140 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -11.515 -18.803 -10.002 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -12.660 -17.683 -9.291 1.00 0.00 H new ATOM 915 N TRP 1 67 -10.892 -17.438 -13.337 1.00 0.00 N ATOM 916 CA TRP 1 67 -10.214 -18.030 -14.486 1.00 0.00 C ATOM 917 C TRP 1 67 -8.707 -17.903 -14.329 1.00 0.00 C ATOM 918 O TRP 1 67 -7.995 -18.887 -14.129 1.00 0.00 O ATOM 919 CB TRP 1 67 -10.652 -17.335 -15.781 1.00 0.00 C ATOM 920 CG TRP 1 67 -11.531 -16.139 -15.558 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -11.189 -14.950 -14.968 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -12.906 -16.021 -15.921 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -12.271 -14.113 -14.938 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -13.336 -14.744 -15.522 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -13.814 -16.874 -16.546 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -14.635 -14.300 -15.729 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -15.107 -16.434 -16.753 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -15.508 -15.155 -16.346 1.00 0.00 C ATOM 0 H TRP 1 67 -10.688 -16.449 -13.196 1.00 0.00 H new ATOM 0 HA TRP 1 67 -10.484 -19.085 -14.538 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -9.765 -17.025 -16.334 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -11.183 -18.053 -16.406 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -10.209 -14.709 -14.583 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -12.282 -13.172 -14.544 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -13.512 -17.861 -16.863 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -14.946 -13.315 -15.414 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -15.820 -17.086 -17.236 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -16.525 -14.837 -16.522 1.00 0.00 H new ATOM 939 N ASN 1 68 -8.244 -16.667 -14.417 1.00 0.00 N ATOM 940 CA ASN 1 68 -6.831 -16.350 -14.284 1.00 0.00 C ATOM 941 C ASN 1 68 -6.567 -15.720 -12.927 1.00 0.00 C ATOM 942 O ASN 1 68 -5.486 -15.869 -12.358 1.00 0.00 O ATOM 943 CB ASN 1 68 -6.397 -15.380 -15.381 1.00 0.00 C ATOM 944 CG ASN 1 68 -7.132 -15.607 -16.691 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -8.394 -15.186 -16.746 1.00 0.00 O flip ATOM 946 ND2 ASN 1 68 -6.572 -16.152 -17.642 1.00 0.00 N flip ATOM 0 H ASN 1 68 -8.837 -15.854 -14.583 1.00 0.00 H new ATOM 0 HA ASN 1 68 -6.260 -17.274 -14.377 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -6.570 -14.358 -15.045 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -5.325 -15.484 -15.548 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -5.603 -16.459 -17.556 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -7.077 -16.297 -18.516 1.00 0.00 H new ATOM 953 N ASP 1 69 -7.572 -15.016 -12.418 1.00 0.00 N ATOM 954 CA ASP 1 69 -7.472 -14.359 -11.127 1.00 0.00 C ATOM 955 C ASP 1 69 -6.396 -13.292 -11.120 1.00 0.00 C ATOM 956 O ASP 1 69 -5.562 -13.216 -12.022 1.00 0.00 O ATOM 957 CB ASP 1 69 -7.152 -15.373 -10.042 1.00 0.00 C ATOM 958 CG ASP 1 69 -8.347 -16.230 -9.669 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -9.122 -15.814 -8.783 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -8.507 -17.316 -10.265 1.00 0.00 O ATOM 0 H ASP 1 69 -8.469 -14.887 -12.886 1.00 0.00 H new ATOM 0 HA ASP 1 69 -8.436 -13.888 -10.934 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -6.340 -16.017 -10.380 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -6.795 -14.849 -9.155 1.00 0.00 H new ATOM 965 N ASP 1 70 -6.409 -12.495 -10.066 1.00 0.00 N ATOM 966 CA ASP 1 70 -5.426 -11.449 -9.884 1.00 0.00 C ATOM 967 C ASP 1 70 -4.646 -11.730 -8.621 1.00 0.00 C ATOM 968 O ASP 1 70 -5.217 -11.785 -7.536 1.00 0.00 O ATOM 969 CB ASP 1 70 -6.096 -10.081 -9.803 1.00 0.00 C ATOM 970 CG ASP 1 70 -5.086 -8.955 -9.777 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -3.939 -9.202 -9.355 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -5.442 -7.827 -10.174 1.00 0.00 O ATOM 0 H ASP 1 70 -7.099 -12.556 -9.317 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.751 -11.435 -10.740 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -6.761 -9.952 -10.657 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -6.715 -10.033 -8.907 1.00 0.00 H new ATOM 977 N TYR 1 71 -3.349 -11.956 -8.763 1.00 0.00 N ATOM 978 CA TYR 1 71 -2.529 -12.288 -7.614 1.00 0.00 C ATOM 979 C TYR 1 71 -1.245 -11.488 -7.541 1.00 0.00 C ATOM 980 O TYR 1 71 -0.614 -11.192 -8.554 1.00 0.00 O ATOM 981 CB TYR 1 71 -2.190 -13.766 -7.653 1.00 0.00 C ATOM 982 CG TYR 1 71 -3.351 -14.643 -7.288 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -3.741 -14.759 -5.971 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -4.050 -15.354 -8.253 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -4.795 -15.560 -5.606 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -5.112 -16.160 -7.906 1.00 0.00 C ATOM 987 CZ TYR 1 71 -5.484 -16.264 -6.577 1.00 0.00 C ATOM 988 OH TYR 1 71 -6.542 -17.069 -6.221 1.00 0.00 O ATOM 0 H TYR 1 71 -2.849 -11.916 -9.651 1.00 0.00 H new ATOM 0 HA TYR 1 71 -3.112 -12.038 -6.727 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -1.844 -14.028 -8.653 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -1.364 -13.962 -6.969 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -3.207 -14.209 -5.211 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -3.758 -15.274 -9.290 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -5.084 -15.640 -4.568 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -5.651 -16.707 -8.666 1.00 0.00 H new ATOM 0 HH TYR 1 71 -6.916 -17.491 -7.022 1.00 0.00 H new ATOM 998 N CYS 1 72 -0.858 -11.170 -6.314 1.00 0.00 N ATOM 999 CA CYS 1 72 0.364 -10.432 -6.064 1.00 0.00 C ATOM 1000 C CYS 1 72 1.576 -11.293 -6.405 1.00 0.00 C ATOM 1001 O CYS 1 72 1.462 -12.514 -6.526 1.00 0.00 O ATOM 1002 CB CYS 1 72 0.421 -10.000 -4.602 1.00 0.00 C ATOM 1003 SG CYS 1 72 1.639 -8.690 -4.268 1.00 0.00 S ATOM 0 H CYS 1 72 -1.380 -11.415 -5.473 1.00 0.00 H new ATOM 0 HA CYS 1 72 0.377 -9.544 -6.696 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -0.566 -9.651 -4.297 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 0.657 -10.868 -3.986 1.00 0.00 H new ATOM 1008 N THR 1 73 2.730 -10.656 -6.563 1.00 0.00 N ATOM 1009 CA THR 1 73 3.956 -11.374 -6.894 1.00 0.00 C ATOM 1010 C THR 1 73 5.042 -11.137 -5.845 1.00 0.00 C ATOM 1011 O THR 1 73 6.198 -11.513 -6.042 1.00 0.00 O ATOM 1012 CB THR 1 73 4.461 -10.946 -8.273 1.00 0.00 C ATOM 1013 OG1 THR 1 73 5.152 -9.712 -8.193 1.00 0.00 O ATOM 1014 CG2 THR 1 73 3.351 -10.785 -9.291 1.00 0.00 C ATOM 0 H THR 1 73 2.843 -9.647 -6.468 1.00 0.00 H new ATOM 0 HA THR 1 73 3.726 -12.439 -6.907 1.00 0.00 H new ATOM 0 HB THR 1 73 5.122 -11.748 -8.602 1.00 0.00 H new ATOM 0 HG1 THR 1 73 5.469 -9.456 -9.084 1.00 0.00 H new ATOM 0 HG21 THR 1 73 3.776 -10.480 -10.247 1.00 0.00 H new ATOM 0 HG22 THR 1 73 2.828 -11.734 -9.412 1.00 0.00 H new ATOM 0 HG23 THR 1 73 2.649 -10.025 -8.947 1.00 0.00 H new ATOM 1022 N GLY 1 74 4.666 -10.513 -4.730 1.00 0.00 N ATOM 1023 CA GLY 1 74 5.620 -10.241 -3.670 1.00 0.00 C ATOM 1024 C GLY 1 74 6.871 -9.541 -4.167 1.00 0.00 C ATOM 1025 O GLY 1 74 7.931 -9.639 -3.548 1.00 0.00 O ATOM 0 H GLY 1 74 3.716 -10.191 -4.543 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 5.143 -9.624 -2.908 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 5.901 -11.179 -3.191 1.00 0.00 H new ATOM 1029 N LYS 1 75 6.753 -8.837 -5.289 1.00 0.00 N ATOM 1030 CA LYS 1 75 7.890 -8.125 -5.863 1.00 0.00 C ATOM 1031 C LYS 1 75 7.491 -6.740 -6.373 1.00 0.00 C ATOM 1032 O LYS 1 75 8.280 -6.072 -7.041 1.00 0.00 O ATOM 1033 CB LYS 1 75 8.501 -8.939 -7.005 1.00 0.00 C ATOM 1034 CG LYS 1 75 8.795 -10.384 -6.633 1.00 0.00 C ATOM 1035 CD LYS 1 75 10.201 -10.792 -7.043 1.00 0.00 C ATOM 1036 CE LYS 1 75 10.527 -12.204 -6.584 1.00 0.00 C ATOM 1037 NZ LYS 1 75 10.289 -12.382 -5.125 1.00 0.00 N ATOM 0 H LYS 1 75 5.885 -8.744 -5.817 1.00 0.00 H new ATOM 0 HA LYS 1 75 8.628 -7.993 -5.072 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 7.820 -8.923 -7.856 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 9.426 -8.460 -7.327 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 8.677 -10.515 -5.557 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 8.070 -11.039 -7.116 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 10.298 -10.729 -8.127 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 10.922 -10.094 -6.617 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 9.918 -12.916 -7.141 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 11.569 -12.428 -6.812 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 10.752 -13.255 -4.802 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 10.682 -11.570 -4.608 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 9.267 -12.446 -4.945 1.00 0.00 H new ATOM 1051 N SER 1 76 6.271 -6.309 -6.060 1.00 0.00 N ATOM 1052 CA SER 1 76 5.797 -5.002 -6.499 1.00 0.00 C ATOM 1053 C SER 1 76 4.475 -4.639 -5.830 1.00 0.00 C ATOM 1054 O SER 1 76 3.817 -5.486 -5.227 1.00 0.00 O ATOM 1055 CB SER 1 76 5.632 -4.981 -8.020 1.00 0.00 C ATOM 1056 OG SER 1 76 5.826 -3.677 -8.537 1.00 0.00 O ATOM 0 H SER 1 76 5.599 -6.842 -5.508 1.00 0.00 H new ATOM 0 HA SER 1 76 6.542 -4.262 -6.207 1.00 0.00 H new ATOM 0 HB2 SER 1 76 6.347 -5.666 -8.476 1.00 0.00 H new ATOM 0 HB3 SER 1 76 4.636 -5.336 -8.286 1.00 0.00 H new ATOM 0 HG SER 1 76 5.717 -3.692 -9.511 1.00 0.00 H new ATOM 1062 N SER 1 77 4.093 -3.369 -5.946 1.00 0.00 N ATOM 1063 CA SER 1 77 2.848 -2.881 -5.360 1.00 0.00 C ATOM 1064 C SER 1 77 1.671 -3.082 -6.314 1.00 0.00 C ATOM 1065 O SER 1 77 0.580 -2.561 -6.082 1.00 0.00 O ATOM 1066 CB SER 1 77 2.977 -1.398 -4.998 1.00 0.00 C ATOM 1067 OG SER 1 77 4.155 -0.836 -5.552 1.00 0.00 O ATOM 0 H SER 1 77 4.630 -2.658 -6.442 1.00 0.00 H new ATOM 0 HA SER 1 77 2.657 -3.457 -4.455 1.00 0.00 H new ATOM 0 HB2 SER 1 77 2.105 -0.855 -5.363 1.00 0.00 H new ATOM 0 HB3 SER 1 77 2.992 -1.285 -3.914 1.00 0.00 H new ATOM 0 HG SER 1 77 4.212 0.111 -5.307 1.00 0.00 H new ATOM 1073 N ASP 1 78 1.896 -3.836 -7.386 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.849 -4.096 -8.366 1.00 0.00 C ATOM 1075 C ASP 1 78 0.429 -5.562 -8.339 1.00 0.00 C ATOM 1076 O ASP 1 78 1.250 -6.453 -8.124 1.00 0.00 O ATOM 1077 CB ASP 1 78 1.328 -3.717 -9.768 1.00 0.00 C ATOM 1078 CG ASP 1 78 1.031 -2.270 -10.109 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 -0.158 -1.936 -10.296 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 1.987 -1.470 -10.189 1.00 0.00 O ATOM 0 H ASP 1 78 2.792 -4.276 -7.597 1.00 0.00 H new ATOM 0 HA ASP 1 78 -0.015 -3.485 -8.107 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 2.401 -3.892 -9.842 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 0.848 -4.366 -10.501 1.00 0.00 H new ATOM 1085 N CYS 1 79 -0.858 -5.800 -8.559 1.00 0.00 N ATOM 1086 CA CYS 1 79 -1.404 -7.152 -8.563 1.00 0.00 C ATOM 1087 C CYS 1 79 -1.989 -7.490 -9.936 1.00 0.00 C ATOM 1088 O CYS 1 79 -3.088 -7.049 -10.272 1.00 0.00 O ATOM 1089 CB CYS 1 79 -2.483 -7.278 -7.485 1.00 0.00 C ATOM 1090 SG CYS 1 79 -2.105 -8.515 -6.203 1.00 0.00 S ATOM 0 H CYS 1 79 -1.547 -5.070 -8.738 1.00 0.00 H new ATOM 0 HA CYS 1 79 -0.600 -7.856 -8.349 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -2.622 -6.307 -7.009 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.429 -7.539 -7.960 1.00 0.00 H new ATOM 1095 N PRO 1 80 -1.262 -8.274 -10.755 1.00 0.00 N ATOM 1096 CA PRO 1 80 -1.724 -8.658 -12.097 1.00 0.00 C ATOM 1097 C PRO 1 80 -2.939 -9.583 -12.061 1.00 0.00 C ATOM 1098 O PRO 1 80 -2.935 -10.600 -11.369 1.00 0.00 O ATOM 1099 CB PRO 1 80 -0.517 -9.386 -12.695 1.00 0.00 C ATOM 1100 CG PRO 1 80 0.253 -9.876 -11.518 1.00 0.00 C ATOM 1101 CD PRO 1 80 0.063 -8.842 -10.445 1.00 0.00 C ATOM 0 HA PRO 1 80 -2.048 -7.792 -12.674 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 -0.830 -10.211 -13.335 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 0.084 -8.716 -13.310 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -0.111 -10.850 -11.191 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 1.308 -9.996 -11.763 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 0.088 -9.285 -9.450 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 0.844 -8.082 -10.475 1.00 0.00 H new ATOM 1109 N TRP 1 81 -3.976 -9.218 -12.813 1.00 0.00 N ATOM 1110 CA TRP 1 81 -5.210 -10.008 -12.874 1.00 0.00 C ATOM 1111 C TRP 1 81 -5.237 -10.957 -14.067 1.00 0.00 C ATOM 1112 O TRP 1 81 -6.048 -11.881 -14.122 1.00 0.00 O ATOM 1113 CB TRP 1 81 -6.437 -9.099 -12.908 1.00 0.00 C ATOM 1114 CG TRP 1 81 -6.494 -8.155 -14.074 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 -5.486 -7.798 -14.925 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 -7.648 -7.440 -14.502 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 -5.950 -6.890 -15.846 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 -7.278 -6.657 -15.606 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -8.961 -7.389 -14.049 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 -8.181 -5.828 -16.261 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 -9.862 -6.569 -14.699 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 -9.468 -5.795 -15.796 1.00 0.00 C ATOM 0 H TRP 1 81 -3.988 -8.378 -13.391 1.00 0.00 H new ATOM 0 HA TRP 1 81 -5.234 -10.615 -11.969 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -7.332 -9.721 -12.919 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -6.465 -8.517 -11.987 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 -4.475 -8.174 -14.880 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 -5.396 -6.460 -16.587 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -9.272 -7.982 -13.201 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 -7.878 -5.230 -17.108 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 -10.885 -6.524 -14.356 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 -10.192 -5.160 -16.285 1.00 0.00 H new ATOM 1133 N ASN 1 82 -4.349 -10.722 -15.009 1.00 0.00 N ATOM 1134 CA ASN 1 82 -4.254 -11.547 -16.209 1.00 0.00 C ATOM 1135 C ASN 1 82 -5.548 -11.490 -17.015 1.00 0.00 C ATOM 1136 O ASN 1 82 -6.012 -12.504 -17.537 1.00 0.00 O ATOM 1137 CB ASN 1 82 -3.937 -12.996 -15.832 1.00 0.00 C ATOM 1138 CG ASN 1 82 -2.570 -13.141 -15.192 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -1.634 -12.415 -15.527 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -2.449 -14.083 -14.263 1.00 0.00 N ATOM 0 H ASN 1 82 -3.673 -9.959 -14.972 1.00 0.00 H new ATOM 0 HA ASN 1 82 -3.447 -11.154 -16.827 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -4.698 -13.364 -15.144 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -3.985 -13.620 -16.725 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -1.554 -14.227 -13.796 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -3.252 -14.662 -14.016 1.00 0.00 H new ATOM 1147 N HIS 1 83 -6.125 -10.297 -17.114 1.00 0.00 N ATOM 1148 CA HIS 1 83 -7.365 -10.106 -17.857 1.00 0.00 C ATOM 1149 C HIS 1 83 -7.269 -8.895 -18.778 1.00 0.00 C ATOM 1150 O HIS 1 83 -6.756 -7.849 -18.328 1.00 0.00 O ATOM 1151 CB HIS 1 83 -8.538 -9.936 -16.890 1.00 0.00 C ATOM 1152 CG HIS 1 83 -8.581 -10.982 -15.821 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -8.907 -10.710 -14.509 1.00 0.00 N ATOM 1154 CD2 HIS 1 83 -8.331 -12.311 -15.875 1.00 0.00 C ATOM 1155 CE1 HIS 1 83 -8.854 -11.825 -13.804 1.00 0.00 C ATOM 1156 NE2 HIS 1 83 -8.507 -12.810 -14.610 1.00 0.00 N ATOM 1157 OXT HIS 1 83 -7.708 -9.002 -19.943 1.00 0.00 O ATOM 0 H HIS 1 83 -5.753 -9.448 -16.689 1.00 0.00 H new ATOM 0 HA HIS 1 83 -7.532 -10.991 -18.471 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 -8.476 -8.953 -16.424 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 -9.471 -9.964 -17.453 1.00 0.00 H new ATOM 0 HD1 HIS 1 83 -9.151 -9.791 -14.141 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -8.046 -12.874 -16.752 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -9.060 -11.915 -12.748 1.00 0.00 H new