USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=17 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= -0.741 F(o=-10,f=-6.6) USER MOD Set 1.2: 1 83 HIS : no HE2:sc= -5.82 K(o=-6.6,f=-9.7!) USER MOD Set 2.1: 1 30 ASN :FLIP amide:sc= -2.07 F(o=-7.9,f=-5.4) USER MOD Set 2.2: 1 33 THR OG1 : rot -74:sc= -3.3! USER MOD Set 3.1: 1 20 SER OG : rot 37:sc= 0.699 USER MOD Set 3.2: 1 23 ASN : amide:sc= -3.63 K(o=-2.9,f=-9!) USER MOD Single : 1 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 8 LYS NZ :NH3+ 136:sc= -1.07 (180deg=-3.32!) USER MOD Single : 1 12 GLN :FLIP amide:sc= -2.89! C(o=-3.5!,f=-2.9!) USER MOD Single : 1 25 GLN : amide:sc= -0.311 X(o=-0.31,f=0) USER MOD Single : 1 35 LYS NZ :NH3+ 166:sc= 0.734 (180deg=0.655) USER MOD Single : 1 37 THR OG1 : rot 110:sc= -4! USER MOD Single : 1 40 SER OG : rot 130:sc= 1.23 USER MOD Single : 1 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 43 ASN : amide:sc= -5.44! C(o=-5.4!,f=-8.3!) USER MOD Single : 1 44 TYR OH : rot 180:sc= 0 USER MOD Single : 1 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 54 LYS NZ :NH3+ 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= 0.866 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+ -161:sc= -0.134 (180deg=-0.59) USER MOD Single : 1 76 SER OG : rot 51:sc= 1.21 USER MOD Single : 1 77 SER OG : rot 180:sc= 0 USER MOD Single : 1 82 ASN : amide:sc= -0.349 X(o=-0.35,f=0) USER MOD ----------------------------------------------------------------- ATOM 42 N VAL 1 4 -1.690 17.133 12.549 1.00 0.00 N ATOM 43 CA VAL 1 4 -1.405 16.323 11.403 1.00 0.00 C ATOM 44 C VAL 1 4 -0.109 16.793 10.760 1.00 0.00 C ATOM 45 O VAL 1 4 -0.112 17.682 9.909 1.00 0.00 O ATOM 46 CB VAL 1 4 -2.549 16.384 10.377 1.00 0.00 C ATOM 47 CG1 VAL 1 4 -2.832 14.999 9.830 1.00 0.00 C ATOM 48 CG2 VAL 1 4 -3.807 16.981 10.994 1.00 0.00 C ATOM 0 HA VAL 1 4 -1.302 15.289 11.731 1.00 0.00 H new ATOM 0 HB VAL 1 4 -2.239 17.031 9.557 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 -3.644 15.053 9.104 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 -1.937 14.610 9.345 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 -3.119 14.337 10.647 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 -4.599 17.012 10.246 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 -4.126 16.367 11.836 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 -3.597 17.992 11.342 1.00 0.00 H new ATOM 58 N CYS 1 5 1.000 16.198 11.181 1.00 0.00 N ATOM 59 CA CYS 1 5 2.304 16.575 10.645 1.00 0.00 C ATOM 60 C CYS 1 5 2.374 16.177 9.179 1.00 0.00 C ATOM 61 O CYS 1 5 2.636 15.024 8.840 1.00 0.00 O ATOM 62 CB CYS 1 5 3.453 15.908 11.430 1.00 0.00 C ATOM 63 SG CYS 1 5 3.029 14.329 12.255 1.00 0.00 S ATOM 0 H CYS 1 5 1.025 15.460 11.885 1.00 0.00 H new ATOM 0 HA CYS 1 5 2.421 17.654 10.745 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 4.282 15.729 10.745 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 3.809 16.609 12.185 1.00 0.00 H new ATOM 68 N GLY 1 6 2.099 17.150 8.316 1.00 0.00 N ATOM 69 CA GLY 1 6 2.088 16.909 6.888 1.00 0.00 C ATOM 70 C GLY 1 6 0.668 16.824 6.346 1.00 0.00 C ATOM 71 O GLY 1 6 0.443 16.312 5.250 1.00 0.00 O ATOM 0 H GLY 1 6 1.882 18.109 8.586 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 2.625 17.709 6.379 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 2.617 15.981 6.671 1.00 0.00 H new ATOM 75 N ASN 1 7 -0.291 17.324 7.130 1.00 0.00 N ATOM 76 CA ASN 1 7 -1.703 17.305 6.750 1.00 0.00 C ATOM 77 C ASN 1 7 -2.200 15.877 6.578 1.00 0.00 C ATOM 78 O ASN 1 7 -1.560 15.066 5.909 1.00 0.00 O ATOM 79 CB ASN 1 7 -1.931 18.082 5.450 1.00 0.00 C ATOM 80 CG ASN 1 7 -2.189 19.556 5.693 1.00 0.00 C ATOM 81 OD1 ASN 1 7 -3.313 20.035 5.539 1.00 0.00 O ATOM 82 ND2 ASN 1 7 -1.147 20.284 6.076 1.00 0.00 N ATOM 0 H ASN 1 7 -0.111 17.750 8.039 1.00 0.00 H new ATOM 0 HA ASN 1 7 -2.264 17.783 7.553 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 -1.059 17.970 4.806 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 -2.778 17.651 4.917 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 -1.260 21.282 6.255 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 -0.233 19.846 6.191 1.00 0.00 H new ATOM 89 N LYS 1 8 -3.349 15.574 7.179 1.00 0.00 N ATOM 90 CA LYS 1 8 -3.931 14.237 7.084 1.00 0.00 C ATOM 91 C LYS 1 8 -3.880 13.743 5.647 1.00 0.00 C ATOM 92 O LYS 1 8 -4.708 14.136 4.825 1.00 0.00 O ATOM 93 CB LYS 1 8 -5.381 14.247 7.575 1.00 0.00 C ATOM 94 CG LYS 1 8 -6.008 12.864 7.649 1.00 0.00 C ATOM 95 CD LYS 1 8 -5.202 11.932 8.539 1.00 0.00 C ATOM 96 CE LYS 1 8 -5.107 12.460 9.962 1.00 0.00 C ATOM 97 NZ LYS 1 8 -5.337 11.389 10.969 1.00 0.00 N ATOM 0 H LYS 1 8 -3.894 16.233 7.735 1.00 0.00 H new ATOM 0 HA LYS 1 8 -3.350 13.564 7.715 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 -5.418 14.707 8.562 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 -5.977 14.872 6.910 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 -7.025 12.945 8.032 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 -6.078 12.441 6.647 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 -5.665 10.945 8.547 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 -4.200 11.811 8.127 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 -4.123 12.901 10.120 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 -5.839 13.255 10.104 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 -4.632 11.470 11.729 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 -6.292 11.488 11.370 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 -5.248 10.459 10.513 1.00 0.00 H new ATOM 111 N ILE 1 9 -2.898 12.898 5.336 1.00 0.00 N ATOM 112 CA ILE 1 9 -2.766 12.392 3.968 1.00 0.00 C ATOM 113 C ILE 1 9 -4.106 11.917 3.436 1.00 0.00 C ATOM 114 O ILE 1 9 -4.759 11.055 4.023 1.00 0.00 O ATOM 115 CB ILE 1 9 -1.719 11.268 3.823 1.00 0.00 C ATOM 116 CG1 ILE 1 9 -1.878 10.195 4.898 1.00 0.00 C ATOM 117 CG2 ILE 1 9 -0.328 11.864 3.880 1.00 0.00 C ATOM 118 CD1 ILE 1 9 -2.942 9.165 4.584 1.00 0.00 C ATOM 0 H ILE 1 9 -2.197 12.555 5.993 1.00 0.00 H new ATOM 0 HA ILE 1 9 -2.410 13.234 3.375 1.00 0.00 H new ATOM 0 HB ILE 1 9 -1.876 10.784 2.859 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 -0.923 9.687 5.034 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 -2.121 10.677 5.845 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 0.412 11.071 3.778 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 -0.206 12.581 3.068 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 -0.188 12.370 4.835 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 -2.995 8.438 5.394 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 -3.907 9.660 4.477 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 -2.691 8.655 3.654 1.00 0.00 H new ATOM 130 N LEU 1 10 -4.521 12.518 2.333 1.00 0.00 N ATOM 131 CA LEU 1 10 -5.797 12.192 1.724 1.00 0.00 C ATOM 132 C LEU 1 10 -5.668 11.069 0.700 1.00 0.00 C ATOM 133 O LEU 1 10 -6.604 10.791 -0.049 1.00 0.00 O ATOM 134 CB LEU 1 10 -6.401 13.450 1.087 1.00 0.00 C ATOM 135 CG LEU 1 10 -5.491 14.226 0.118 1.00 0.00 C ATOM 136 CD1 LEU 1 10 -4.687 15.278 0.866 1.00 0.00 C ATOM 137 CD2 LEU 1 10 -4.565 13.292 -0.651 1.00 0.00 C ATOM 0 H LEU 1 10 -3.990 13.236 1.841 1.00 0.00 H new ATOM 0 HA LEU 1 10 -6.465 11.830 2.506 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 -7.305 13.162 0.551 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 -6.706 14.126 1.886 1.00 0.00 H new ATOM 0 HG LEU 1 10 -6.132 14.726 -0.607 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 -4.050 15.816 0.164 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 -5.367 15.979 1.350 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 -4.067 14.794 1.621 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 -3.938 13.875 -1.325 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 -3.934 12.746 0.051 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 -5.160 12.585 -1.230 1.00 0.00 H new ATOM 149 N GLU 1 11 -4.506 10.426 0.682 1.00 0.00 N ATOM 150 CA GLU 1 11 -4.245 9.325 -0.246 1.00 0.00 C ATOM 151 C GLU 1 11 -2.795 8.847 -0.164 1.00 0.00 C ATOM 152 O GLU 1 11 -2.206 8.474 -1.179 1.00 0.00 O ATOM 153 CB GLU 1 11 -4.549 9.755 -1.685 1.00 0.00 C ATOM 154 CG GLU 1 11 -3.562 10.773 -2.236 1.00 0.00 C ATOM 155 CD GLU 1 11 -4.176 11.669 -3.294 1.00 0.00 C ATOM 156 OE1 GLU 1 11 -5.021 11.176 -4.072 1.00 0.00 O ATOM 157 OE2 GLU 1 11 -3.813 12.862 -3.346 1.00 0.00 O ATOM 0 H GLU 1 11 -3.726 10.647 1.300 1.00 0.00 H new ATOM 0 HA GLU 1 11 -4.899 8.501 0.041 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 -4.547 8.874 -2.327 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 -5.554 10.176 -1.725 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 -3.186 11.388 -1.418 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 -2.706 10.250 -2.661 1.00 0.00 H new ATOM 164 N GLN 1 12 -2.211 8.860 1.032 1.00 0.00 N ATOM 165 CA GLN 1 12 -0.825 8.426 1.191 1.00 0.00 C ATOM 166 C GLN 1 12 -0.698 7.275 2.196 1.00 0.00 C ATOM 167 O GLN 1 12 -0.766 6.106 1.818 1.00 0.00 O ATOM 168 CB GLN 1 12 0.066 9.602 1.613 1.00 0.00 C ATOM 169 CG GLN 1 12 -0.215 10.905 0.876 1.00 0.00 C ATOM 170 CD GLN 1 12 0.417 10.963 -0.503 1.00 0.00 C ATOM 171 OE1 GLN 1 12 0.006 10.065 -1.390 1.00 0.00 O flip ATOM 172 NE2 GLN 1 12 1.270 11.810 -0.768 1.00 0.00 N flip ATOM 0 H GLN 1 12 -2.667 9.161 1.893 1.00 0.00 H new ATOM 0 HA GLN 1 12 -0.489 8.057 0.222 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 -0.059 9.770 2.683 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 1.109 9.327 1.453 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 -1.293 11.035 0.780 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 0.154 11.739 1.473 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 1.559 12.483 -0.058 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 1.688 11.839 -1.698 1.00 0.00 H new ATOM 181 N GLY 1 13 -0.492 7.605 3.470 1.00 0.00 N ATOM 182 CA GLY 1 13 -0.332 6.580 4.489 1.00 0.00 C ATOM 183 C GLY 1 13 1.067 5.989 4.474 1.00 0.00 C ATOM 184 O GLY 1 13 1.288 4.888 4.977 1.00 0.00 O ATOM 0 H GLY 1 13 -0.433 8.563 3.814 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 -0.536 7.007 5.471 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 -1.064 5.788 4.327 1.00 0.00 H new ATOM 188 N GLU 1 14 2.001 6.737 3.880 1.00 0.00 N ATOM 189 CA GLU 1 14 3.409 6.338 3.749 1.00 0.00 C ATOM 190 C GLU 1 14 4.010 6.994 2.514 1.00 0.00 C ATOM 191 O GLU 1 14 5.224 7.157 2.409 1.00 0.00 O ATOM 192 CB GLU 1 14 3.565 4.815 3.645 1.00 0.00 C ATOM 193 CG GLU 1 14 4.024 4.157 4.936 1.00 0.00 C ATOM 194 CD GLU 1 14 4.552 2.753 4.719 1.00 0.00 C ATOM 195 OE1 GLU 1 14 3.754 1.871 4.337 1.00 0.00 O ATOM 196 OE2 GLU 1 14 5.763 2.535 4.930 1.00 0.00 O ATOM 0 H GLU 1 14 1.800 7.649 3.470 1.00 0.00 H new ATOM 0 HA GLU 1 14 3.933 6.667 4.646 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 2.611 4.381 3.346 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 4.281 4.585 2.856 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 4.803 4.767 5.394 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 3.191 4.123 5.638 1.00 0.00 H new ATOM 203 N ASP 1 15 3.143 7.373 1.582 1.00 0.00 N ATOM 204 CA ASP 1 15 3.569 8.018 0.353 1.00 0.00 C ATOM 205 C ASP 1 15 4.477 9.208 0.641 1.00 0.00 C ATOM 206 O ASP 1 15 5.676 9.164 0.366 1.00 0.00 O ATOM 207 CB ASP 1 15 2.346 8.482 -0.434 1.00 0.00 C ATOM 208 CG ASP 1 15 2.403 8.074 -1.893 1.00 0.00 C ATOM 209 OD1 ASP 1 15 2.398 6.856 -2.170 1.00 0.00 O ATOM 210 OD2 ASP 1 15 2.452 8.972 -2.759 1.00 0.00 O ATOM 0 H ASP 1 15 2.134 7.242 1.659 1.00 0.00 H new ATOM 0 HA ASP 1 15 4.133 7.294 -0.235 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 1.447 8.067 0.021 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 2.265 9.567 -0.367 1.00 0.00 H new ATOM 215 N CYS 1 16 3.895 10.275 1.184 1.00 0.00 N ATOM 216 CA CYS 1 16 4.656 11.480 1.490 1.00 0.00 C ATOM 217 C CYS 1 16 3.780 12.532 2.171 1.00 0.00 C ATOM 218 O CYS 1 16 2.898 13.121 1.547 1.00 0.00 O ATOM 219 CB CYS 1 16 5.256 12.034 0.191 1.00 0.00 C ATOM 220 SG CYS 1 16 6.562 13.307 0.377 1.00 0.00 S ATOM 0 H CYS 1 16 2.904 10.328 1.419 1.00 0.00 H new ATOM 0 HA CYS 1 16 5.457 11.227 2.185 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 5.669 11.201 -0.378 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 4.448 12.458 -0.406 1.00 0.00 H new ATOM 225 N ASP 1 17 4.058 12.759 3.459 1.00 0.00 N ATOM 226 CA ASP 1 17 3.348 13.746 4.285 1.00 0.00 C ATOM 227 C ASP 1 17 2.190 13.108 5.043 1.00 0.00 C ATOM 228 O ASP 1 17 1.110 13.690 5.133 1.00 0.00 O ATOM 229 CB ASP 1 17 2.845 14.926 3.441 1.00 0.00 C ATOM 230 CG ASP 1 17 3.041 16.259 4.135 1.00 0.00 C ATOM 231 OD1 ASP 1 17 3.967 16.364 4.968 1.00 0.00 O ATOM 232 OD2 ASP 1 17 2.273 17.199 3.844 1.00 0.00 O ATOM 0 H ASP 1 17 4.789 12.259 3.964 1.00 0.00 H new ATOM 0 HA ASP 1 17 4.064 14.127 5.013 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 3.371 14.936 2.486 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 1.787 14.786 3.221 1.00 0.00 H new ATOM 237 N CYS 1 18 2.437 11.910 5.585 1.00 0.00 N ATOM 238 CA CYS 1 18 1.436 11.148 6.345 1.00 0.00 C ATOM 239 C CYS 1 18 0.440 12.038 7.081 1.00 0.00 C ATOM 240 O CYS 1 18 -0.740 11.702 7.182 1.00 0.00 O ATOM 241 CB CYS 1 18 2.121 10.217 7.351 1.00 0.00 C ATOM 242 SG CYS 1 18 1.694 8.460 7.124 1.00 0.00 S ATOM 0 H CYS 1 18 3.339 11.439 5.509 1.00 0.00 H new ATOM 0 HA CYS 1 18 0.877 10.566 5.613 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 3.201 10.334 7.265 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 1.847 10.522 8.361 1.00 0.00 H new ATOM 247 N GLY 1 19 0.909 13.163 7.602 1.00 0.00 N ATOM 248 CA GLY 1 19 0.020 14.047 8.322 1.00 0.00 C ATOM 249 C GLY 1 19 -0.391 13.472 9.655 1.00 0.00 C ATOM 250 O GLY 1 19 -0.002 13.983 10.702 1.00 0.00 O ATOM 0 H GLY 1 19 1.878 13.476 7.540 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 0.511 15.007 8.477 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 -0.868 14.237 7.720 1.00 0.00 H new ATOM 254 N SER 1 20 -1.183 12.405 9.625 1.00 0.00 N ATOM 255 CA SER 1 20 -1.642 11.782 10.854 1.00 0.00 C ATOM 256 C SER 1 20 -0.461 11.486 11.769 1.00 0.00 C ATOM 257 O SER 1 20 0.342 10.592 11.503 1.00 0.00 O ATOM 258 CB SER 1 20 -2.426 10.515 10.557 1.00 0.00 C ATOM 259 OG SER 1 20 -1.628 9.557 9.883 1.00 0.00 O ATOM 0 H SER 1 20 -1.516 11.960 8.770 1.00 0.00 H new ATOM 0 HA SER 1 20 -2.309 12.477 11.365 1.00 0.00 H new ATOM 0 HB2 SER 1 20 -2.798 10.089 11.489 1.00 0.00 H new ATOM 0 HB3 SER 1 20 -3.296 10.759 9.948 1.00 0.00 H new ATOM 0 HG SER 1 20 -0.711 9.594 10.228 1.00 0.00 H new ATOM 265 N PRO 1 21 -0.334 12.266 12.849 1.00 0.00 N ATOM 266 CA PRO 1 21 0.762 12.129 13.804 1.00 0.00 C ATOM 267 C PRO 1 21 0.839 10.739 14.412 1.00 0.00 C ATOM 268 O PRO 1 21 1.906 10.298 14.838 1.00 0.00 O ATOM 269 CB PRO 1 21 0.448 13.180 14.874 1.00 0.00 C ATOM 270 CG PRO 1 21 -0.441 14.162 14.191 1.00 0.00 C ATOM 271 CD PRO 1 21 -1.243 13.363 13.204 1.00 0.00 C ATOM 0 HA PRO 1 21 1.732 12.274 13.328 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 -0.046 12.732 15.736 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 1.357 13.657 15.240 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 -1.090 14.667 14.906 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 0.141 14.935 13.689 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 -2.170 12.993 13.643 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 -1.518 13.957 12.333 1.00 0.00 H new ATOM 279 N ALA 1 22 -0.288 10.037 14.430 1.00 0.00 N ATOM 280 CA ALA 1 22 -0.321 8.683 14.965 1.00 0.00 C ATOM 281 C ALA 1 22 0.701 7.808 14.243 1.00 0.00 C ATOM 282 O ALA 1 22 1.112 6.764 14.750 1.00 0.00 O ATOM 283 CB ALA 1 22 -1.717 8.094 14.833 1.00 0.00 C ATOM 0 H ALA 1 22 -1.184 10.380 14.083 1.00 0.00 H new ATOM 0 HA ALA 1 22 -0.063 8.718 16.023 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 -1.725 7.082 15.237 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 -2.426 8.711 15.385 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 -2.002 8.067 13.781 1.00 0.00 H new ATOM 289 N ASN 1 23 1.106 8.249 13.052 1.00 0.00 N ATOM 290 CA ASN 1 23 2.076 7.522 12.249 1.00 0.00 C ATOM 291 C ASN 1 23 3.286 8.399 11.910 1.00 0.00 C ATOM 292 O ASN 1 23 4.046 8.089 10.993 1.00 0.00 O ATOM 293 CB ASN 1 23 1.414 7.025 10.964 1.00 0.00 C ATOM 294 CG ASN 1 23 0.106 6.305 11.229 1.00 0.00 C ATOM 295 OD1 ASN 1 23 0.020 5.084 11.104 1.00 0.00 O ATOM 296 ND2 ASN 1 23 -0.922 7.061 11.598 1.00 0.00 N ATOM 0 H ASN 1 23 0.772 9.112 12.624 1.00 0.00 H new ATOM 0 HA ASN 1 23 2.430 6.670 12.830 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 1.232 7.871 10.301 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 2.096 6.353 10.443 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 -1.827 6.632 11.790 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 -0.806 8.070 11.689 1.00 0.00 H new ATOM 303 N CYS 1 24 3.464 9.493 12.656 1.00 0.00 N ATOM 304 CA CYS 1 24 4.588 10.402 12.427 1.00 0.00 C ATOM 305 C CYS 1 24 5.894 9.769 12.895 1.00 0.00 C ATOM 306 O CYS 1 24 6.190 9.748 14.089 1.00 0.00 O ATOM 307 CB CYS 1 24 4.363 11.734 13.156 1.00 0.00 C ATOM 308 SG CYS 1 24 4.733 13.220 12.157 1.00 0.00 S ATOM 0 H CYS 1 24 2.847 9.769 13.420 1.00 0.00 H new ATOM 0 HA CYS 1 24 4.654 10.594 11.356 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 3.325 11.782 13.485 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 4.982 11.752 14.053 1.00 0.00 H new ATOM 313 N GLN 1 25 6.672 9.252 11.944 1.00 0.00 N ATOM 314 CA GLN 1 25 7.953 8.611 12.249 1.00 0.00 C ATOM 315 C GLN 1 25 7.840 7.702 13.472 1.00 0.00 C ATOM 316 O GLN 1 25 8.706 7.711 14.348 1.00 0.00 O ATOM 317 CB GLN 1 25 9.051 9.661 12.474 1.00 0.00 C ATOM 318 CG GLN 1 25 8.547 10.979 13.042 1.00 0.00 C ATOM 319 CD GLN 1 25 9.635 12.031 13.126 1.00 0.00 C ATOM 320 OE1 GLN 1 25 9.875 12.610 14.186 1.00 0.00 O ATOM 321 NE2 GLN 1 25 10.301 12.285 12.005 1.00 0.00 N ATOM 0 H GLN 1 25 6.437 9.264 10.952 1.00 0.00 H new ATOM 0 HA GLN 1 25 8.225 7.998 11.389 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 9.799 9.249 13.151 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 9.552 9.855 11.526 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 7.734 11.352 12.419 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 8.134 10.808 14.036 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 10.069 11.781 11.149 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 11.044 12.984 12.001 1.00 0.00 H new ATOM 330 N ASP 1 26 6.766 6.921 13.525 1.00 0.00 N ATOM 331 CA ASP 1 26 6.540 6.009 14.640 1.00 0.00 C ATOM 332 C ASP 1 26 5.849 4.731 14.174 1.00 0.00 C ATOM 333 O ASP 1 26 6.308 3.626 14.463 1.00 0.00 O ATOM 334 CB ASP 1 26 5.699 6.691 15.721 1.00 0.00 C ATOM 335 CG ASP 1 26 5.528 5.825 16.953 1.00 0.00 C ATOM 336 OD1 ASP 1 26 4.638 4.948 16.943 1.00 0.00 O ATOM 337 OD2 ASP 1 26 6.282 6.023 17.928 1.00 0.00 O ATOM 0 H ASP 1 26 6.039 6.901 12.810 1.00 0.00 H new ATOM 0 HA ASP 1 26 7.511 5.741 15.057 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 6.171 7.632 16.004 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 4.718 6.936 15.314 1.00 0.00 H new ATOM 342 N ARG 1 27 4.742 4.888 13.455 1.00 0.00 N ATOM 343 CA ARG 1 27 3.989 3.743 12.955 1.00 0.00 C ATOM 344 C ARG 1 27 4.741 3.047 11.821 1.00 0.00 C ATOM 345 O ARG 1 27 5.455 2.071 12.050 1.00 0.00 O ATOM 346 CB ARG 1 27 2.598 4.183 12.488 1.00 0.00 C ATOM 347 CG ARG 1 27 1.778 3.061 11.867 1.00 0.00 C ATOM 348 CD ARG 1 27 0.562 2.720 12.715 1.00 0.00 C ATOM 349 NE ARG 1 27 0.316 1.281 12.765 1.00 0.00 N ATOM 350 CZ ARG 1 27 -0.657 0.719 13.479 1.00 0.00 C ATOM 351 NH1 ARG 1 27 -1.477 1.472 14.203 1.00 0.00 N ATOM 352 NH2 ARG 1 27 -0.812 -0.597 13.469 1.00 0.00 N ATOM 0 H ARG 1 27 4.347 5.795 13.206 1.00 0.00 H new ATOM 0 HA ARG 1 27 3.873 3.029 13.770 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 2.052 4.593 13.338 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 2.706 4.988 11.761 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 1.455 3.356 10.869 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 2.402 2.175 11.752 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 0.708 3.098 13.727 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 -0.315 3.224 12.310 1.00 0.00 H new ATOM 0 HE ARG 1 27 0.926 0.671 12.221 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 -1.363 2.486 14.214 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 -2.221 1.037 14.748 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 -0.186 -1.180 12.914 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 -1.558 -1.027 14.016 1.00 0.00 H new ATOM 366 N CYS 1 28 4.578 3.549 10.601 1.00 0.00 N ATOM 367 CA CYS 1 28 5.245 2.966 9.443 1.00 0.00 C ATOM 368 C CYS 1 28 5.393 3.990 8.320 1.00 0.00 C ATOM 369 O CYS 1 28 5.521 3.626 7.151 1.00 0.00 O ATOM 370 CB CYS 1 28 4.466 1.748 8.940 1.00 0.00 C ATOM 371 SG CYS 1 28 5.510 0.305 8.552 1.00 0.00 S ATOM 0 H CYS 1 28 3.991 4.356 10.389 1.00 0.00 H new ATOM 0 HA CYS 1 28 6.242 2.651 9.752 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 3.734 1.461 9.695 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 3.908 2.030 8.047 1.00 0.00 H new ATOM 376 N CYS 1 29 5.384 5.269 8.677 1.00 0.00 N ATOM 377 CA CYS 1 29 5.522 6.331 7.687 1.00 0.00 C ATOM 378 C CYS 1 29 6.158 7.574 8.289 1.00 0.00 C ATOM 379 O CYS 1 29 6.267 7.707 9.508 1.00 0.00 O ATOM 380 CB CYS 1 29 4.157 6.692 7.105 1.00 0.00 C ATOM 381 SG CYS 1 29 3.027 7.479 8.296 1.00 0.00 S ATOM 0 H CYS 1 29 5.283 5.595 9.638 1.00 0.00 H new ATOM 0 HA CYS 1 29 6.173 5.959 6.895 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 4.301 7.363 6.258 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 3.688 5.787 6.718 1.00 0.00 H new ATOM 386 N ASN 1 30 6.560 8.489 7.418 1.00 0.00 N ATOM 387 CA ASN 1 30 7.167 9.737 7.844 1.00 0.00 C ATOM 388 C ASN 1 30 6.261 10.902 7.515 1.00 0.00 C ATOM 389 O ASN 1 30 6.265 11.423 6.400 1.00 0.00 O ATOM 390 CB ASN 1 30 8.525 9.939 7.187 1.00 0.00 C ATOM 391 CG ASN 1 30 9.606 9.083 7.816 1.00 0.00 C ATOM 392 OD1 ASN 1 30 9.729 9.164 9.136 1.00 0.00 O flip ATOM 393 ND2 ASN 1 30 10.321 8.357 7.125 1.00 0.00 N flip ATOM 0 H ASN 1 30 6.475 8.387 6.407 1.00 0.00 H new ATOM 0 HA ASN 1 30 7.310 9.687 8.923 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 8.450 9.703 6.126 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 8.808 10.989 7.261 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 10.191 8.326 6.114 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 11.043 7.786 7.564 1.00 0.00 H new ATOM 400 N ALA 1 31 5.506 11.317 8.510 1.00 0.00 N ATOM 401 CA ALA 1 31 4.602 12.444 8.360 1.00 0.00 C ATOM 402 C ALA 1 31 5.390 13.735 8.498 1.00 0.00 C ATOM 403 O ALA 1 31 4.973 14.794 8.027 1.00 0.00 O ATOM 404 CB ALA 1 31 3.480 12.377 9.383 1.00 0.00 C ATOM 0 H ALA 1 31 5.499 10.890 9.436 1.00 0.00 H new ATOM 0 HA ALA 1 31 4.143 12.410 7.372 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 2.816 13.231 9.251 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 2.916 11.454 9.245 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 3.902 12.397 10.388 1.00 0.00 H new ATOM 410 N ALA 1 32 6.554 13.619 9.128 1.00 0.00 N ATOM 411 CA ALA 1 32 7.445 14.750 9.316 1.00 0.00 C ATOM 412 C ALA 1 32 8.591 14.671 8.315 1.00 0.00 C ATOM 413 O ALA 1 32 9.268 15.661 8.040 1.00 0.00 O ATOM 414 CB ALA 1 32 7.975 14.769 10.740 1.00 0.00 C ATOM 0 H ALA 1 32 6.902 12.743 9.519 1.00 0.00 H new ATOM 0 HA ALA 1 32 6.894 15.675 9.146 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 8.642 15.622 10.869 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 7.141 14.852 11.437 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 8.522 13.847 10.937 1.00 0.00 H new ATOM 420 N THR 1 33 8.791 13.472 7.773 1.00 0.00 N ATOM 421 CA THR 1 33 9.838 13.224 6.797 1.00 0.00 C ATOM 422 C THR 1 33 9.244 12.958 5.416 1.00 0.00 C ATOM 423 O THR 1 33 9.945 12.547 4.491 1.00 0.00 O ATOM 424 CB THR 1 33 10.696 12.047 7.255 1.00 0.00 C ATOM 425 OG1 THR 1 33 10.291 11.601 8.541 1.00 0.00 O ATOM 426 CG2 THR 1 33 12.152 12.385 7.342 1.00 0.00 C ATOM 0 H THR 1 33 8.231 12.650 8.000 1.00 0.00 H new ATOM 0 HA THR 1 33 10.466 14.112 6.720 1.00 0.00 H new ATOM 0 HB THR 1 33 10.554 11.272 6.502 1.00 0.00 H new ATOM 0 HG1 THR 1 33 10.591 12.242 9.219 1.00 0.00 H new ATOM 0 HG21 THR 1 33 12.710 11.509 7.673 1.00 0.00 H new ATOM 0 HG22 THR 1 33 12.513 12.696 6.362 1.00 0.00 H new ATOM 0 HG23 THR 1 33 12.295 13.197 8.055 1.00 0.00 H new ATOM 434 N CYS 1 34 7.945 13.211 5.293 1.00 0.00 N ATOM 435 CA CYS 1 34 7.215 13.027 4.044 1.00 0.00 C ATOM 436 C CYS 1 34 7.657 11.787 3.267 1.00 0.00 C ATOM 437 O CYS 1 34 8.027 11.882 2.100 1.00 0.00 O ATOM 438 CB CYS 1 34 7.349 14.268 3.158 1.00 0.00 C ATOM 439 SG CYS 1 34 5.998 14.468 1.947 1.00 0.00 S ATOM 0 H CYS 1 34 7.366 13.551 6.061 1.00 0.00 H new ATOM 0 HA CYS 1 34 6.171 12.877 4.319 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 7.387 15.153 3.794 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 8.298 14.219 2.623 1.00 0.00 H new ATOM 444 N LYS 1 35 7.613 10.620 3.898 1.00 0.00 N ATOM 445 CA LYS 1 35 7.998 9.396 3.197 1.00 0.00 C ATOM 446 C LYS 1 35 7.796 8.145 4.036 1.00 0.00 C ATOM 447 O LYS 1 35 7.881 8.170 5.258 1.00 0.00 O ATOM 448 CB LYS 1 35 9.453 9.470 2.753 1.00 0.00 C ATOM 449 CG LYS 1 35 9.686 8.920 1.355 1.00 0.00 C ATOM 450 CD LYS 1 35 9.466 9.983 0.293 1.00 0.00 C ATOM 451 CE LYS 1 35 10.544 11.052 0.344 1.00 0.00 C ATOM 452 NZ LYS 1 35 9.994 12.411 0.088 1.00 0.00 N ATOM 0 H LYS 1 35 7.323 10.493 4.868 1.00 0.00 H new ATOM 0 HA LYS 1 35 7.342 9.323 2.329 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 9.783 10.508 2.787 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 10.070 8.916 3.461 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 10.703 8.534 1.280 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 9.013 8.081 1.176 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 9.459 9.518 -0.693 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 8.488 10.444 0.435 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 11.026 11.034 1.321 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 11.313 10.827 -0.395 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 10.697 13.127 0.361 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 9.773 12.511 -0.923 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 9.127 12.546 0.647 1.00 0.00 H new ATOM 466 N LEU 1 36 7.555 7.035 3.355 1.00 0.00 N ATOM 467 CA LEU 1 36 7.374 5.756 4.032 1.00 0.00 C ATOM 468 C LEU 1 36 8.600 5.454 4.889 1.00 0.00 C ATOM 469 O LEU 1 36 9.717 5.832 4.533 1.00 0.00 O ATOM 470 CB LEU 1 36 7.159 4.639 3.011 1.00 0.00 C ATOM 471 CG LEU 1 36 8.265 4.510 1.961 1.00 0.00 C ATOM 472 CD1 LEU 1 36 8.886 3.122 2.008 1.00 0.00 C ATOM 473 CD2 LEU 1 36 7.721 4.812 0.572 1.00 0.00 C ATOM 0 H LEU 1 36 7.480 6.992 2.339 1.00 0.00 H new ATOM 0 HA LEU 1 36 6.493 5.814 4.671 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 7.069 3.692 3.543 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 6.211 4.809 2.501 1.00 0.00 H new ATOM 0 HG LEU 1 36 9.043 5.239 2.188 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 9.670 3.049 1.255 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 9.314 2.948 2.995 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 8.119 2.373 1.808 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 8.522 4.715 -0.161 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 6.923 4.109 0.333 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 7.328 5.828 0.548 1.00 0.00 H new ATOM 485 N THR 1 37 8.398 4.796 6.024 1.00 0.00 N ATOM 486 CA THR 1 37 9.511 4.485 6.916 1.00 0.00 C ATOM 487 C THR 1 37 10.409 3.394 6.351 1.00 0.00 C ATOM 488 O THR 1 37 10.008 2.628 5.474 1.00 0.00 O ATOM 489 CB THR 1 37 9.005 4.067 8.291 1.00 0.00 C ATOM 490 OG1 THR 1 37 7.836 3.280 8.180 1.00 0.00 O ATOM 491 CG2 THR 1 37 8.700 5.245 9.185 1.00 0.00 C ATOM 0 H THR 1 37 7.487 4.470 6.347 1.00 0.00 H new ATOM 0 HA THR 1 37 10.102 5.396 7.009 1.00 0.00 H new ATOM 0 HB THR 1 37 9.813 3.490 8.742 1.00 0.00 H new ATOM 0 HG1 THR 1 37 8.040 2.354 8.429 1.00 0.00 H new ATOM 0 HG21 THR 1 37 8.344 4.886 10.151 1.00 0.00 H new ATOM 0 HG22 THR 1 37 9.604 5.836 9.329 1.00 0.00 H new ATOM 0 HG23 THR 1 37 7.932 5.864 8.722 1.00 0.00 H new ATOM 499 N PRO 1 38 11.647 3.311 6.866 1.00 0.00 N ATOM 500 CA PRO 1 38 12.626 2.311 6.435 1.00 0.00 C ATOM 501 C PRO 1 38 12.099 0.888 6.580 1.00 0.00 C ATOM 502 O PRO 1 38 11.421 0.564 7.555 1.00 0.00 O ATOM 503 CB PRO 1 38 13.818 2.540 7.377 1.00 0.00 C ATOM 504 CG PRO 1 38 13.278 3.345 8.508 1.00 0.00 C ATOM 505 CD PRO 1 38 12.189 4.185 7.918 1.00 0.00 C ATOM 0 HA PRO 1 38 12.877 2.418 5.380 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 14.228 1.594 7.729 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 14.625 3.068 6.869 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 12.892 2.701 9.299 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 14.055 3.966 8.953 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 11.432 4.447 8.658 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 12.573 5.120 7.511 1.00 0.00 H new ATOM 513 N GLY 1 39 12.414 0.044 5.604 1.00 0.00 N ATOM 514 CA GLY 1 39 11.962 -1.334 5.643 1.00 0.00 C ATOM 515 C GLY 1 39 10.692 -1.550 4.845 1.00 0.00 C ATOM 516 O GLY 1 39 10.446 -2.647 4.343 1.00 0.00 O ATOM 0 H GLY 1 39 12.974 0.289 4.787 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 12.747 -1.982 5.253 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 11.791 -1.628 6.679 1.00 0.00 H new ATOM 520 N SER 1 40 9.883 -0.502 4.727 1.00 0.00 N ATOM 521 CA SER 1 40 8.632 -0.585 3.984 1.00 0.00 C ATOM 522 C SER 1 40 8.897 -0.683 2.485 1.00 0.00 C ATOM 523 O SER 1 40 9.545 0.186 1.902 1.00 0.00 O ATOM 524 CB SER 1 40 7.754 0.632 4.280 1.00 0.00 C ATOM 525 OG SER 1 40 6.454 0.467 3.741 1.00 0.00 O ATOM 0 H SER 1 40 10.072 0.413 5.136 1.00 0.00 H new ATOM 0 HA SER 1 40 8.108 -1.486 4.303 1.00 0.00 H new ATOM 0 HB2 SER 1 40 7.688 0.783 5.357 1.00 0.00 H new ATOM 0 HB3 SER 1 40 8.214 1.527 3.861 1.00 0.00 H new ATOM 0 HG SER 1 40 5.786 0.656 4.433 1.00 0.00 H new ATOM 531 N GLN 1 41 8.393 -1.746 1.868 1.00 0.00 N ATOM 532 CA GLN 1 41 8.577 -1.957 0.437 1.00 0.00 C ATOM 533 C GLN 1 41 7.677 -1.029 -0.371 1.00 0.00 C ATOM 534 O GLN 1 41 8.022 -0.624 -1.481 1.00 0.00 O ATOM 535 CB GLN 1 41 8.284 -3.414 0.071 1.00 0.00 C ATOM 536 CG GLN 1 41 9.507 -4.315 0.137 1.00 0.00 C ATOM 537 CD GLN 1 41 9.545 -5.327 -0.991 1.00 0.00 C ATOM 538 OE1 GLN 1 41 10.234 -5.132 -1.993 1.00 0.00 O ATOM 539 NE2 GLN 1 41 8.803 -6.417 -0.834 1.00 0.00 N ATOM 0 H GLN 1 41 7.854 -2.475 2.336 1.00 0.00 H new ATOM 0 HA GLN 1 41 9.615 -1.730 0.194 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 7.520 -3.803 0.744 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 7.870 -3.451 -0.937 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 10.408 -3.702 0.101 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 9.516 -4.840 1.092 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 8.247 -6.538 0.013 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 8.789 -7.133 -1.560 1.00 0.00 H new ATOM 548 N CYS 1 42 6.521 -0.697 0.193 1.00 0.00 N ATOM 549 CA CYS 1 42 5.570 0.182 -0.476 1.00 0.00 C ATOM 550 C CYS 1 42 4.752 0.969 0.538 1.00 0.00 C ATOM 551 O CYS 1 42 4.512 0.508 1.654 1.00 0.00 O ATOM 552 CB CYS 1 42 4.639 -0.630 -1.375 1.00 0.00 C ATOM 553 SG CYS 1 42 3.729 -1.945 -0.503 1.00 0.00 S ATOM 0 H CYS 1 42 6.220 -1.023 1.111 1.00 0.00 H new ATOM 0 HA CYS 1 42 6.134 0.886 -1.088 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 3.922 0.045 -1.843 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 5.225 -1.078 -2.177 1.00 0.00 H new ATOM 558 N ASN 1 43 4.323 2.158 0.138 1.00 0.00 N ATOM 559 CA ASN 1 43 3.525 3.013 1.007 1.00 0.00 C ATOM 560 C ASN 1 43 2.076 2.545 1.033 1.00 0.00 C ATOM 561 O ASN 1 43 1.384 2.686 2.041 1.00 0.00 O ATOM 562 CB ASN 1 43 3.596 4.468 0.536 1.00 0.00 C ATOM 563 CG ASN 1 43 3.371 4.607 -0.957 1.00 0.00 C ATOM 564 OD1 ASN 1 43 2.348 4.172 -1.486 1.00 0.00 O ATOM 565 ND2 ASN 1 43 4.331 5.214 -1.646 1.00 0.00 N ATOM 0 H ASN 1 43 4.514 2.553 -0.783 1.00 0.00 H new ATOM 0 HA ASN 1 43 3.932 2.949 2.016 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 2.849 5.056 1.069 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 4.571 4.883 0.793 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 4.237 5.335 -2.654 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 5.162 5.559 -1.167 1.00 0.00 H new ATOM 572 N TYR 1 44 1.628 1.982 -0.084 1.00 0.00 N ATOM 573 CA TYR 1 44 0.262 1.483 -0.203 1.00 0.00 C ATOM 574 C TYR 1 44 0.021 0.909 -1.595 1.00 0.00 C ATOM 575 O TYR 1 44 0.869 1.027 -2.480 1.00 0.00 O ATOM 576 CB TYR 1 44 -0.747 2.601 0.080 1.00 0.00 C ATOM 577 CG TYR 1 44 -0.764 3.684 -0.974 1.00 0.00 C ATOM 578 CD1 TYR 1 44 -1.366 3.469 -2.206 1.00 0.00 C ATOM 579 CD2 TYR 1 44 -0.177 4.920 -0.737 1.00 0.00 C ATOM 580 CE1 TYR 1 44 -1.384 4.453 -3.174 1.00 0.00 C ATOM 581 CE2 TYR 1 44 -0.190 5.911 -1.697 1.00 0.00 C ATOM 582 CZ TYR 1 44 -0.794 5.674 -2.915 1.00 0.00 C ATOM 583 OH TYR 1 44 -0.809 6.659 -3.876 1.00 0.00 O ATOM 0 H TYR 1 44 2.194 1.859 -0.924 1.00 0.00 H new ATOM 0 HA TYR 1 44 0.126 0.691 0.534 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 -1.744 2.167 0.159 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 -0.517 3.050 1.046 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 -1.829 2.515 -2.411 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 0.298 5.109 0.215 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 -1.856 4.269 -4.128 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 0.270 6.867 -1.496 1.00 0.00 H new ATOM 0 HH TYR 1 44 -0.353 7.456 -3.534 1.00 0.00 H new ATOM 593 N GLY 1 45 -1.138 0.290 -1.784 1.00 0.00 N ATOM 594 CA GLY 1 45 -1.464 -0.288 -3.073 1.00 0.00 C ATOM 595 C GLY 1 45 -2.172 -1.622 -2.952 1.00 0.00 C ATOM 596 O GLY 1 45 -2.403 -2.115 -1.848 1.00 0.00 O ATOM 0 H GLY 1 45 -1.857 0.178 -1.069 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -2.096 0.405 -3.628 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -0.549 -0.418 -3.651 1.00 0.00 H new ATOM 600 N GLU 1 46 -2.517 -2.206 -4.094 1.00 0.00 N ATOM 601 CA GLU 1 46 -3.206 -3.492 -4.121 1.00 0.00 C ATOM 602 C GLU 1 46 -2.374 -4.575 -3.442 1.00 0.00 C ATOM 603 O GLU 1 46 -2.906 -5.434 -2.738 1.00 0.00 O ATOM 604 CB GLU 1 46 -3.496 -3.899 -5.565 1.00 0.00 C ATOM 605 CG GLU 1 46 -4.785 -3.311 -6.117 1.00 0.00 C ATOM 606 CD GLU 1 46 -4.539 -2.186 -7.102 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -3.780 -2.401 -8.071 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -5.105 -1.090 -6.906 1.00 0.00 O ATOM 0 H GLU 1 46 -2.331 -1.809 -5.015 1.00 0.00 H new ATOM 0 HA GLU 1 46 -4.144 -3.384 -3.576 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -2.664 -3.585 -6.196 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -3.548 -4.986 -5.624 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -5.358 -4.098 -6.606 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -5.393 -2.940 -5.292 1.00 0.00 H new ATOM 615 N CYS 1 47 -1.068 -4.533 -3.671 1.00 0.00 N ATOM 616 CA CYS 1 47 -0.153 -5.513 -3.098 1.00 0.00 C ATOM 617 C CYS 1 47 0.433 -5.034 -1.771 1.00 0.00 C ATOM 618 O CYS 1 47 1.131 -5.783 -1.091 1.00 0.00 O ATOM 619 CB CYS 1 47 0.982 -5.790 -4.081 1.00 0.00 C ATOM 620 SG CYS 1 47 0.632 -7.123 -5.265 1.00 0.00 S ATOM 0 H CYS 1 47 -0.616 -3.827 -4.252 1.00 0.00 H new ATOM 0 HA CYS 1 47 -0.719 -6.425 -2.907 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 1.200 -4.876 -4.634 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 1.880 -6.045 -3.519 1.00 0.00 H new ATOM 625 N CYS 1 48 0.163 -3.785 -1.410 1.00 0.00 N ATOM 626 CA CYS 1 48 0.689 -3.228 -0.171 1.00 0.00 C ATOM 627 C CYS 1 48 -0.125 -3.678 1.036 1.00 0.00 C ATOM 628 O CYS 1 48 -1.355 -3.615 1.034 1.00 0.00 O ATOM 629 CB CYS 1 48 0.716 -1.703 -0.249 1.00 0.00 C ATOM 630 SG CYS 1 48 2.228 -0.953 0.438 1.00 0.00 S ATOM 0 H CYS 1 48 -0.413 -3.143 -1.954 1.00 0.00 H new ATOM 0 HA CYS 1 48 1.706 -3.600 -0.044 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 0.614 -1.401 -1.291 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 -0.148 -1.307 0.284 1.00 0.00 H new ATOM 635 N ASP 1 49 0.579 -4.126 2.070 1.00 0.00 N ATOM 636 CA ASP 1 49 -0.056 -4.584 3.298 1.00 0.00 C ATOM 637 C ASP 1 49 0.785 -4.189 4.507 1.00 0.00 C ATOM 638 O ASP 1 49 1.842 -4.768 4.756 1.00 0.00 O ATOM 639 CB ASP 1 49 -0.248 -6.101 3.266 1.00 0.00 C ATOM 640 CG ASP 1 49 -1.338 -6.566 4.211 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -2.292 -5.794 4.442 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -1.238 -7.703 4.719 1.00 0.00 O ATOM 0 H ASP 1 49 1.597 -4.181 2.080 1.00 0.00 H new ATOM 0 HA ASP 1 49 -1.034 -4.109 3.379 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -0.494 -6.412 2.251 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 0.690 -6.589 3.530 1.00 0.00 H new ATOM 647 N GLN 1 50 0.314 -3.193 5.251 1.00 0.00 N ATOM 648 CA GLN 1 50 1.028 -2.712 6.430 1.00 0.00 C ATOM 649 C GLN 1 50 2.298 -1.971 6.022 1.00 0.00 C ATOM 650 O GLN 1 50 2.399 -0.755 6.188 1.00 0.00 O ATOM 651 CB GLN 1 50 1.377 -3.876 7.362 1.00 0.00 C ATOM 652 CG GLN 1 50 1.275 -3.525 8.837 1.00 0.00 C ATOM 653 CD GLN 1 50 2.104 -4.444 9.713 1.00 0.00 C ATOM 654 OE1 GLN 1 50 3.215 -4.100 10.118 1.00 0.00 O ATOM 655 NE2 GLN 1 50 1.567 -5.621 10.011 1.00 0.00 N ATOM 0 H GLN 1 50 -0.559 -2.703 5.059 1.00 0.00 H new ATOM 0 HA GLN 1 50 0.375 -2.021 6.963 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 0.712 -4.713 7.149 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 2.391 -4.212 7.146 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 1.601 -2.496 8.985 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 0.232 -3.576 9.148 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 0.643 -5.865 9.654 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 2.078 -6.281 10.597 1.00 0.00 H new ATOM 664 N CYS 1 51 3.262 -2.710 5.482 1.00 0.00 N ATOM 665 CA CYS 1 51 4.523 -2.119 5.046 1.00 0.00 C ATOM 666 C CYS 1 51 5.324 -3.100 4.190 1.00 0.00 C ATOM 667 O CYS 1 51 6.554 -3.050 4.160 1.00 0.00 O ATOM 668 CB CYS 1 51 5.350 -1.679 6.258 1.00 0.00 C ATOM 669 SG CYS 1 51 5.356 0.123 6.536 1.00 0.00 S ATOM 0 H CYS 1 51 3.195 -3.717 5.336 1.00 0.00 H new ATOM 0 HA CYS 1 51 4.293 -1.245 4.436 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 4.961 -2.173 7.149 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 6.377 -2.020 6.127 1.00 0.00 H new ATOM 674 N ARG 1 52 4.620 -3.987 3.493 1.00 0.00 N ATOM 675 CA ARG 1 52 5.266 -4.975 2.634 1.00 0.00 C ATOM 676 C ARG 1 52 4.331 -5.404 1.508 1.00 0.00 C ATOM 677 O ARG 1 52 3.145 -5.075 1.517 1.00 0.00 O ATOM 678 CB ARG 1 52 5.690 -6.200 3.450 1.00 0.00 C ATOM 679 CG ARG 1 52 6.683 -5.887 4.560 1.00 0.00 C ATOM 680 CD ARG 1 52 8.005 -5.382 4.003 1.00 0.00 C ATOM 681 NE ARG 1 52 8.810 -6.463 3.440 1.00 0.00 N ATOM 682 CZ ARG 1 52 9.375 -7.423 4.168 1.00 0.00 C ATOM 683 NH1 ARG 1 52 9.226 -7.441 5.487 1.00 0.00 N ATOM 684 NH2 ARG 1 52 10.092 -8.369 3.576 1.00 0.00 N ATOM 0 H ARG 1 52 3.602 -4.042 3.506 1.00 0.00 H new ATOM 0 HA ARG 1 52 6.153 -4.515 2.198 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 4.803 -6.658 3.888 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 6.131 -6.937 2.779 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 6.259 -5.137 5.228 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 6.857 -6.783 5.156 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 7.812 -4.635 3.233 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 8.566 -4.886 4.795 1.00 0.00 H new ATOM 0 HE ARG 1 52 8.947 -6.483 2.429 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 8.676 -6.716 5.948 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 9.662 -8.180 6.039 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 10.210 -8.361 2.563 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 10.525 -9.105 4.134 1.00 0.00 H new ATOM 698 N PHE 1 53 4.868 -6.140 0.539 1.00 0.00 N ATOM 699 CA PHE 1 53 4.070 -6.608 -0.588 1.00 0.00 C ATOM 700 C PHE 1 53 3.373 -7.918 -0.255 1.00 0.00 C ATOM 701 O PHE 1 53 3.920 -8.762 0.454 1.00 0.00 O ATOM 702 CB PHE 1 53 4.940 -6.795 -1.834 1.00 0.00 C ATOM 703 CG PHE 1 53 5.307 -5.508 -2.515 1.00 0.00 C ATOM 704 CD1 PHE 1 53 4.405 -4.458 -2.577 1.00 0.00 C ATOM 705 CD2 PHE 1 53 6.556 -5.348 -3.093 1.00 0.00 C ATOM 706 CE1 PHE 1 53 4.739 -3.276 -3.201 1.00 0.00 C ATOM 707 CE2 PHE 1 53 6.897 -4.165 -3.721 1.00 0.00 C ATOM 708 CZ PHE 1 53 5.987 -3.127 -3.775 1.00 0.00 C ATOM 0 H PHE 1 53 5.847 -6.424 0.512 1.00 0.00 H new ATOM 0 HA PHE 1 53 3.316 -5.848 -0.792 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 5.853 -7.320 -1.553 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 4.411 -7.432 -2.543 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 3.428 -4.568 -2.131 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 7.271 -6.157 -3.052 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 4.026 -2.466 -3.241 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 7.873 -4.052 -4.169 1.00 0.00 H new ATOM 0 HZ PHE 1 53 6.250 -2.201 -4.265 1.00 0.00 H new ATOM 718 N LYS 1 54 2.167 -8.085 -0.781 1.00 0.00 N ATOM 719 CA LYS 1 54 1.403 -9.302 -0.546 1.00 0.00 C ATOM 720 C LYS 1 54 2.088 -10.487 -1.213 1.00 0.00 C ATOM 721 O LYS 1 54 2.040 -10.631 -2.432 1.00 0.00 O ATOM 722 CB LYS 1 54 -0.022 -9.151 -1.081 1.00 0.00 C ATOM 723 CG LYS 1 54 -0.799 -8.016 -0.434 1.00 0.00 C ATOM 724 CD LYS 1 54 -1.695 -8.521 0.685 1.00 0.00 C ATOM 725 CE LYS 1 54 -2.563 -7.408 1.249 1.00 0.00 C ATOM 726 NZ LYS 1 54 -3.928 -7.413 0.654 1.00 0.00 N ATOM 0 H LYS 1 54 1.699 -7.397 -1.370 1.00 0.00 H new ATOM 0 HA LYS 1 54 1.354 -9.479 0.528 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 0.019 -8.984 -2.157 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -0.561 -10.085 -0.923 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -0.103 -7.276 -0.038 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -1.405 -7.513 -1.187 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -2.329 -9.324 0.310 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -1.082 -8.944 1.481 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -2.638 -7.519 2.331 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -2.088 -6.446 1.059 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -4.489 -6.639 1.065 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -3.858 -7.282 -0.375 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -4.392 -8.322 0.857 1.00 0.00 H new ATOM 740 N LYS 1 55 2.734 -11.329 -0.407 1.00 0.00 N ATOM 741 CA LYS 1 55 3.441 -12.503 -0.919 1.00 0.00 C ATOM 742 C LYS 1 55 2.744 -13.080 -2.145 1.00 0.00 C ATOM 743 O LYS 1 55 1.536 -13.336 -2.123 1.00 0.00 O ATOM 744 CB LYS 1 55 3.548 -13.573 0.170 1.00 0.00 C ATOM 745 CG LYS 1 55 4.331 -14.803 -0.259 1.00 0.00 C ATOM 746 CD LYS 1 55 4.198 -15.929 0.753 1.00 0.00 C ATOM 747 CE LYS 1 55 2.928 -16.733 0.529 1.00 0.00 C ATOM 748 NZ LYS 1 55 2.406 -17.312 1.797 1.00 0.00 N ATOM 0 H LYS 1 55 2.782 -11.220 0.606 1.00 0.00 H new ATOM 0 HA LYS 1 55 4.441 -12.187 -1.214 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 4.024 -13.138 1.049 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 2.545 -13.877 0.468 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 3.974 -15.142 -1.231 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 5.383 -14.543 -0.379 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 5.064 -16.587 0.682 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 4.194 -15.515 1.761 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 2.167 -16.093 0.082 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 3.127 -17.535 -0.181 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 1.539 -17.853 1.601 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 3.122 -17.943 2.211 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 2.192 -16.545 2.466 1.00 0.00 H new ATOM 762 N ALA 1 56 3.507 -13.269 -3.221 1.00 0.00 N ATOM 763 CA ALA 1 56 2.958 -13.804 -4.459 1.00 0.00 C ATOM 764 C ALA 1 56 1.950 -14.899 -4.171 1.00 0.00 C ATOM 765 O ALA 1 56 2.202 -15.797 -3.368 1.00 0.00 O ATOM 766 CB ALA 1 56 4.054 -14.338 -5.359 1.00 0.00 C ATOM 0 H ALA 1 56 4.505 -13.059 -3.257 1.00 0.00 H new ATOM 0 HA ALA 1 56 2.455 -12.986 -4.975 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 3.613 -14.731 -6.275 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 4.747 -13.533 -5.605 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 4.591 -15.135 -4.845 1.00 0.00 H new ATOM 772 N GLY 1 57 0.800 -14.804 -4.808 1.00 0.00 N ATOM 773 CA GLY 1 57 -0.243 -15.781 -4.581 1.00 0.00 C ATOM 774 C GLY 1 57 -1.447 -15.157 -3.914 1.00 0.00 C ATOM 775 O GLY 1 57 -2.522 -15.755 -3.868 1.00 0.00 O ATOM 0 H GLY 1 57 0.567 -14.071 -5.478 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -0.541 -16.225 -5.531 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 0.142 -16.589 -3.958 1.00 0.00 H new ATOM 779 N THR 1 58 -1.270 -13.937 -3.407 1.00 0.00 N ATOM 780 CA THR 1 58 -2.357 -13.219 -2.762 1.00 0.00 C ATOM 781 C THR 1 58 -3.272 -12.612 -3.818 1.00 0.00 C ATOM 782 O THR 1 58 -2.841 -11.783 -4.619 1.00 0.00 O ATOM 783 CB THR 1 58 -1.812 -12.113 -1.859 1.00 0.00 C ATOM 784 OG1 THR 1 58 -0.948 -12.648 -0.872 1.00 0.00 O ATOM 785 CG2 THR 1 58 -2.905 -11.349 -1.152 1.00 0.00 C ATOM 0 H THR 1 58 -0.385 -13.431 -3.433 1.00 0.00 H new ATOM 0 HA THR 1 58 -2.921 -13.923 -2.150 1.00 0.00 H new ATOM 0 HB THR 1 58 -1.273 -11.431 -2.517 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -0.092 -12.891 -1.283 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -2.461 -10.576 -0.524 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -3.561 -10.886 -1.889 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -3.484 -12.033 -0.531 1.00 0.00 H new ATOM 793 N VAL 1 59 -4.531 -13.031 -3.827 1.00 0.00 N ATOM 794 CA VAL 1 59 -5.483 -12.523 -4.803 1.00 0.00 C ATOM 795 C VAL 1 59 -5.966 -11.123 -4.435 1.00 0.00 C ATOM 796 O VAL 1 59 -6.608 -10.930 -3.403 1.00 0.00 O ATOM 797 CB VAL 1 59 -6.705 -13.454 -4.948 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -7.454 -13.564 -3.628 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -7.627 -12.962 -6.056 1.00 0.00 C ATOM 0 H VAL 1 59 -4.913 -13.716 -3.175 1.00 0.00 H new ATOM 0 HA VAL 1 59 -4.954 -12.482 -5.755 1.00 0.00 H new ATOM 0 HB VAL 1 59 -6.349 -14.448 -5.220 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -8.312 -14.225 -3.751 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -6.790 -13.970 -2.865 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -7.798 -12.576 -3.321 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -8.482 -13.632 -6.142 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -7.976 -11.957 -5.819 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -7.083 -12.944 -7.001 1.00 0.00 H new ATOM 809 N CYS 1 60 -5.660 -10.150 -5.289 1.00 0.00 N ATOM 810 CA CYS 1 60 -6.074 -8.771 -5.048 1.00 0.00 C ATOM 811 C CYS 1 60 -7.305 -8.406 -5.877 1.00 0.00 C ATOM 812 O CYS 1 60 -8.068 -7.512 -5.509 1.00 0.00 O ATOM 813 CB CYS 1 60 -4.940 -7.801 -5.379 1.00 0.00 C ATOM 814 SG CYS 1 60 -3.329 -8.256 -4.666 1.00 0.00 S ATOM 0 H CYS 1 60 -5.130 -10.289 -6.149 1.00 0.00 H new ATOM 0 HA CYS 1 60 -6.326 -8.690 -3.991 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -4.839 -7.736 -6.462 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -5.213 -6.807 -5.024 1.00 0.00 H new ATOM 819 N ARG 1 61 -7.482 -9.089 -7.004 1.00 0.00 N ATOM 820 CA ARG 1 61 -8.611 -8.822 -7.894 1.00 0.00 C ATOM 821 C ARG 1 61 -9.097 -10.099 -8.577 1.00 0.00 C ATOM 822 O ARG 1 61 -8.583 -11.190 -8.327 1.00 0.00 O ATOM 823 CB ARG 1 61 -8.217 -7.783 -8.955 1.00 0.00 C ATOM 824 CG ARG 1 61 -9.179 -6.607 -9.044 1.00 0.00 C ATOM 825 CD ARG 1 61 -9.264 -6.029 -10.457 1.00 0.00 C ATOM 826 NE ARG 1 61 -8.022 -6.186 -11.219 1.00 0.00 N ATOM 827 CZ ARG 1 61 -6.854 -5.658 -10.860 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -6.762 -4.898 -9.776 1.00 0.00 N ATOM 829 NH2 ARG 1 61 -5.775 -5.880 -11.599 1.00 0.00 N ATOM 0 H ARG 1 61 -6.860 -9.831 -7.324 1.00 0.00 H new ATOM 0 HA ARG 1 61 -9.426 -8.429 -7.287 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -7.218 -7.408 -8.731 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -8.163 -8.272 -9.928 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -10.171 -6.928 -8.725 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -8.859 -5.826 -8.354 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -10.077 -6.517 -10.994 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -9.514 -4.970 -10.395 1.00 0.00 H new ATOM 0 HE ARG 1 61 -8.055 -6.734 -12.078 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -7.591 -4.714 -9.210 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 -5.863 -4.498 -9.509 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 -5.842 -6.454 -12.440 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 -4.879 -5.477 -11.327 1.00 0.00 H new ATOM 843 N ILE 1 62 -10.090 -9.948 -9.444 1.00 0.00 N ATOM 844 CA ILE 1 62 -10.653 -11.069 -10.182 1.00 0.00 C ATOM 845 C ILE 1 62 -11.769 -10.589 -11.093 1.00 0.00 C ATOM 846 O ILE 1 62 -12.615 -9.790 -10.692 1.00 0.00 O ATOM 847 CB ILE 1 62 -11.196 -12.166 -9.247 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -11.811 -13.311 -10.057 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -12.221 -11.586 -8.288 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -10.816 -14.037 -10.935 1.00 0.00 C ATOM 0 H ILE 1 62 -10.525 -9.050 -9.654 1.00 0.00 H new ATOM 0 HA ILE 1 62 -9.846 -11.500 -10.774 1.00 0.00 H new ATOM 0 HB ILE 1 62 -10.364 -12.564 -8.667 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -12.267 -14.026 -9.371 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -12.611 -12.914 -10.681 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -12.595 -12.374 -7.634 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -11.755 -10.806 -7.686 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -13.050 -11.161 -8.854 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -11.324 -14.834 -11.478 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -10.378 -13.336 -11.645 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -10.028 -14.465 -10.315 1.00 0.00 H new ATOM 862 N ALA 1 63 -11.760 -11.075 -12.322 1.00 0.00 N ATOM 863 CA ALA 1 63 -12.770 -10.686 -13.293 1.00 0.00 C ATOM 864 C ALA 1 63 -14.163 -11.135 -12.838 1.00 0.00 C ATOM 865 O ALA 1 63 -14.799 -10.455 -12.033 1.00 0.00 O ATOM 866 CB ALA 1 63 -12.413 -11.217 -14.677 1.00 0.00 C ATOM 0 H ALA 1 63 -11.067 -11.737 -12.671 1.00 0.00 H new ATOM 0 HA ALA 1 63 -12.794 -9.598 -13.361 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -13.180 -10.916 -15.391 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -11.450 -10.810 -14.986 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -12.353 -12.305 -14.645 1.00 0.00 H new ATOM 872 N ARG 1 64 -14.636 -12.277 -13.334 1.00 0.00 N ATOM 873 CA ARG 1 64 -15.948 -12.785 -12.942 1.00 0.00 C ATOM 874 C ARG 1 64 -15.937 -14.305 -12.812 1.00 0.00 C ATOM 875 O ARG 1 64 -16.285 -15.018 -13.752 1.00 0.00 O ATOM 876 CB ARG 1 64 -17.007 -12.358 -13.961 1.00 0.00 C ATOM 877 CG ARG 1 64 -18.376 -12.114 -13.350 1.00 0.00 C ATOM 878 CD ARG 1 64 -18.355 -10.936 -12.389 1.00 0.00 C ATOM 879 NE ARG 1 64 -19.699 -10.556 -11.959 1.00 0.00 N ATOM 880 CZ ARG 1 64 -20.391 -11.209 -11.028 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -19.871 -12.272 -10.428 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -21.607 -10.796 -10.695 1.00 0.00 N ATOM 0 H ARG 1 64 -14.135 -12.863 -14.002 1.00 0.00 H new ATOM 0 HA ARG 1 64 -16.193 -12.361 -11.968 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -16.673 -11.448 -14.459 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -17.093 -13.128 -14.728 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -19.101 -11.926 -14.142 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -18.705 -13.009 -12.823 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -17.754 -11.191 -11.516 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -17.874 -10.084 -12.870 1.00 0.00 H new ATOM 0 HE ARG 1 64 -20.132 -9.743 -12.398 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -18.936 -12.593 -10.679 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -20.406 -12.768 -9.715 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -22.011 -9.979 -11.152 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -22.138 -11.296 -9.982 1.00 0.00 H new ATOM 896 N GLY 1 65 -15.550 -14.802 -11.645 1.00 0.00 N ATOM 897 CA GLY 1 65 -15.513 -16.236 -11.434 1.00 0.00 C ATOM 898 C GLY 1 65 -14.157 -16.716 -10.970 1.00 0.00 C ATOM 899 O GLY 1 65 -13.786 -16.534 -9.810 1.00 0.00 O ATOM 0 H GLY 1 65 -15.262 -14.241 -10.843 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -16.265 -16.511 -10.695 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -15.777 -16.744 -12.362 1.00 0.00 H new ATOM 903 N ASP 1 66 -13.411 -17.326 -11.883 1.00 0.00 N ATOM 904 CA ASP 1 66 -12.081 -17.831 -11.569 1.00 0.00 C ATOM 905 C ASP 1 66 -11.452 -18.519 -12.776 1.00 0.00 C ATOM 906 O ASP 1 66 -11.638 -19.716 -12.994 1.00 0.00 O ATOM 907 CB ASP 1 66 -12.137 -18.798 -10.385 1.00 0.00 C ATOM 908 CG ASP 1 66 -13.228 -19.840 -10.540 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -14.418 -19.471 -10.449 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -12.893 -21.024 -10.753 1.00 0.00 O ATOM 0 H ASP 1 66 -13.705 -17.483 -12.847 1.00 0.00 H new ATOM 0 HA ASP 1 66 -11.459 -16.978 -11.299 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -11.174 -19.297 -10.281 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -12.304 -18.235 -9.467 1.00 0.00 H new ATOM 915 N TRP 1 67 -10.703 -17.746 -13.550 1.00 0.00 N ATOM 916 CA TRP 1 67 -10.028 -18.256 -14.739 1.00 0.00 C ATOM 917 C TRP 1 67 -8.526 -18.057 -14.616 1.00 0.00 C ATOM 918 O TRP 1 67 -7.760 -19.010 -14.473 1.00 0.00 O ATOM 919 CB TRP 1 67 -10.537 -17.535 -15.994 1.00 0.00 C ATOM 920 CG TRP 1 67 -11.469 -16.396 -15.700 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -11.170 -15.215 -15.072 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -12.858 -16.335 -16.022 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -12.292 -14.436 -14.981 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -13.340 -15.098 -15.562 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -13.739 -17.209 -16.656 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -14.665 -14.714 -15.717 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -15.058 -16.828 -16.812 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -15.510 -15.588 -16.344 1.00 0.00 C ATOM 0 H TRP 1 67 -10.546 -16.754 -13.375 1.00 0.00 H new ATOM 0 HA TRP 1 67 -10.245 -19.321 -14.826 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -9.683 -17.158 -16.557 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -11.048 -18.255 -16.634 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -10.193 -14.940 -14.703 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -12.339 -13.513 -14.550 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -13.397 -18.167 -17.019 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -15.016 -13.759 -15.355 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -15.750 -17.496 -17.302 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -16.546 -15.316 -16.481 1.00 0.00 H new ATOM 939 N ASN 1 68 -8.129 -16.797 -14.666 1.00 0.00 N ATOM 940 CA ASN 1 68 -6.732 -16.411 -14.556 1.00 0.00 C ATOM 941 C ASN 1 68 -6.465 -15.818 -13.183 1.00 0.00 C ATOM 942 O ASN 1 68 -5.363 -15.930 -12.646 1.00 0.00 O ATOM 943 CB ASN 1 68 -6.377 -15.380 -15.626 1.00 0.00 C ATOM 944 CG ASN 1 68 -7.137 -15.594 -16.924 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -8.419 -15.236 -16.929 1.00 0.00 O flip ATOM 946 ND2 ASN 1 68 -6.578 -16.075 -17.910 1.00 0.00 N flip ATOM 0 H ASN 1 68 -8.768 -16.011 -14.784 1.00 0.00 H new ATOM 0 HA ASN 1 68 -6.117 -17.300 -14.698 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -6.590 -14.381 -15.246 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -5.306 -15.424 -15.826 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -5.593 -16.335 -17.861 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -7.100 -16.213 -18.775 1.00 0.00 H new ATOM 953 N ASP 1 69 -7.492 -15.186 -12.624 1.00 0.00 N ATOM 954 CA ASP 1 69 -7.393 -14.572 -11.312 1.00 0.00 C ATOM 955 C ASP 1 69 -6.372 -13.453 -11.290 1.00 0.00 C ATOM 956 O ASP 1 69 -5.567 -13.300 -12.209 1.00 0.00 O ATOM 957 CB ASP 1 69 -6.997 -15.607 -10.273 1.00 0.00 C ATOM 958 CG ASP 1 69 -8.146 -16.514 -9.880 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -8.572 -17.332 -10.723 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -8.622 -16.406 -8.730 1.00 0.00 O ATOM 0 H ASP 1 69 -8.406 -15.087 -13.065 1.00 0.00 H new ATOM 0 HA ASP 1 69 -8.374 -14.158 -11.080 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -6.179 -16.213 -10.663 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -6.621 -15.099 -9.385 1.00 0.00 H new ATOM 965 N ASP 1 70 -6.395 -12.699 -10.204 1.00 0.00 N ATOM 966 CA ASP 1 70 -5.460 -11.614 -10.004 1.00 0.00 C ATOM 967 C ASP 1 70 -4.632 -11.906 -8.774 1.00 0.00 C ATOM 968 O ASP 1 70 -5.171 -12.037 -7.679 1.00 0.00 O ATOM 969 CB ASP 1 70 -6.194 -10.286 -9.850 1.00 0.00 C ATOM 970 CG ASP 1 70 -5.240 -9.111 -9.808 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -4.068 -9.318 -9.432 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -5.662 -7.988 -10.146 1.00 0.00 O ATOM 0 H ASP 1 70 -7.061 -12.824 -9.441 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.810 -11.532 -10.875 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -6.890 -10.158 -10.679 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -6.787 -10.304 -8.936 1.00 0.00 H new ATOM 977 N TYR 1 71 -3.330 -12.059 -8.959 1.00 0.00 N ATOM 978 CA TYR 1 71 -2.464 -12.396 -7.846 1.00 0.00 C ATOM 979 C TYR 1 71 -1.222 -11.535 -7.768 1.00 0.00 C ATOM 980 O TYR 1 71 -0.635 -11.158 -8.782 1.00 0.00 O ATOM 981 CB TYR 1 71 -2.050 -13.851 -7.960 1.00 0.00 C ATOM 982 CG TYR 1 71 -3.151 -14.802 -7.597 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -3.489 -14.993 -6.274 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -3.847 -15.506 -8.568 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -4.488 -15.861 -5.910 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -4.855 -16.379 -8.223 1.00 0.00 C ATOM 987 CZ TYR 1 71 -5.175 -16.557 -6.888 1.00 0.00 C ATOM 988 OH TYR 1 71 -6.178 -17.430 -6.533 1.00 0.00 O ATOM 0 H TYR 1 71 -2.857 -11.956 -9.857 1.00 0.00 H new ATOM 0 HA TYR 1 71 -3.035 -12.215 -6.936 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -1.725 -14.052 -8.981 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -1.193 -14.031 -7.311 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -2.957 -14.448 -5.508 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -3.595 -15.368 -9.609 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -4.736 -15.999 -4.868 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -5.392 -16.920 -8.988 1.00 0.00 H new ATOM 0 HH TYR 1 71 -6.559 -17.836 -7.340 1.00 0.00 H new ATOM 998 N CYS 1 72 -0.815 -11.257 -6.538 1.00 0.00 N ATOM 999 CA CYS 1 72 0.375 -10.469 -6.286 1.00 0.00 C ATOM 1000 C CYS 1 72 1.617 -11.248 -6.701 1.00 0.00 C ATOM 1001 O CYS 1 72 1.564 -12.467 -6.874 1.00 0.00 O ATOM 1002 CB CYS 1 72 0.457 -10.104 -4.807 1.00 0.00 C ATOM 1003 SG CYS 1 72 1.580 -8.718 -4.456 1.00 0.00 S ATOM 0 H CYS 1 72 -1.298 -11.570 -5.696 1.00 0.00 H new ATOM 0 HA CYS 1 72 0.321 -9.553 -6.874 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -0.541 -9.851 -4.449 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 0.786 -10.978 -4.244 1.00 0.00 H new ATOM 1008 N THR 1 73 2.731 -10.542 -6.861 1.00 0.00 N ATOM 1009 CA THR 1 73 3.983 -11.176 -7.259 1.00 0.00 C ATOM 1010 C THR 1 73 5.085 -10.926 -6.231 1.00 0.00 C ATOM 1011 O THR 1 73 6.251 -11.240 -6.471 1.00 0.00 O ATOM 1012 CB THR 1 73 4.420 -10.661 -8.632 1.00 0.00 C ATOM 1013 OG1 THR 1 73 5.076 -9.411 -8.513 1.00 0.00 O ATOM 1014 CG2 THR 1 73 3.268 -10.486 -9.599 1.00 0.00 C ATOM 0 H THR 1 73 2.793 -9.533 -6.722 1.00 0.00 H new ATOM 0 HA THR 1 73 3.812 -12.251 -7.315 1.00 0.00 H new ATOM 0 HB THR 1 73 5.092 -11.423 -9.027 1.00 0.00 H new ATOM 0 HG1 THR 1 73 5.349 -9.099 -9.401 1.00 0.00 H new ATOM 0 HG21 THR 1 73 3.646 -10.119 -10.553 1.00 0.00 H new ATOM 0 HG22 THR 1 73 2.771 -11.444 -9.750 1.00 0.00 H new ATOM 0 HG23 THR 1 73 2.556 -9.769 -9.191 1.00 0.00 H new ATOM 1022 N GLY 1 74 4.712 -10.362 -5.083 1.00 0.00 N ATOM 1023 CA GLY 1 74 5.682 -10.084 -4.039 1.00 0.00 C ATOM 1024 C GLY 1 74 6.881 -9.302 -4.540 1.00 0.00 C ATOM 1025 O GLY 1 74 7.962 -9.371 -3.955 1.00 0.00 O ATOM 0 H GLY 1 74 3.754 -10.093 -4.859 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 5.197 -9.523 -3.240 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 6.023 -11.025 -3.607 1.00 0.00 H new ATOM 1029 N LYS 1 75 6.694 -8.558 -5.626 1.00 0.00 N ATOM 1030 CA LYS 1 75 7.777 -7.766 -6.199 1.00 0.00 C ATOM 1031 C LYS 1 75 7.297 -6.378 -6.624 1.00 0.00 C ATOM 1032 O LYS 1 75 8.027 -5.642 -7.288 1.00 0.00 O ATOM 1033 CB LYS 1 75 8.385 -8.492 -7.400 1.00 0.00 C ATOM 1034 CG LYS 1 75 8.759 -9.938 -7.112 1.00 0.00 C ATOM 1035 CD LYS 1 75 10.167 -10.257 -7.589 1.00 0.00 C ATOM 1036 CE LYS 1 75 10.583 -11.665 -7.194 1.00 0.00 C ATOM 1037 NZ LYS 1 75 10.404 -11.908 -5.735 1.00 0.00 N ATOM 0 H LYS 1 75 5.807 -8.487 -6.125 1.00 0.00 H new ATOM 0 HA LYS 1 75 8.536 -7.640 -5.427 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 7.675 -8.467 -8.227 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 9.274 -7.954 -7.727 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 8.685 -10.127 -6.041 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 8.048 -10.603 -7.603 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 10.218 -10.152 -8.673 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 10.868 -9.537 -7.166 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 9.995 -12.389 -7.758 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 11.627 -11.824 -7.463 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 10.978 -12.726 -5.446 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 10.707 -11.067 -5.203 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 9.402 -12.101 -5.536 1.00 0.00 H new ATOM 1051 N SER 1 76 6.073 -6.020 -6.242 1.00 0.00 N ATOM 1052 CA SER 1 76 5.523 -4.716 -6.595 1.00 0.00 C ATOM 1053 C SER 1 76 4.199 -4.462 -5.880 1.00 0.00 C ATOM 1054 O SER 1 76 3.614 -5.370 -5.290 1.00 0.00 O ATOM 1055 CB SER 1 76 5.324 -4.617 -8.108 1.00 0.00 C ATOM 1056 OG SER 1 76 6.479 -4.094 -8.742 1.00 0.00 O ATOM 0 H SER 1 76 5.448 -6.610 -5.692 1.00 0.00 H new ATOM 0 HA SER 1 76 6.235 -3.955 -6.275 1.00 0.00 H new ATOM 0 HB2 SER 1 76 5.098 -5.603 -8.513 1.00 0.00 H new ATOM 0 HB3 SER 1 76 4.467 -3.980 -8.324 1.00 0.00 H new ATOM 0 HG SER 1 76 7.268 -4.598 -8.452 1.00 0.00 H new ATOM 1062 N SER 1 77 3.732 -3.218 -5.944 1.00 0.00 N ATOM 1063 CA SER 1 77 2.474 -2.833 -5.310 1.00 0.00 C ATOM 1064 C SER 1 77 1.290 -3.055 -6.250 1.00 0.00 C ATOM 1065 O SER 1 77 0.177 -2.610 -5.972 1.00 0.00 O ATOM 1066 CB SER 1 77 2.527 -1.364 -4.881 1.00 0.00 C ATOM 1067 OG SER 1 77 2.152 -0.505 -5.945 1.00 0.00 O ATOM 0 H SER 1 77 4.207 -2.457 -6.430 1.00 0.00 H new ATOM 0 HA SER 1 77 2.336 -3.462 -4.431 1.00 0.00 H new ATOM 0 HB2 SER 1 77 1.862 -1.206 -4.031 1.00 0.00 H new ATOM 0 HB3 SER 1 77 3.535 -1.116 -4.548 1.00 0.00 H new ATOM 0 HG SER 1 77 2.193 0.427 -5.643 1.00 0.00 H new ATOM 1073 N ASP 1 78 1.534 -3.743 -7.364 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.483 -4.015 -8.335 1.00 0.00 C ATOM 1075 C ASP 1 78 0.136 -5.499 -8.365 1.00 0.00 C ATOM 1076 O ASP 1 78 1.007 -6.356 -8.215 1.00 0.00 O ATOM 1077 CB ASP 1 78 0.915 -3.552 -9.728 1.00 0.00 C ATOM 1078 CG ASP 1 78 0.824 -2.048 -9.892 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 1.262 -1.323 -8.973 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 0.316 -1.594 -10.938 1.00 0.00 O ATOM 0 H ASP 1 78 2.448 -4.120 -7.614 1.00 0.00 H new ATOM 0 HA ASP 1 78 -0.406 -3.461 -8.033 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 1.940 -3.873 -9.913 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 0.289 -4.035 -10.479 1.00 0.00 H new ATOM 1085 N CYS 1 79 -1.144 -5.792 -8.558 1.00 0.00 N ATOM 1086 CA CYS 1 79 -1.621 -7.169 -8.609 1.00 0.00 C ATOM 1087 C CYS 1 79 -2.228 -7.477 -9.980 1.00 0.00 C ATOM 1088 O CYS 1 79 -3.356 -7.077 -10.267 1.00 0.00 O ATOM 1089 CB CYS 1 79 -2.661 -7.398 -7.510 1.00 0.00 C ATOM 1090 SG CYS 1 79 -2.180 -8.660 -6.288 1.00 0.00 S ATOM 0 H CYS 1 79 -1.874 -5.091 -8.682 1.00 0.00 H new ATOM 0 HA CYS 1 79 -0.776 -7.838 -8.448 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -2.841 -6.456 -6.993 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.603 -7.694 -7.971 1.00 0.00 H new ATOM 1095 N PRO 1 80 -1.489 -8.190 -10.851 1.00 0.00 N ATOM 1096 CA PRO 1 80 -1.970 -8.540 -12.196 1.00 0.00 C ATOM 1097 C PRO 1 80 -3.133 -9.531 -12.167 1.00 0.00 C ATOM 1098 O PRO 1 80 -3.054 -10.574 -11.521 1.00 0.00 O ATOM 1099 CB PRO 1 80 -0.744 -9.176 -12.858 1.00 0.00 C ATOM 1100 CG PRO 1 80 0.082 -9.678 -11.726 1.00 0.00 C ATOM 1101 CD PRO 1 80 -0.129 -8.705 -10.601 1.00 0.00 C ATOM 0 HA PRO 1 80 -2.357 -7.669 -12.725 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 -1.032 -9.987 -13.528 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 -0.195 -8.448 -13.456 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -0.223 -10.683 -11.436 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 1.135 -9.732 -12.004 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 -0.055 -9.192 -9.629 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 0.613 -7.906 -10.615 1.00 0.00 H new ATOM 1109 N TRP 1 81 -4.210 -9.190 -12.873 1.00 0.00 N ATOM 1110 CA TRP 1 81 -5.402 -10.043 -12.934 1.00 0.00 C ATOM 1111 C TRP 1 81 -5.412 -10.944 -14.163 1.00 0.00 C ATOM 1112 O TRP 1 81 -6.175 -11.907 -14.236 1.00 0.00 O ATOM 1113 CB TRP 1 81 -6.675 -9.201 -12.899 1.00 0.00 C ATOM 1114 CG TRP 1 81 -6.816 -8.218 -14.024 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 -5.854 -7.774 -14.888 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 -8.019 -7.550 -14.393 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 -6.392 -6.858 -15.760 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 -7.723 -6.707 -15.474 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -9.318 -7.588 -13.901 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 -8.687 -5.903 -16.071 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 -10.280 -6.793 -14.493 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 -9.959 -5.958 -15.569 1.00 0.00 C ATOM 0 H TRP 1 81 -4.284 -8.328 -13.413 1.00 0.00 H new ATOM 0 HA TRP 1 81 -5.369 -10.685 -12.054 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -7.536 -9.870 -12.911 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -6.707 -8.657 -11.955 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 -4.823 -8.096 -14.886 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 -5.884 -6.371 -16.498 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -9.571 -8.229 -13.069 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 -8.441 -5.258 -16.901 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 -11.293 -6.816 -14.120 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 -10.730 -5.345 -16.012 1.00 0.00 H new ATOM 1133 N ASN 1 82 -4.563 -10.626 -15.117 1.00 0.00 N ATOM 1134 CA ASN 1 82 -4.458 -11.397 -16.351 1.00 0.00 C ATOM 1135 C ASN 1 82 -5.776 -11.380 -17.120 1.00 0.00 C ATOM 1136 O ASN 1 82 -6.202 -12.398 -17.666 1.00 0.00 O ATOM 1137 CB ASN 1 82 -4.053 -12.840 -16.042 1.00 0.00 C ATOM 1138 CG ASN 1 82 -2.711 -12.926 -15.342 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -1.679 -13.141 -15.977 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -2.719 -12.758 -14.024 1.00 0.00 N ATOM 0 H ASN 1 82 -3.926 -9.831 -15.066 1.00 0.00 H new ATOM 0 HA ASN 1 82 -3.691 -10.936 -16.973 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -4.816 -13.303 -15.417 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -4.013 -13.410 -16.970 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -1.846 -12.805 -13.499 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -3.598 -12.582 -13.538 1.00 0.00 H new ATOM 1147 N HIS 1 83 -6.417 -10.216 -17.160 1.00 0.00 N ATOM 1148 CA HIS 1 83 -7.686 -10.066 -17.862 1.00 0.00 C ATOM 1149 C HIS 1 83 -7.681 -8.817 -18.737 1.00 0.00 C ATOM 1150 O HIS 1 83 -6.824 -7.938 -18.507 1.00 0.00 O ATOM 1151 CB HIS 1 83 -8.838 -9.997 -16.858 1.00 0.00 C ATOM 1152 CG HIS 1 83 -8.795 -11.084 -15.832 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -9.094 -10.880 -14.502 1.00 0.00 N ATOM 1154 CD2 HIS 1 83 -8.480 -12.395 -15.947 1.00 0.00 C ATOM 1155 CE1 HIS 1 83 -8.962 -12.017 -13.844 1.00 0.00 C ATOM 1156 NE2 HIS 1 83 -8.591 -12.951 -14.698 1.00 0.00 N ATOM 1157 OXT HIS 1 83 -8.534 -8.728 -19.645 1.00 0.00 O ATOM 0 H HIS 1 83 -6.078 -9.363 -16.714 1.00 0.00 H new ATOM 0 HA HIS 1 83 -7.824 -10.935 -18.506 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 -8.814 -9.031 -16.354 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 -9.784 -10.053 -17.397 1.00 0.00 H new ATOM 0 HD1 HIS 1 83 -9.374 -9.990 -14.090 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -8.194 -12.908 -16.853 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -9.129 -12.158 -12.786 1.00 0.00 H new