USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=13 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= -0.843 F(o=-11!,f=-8.7) USER MOD Set 1.2: 1 83 HIS : no HE2:sc= -7.82 K(o=-8.7,f=-10!) USER MOD Set 2.1: 1 30 ASN : amide:sc= -3.91! C(o=-10!,f=-10!) USER MOD Set 2.2: 1 33 THR OG1 : rot 180:sc= -6.1! USER MOD Single : 1 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 8 LYS NZ :NH3+ 140:sc= -0.813 (180deg=-1.94!) USER MOD Single : 1 12 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : 1 20 SER OG : rot -13:sc= 1 USER MOD Single : 1 23 ASN : amide:sc= -2.4 K(o=-2.4,f=-8.8!) USER MOD Single : 1 25 GLN : amide:sc= -0.0334 K(o=-0.033,f=-0.9) USER MOD Single : 1 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 37 THR OG1 : rot -150:sc= -2.49 USER MOD Single : 1 40 SER OG : rot -57:sc= -0.543 USER MOD Single : 1 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 43 ASN : amide:sc= 0 X(o=0,f=0.36) USER MOD Single : 1 44 TYR OH : rot 180:sc= 0 USER MOD Single : 1 50 GLN : amide:sc= 0 X(o=0,f=-0.13) 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= 0.862 USER MOD Single : 1 71 TYR OH : rot 180:sc= 0 USER MOD Single : 1 73 THR OG1 : rot 180:sc= -0.943 USER MOD Single : 1 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 76 SER OG : rot 180:sc= -0.425 USER MOD Single : 1 77 SER OG : rot 180:sc= 0.0102 USER MOD Single : 1 82 ASN : amide:sc= -0.0954 K(o=-0.095,f=-2) USER MOD ----------------------------------------------------------------- ATOM 42 N VAL 1 4 -0.912 17.837 12.073 1.00 0.00 N ATOM 43 CA VAL 1 4 -0.901 17.090 10.856 1.00 0.00 C ATOM 44 C VAL 1 4 0.248 17.546 9.968 1.00 0.00 C ATOM 45 O VAL 1 4 0.112 18.469 9.165 1.00 0.00 O ATOM 46 CB VAL 1 4 -2.252 17.260 10.147 1.00 0.00 C ATOM 47 CG1 VAL 1 4 -2.450 18.695 9.681 1.00 0.00 C ATOM 48 CG2 VAL 1 4 -2.383 16.293 9.001 1.00 0.00 C ATOM 0 HA VAL 1 4 -0.751 16.033 11.075 1.00 0.00 H new ATOM 0 HB VAL 1 4 -3.039 17.035 10.866 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 -3.415 18.786 9.182 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 -2.422 19.364 10.541 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 -1.655 18.965 8.985 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 -3.349 16.433 8.515 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 -1.585 16.472 8.281 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 -2.311 15.272 9.376 1.00 0.00 H new ATOM 58 N CYS 1 5 1.390 16.902 10.137 1.00 0.00 N ATOM 59 CA CYS 1 5 2.574 17.257 9.362 1.00 0.00 C ATOM 60 C CYS 1 5 2.353 16.894 7.899 1.00 0.00 C ATOM 61 O CYS 1 5 2.533 15.746 7.493 1.00 0.00 O ATOM 62 CB CYS 1 5 3.836 16.548 9.902 1.00 0.00 C ATOM 63 SG CYS 1 5 3.654 15.761 11.547 1.00 0.00 S ATOM 0 H CYS 1 5 1.526 16.136 10.797 1.00 0.00 H new ATOM 0 HA CYS 1 5 2.734 18.331 9.453 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 4.138 15.785 9.185 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 4.646 17.275 9.954 1.00 0.00 H new ATOM 68 N GLY 1 6 1.941 17.890 7.115 1.00 0.00 N ATOM 69 CA GLY 1 6 1.672 17.675 5.705 1.00 0.00 C ATOM 70 C GLY 1 6 0.194 17.435 5.427 1.00 0.00 C ATOM 71 O GLY 1 6 -0.170 16.977 4.344 1.00 0.00 O ATOM 0 H GLY 1 6 1.789 18.846 7.436 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 2.010 18.542 5.137 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 2.249 16.819 5.354 1.00 0.00 H new ATOM 75 N ASN 1 7 -0.658 17.742 6.410 1.00 0.00 N ATOM 76 CA ASN 1 7 -2.104 17.551 6.274 1.00 0.00 C ATOM 77 C ASN 1 7 -2.430 16.079 6.035 1.00 0.00 C ATOM 78 O ASN 1 7 -1.672 15.371 5.371 1.00 0.00 O ATOM 79 CB ASN 1 7 -2.657 18.396 5.123 1.00 0.00 C ATOM 80 CG ASN 1 7 -3.168 19.745 5.587 1.00 0.00 C ATOM 81 OD1 ASN 1 7 -2.486 20.761 5.448 1.00 0.00 O ATOM 82 ND2 ASN 1 7 -4.373 19.762 6.144 1.00 0.00 N ATOM 0 H ASN 1 7 -0.370 18.125 7.310 1.00 0.00 H new ATOM 0 HA ASN 1 7 -2.574 17.873 7.203 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 -1.876 18.544 4.377 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 -3.466 17.853 4.634 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 -4.769 20.641 6.477 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 -4.903 18.896 6.239 1.00 0.00 H new ATOM 89 N LYS 1 8 -3.555 15.613 6.576 1.00 0.00 N ATOM 90 CA LYS 1 8 -3.949 14.220 6.413 1.00 0.00 C ATOM 91 C LYS 1 8 -3.921 13.838 4.950 1.00 0.00 C ATOM 92 O LYS 1 8 -4.730 14.324 4.160 1.00 0.00 O ATOM 93 CB LYS 1 8 -5.345 13.970 6.986 1.00 0.00 C ATOM 94 CG LYS 1 8 -5.536 12.561 7.533 1.00 0.00 C ATOM 95 CD LYS 1 8 -5.564 11.516 6.423 1.00 0.00 C ATOM 96 CE LYS 1 8 -6.912 11.487 5.720 1.00 0.00 C ATOM 97 NZ LYS 1 8 -6.991 12.492 4.624 1.00 0.00 N ATOM 0 H LYS 1 8 -4.203 16.177 7.126 1.00 0.00 H new ATOM 0 HA LYS 1 8 -3.237 13.603 6.962 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 -5.536 14.689 7.783 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 -6.086 14.152 6.208 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 -4.729 12.330 8.228 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 -6.467 12.515 8.098 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 -4.779 11.732 5.698 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 -5.349 10.533 6.842 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 -7.087 10.491 5.312 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 -7.703 11.678 6.445 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 -7.490 12.079 3.810 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 -7.508 13.330 4.958 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 -6.031 12.769 4.337 1.00 0.00 H new ATOM 111 N ILE 1 9 -2.985 12.972 4.584 1.00 0.00 N ATOM 112 CA ILE 1 9 -2.882 12.554 3.187 1.00 0.00 C ATOM 113 C ILE 1 9 -4.237 12.129 2.655 1.00 0.00 C ATOM 114 O ILE 1 9 -4.904 11.266 3.226 1.00 0.00 O ATOM 115 CB ILE 1 9 -1.886 11.405 2.949 1.00 0.00 C ATOM 116 CG1 ILE 1 9 -2.278 10.156 3.748 1.00 0.00 C ATOM 117 CG2 ILE 1 9 -0.473 11.856 3.266 1.00 0.00 C ATOM 118 CD1 ILE 1 9 -1.355 9.845 4.898 1.00 0.00 C ATOM 0 H ILE 1 9 -2.301 12.553 5.214 1.00 0.00 H new ATOM 0 HA ILE 1 9 -2.508 13.429 2.655 1.00 0.00 H new ATOM 0 HB ILE 1 9 -1.920 11.131 1.894 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 -3.289 10.287 4.133 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 -2.302 9.300 3.074 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 0.219 11.032 3.093 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 -0.206 12.695 2.624 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 -0.415 12.165 4.310 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 -1.702 8.948 5.411 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 -0.346 9.680 4.520 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 -1.348 10.682 5.596 1.00 0.00 H new ATOM 130 N LEU 1 10 -4.642 12.743 1.561 1.00 0.00 N ATOM 131 CA LEU 1 10 -5.920 12.428 0.955 1.00 0.00 C ATOM 132 C LEU 1 10 -5.782 11.299 -0.058 1.00 0.00 C ATOM 133 O LEU 1 10 -6.708 11.019 -0.819 1.00 0.00 O ATOM 134 CB LEU 1 10 -6.521 13.678 0.303 1.00 0.00 C ATOM 135 CG LEU 1 10 -5.583 14.484 -0.610 1.00 0.00 C ATOM 136 CD1 LEU 1 10 -4.785 15.498 0.197 1.00 0.00 C ATOM 137 CD2 LEU 1 10 -4.652 13.571 -1.398 1.00 0.00 C ATOM 0 H LEU 1 10 -4.106 13.461 1.074 1.00 0.00 H new ATOM 0 HA LEU 1 10 -6.597 12.088 1.739 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 -7.391 13.376 -0.280 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 -6.880 14.337 1.093 1.00 0.00 H new ATOM 0 HG LEU 1 10 -6.203 15.024 -1.326 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 -4.128 16.057 -0.469 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 -5.468 16.186 0.694 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 -4.186 14.978 0.945 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 -4.003 14.174 -2.033 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 -4.044 12.988 -0.707 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 -5.243 12.897 -2.019 1.00 0.00 H new ATOM 149 N GLU 1 11 -4.617 10.655 -0.057 1.00 0.00 N ATOM 150 CA GLU 1 11 -4.347 9.552 -0.977 1.00 0.00 C ATOM 151 C GLU 1 11 -2.907 9.044 -0.867 1.00 0.00 C ATOM 152 O GLU 1 11 -2.317 8.654 -1.876 1.00 0.00 O ATOM 153 CB GLU 1 11 -4.597 10.002 -2.417 1.00 0.00 C ATOM 154 CG GLU 1 11 -3.585 11.027 -2.908 1.00 0.00 C ATOM 155 CD GLU 1 11 -2.777 10.531 -4.092 1.00 0.00 C ATOM 156 OE1 GLU 1 11 -2.658 9.298 -4.256 1.00 0.00 O ATOM 157 OE2 GLU 1 11 -2.263 11.376 -4.856 1.00 0.00 O ATOM 0 H GLU 1 11 -3.845 10.878 0.571 1.00 0.00 H new ATOM 0 HA GLU 1 11 -5.019 8.738 -0.704 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 -4.571 9.132 -3.073 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 -5.599 10.426 -2.490 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 -4.107 11.942 -3.187 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 -2.908 11.283 -2.093 1.00 0.00 H new ATOM 164 N GLN 1 12 -2.326 9.044 0.333 1.00 0.00 N ATOM 165 CA GLN 1 12 -0.949 8.571 0.471 1.00 0.00 C ATOM 166 C GLN 1 12 -0.546 8.269 1.916 1.00 0.00 C ATOM 167 O GLN 1 12 0.301 8.956 2.485 1.00 0.00 O ATOM 168 CB GLN 1 12 0.032 9.581 -0.139 1.00 0.00 C ATOM 169 CG GLN 1 12 -0.373 11.040 0.013 1.00 0.00 C ATOM 170 CD GLN 1 12 0.043 11.884 -1.176 1.00 0.00 C ATOM 171 OE1 GLN 1 12 1.074 11.633 -1.800 1.00 0.00 O ATOM 172 NE2 GLN 1 12 -0.760 12.892 -1.496 1.00 0.00 N ATOM 0 H GLN 1 12 -2.770 9.355 1.197 1.00 0.00 H new ATOM 0 HA GLN 1 12 -0.902 7.628 -0.073 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 1.009 9.440 0.323 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 0.146 9.359 -1.200 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 -1.454 11.103 0.139 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 0.077 11.446 0.919 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 -1.605 13.064 -0.951 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 -0.532 13.494 -2.287 1.00 0.00 H new ATOM 181 N GLY 1 13 -1.123 7.217 2.495 1.00 0.00 N ATOM 182 CA GLY 1 13 -0.769 6.827 3.856 1.00 0.00 C ATOM 183 C GLY 1 13 0.564 6.097 3.912 1.00 0.00 C ATOM 184 O GLY 1 13 0.681 5.049 4.546 1.00 0.00 O ATOM 0 H GLY 1 13 -1.827 6.628 2.050 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 -0.723 7.715 4.487 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 -1.551 6.186 4.264 1.00 0.00 H new ATOM 188 N GLU 1 14 1.564 6.660 3.232 1.00 0.00 N ATOM 189 CA GLU 1 14 2.913 6.091 3.157 1.00 0.00 C ATOM 190 C GLU 1 14 3.666 6.742 2.006 1.00 0.00 C ATOM 191 O GLU 1 14 4.892 6.852 2.027 1.00 0.00 O ATOM 192 CB GLU 1 14 2.856 4.560 2.969 1.00 0.00 C ATOM 193 CG GLU 1 14 3.519 4.046 1.694 1.00 0.00 C ATOM 194 CD GLU 1 14 2.710 4.358 0.450 1.00 0.00 C ATOM 195 OE1 GLU 1 14 1.493 4.605 0.581 1.00 0.00 O ATOM 196 OE2 GLU 1 14 3.294 4.357 -0.654 1.00 0.00 O ATOM 0 H GLU 1 14 1.461 7.532 2.713 1.00 0.00 H new ATOM 0 HA GLU 1 14 3.436 6.290 4.092 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 3.333 4.085 3.826 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 1.812 4.247 2.971 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 4.510 4.490 1.600 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 3.659 2.968 1.771 1.00 0.00 H new ATOM 203 N ASP 1 15 2.913 7.172 1.001 1.00 0.00 N ATOM 204 CA ASP 1 15 3.485 7.814 -0.166 1.00 0.00 C ATOM 205 C ASP 1 15 4.242 9.079 0.224 1.00 0.00 C ATOM 206 O ASP 1 15 5.409 9.244 -0.133 1.00 0.00 O ATOM 207 CB ASP 1 15 2.376 8.145 -1.164 1.00 0.00 C ATOM 208 CG ASP 1 15 2.690 7.657 -2.564 1.00 0.00 C ATOM 209 OD1 ASP 1 15 2.378 6.487 -2.870 1.00 0.00 O ATOM 210 OD2 ASP 1 15 3.248 8.445 -3.356 1.00 0.00 O ATOM 0 H ASP 1 15 1.897 7.085 0.976 1.00 0.00 H new ATOM 0 HA ASP 1 15 4.194 7.128 -0.630 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 1.442 7.695 -0.827 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 2.221 9.224 -1.185 1.00 0.00 H new ATOM 215 N CYS 1 16 3.574 9.971 0.958 1.00 0.00 N ATOM 216 CA CYS 1 16 4.191 11.223 1.392 1.00 0.00 C ATOM 217 C CYS 1 16 3.149 12.180 1.981 1.00 0.00 C ATOM 218 O CYS 1 16 1.956 12.062 1.713 1.00 0.00 O ATOM 219 CB CYS 1 16 4.921 11.879 0.211 1.00 0.00 C ATOM 220 SG CYS 1 16 5.261 13.665 0.406 1.00 0.00 S ATOM 0 H CYS 1 16 2.608 9.849 1.263 1.00 0.00 H new ATOM 0 HA CYS 1 16 4.913 10.998 2.177 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 5.867 11.360 0.055 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 4.325 11.735 -0.690 1.00 0.00 H new ATOM 225 N ASP 1 17 3.625 13.131 2.781 1.00 0.00 N ATOM 226 CA ASP 1 17 2.765 14.125 3.415 1.00 0.00 C ATOM 227 C ASP 1 17 1.773 13.466 4.362 1.00 0.00 C ATOM 228 O ASP 1 17 0.641 13.929 4.501 1.00 0.00 O ATOM 229 CB ASP 1 17 2.015 14.932 2.353 1.00 0.00 C ATOM 230 CG ASP 1 17 2.813 16.124 1.862 1.00 0.00 C ATOM 231 OD1 ASP 1 17 4.051 16.118 2.026 1.00 0.00 O ATOM 232 OD2 ASP 1 17 2.199 17.064 1.313 1.00 0.00 O ATOM 0 H ASP 1 17 4.614 13.234 3.007 1.00 0.00 H new ATOM 0 HA ASP 1 17 3.398 14.797 3.995 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 1.778 14.284 1.509 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 1.067 15.278 2.766 1.00 0.00 H new ATOM 237 N CYS 1 18 2.206 12.377 5.002 1.00 0.00 N ATOM 238 CA CYS 1 18 1.360 11.625 5.931 1.00 0.00 C ATOM 239 C CYS 1 18 0.371 12.515 6.676 1.00 0.00 C ATOM 240 O CYS 1 18 -0.779 12.134 6.870 1.00 0.00 O ATOM 241 CB CYS 1 18 2.208 10.847 6.942 1.00 0.00 C ATOM 242 SG CYS 1 18 1.803 9.075 7.018 1.00 0.00 S ATOM 0 H CYS 1 18 3.145 11.994 4.892 1.00 0.00 H new ATOM 0 HA CYS 1 18 0.787 10.926 5.321 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 3.261 10.960 6.684 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 2.073 11.285 7.931 1.00 0.00 H new ATOM 247 N GLY 1 19 0.820 13.692 7.101 1.00 0.00 N ATOM 248 CA GLY 1 19 -0.059 14.585 7.832 1.00 0.00 C ATOM 249 C GLY 1 19 -0.570 13.961 9.103 1.00 0.00 C ATOM 250 O GLY 1 19 -0.209 14.392 10.192 1.00 0.00 O ATOM 0 H GLY 1 19 1.767 14.040 6.954 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 0.475 15.505 8.070 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 -0.903 14.861 7.199 1.00 0.00 H new ATOM 254 N SER 1 20 -1.412 12.940 8.971 1.00 0.00 N ATOM 255 CA SER 1 20 -1.972 12.275 10.132 1.00 0.00 C ATOM 256 C SER 1 20 -0.862 11.903 11.103 1.00 0.00 C ATOM 257 O SER 1 20 -0.109 10.953 10.890 1.00 0.00 O ATOM 258 CB SER 1 20 -2.762 11.040 9.718 1.00 0.00 C ATOM 259 OG SER 1 20 -1.921 9.906 9.588 1.00 0.00 O ATOM 0 H SER 1 20 -1.717 12.560 8.075 1.00 0.00 H new ATOM 0 HA SER 1 20 -2.658 12.960 10.630 1.00 0.00 H new ATOM 0 HB2 SER 1 20 -3.537 10.837 10.458 1.00 0.00 H new ATOM 0 HB3 SER 1 20 -3.267 11.230 8.771 1.00 0.00 H new ATOM 0 HG SER 1 20 -0.984 10.191 9.595 1.00 0.00 H new ATOM 265 N PRO 1 21 -0.745 12.692 12.177 1.00 0.00 N ATOM 266 CA PRO 1 21 0.281 12.509 13.203 1.00 0.00 C ATOM 267 C PRO 1 21 0.392 11.067 13.677 1.00 0.00 C ATOM 268 O PRO 1 21 1.448 10.641 14.146 1.00 0.00 O ATOM 269 CB PRO 1 21 -0.192 13.423 14.332 1.00 0.00 C ATOM 270 CG PRO 1 21 -0.950 14.505 13.639 1.00 0.00 C ATOM 271 CD PRO 1 21 -1.611 13.850 12.456 1.00 0.00 C ATOM 0 HA PRO 1 21 1.278 12.747 12.832 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 -0.823 12.886 15.040 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 0.649 13.826 14.896 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 -1.690 14.951 14.303 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 -0.284 15.307 13.320 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 -2.631 13.542 12.686 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 -1.666 14.525 11.602 1.00 0.00 H new ATOM 279 N ALA 1 22 -0.691 10.310 13.536 1.00 0.00 N ATOM 280 CA ALA 1 22 -0.687 8.909 13.937 1.00 0.00 C ATOM 281 C ALA 1 22 0.499 8.180 13.311 1.00 0.00 C ATOM 282 O ALA 1 22 0.962 7.164 13.829 1.00 0.00 O ATOM 283 CB ALA 1 22 -1.995 8.241 13.538 1.00 0.00 C ATOM 0 H ALA 1 22 -1.576 10.640 13.150 1.00 0.00 H new ATOM 0 HA ALA 1 22 -0.589 8.858 15.021 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 -1.977 7.195 13.844 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 -2.827 8.748 14.027 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 -2.119 8.301 12.457 1.00 0.00 H new ATOM 289 N ASN 1 23 0.986 8.713 12.191 1.00 0.00 N ATOM 290 CA ASN 1 23 2.118 8.125 11.489 1.00 0.00 C ATOM 291 C ASN 1 23 3.335 9.052 11.523 1.00 0.00 C ATOM 292 O ASN 1 23 4.469 8.593 11.396 1.00 0.00 O ATOM 293 CB ASN 1 23 1.737 7.817 10.040 1.00 0.00 C ATOM 294 CG ASN 1 23 0.782 6.645 9.931 1.00 0.00 C ATOM 295 OD1 ASN 1 23 0.352 6.083 10.938 1.00 0.00 O ATOM 296 ND2 ASN 1 23 0.444 6.269 8.702 1.00 0.00 N ATOM 0 H ASN 1 23 0.610 9.554 11.752 1.00 0.00 H new ATOM 0 HA ASN 1 23 2.383 7.198 11.997 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 1.279 8.699 9.592 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 2.639 7.602 9.468 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 -0.196 5.486 8.566 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 0.824 6.763 7.895 1.00 0.00 H new ATOM 303 N CYS 1 24 3.100 10.356 11.692 1.00 0.00 N ATOM 304 CA CYS 1 24 4.196 11.326 11.735 1.00 0.00 C ATOM 305 C CYS 1 24 5.232 10.926 12.779 1.00 0.00 C ATOM 306 O CYS 1 24 5.113 11.270 13.955 1.00 0.00 O ATOM 307 CB CYS 1 24 3.675 12.740 12.024 1.00 0.00 C ATOM 308 SG CYS 1 24 4.781 14.071 11.433 1.00 0.00 S ATOM 0 H CYS 1 24 2.170 10.761 11.800 1.00 0.00 H new ATOM 0 HA CYS 1 24 4.671 11.330 10.754 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 2.697 12.859 11.557 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 3.531 12.851 13.099 1.00 0.00 H new ATOM 313 N GLN 1 25 6.246 10.190 12.335 1.00 0.00 N ATOM 314 CA GLN 1 25 7.310 9.730 13.221 1.00 0.00 C ATOM 315 C GLN 1 25 6.780 8.704 14.219 1.00 0.00 C ATOM 316 O GLN 1 25 6.830 8.916 15.431 1.00 0.00 O ATOM 317 CB GLN 1 25 7.935 10.913 13.966 1.00 0.00 C ATOM 318 CG GLN 1 25 8.211 12.115 13.077 1.00 0.00 C ATOM 319 CD GLN 1 25 8.514 13.370 13.872 1.00 0.00 C ATOM 320 OE1 GLN 1 25 7.938 13.600 14.935 1.00 0.00 O ATOM 321 NE2 GLN 1 25 9.424 14.190 13.358 1.00 0.00 N ATOM 0 H GLN 1 25 6.353 9.898 11.363 1.00 0.00 H new ATOM 0 HA GLN 1 25 8.076 9.253 12.610 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 7.269 11.215 14.775 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 8.869 10.590 14.426 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 9.053 11.892 12.422 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 7.348 12.295 12.436 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 9.877 13.959 12.474 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 9.670 15.050 13.848 1.00 0.00 H new ATOM 330 N ASP 1 26 6.270 7.590 13.701 1.00 0.00 N ATOM 331 CA ASP 1 26 5.731 6.531 14.547 1.00 0.00 C ATOM 332 C ASP 1 26 5.422 5.278 13.730 1.00 0.00 C ATOM 333 O ASP 1 26 6.122 4.271 13.832 1.00 0.00 O ATOM 334 CB ASP 1 26 4.468 7.015 15.262 1.00 0.00 C ATOM 335 CG ASP 1 26 3.903 5.974 16.209 1.00 0.00 C ATOM 336 OD1 ASP 1 26 4.698 5.329 16.924 1.00 0.00 O ATOM 337 OD2 ASP 1 26 2.666 5.805 16.236 1.00 0.00 O ATOM 0 H ASP 1 26 6.219 7.398 12.701 1.00 0.00 H new ATOM 0 HA ASP 1 26 6.487 6.276 15.290 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 4.695 7.924 15.819 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 3.712 7.276 14.521 1.00 0.00 H new ATOM 342 N ARG 1 27 4.367 5.346 12.923 1.00 0.00 N ATOM 343 CA ARG 1 27 3.966 4.216 12.092 1.00 0.00 C ATOM 344 C ARG 1 27 4.986 3.963 10.983 1.00 0.00 C ATOM 345 O ARG 1 27 6.124 4.426 11.057 1.00 0.00 O ATOM 346 CB ARG 1 27 2.581 4.468 11.489 1.00 0.00 C ATOM 347 CG ARG 1 27 1.706 3.224 11.431 1.00 0.00 C ATOM 348 CD ARG 1 27 0.828 3.103 12.666 1.00 0.00 C ATOM 349 NE ARG 1 27 -0.455 3.781 12.495 1.00 0.00 N ATOM 350 CZ ARG 1 27 -1.359 3.913 13.463 1.00 0.00 C ATOM 351 NH1 ARG 1 27 -1.125 3.415 14.671 1.00 0.00 N ATOM 352 NH2 ARG 1 27 -2.500 4.545 13.223 1.00 0.00 N ATOM 0 H ARG 1 27 3.775 6.171 12.827 1.00 0.00 H new ATOM 0 HA ARG 1 27 3.922 3.328 12.723 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 2.072 5.233 12.076 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 2.700 4.866 10.481 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 1.079 3.260 10.540 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 2.336 2.339 11.343 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 0.655 2.050 12.886 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 1.350 3.526 13.524 1.00 0.00 H new ATOM 0 HE ARG 1 27 -0.671 4.176 11.580 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 -0.249 2.928 14.861 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 -1.821 3.519 15.409 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 -2.685 4.930 12.297 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 -3.193 4.646 13.965 1.00 0.00 H new ATOM 366 N CYS 1 28 4.572 3.223 9.957 1.00 0.00 N ATOM 367 CA CYS 1 28 5.449 2.906 8.835 1.00 0.00 C ATOM 368 C CYS 1 28 5.538 4.066 7.841 1.00 0.00 C ATOM 369 O CYS 1 28 6.199 3.954 6.809 1.00 0.00 O ATOM 370 CB CYS 1 28 4.949 1.654 8.116 1.00 0.00 C ATOM 371 SG CYS 1 28 5.440 0.090 8.910 1.00 0.00 S ATOM 0 H CYS 1 28 3.633 2.832 9.880 1.00 0.00 H new ATOM 0 HA CYS 1 28 6.446 2.727 9.237 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 3.861 1.693 8.057 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 5.324 1.662 7.093 1.00 0.00 H new ATOM 376 N CYS 1 29 4.867 5.173 8.148 1.00 0.00 N ATOM 377 CA CYS 1 29 4.875 6.337 7.268 1.00 0.00 C ATOM 378 C CYS 1 29 5.384 7.571 7.994 1.00 0.00 C ATOM 379 O CYS 1 29 5.186 7.729 9.198 1.00 0.00 O ATOM 380 CB CYS 1 29 3.472 6.580 6.708 1.00 0.00 C ATOM 381 SG CYS 1 29 3.247 8.198 5.900 1.00 0.00 S ATOM 0 H CYS 1 29 4.313 5.288 8.997 1.00 0.00 H new ATOM 0 HA CYS 1 29 5.555 6.136 6.440 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 3.241 5.794 5.989 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 2.750 6.491 7.520 1.00 0.00 H new ATOM 386 N ASN 1 30 6.057 8.435 7.245 1.00 0.00 N ATOM 387 CA ASN 1 30 6.617 9.651 7.798 1.00 0.00 C ATOM 388 C ASN 1 30 5.934 10.887 7.255 1.00 0.00 C ATOM 389 O ASN 1 30 6.086 11.240 6.083 1.00 0.00 O ATOM 390 CB ASN 1 30 8.100 9.722 7.488 1.00 0.00 C ATOM 391 CG ASN 1 30 8.934 10.015 8.714 1.00 0.00 C ATOM 392 OD1 ASN 1 30 8.787 11.059 9.350 1.00 0.00 O ATOM 393 ND2 ASN 1 30 9.815 9.088 9.048 1.00 0.00 N ATOM 0 H ASN 1 30 6.226 8.310 6.247 1.00 0.00 H new ATOM 0 HA ASN 1 30 6.458 9.623 8.876 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 8.422 8.777 7.051 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 8.275 10.495 6.740 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 10.411 9.221 9.865 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 9.899 8.239 8.489 1.00 0.00 H new ATOM 400 N ALA 1 31 5.227 11.564 8.138 1.00 0.00 N ATOM 401 CA ALA 1 31 4.558 12.801 7.795 1.00 0.00 C ATOM 402 C ALA 1 31 5.570 13.938 7.824 1.00 0.00 C ATOM 403 O ALA 1 31 5.265 15.073 7.458 1.00 0.00 O ATOM 404 CB ALA 1 31 3.421 13.072 8.770 1.00 0.00 C ATOM 0 H ALA 1 31 5.101 11.274 9.108 1.00 0.00 H new ATOM 0 HA ALA 1 31 4.134 12.722 6.794 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 2.926 14.005 8.501 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 2.702 12.254 8.727 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 3.820 13.151 9.781 1.00 0.00 H new ATOM 410 N ALA 1 32 6.783 13.616 8.279 1.00 0.00 N ATOM 411 CA ALA 1 32 7.852 14.597 8.381 1.00 0.00 C ATOM 412 C ALA 1 32 8.851 14.473 7.232 1.00 0.00 C ATOM 413 O ALA 1 32 9.323 15.481 6.706 1.00 0.00 O ATOM 414 CB ALA 1 32 8.554 14.453 9.720 1.00 0.00 C ATOM 0 H ALA 1 32 7.045 12.678 8.582 1.00 0.00 H new ATOM 0 HA ALA 1 32 7.407 15.590 8.312 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 9.354 15.190 9.792 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 7.838 14.615 10.526 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 8.975 13.451 9.804 1.00 0.00 H new ATOM 420 N THR 1 33 9.171 13.241 6.835 1.00 0.00 N ATOM 421 CA THR 1 33 10.115 13.030 5.738 1.00 0.00 C ATOM 422 C THR 1 33 9.390 12.920 4.404 1.00 0.00 C ATOM 423 O THR 1 33 10.023 12.816 3.353 1.00 0.00 O ATOM 424 CB THR 1 33 10.961 11.777 5.964 1.00 0.00 C ATOM 425 OG1 THR 1 33 10.171 10.701 6.413 1.00 0.00 O ATOM 426 CG2 THR 1 33 12.070 11.977 6.971 1.00 0.00 C ATOM 0 H THR 1 33 8.797 12.387 7.249 1.00 0.00 H new ATOM 0 HA THR 1 33 10.774 13.898 5.713 1.00 0.00 H new ATOM 0 HB THR 1 33 11.403 11.559 4.992 1.00 0.00 H new ATOM 0 HG1 THR 1 33 10.738 9.913 6.548 1.00 0.00 H new ATOM 0 HG21 THR 1 33 12.631 11.049 7.084 1.00 0.00 H new ATOM 0 HG22 THR 1 33 12.738 12.765 6.625 1.00 0.00 H new ATOM 0 HG23 THR 1 33 11.642 12.261 7.932 1.00 0.00 H new ATOM 434 N CYS 1 34 8.063 12.950 4.447 1.00 0.00 N ATOM 435 CA CYS 1 34 7.262 12.862 3.239 1.00 0.00 C ATOM 436 C CYS 1 34 7.442 11.499 2.563 1.00 0.00 C ATOM 437 O CYS 1 34 7.499 11.403 1.342 1.00 0.00 O ATOM 438 CB CYS 1 34 7.622 14.031 2.296 1.00 0.00 C ATOM 439 SG CYS 1 34 7.283 13.776 0.517 1.00 0.00 S ATOM 0 H CYS 1 34 7.522 13.035 5.307 1.00 0.00 H new ATOM 0 HA CYS 1 34 6.206 12.946 3.496 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 7.076 14.915 2.624 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 8.683 14.250 2.413 1.00 0.00 H new ATOM 444 N LYS 1 35 7.524 10.433 3.357 1.00 0.00 N ATOM 445 CA LYS 1 35 7.678 9.104 2.786 1.00 0.00 C ATOM 446 C LYS 1 35 7.629 8.022 3.849 1.00 0.00 C ATOM 447 O LYS 1 35 8.087 8.212 4.975 1.00 0.00 O ATOM 448 CB LYS 1 35 8.991 8.999 2.016 1.00 0.00 C ATOM 449 CG LYS 1 35 8.826 9.124 0.510 1.00 0.00 C ATOM 450 CD LYS 1 35 8.957 7.774 -0.175 1.00 0.00 C ATOM 451 CE LYS 1 35 10.397 7.484 -0.567 1.00 0.00 C ATOM 452 NZ LYS 1 35 11.017 6.459 0.316 1.00 0.00 N ATOM 0 H LYS 1 35 7.487 10.464 4.376 1.00 0.00 H new ATOM 0 HA LYS 1 35 6.841 8.951 2.104 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 9.670 9.777 2.364 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 9.460 8.042 2.243 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 7.851 9.556 0.284 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 9.577 9.808 0.116 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 8.596 6.991 0.491 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 8.326 7.753 -1.064 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 10.430 7.140 -1.601 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 10.979 8.404 -0.519 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 11.998 6.290 0.016 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 11.009 6.797 1.299 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 10.477 5.572 0.251 1.00 0.00 H new ATOM 466 N LEU 1 36 7.080 6.876 3.470 1.00 0.00 N ATOM 467 CA LEU 1 36 6.979 5.740 4.375 1.00 0.00 C ATOM 468 C LEU 1 36 8.336 5.425 4.998 1.00 0.00 C ATOM 469 O LEU 1 36 9.346 5.326 4.300 1.00 0.00 O ATOM 470 CB LEU 1 36 6.431 4.515 3.641 1.00 0.00 C ATOM 471 CG LEU 1 36 7.381 3.869 2.629 1.00 0.00 C ATOM 472 CD1 LEU 1 36 6.657 2.786 1.846 1.00 0.00 C ATOM 473 CD2 LEU 1 36 7.959 4.916 1.686 1.00 0.00 C ATOM 0 H LEU 1 36 6.697 6.709 2.540 1.00 0.00 H new ATOM 0 HA LEU 1 36 6.286 6.002 5.175 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 6.153 3.765 4.381 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 5.517 4.804 3.121 1.00 0.00 H new ATOM 0 HG LEU 1 36 8.207 3.412 3.174 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 7.343 2.334 1.130 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 6.294 2.021 2.533 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 5.813 3.225 1.313 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 8.631 4.434 0.976 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 7.149 5.405 1.145 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 8.511 5.659 2.262 1.00 0.00 H new ATOM 485 N THR 1 37 8.352 5.291 6.317 1.00 0.00 N ATOM 486 CA THR 1 37 9.582 5.013 7.049 1.00 0.00 C ATOM 487 C THR 1 37 10.313 3.787 6.510 1.00 0.00 C ATOM 488 O THR 1 37 9.699 2.866 5.969 1.00 0.00 O ATOM 489 CB THR 1 37 9.276 4.818 8.530 1.00 0.00 C ATOM 490 OG1 THR 1 37 8.168 3.953 8.705 1.00 0.00 O ATOM 491 CG2 THR 1 37 8.967 6.113 9.239 1.00 0.00 C ATOM 0 H THR 1 37 7.523 5.371 6.906 1.00 0.00 H new ATOM 0 HA THR 1 37 10.238 5.873 6.914 1.00 0.00 H new ATOM 0 HB THR 1 37 10.178 4.387 8.963 1.00 0.00 H new ATOM 0 HG1 THR 1 37 7.698 4.187 9.533 1.00 0.00 H new ATOM 0 HG21 THR 1 37 8.757 5.912 10.290 1.00 0.00 H new ATOM 0 HG22 THR 1 37 9.823 6.783 9.162 1.00 0.00 H new ATOM 0 HG23 THR 1 37 8.097 6.581 8.779 1.00 0.00 H new ATOM 499 N PRO 1 38 11.648 3.766 6.666 1.00 0.00 N ATOM 500 CA PRO 1 38 12.491 2.656 6.210 1.00 0.00 C ATOM 501 C PRO 1 38 11.913 1.293 6.573 1.00 0.00 C ATOM 502 O PRO 1 38 11.289 1.131 7.622 1.00 0.00 O ATOM 503 CB PRO 1 38 13.797 2.897 6.964 1.00 0.00 C ATOM 504 CG PRO 1 38 13.866 4.375 7.114 1.00 0.00 C ATOM 505 CD PRO 1 38 12.446 4.831 7.311 1.00 0.00 C ATOM 0 HA PRO 1 38 12.594 2.635 5.125 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 13.795 2.398 7.933 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 14.653 2.513 6.410 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 14.488 4.654 7.965 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 14.307 4.838 6.231 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 12.200 4.932 8.368 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 12.268 5.802 6.848 1.00 0.00 H new ATOM 513 N GLY 1 39 12.124 0.317 5.698 1.00 0.00 N ATOM 514 CA GLY 1 39 11.618 -1.020 5.942 1.00 0.00 C ATOM 515 C GLY 1 39 10.229 -1.228 5.372 1.00 0.00 C ATOM 516 O GLY 1 39 9.948 -2.261 4.765 1.00 0.00 O ATOM 0 H GLY 1 39 12.637 0.428 4.823 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 12.300 -1.749 5.504 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 11.598 -1.207 7.016 1.00 0.00 H new ATOM 520 N SER 1 40 9.359 -0.242 5.566 1.00 0.00 N ATOM 521 CA SER 1 40 7.993 -0.320 5.066 1.00 0.00 C ATOM 522 C SER 1 40 7.969 -0.275 3.542 1.00 0.00 C ATOM 523 O SER 1 40 8.314 0.739 2.937 1.00 0.00 O ATOM 524 CB SER 1 40 7.157 0.828 5.634 1.00 0.00 C ATOM 525 OG SER 1 40 7.450 2.047 4.972 1.00 0.00 O ATOM 0 H SER 1 40 9.577 0.620 6.066 1.00 0.00 H new ATOM 0 HA SER 1 40 7.566 -1.269 5.390 1.00 0.00 H new ATOM 0 HB2 SER 1 40 6.097 0.598 5.527 1.00 0.00 H new ATOM 0 HB3 SER 1 40 7.354 0.933 6.701 1.00 0.00 H new ATOM 0 HG SER 1 40 8.409 2.236 5.044 1.00 0.00 H new ATOM 531 N GLN 1 41 7.558 -1.379 2.927 1.00 0.00 N ATOM 532 CA GLN 1 41 7.489 -1.458 1.473 1.00 0.00 C ATOM 533 C GLN 1 41 6.320 -0.634 0.946 1.00 0.00 C ATOM 534 O GLN 1 41 6.447 0.076 -0.052 1.00 0.00 O ATOM 535 CB GLN 1 41 7.344 -2.914 1.025 1.00 0.00 C ATOM 536 CG GLN 1 41 8.282 -3.869 1.746 1.00 0.00 C ATOM 537 CD GLN 1 41 8.826 -4.951 0.834 1.00 0.00 C ATOM 538 OE1 GLN 1 41 8.390 -6.101 0.887 1.00 0.00 O ATOM 539 NE2 GLN 1 41 9.784 -4.587 -0.010 1.00 0.00 N ATOM 0 H GLN 1 41 7.269 -2.229 3.411 1.00 0.00 H new ATOM 0 HA GLN 1 41 8.415 -1.052 1.065 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 6.315 -3.235 1.189 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 7.530 -2.976 -0.047 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 9.113 -3.305 2.171 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 7.753 -4.333 2.579 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 10.115 -3.622 -0.020 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 10.188 -5.272 -0.648 1.00 0.00 H new ATOM 548 N CYS 1 42 5.183 -0.735 1.625 1.00 0.00 N ATOM 549 CA CYS 1 42 3.988 -0.001 1.230 1.00 0.00 C ATOM 550 C CYS 1 42 2.922 -0.077 2.316 1.00 0.00 C ATOM 551 O CYS 1 42 2.872 -1.038 3.084 1.00 0.00 O ATOM 552 CB CYS 1 42 3.438 -0.555 -0.082 1.00 0.00 C ATOM 553 SG CYS 1 42 1.961 0.318 -0.687 1.00 0.00 S ATOM 0 H CYS 1 42 5.064 -1.319 2.453 1.00 0.00 H new ATOM 0 HA CYS 1 42 4.261 1.045 1.088 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 4.217 -0.502 -0.843 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 3.196 -1.609 0.053 1.00 0.00 H new ATOM 558 N ASN 1 43 2.069 0.940 2.376 1.00 0.00 N ATOM 559 CA ASN 1 43 1.007 0.982 3.372 1.00 0.00 C ATOM 560 C ASN 1 43 -0.368 0.907 2.718 1.00 0.00 C ATOM 561 O ASN 1 43 -1.313 0.380 3.304 1.00 0.00 O ATOM 562 CB ASN 1 43 1.111 2.254 4.213 1.00 0.00 C ATOM 563 CG ASN 1 43 0.623 2.049 5.634 1.00 0.00 C ATOM 564 OD1 ASN 1 43 -0.400 1.404 5.864 1.00 0.00 O ATOM 565 ND2 ASN 1 43 1.354 2.599 6.596 1.00 0.00 N ATOM 0 H ASN 1 43 2.093 1.744 1.748 1.00 0.00 H new ATOM 0 HA ASN 1 43 1.128 0.114 4.020 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 2.148 2.590 4.233 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 0.529 3.046 3.742 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 1.075 2.495 7.571 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 2.195 3.126 6.360 1.00 0.00 H new ATOM 572 N TYR 1 44 -0.477 1.433 1.502 1.00 0.00 N ATOM 573 CA TYR 1 44 -1.748 1.414 0.785 1.00 0.00 C ATOM 574 C TYR 1 44 -1.560 0.922 -0.645 1.00 0.00 C ATOM 575 O TYR 1 44 -0.640 1.345 -1.342 1.00 0.00 O ATOM 576 CB TYR 1 44 -2.391 2.808 0.795 1.00 0.00 C ATOM 577 CG TYR 1 44 -2.139 3.622 -0.458 1.00 0.00 C ATOM 578 CD1 TYR 1 44 -2.731 3.275 -1.668 1.00 0.00 C ATOM 579 CD2 TYR 1 44 -1.310 4.734 -0.428 1.00 0.00 C ATOM 580 CE1 TYR 1 44 -2.503 4.014 -2.810 1.00 0.00 C ATOM 581 CE2 TYR 1 44 -1.078 5.481 -1.568 1.00 0.00 C ATOM 582 CZ TYR 1 44 -1.677 5.117 -2.756 1.00 0.00 C ATOM 583 OH TYR 1 44 -1.449 5.858 -3.893 1.00 0.00 O ATOM 0 H TYR 1 44 0.291 1.874 0.996 1.00 0.00 H new ATOM 0 HA TYR 1 44 -2.415 0.720 1.296 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 -3.467 2.698 0.932 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 -2.015 3.362 1.655 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 -3.380 2.413 -1.714 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 -0.839 5.021 0.500 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 -2.969 3.730 -3.742 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 -0.431 6.345 -1.529 1.00 0.00 H new ATOM 0 HH TYR 1 44 -0.846 6.601 -3.684 1.00 0.00 H new ATOM 593 N GLY 1 45 -2.450 0.041 -1.078 1.00 0.00 N ATOM 594 CA GLY 1 45 -2.373 -0.487 -2.424 1.00 0.00 C ATOM 595 C GLY 1 45 -2.931 -1.890 -2.526 1.00 0.00 C ATOM 596 O GLY 1 45 -3.226 -2.526 -1.514 1.00 0.00 O ATOM 0 H GLY 1 45 -3.225 -0.318 -0.520 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -2.921 0.169 -3.101 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -1.334 -0.487 -2.752 1.00 0.00 H new ATOM 600 N GLU 1 46 -3.081 -2.368 -3.752 1.00 0.00 N ATOM 601 CA GLU 1 46 -3.615 -3.703 -3.996 1.00 0.00 C ATOM 602 C GLU 1 46 -2.711 -4.786 -3.412 1.00 0.00 C ATOM 603 O GLU 1 46 -3.171 -5.883 -3.093 1.00 0.00 O ATOM 604 CB GLU 1 46 -3.784 -3.932 -5.497 1.00 0.00 C ATOM 605 CG GLU 1 46 -5.102 -3.412 -6.048 1.00 0.00 C ATOM 606 CD GLU 1 46 -4.931 -2.163 -6.891 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -4.113 -2.191 -7.834 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -5.615 -1.158 -6.608 1.00 0.00 O ATOM 0 H GLU 1 46 -2.840 -1.851 -4.597 1.00 0.00 H new ATOM 0 HA GLU 1 46 -4.584 -3.767 -3.501 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -2.963 -3.447 -6.025 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -3.709 -5.000 -5.704 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -5.572 -4.190 -6.650 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -5.778 -3.197 -5.220 1.00 0.00 H new ATOM 615 N CYS 1 47 -1.422 -4.485 -3.292 1.00 0.00 N ATOM 616 CA CYS 1 47 -0.460 -5.450 -2.766 1.00 0.00 C ATOM 617 C CYS 1 47 0.163 -4.988 -1.452 1.00 0.00 C ATOM 618 O CYS 1 47 1.138 -5.577 -0.993 1.00 0.00 O ATOM 619 CB CYS 1 47 0.652 -5.675 -3.788 1.00 0.00 C ATOM 620 SG CYS 1 47 0.342 -7.044 -4.939 1.00 0.00 S ATOM 0 H CYS 1 47 -1.019 -3.584 -3.551 1.00 0.00 H new ATOM 0 HA CYS 1 47 -1.002 -6.376 -2.575 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 0.794 -4.759 -4.361 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 1.584 -5.866 -3.257 1.00 0.00 H new ATOM 625 N CYS 1 48 -0.379 -3.936 -0.854 1.00 0.00 N ATOM 626 CA CYS 1 48 0.168 -3.418 0.395 1.00 0.00 C ATOM 627 C CYS 1 48 -0.605 -3.937 1.601 1.00 0.00 C ATOM 628 O CYS 1 48 -1.834 -3.887 1.634 1.00 0.00 O ATOM 629 CB CYS 1 48 0.163 -1.891 0.375 1.00 0.00 C ATOM 630 SG CYS 1 48 0.703 -1.183 -1.214 1.00 0.00 S ATOM 0 H CYS 1 48 -1.189 -3.428 -1.208 1.00 0.00 H new ATOM 0 HA CYS 1 48 1.195 -3.771 0.485 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 -0.843 -1.536 0.599 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 0.814 -1.523 1.168 1.00 0.00 H new ATOM 635 N ASP 1 49 0.130 -4.437 2.590 1.00 0.00 N ATOM 636 CA ASP 1 49 -0.480 -4.969 3.801 1.00 0.00 C ATOM 637 C ASP 1 49 0.492 -4.917 4.977 1.00 0.00 C ATOM 638 O ASP 1 49 1.407 -5.734 5.079 1.00 0.00 O ATOM 639 CB ASP 1 49 -0.943 -6.409 3.572 1.00 0.00 C ATOM 640 CG ASP 1 49 -2.191 -6.748 4.363 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -3.268 -6.209 4.032 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -2.091 -7.552 5.314 1.00 0.00 O ATOM 0 H ASP 1 49 1.149 -4.484 2.575 1.00 0.00 H new ATOM 0 HA ASP 1 49 -1.343 -4.348 4.042 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -1.137 -6.561 2.510 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -0.142 -7.094 3.851 1.00 0.00 H new ATOM 647 N GLN 1 50 0.278 -3.953 5.866 1.00 0.00 N ATOM 648 CA GLN 1 50 1.121 -3.791 7.049 1.00 0.00 C ATOM 649 C GLN 1 50 2.596 -3.643 6.677 1.00 0.00 C ATOM 650 O GLN 1 50 3.439 -4.426 7.115 1.00 0.00 O ATOM 651 CB GLN 1 50 0.938 -4.982 7.992 1.00 0.00 C ATOM 652 CG GLN 1 50 1.132 -4.632 9.458 1.00 0.00 C ATOM 653 CD GLN 1 50 0.275 -5.479 10.378 1.00 0.00 C ATOM 654 OE1 GLN 1 50 0.059 -6.665 10.127 1.00 0.00 O ATOM 655 NE2 GLN 1 50 -0.219 -4.873 11.452 1.00 0.00 N ATOM 0 H GLN 1 50 -0.475 -3.269 5.791 1.00 0.00 H new ATOM 0 HA GLN 1 50 0.811 -2.876 7.553 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 -0.062 -5.393 7.854 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 1.645 -5.765 7.717 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 2.181 -4.762 9.723 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 0.893 -3.580 9.611 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 -0.015 -3.888 11.621 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 -0.803 -5.393 12.107 1.00 0.00 H new ATOM 664 N CYS 1 51 2.902 -2.624 5.882 1.00 0.00 N ATOM 665 CA CYS 1 51 4.278 -2.358 5.466 1.00 0.00 C ATOM 666 C CYS 1 51 4.913 -3.576 4.796 1.00 0.00 C ATOM 667 O CYS 1 51 6.138 -3.688 4.737 1.00 0.00 O ATOM 668 CB CYS 1 51 5.133 -1.935 6.669 1.00 0.00 C ATOM 669 SG CYS 1 51 4.188 -1.278 8.085 1.00 0.00 S ATOM 0 H CYS 1 51 2.216 -1.966 5.511 1.00 0.00 H new ATOM 0 HA CYS 1 51 4.242 -1.546 4.739 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 5.713 -2.794 7.005 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 5.845 -1.177 6.342 1.00 0.00 H new ATOM 674 N ARG 1 52 4.085 -4.485 4.291 1.00 0.00 N ATOM 675 CA ARG 1 52 4.591 -5.683 3.629 1.00 0.00 C ATOM 676 C ARG 1 52 3.724 -6.052 2.431 1.00 0.00 C ATOM 677 O ARG 1 52 2.500 -6.124 2.538 1.00 0.00 O ATOM 678 CB ARG 1 52 4.642 -6.852 4.615 1.00 0.00 C ATOM 679 CG ARG 1 52 5.922 -6.902 5.434 1.00 0.00 C ATOM 680 CD ARG 1 52 7.118 -7.278 4.575 1.00 0.00 C ATOM 681 NE ARG 1 52 8.346 -6.633 5.032 1.00 0.00 N ATOM 682 CZ ARG 1 52 8.961 -6.934 6.174 1.00 0.00 C ATOM 683 NH1 ARG 1 52 8.467 -7.869 6.975 1.00 0.00 N ATOM 684 NH2 ARG 1 52 10.074 -6.298 6.514 1.00 0.00 N ATOM 0 H ARG 1 52 3.068 -4.416 4.327 1.00 0.00 H new ATOM 0 HA ARG 1 52 5.599 -5.471 3.272 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 3.790 -6.783 5.292 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 4.537 -7.786 4.064 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 6.097 -5.931 5.898 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 5.811 -7.626 6.241 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 7.250 -8.360 4.591 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 6.924 -6.996 3.540 1.00 0.00 H new ATOM 0 HE ARG 1 52 8.757 -5.910 4.442 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 7.612 -8.362 6.717 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 8.942 -8.095 7.849 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 10.458 -5.579 5.901 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 10.546 -6.528 7.389 1.00 0.00 H new ATOM 698 N PHE 1 53 4.365 -6.285 1.289 1.00 0.00 N ATOM 699 CA PHE 1 53 3.640 -6.644 0.077 1.00 0.00 C ATOM 700 C PHE 1 53 2.913 -7.969 0.253 1.00 0.00 C ATOM 701 O PHE 1 53 3.439 -8.900 0.861 1.00 0.00 O ATOM 702 CB PHE 1 53 4.587 -6.732 -1.124 1.00 0.00 C ATOM 703 CG PHE 1 53 4.987 -5.394 -1.678 1.00 0.00 C ATOM 704 CD1 PHE 1 53 4.075 -4.352 -1.734 1.00 0.00 C ATOM 705 CD2 PHE 1 53 6.274 -5.179 -2.144 1.00 0.00 C ATOM 706 CE1 PHE 1 53 4.439 -3.123 -2.242 1.00 0.00 C ATOM 707 CE2 PHE 1 53 6.644 -3.950 -2.654 1.00 0.00 C ATOM 708 CZ PHE 1 53 5.725 -2.919 -2.703 1.00 0.00 C ATOM 0 H PHE 1 53 5.378 -6.232 1.179 1.00 0.00 H new ATOM 0 HA PHE 1 53 2.907 -5.860 -0.111 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 5.484 -7.276 -0.829 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 4.107 -7.313 -1.912 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 3.068 -4.504 -1.376 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 6.996 -5.981 -2.108 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 3.718 -2.319 -2.279 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 7.650 -3.795 -3.014 1.00 0.00 H new ATOM 0 HZ PHE 1 53 6.011 -1.957 -3.101 1.00 0.00 H new ATOM 718 N LYS 1 54 1.703 -8.052 -0.290 1.00 0.00 N ATOM 719 CA LYS 1 54 0.916 -9.273 -0.194 1.00 0.00 C ATOM 720 C LYS 1 54 1.666 -10.435 -0.836 1.00 0.00 C ATOM 721 O LYS 1 54 1.685 -10.568 -2.057 1.00 0.00 O ATOM 722 CB LYS 1 54 -0.443 -9.087 -0.872 1.00 0.00 C ATOM 723 CG LYS 1 54 -1.393 -8.191 -0.094 1.00 0.00 C ATOM 724 CD LYS 1 54 -2.046 -8.939 1.057 1.00 0.00 C ATOM 725 CE LYS 1 54 -3.378 -8.316 1.441 1.00 0.00 C ATOM 726 NZ LYS 1 54 -4.359 -9.339 1.898 1.00 0.00 N ATOM 0 H LYS 1 54 1.249 -7.293 -0.798 1.00 0.00 H new ATOM 0 HA LYS 1 54 0.752 -9.498 0.860 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -0.290 -8.665 -1.865 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -0.908 -10.063 -1.009 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -0.848 -7.330 0.293 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -2.163 -7.807 -0.763 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -2.198 -9.981 0.776 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -1.379 -8.936 1.919 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -3.221 -7.584 2.233 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -3.787 -7.778 0.586 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -5.254 -8.873 2.150 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -4.528 -10.023 1.133 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -3.981 -9.836 2.730 1.00 0.00 H new ATOM 740 N LYS 1 55 2.291 -11.266 -0.003 1.00 0.00 N ATOM 741 CA LYS 1 55 3.059 -12.418 -0.480 1.00 0.00 C ATOM 742 C LYS 1 55 2.478 -12.981 -1.774 1.00 0.00 C ATOM 743 O LYS 1 55 1.280 -13.263 -1.857 1.00 0.00 O ATOM 744 CB LYS 1 55 3.093 -13.510 0.591 1.00 0.00 C ATOM 745 CG LYS 1 55 3.930 -14.718 0.202 1.00 0.00 C ATOM 746 CD LYS 1 55 4.039 -15.712 1.346 1.00 0.00 C ATOM 747 CE LYS 1 55 5.376 -16.435 1.331 1.00 0.00 C ATOM 748 NZ LYS 1 55 5.291 -17.745 0.629 1.00 0.00 N ATOM 0 H LYS 1 55 2.281 -11.163 1.012 1.00 0.00 H new ATOM 0 HA LYS 1 55 4.074 -12.078 -0.684 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 3.487 -13.088 1.516 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 2.074 -13.836 0.798 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 3.485 -15.207 -0.665 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 4.927 -14.391 -0.094 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 3.917 -15.190 2.295 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 3.230 -16.439 1.276 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 6.122 -15.809 0.842 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 5.715 -16.593 2.355 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 6.223 -18.206 0.641 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 4.598 -18.353 1.111 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 4.993 -17.593 -0.356 1.00 0.00 H new ATOM 762 N ALA 1 56 3.334 -13.129 -2.786 1.00 0.00 N ATOM 763 CA ALA 1 56 2.905 -13.649 -4.079 1.00 0.00 C ATOM 764 C ALA 1 56 1.901 -14.774 -3.905 1.00 0.00 C ATOM 765 O ALA 1 56 2.122 -15.706 -3.131 1.00 0.00 O ATOM 766 CB ALA 1 56 4.091 -14.136 -4.890 1.00 0.00 C ATOM 0 H ALA 1 56 4.326 -12.896 -2.733 1.00 0.00 H new ATOM 0 HA ALA 1 56 2.425 -12.833 -4.619 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 3.743 -14.519 -5.850 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 4.781 -13.309 -5.058 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 4.602 -14.931 -4.346 1.00 0.00 H new ATOM 772 N GLY 1 57 0.789 -14.668 -4.607 1.00 0.00 N ATOM 773 CA GLY 1 57 -0.247 -15.673 -4.495 1.00 0.00 C ATOM 774 C GLY 1 57 -1.512 -15.101 -3.896 1.00 0.00 C ATOM 775 O GLY 1 57 -2.571 -15.728 -3.945 1.00 0.00 O ATOM 0 H GLY 1 57 0.582 -13.906 -5.253 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -0.464 -16.085 -5.481 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 0.109 -16.497 -3.877 1.00 0.00 H new ATOM 779 N THR 1 58 -1.407 -13.894 -3.341 1.00 0.00 N ATOM 780 CA THR 1 58 -2.555 -13.226 -2.750 1.00 0.00 C ATOM 781 C THR 1 58 -3.431 -12.625 -3.844 1.00 0.00 C ATOM 782 O THR 1 58 -3.027 -11.680 -4.522 1.00 0.00 O ATOM 783 CB THR 1 58 -2.103 -12.126 -1.790 1.00 0.00 C ATOM 784 OG1 THR 1 58 -1.297 -12.661 -0.755 1.00 0.00 O ATOM 785 CG2 THR 1 58 -3.261 -11.403 -1.146 1.00 0.00 C ATOM 0 H THR 1 58 -0.537 -13.363 -3.291 1.00 0.00 H new ATOM 0 HA THR 1 58 -3.131 -13.964 -2.191 1.00 0.00 H new ATOM 0 HB THR 1 58 -1.537 -11.418 -2.396 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -0.409 -12.877 -1.110 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -2.881 -10.633 -0.475 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -3.876 -10.940 -1.918 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -3.864 -12.113 -0.580 1.00 0.00 H new ATOM 793 N VAL 1 59 -4.625 -13.178 -4.021 1.00 0.00 N ATOM 794 CA VAL 1 59 -5.537 -12.688 -5.045 1.00 0.00 C ATOM 795 C VAL 1 59 -6.099 -11.317 -4.679 1.00 0.00 C ATOM 796 O VAL 1 59 -6.805 -11.173 -3.681 1.00 0.00 O ATOM 797 CB VAL 1 59 -6.713 -13.661 -5.277 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -7.521 -13.839 -4.000 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -7.599 -13.173 -6.416 1.00 0.00 C ATOM 0 H VAL 1 59 -4.982 -13.961 -3.473 1.00 0.00 H new ATOM 0 HA VAL 1 59 -4.954 -12.609 -5.963 1.00 0.00 H new ATOM 0 HB VAL 1 59 -6.304 -14.632 -5.559 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -8.345 -14.528 -4.184 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -6.879 -14.242 -3.216 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -7.918 -12.875 -3.683 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -8.421 -13.873 -6.563 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -7.999 -12.189 -6.170 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -7.011 -13.107 -7.332 1.00 0.00 H new ATOM 809 N CYS 1 60 -5.789 -10.314 -5.495 1.00 0.00 N ATOM 810 CA CYS 1 60 -6.276 -8.960 -5.251 1.00 0.00 C ATOM 811 C CYS 1 60 -7.455 -8.619 -6.163 1.00 0.00 C ATOM 812 O CYS 1 60 -8.243 -7.723 -5.861 1.00 0.00 O ATOM 813 CB CYS 1 60 -5.161 -7.938 -5.463 1.00 0.00 C ATOM 814 SG CYS 1 60 -3.595 -8.357 -4.637 1.00 0.00 S ATOM 0 H CYS 1 60 -5.206 -10.412 -6.326 1.00 0.00 H new ATOM 0 HA CYS 1 60 -6.612 -8.919 -4.215 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -4.978 -7.834 -6.532 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -5.500 -6.967 -5.102 1.00 0.00 H new ATOM 819 N ARG 1 61 -7.562 -9.328 -7.283 1.00 0.00 N ATOM 820 CA ARG 1 61 -8.639 -9.087 -8.242 1.00 0.00 C ATOM 821 C ARG 1 61 -8.996 -10.357 -9.011 1.00 0.00 C ATOM 822 O ARG 1 61 -8.432 -11.425 -8.774 1.00 0.00 O ATOM 823 CB ARG 1 61 -8.239 -7.980 -9.228 1.00 0.00 C ATOM 824 CG ARG 1 61 -9.333 -6.947 -9.461 1.00 0.00 C ATOM 825 CD ARG 1 61 -9.244 -6.307 -10.846 1.00 0.00 C ATOM 826 NE ARG 1 61 -7.880 -6.267 -11.376 1.00 0.00 N ATOM 827 CZ ARG 1 61 -6.867 -5.635 -10.787 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -7.060 -4.945 -9.670 1.00 0.00 N ATOM 829 NH2 ARG 1 61 -5.658 -5.678 -11.330 1.00 0.00 N ATOM 0 H ARG 1 61 -6.918 -10.073 -7.550 1.00 0.00 H new ATOM 0 HA ARG 1 61 -9.517 -8.770 -7.679 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -7.348 -7.476 -8.853 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -7.971 -8.434 -10.182 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -10.308 -7.421 -9.345 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -9.264 -6.170 -8.700 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -9.879 -6.861 -11.537 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -9.637 -5.292 -10.796 1.00 0.00 H new ATOM 0 HE ARG 1 61 -7.694 -6.754 -12.252 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -7.991 -4.896 -9.255 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 -6.278 -4.464 -9.226 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 -5.506 -6.194 -12.197 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 -4.880 -5.195 -10.881 1.00 0.00 H new ATOM 843 N ILE 1 62 -9.935 -10.222 -9.940 1.00 0.00 N ATOM 844 CA ILE 1 62 -10.377 -11.335 -10.765 1.00 0.00 C ATOM 845 C ILE 1 62 -11.430 -10.863 -11.752 1.00 0.00 C ATOM 846 O ILE 1 62 -12.344 -10.120 -11.395 1.00 0.00 O ATOM 847 CB ILE 1 62 -10.948 -12.493 -9.924 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -11.449 -13.625 -10.826 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -12.069 -11.994 -9.029 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -10.353 -14.293 -11.626 1.00 0.00 C ATOM 0 H ILE 1 62 -10.408 -9.341 -10.141 1.00 0.00 H new ATOM 0 HA ILE 1 62 -9.503 -11.709 -11.298 1.00 0.00 H new ATOM 0 HB ILE 1 62 -10.148 -12.886 -9.296 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -11.947 -14.375 -10.211 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -12.197 -13.228 -11.512 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -12.462 -12.824 -8.441 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -11.685 -11.225 -8.359 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -12.866 -11.575 -9.643 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -10.782 -15.084 -12.241 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -9.870 -13.556 -12.268 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -9.616 -14.721 -10.947 1.00 0.00 H new ATOM 862 N ALA 1 63 -11.291 -11.290 -12.994 1.00 0.00 N ATOM 863 CA ALA 1 63 -12.228 -10.899 -14.033 1.00 0.00 C ATOM 864 C ALA 1 63 -13.634 -11.423 -13.724 1.00 0.00 C ATOM 865 O ALA 1 63 -14.371 -10.802 -12.958 1.00 0.00 O ATOM 866 CB ALA 1 63 -11.730 -11.348 -15.402 1.00 0.00 C ATOM 0 H ALA 1 63 -10.541 -11.906 -13.308 1.00 0.00 H new ATOM 0 HA ALA 1 63 -12.293 -9.811 -14.056 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -12.446 -11.046 -16.167 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -10.764 -10.887 -15.607 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -11.624 -12.433 -15.413 1.00 0.00 H new ATOM 872 N ARG 1 64 -14.006 -12.564 -14.300 1.00 0.00 N ATOM 873 CA ARG 1 64 -15.323 -13.144 -14.051 1.00 0.00 C ATOM 874 C ARG 1 64 -15.250 -14.666 -13.977 1.00 0.00 C ATOM 875 O ARG 1 64 -15.476 -15.353 -14.972 1.00 0.00 O ATOM 876 CB ARG 1 64 -16.304 -12.723 -15.147 1.00 0.00 C ATOM 877 CG ARG 1 64 -17.025 -11.419 -14.849 1.00 0.00 C ATOM 878 CD ARG 1 64 -17.795 -11.495 -13.540 1.00 0.00 C ATOM 879 NE ARG 1 64 -19.051 -10.752 -13.599 1.00 0.00 N ATOM 880 CZ ARG 1 64 -19.125 -9.425 -13.680 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -18.018 -8.692 -13.711 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -20.308 -8.829 -13.730 1.00 0.00 N ATOM 0 H ARG 1 64 -13.419 -13.102 -14.938 1.00 0.00 H new ATOM 0 HA ARG 1 64 -15.677 -12.771 -13.090 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -15.763 -12.623 -16.088 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -17.042 -13.513 -15.286 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -16.302 -10.605 -14.800 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -17.711 -11.187 -15.663 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -18.002 -12.538 -13.301 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -17.178 -11.100 -12.733 1.00 0.00 H new ATOM 0 HE ARG 1 64 -19.923 -11.281 -13.577 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -17.105 -9.145 -13.673 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -18.081 -7.676 -13.773 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -21.162 -9.387 -13.706 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -20.365 -7.812 -13.792 1.00 0.00 H new ATOM 896 N GLY 1 65 -14.947 -15.194 -12.799 1.00 0.00 N ATOM 897 CA GLY 1 65 -14.861 -16.632 -12.641 1.00 0.00 C ATOM 898 C GLY 1 65 -13.535 -17.070 -12.061 1.00 0.00 C ATOM 899 O GLY 1 65 -13.288 -16.917 -10.865 1.00 0.00 O ATOM 0 H GLY 1 65 -14.760 -14.655 -11.953 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -15.668 -16.972 -11.993 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -15.007 -17.111 -13.609 1.00 0.00 H new ATOM 903 N ASP 1 66 -12.679 -17.614 -12.916 1.00 0.00 N ATOM 904 CA ASP 1 66 -11.363 -18.074 -12.493 1.00 0.00 C ATOM 905 C ASP 1 66 -10.593 -18.684 -13.657 1.00 0.00 C ATOM 906 O ASP 1 66 -10.696 -19.880 -13.931 1.00 0.00 O ATOM 907 CB ASP 1 66 -11.489 -19.092 -11.357 1.00 0.00 C ATOM 908 CG ASP 1 66 -12.493 -20.184 -11.667 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -13.708 -19.896 -11.650 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -12.065 -21.328 -11.929 1.00 0.00 O ATOM 0 H ASP 1 66 -12.873 -17.748 -13.908 1.00 0.00 H new ATOM 0 HA ASP 1 66 -10.808 -17.208 -12.132 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -10.515 -19.542 -11.166 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -11.787 -18.577 -10.443 1.00 0.00 H new ATOM 915 N TRP 1 67 -9.819 -17.847 -14.334 1.00 0.00 N ATOM 916 CA TRP 1 67 -9.015 -18.280 -15.472 1.00 0.00 C ATOM 917 C TRP 1 67 -7.542 -18.015 -15.203 1.00 0.00 C ATOM 918 O TRP 1 67 -6.746 -18.935 -15.020 1.00 0.00 O ATOM 919 CB TRP 1 67 -9.444 -17.538 -16.744 1.00 0.00 C ATOM 920 CG TRP 1 67 -10.439 -16.441 -16.500 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -10.242 -15.270 -15.814 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -11.796 -16.417 -16.943 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -11.395 -14.535 -15.800 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -12.363 -15.213 -16.491 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -12.585 -17.299 -17.680 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -13.683 -14.870 -16.753 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -13.898 -16.959 -17.942 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -14.436 -15.752 -17.479 1.00 0.00 C ATOM 0 H TRP 1 67 -9.730 -16.855 -14.113 1.00 0.00 H new ATOM 0 HA TRP 1 67 -9.170 -19.349 -15.615 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -8.560 -17.115 -17.222 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -9.872 -18.255 -17.444 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -9.312 -14.972 -15.352 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -11.514 -13.628 -15.348 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -12.177 -18.232 -18.040 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -14.100 -13.940 -16.396 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -14.519 -17.634 -18.512 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -15.466 -15.512 -17.699 1.00 0.00 H new ATOM 939 N ASN 1 68 -7.206 -16.737 -15.173 1.00 0.00 N ATOM 940 CA ASN 1 68 -5.845 -16.292 -14.919 1.00 0.00 C ATOM 941 C ASN 1 68 -5.744 -15.722 -13.514 1.00 0.00 C ATOM 942 O ASN 1 68 -4.704 -15.815 -12.862 1.00 0.00 O ATOM 943 CB ASN 1 68 -5.435 -15.223 -15.931 1.00 0.00 C ATOM 944 CG ASN 1 68 -6.024 -15.462 -17.311 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -7.320 -15.195 -17.461 1.00 0.00 O flip ATOM 946 ND2 ASN 1 68 -5.323 -15.880 -18.232 1.00 0.00 N flip ATOM 0 H ASN 1 68 -7.869 -15.977 -15.324 1.00 0.00 H new ATOM 0 HA ASN 1 68 -5.176 -17.147 -15.017 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -5.754 -14.245 -15.569 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -4.348 -15.197 -16.005 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -4.334 -16.072 -18.073 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -5.731 -16.035 -19.154 1.00 0.00 H new ATOM 953 N ASP 1 69 -6.844 -15.133 -13.056 1.00 0.00 N ATOM 954 CA ASP 1 69 -6.904 -14.546 -11.730 1.00 0.00 C ATOM 955 C ASP 1 69 -5.896 -13.425 -11.568 1.00 0.00 C ATOM 956 O ASP 1 69 -4.945 -13.304 -12.341 1.00 0.00 O ATOM 957 CB ASP 1 69 -6.630 -15.604 -10.672 1.00 0.00 C ATOM 958 CG ASP 1 69 -7.850 -16.446 -10.357 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -8.423 -17.036 -11.297 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -8.234 -16.516 -9.170 1.00 0.00 O ATOM 0 H ASP 1 69 -7.709 -15.051 -13.591 1.00 0.00 H new ATOM 0 HA ASP 1 69 -7.907 -14.138 -11.604 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -5.824 -16.253 -11.014 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -6.283 -15.118 -9.760 1.00 0.00 H new ATOM 965 N ASP 1 70 -6.099 -12.628 -10.532 1.00 0.00 N ATOM 966 CA ASP 1 70 -5.201 -11.534 -10.223 1.00 0.00 C ATOM 967 C ASP 1 70 -4.446 -11.864 -8.954 1.00 0.00 C ATOM 968 O ASP 1 70 -5.053 -12.105 -7.915 1.00 0.00 O ATOM 969 CB ASP 1 70 -5.976 -10.228 -10.061 1.00 0.00 C ATOM 970 CG ASP 1 70 -5.063 -9.038 -9.837 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -3.883 -9.253 -9.491 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -5.528 -7.891 -10.000 1.00 0.00 O ATOM 0 H ASP 1 70 -6.885 -12.722 -9.888 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.496 -11.401 -11.044 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -6.582 -10.055 -10.951 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -6.663 -10.319 -9.220 1.00 0.00 H new ATOM 977 N TYR 1 71 -3.125 -11.921 -9.045 1.00 0.00 N ATOM 978 CA TYR 1 71 -2.325 -12.281 -7.889 1.00 0.00 C ATOM 979 C TYR 1 71 -1.126 -11.382 -7.678 1.00 0.00 C ATOM 980 O TYR 1 71 -0.486 -10.928 -8.625 1.00 0.00 O ATOM 981 CB TYR 1 71 -1.849 -13.715 -8.035 1.00 0.00 C ATOM 982 CG TYR 1 71 -2.927 -14.711 -7.738 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -3.317 -14.939 -6.435 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -3.557 -15.412 -8.753 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -4.305 -15.844 -6.135 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -4.552 -16.322 -8.472 1.00 0.00 C ATOM 987 CZ TYR 1 71 -4.926 -16.539 -7.157 1.00 0.00 C ATOM 988 OH TYR 1 71 -5.918 -17.447 -6.867 1.00 0.00 O ATOM 0 H TYR 1 71 -2.594 -11.726 -9.894 1.00 0.00 H new ATOM 0 HA TYR 1 71 -2.967 -12.162 -7.016 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -1.484 -13.872 -9.050 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -1.007 -13.885 -7.364 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -2.836 -14.395 -5.635 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -3.264 -15.243 -9.779 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -4.595 -16.012 -5.108 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -5.037 -16.862 -9.272 1.00 0.00 H new ATOM 0 HH TYR 1 71 -6.249 -17.846 -7.698 1.00 0.00 H new ATOM 998 N CYS 1 72 -0.822 -11.160 -6.408 1.00 0.00 N ATOM 999 CA CYS 1 72 0.313 -10.345 -6.022 1.00 0.00 C ATOM 1000 C CYS 1 72 1.614 -11.067 -6.346 1.00 0.00 C ATOM 1001 O CYS 1 72 1.622 -12.278 -6.573 1.00 0.00 O ATOM 1002 CB CYS 1 72 0.247 -10.034 -4.530 1.00 0.00 C ATOM 1003 SG CYS 1 72 1.257 -8.607 -4.035 1.00 0.00 S ATOM 0 H CYS 1 72 -1.353 -11.538 -5.623 1.00 0.00 H new ATOM 0 HA CYS 1 72 0.281 -9.410 -6.582 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -0.790 -9.847 -4.253 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 0.574 -10.911 -3.971 1.00 0.00 H new ATOM 1008 N THR 1 73 2.711 -10.320 -6.368 1.00 0.00 N ATOM 1009 CA THR 1 73 4.018 -10.894 -6.667 1.00 0.00 C ATOM 1010 C THR 1 73 5.001 -10.665 -5.517 1.00 0.00 C ATOM 1011 O THR 1 73 6.159 -11.075 -5.592 1.00 0.00 O ATOM 1012 CB THR 1 73 4.569 -10.293 -7.960 1.00 0.00 C ATOM 1013 OG1 THR 1 73 5.124 -9.011 -7.722 1.00 0.00 O ATOM 1014 CG2 THR 1 73 3.520 -10.145 -9.043 1.00 0.00 C ATOM 0 H THR 1 73 2.722 -9.317 -6.183 1.00 0.00 H new ATOM 0 HA THR 1 73 3.895 -11.970 -6.794 1.00 0.00 H new ATOM 0 HB THR 1 73 5.330 -10.994 -8.304 1.00 0.00 H new ATOM 0 HG1 THR 1 73 5.473 -8.644 -8.561 1.00 0.00 H new ATOM 0 HG21 THR 1 73 3.975 -9.713 -9.934 1.00 0.00 H new ATOM 0 HG22 THR 1 73 3.106 -11.124 -9.285 1.00 0.00 H new ATOM 0 HG23 THR 1 73 2.722 -9.491 -8.690 1.00 0.00 H new ATOM 1022 N GLY 1 74 4.532 -10.015 -4.454 1.00 0.00 N ATOM 1023 CA GLY 1 74 5.383 -9.752 -3.308 1.00 0.00 C ATOM 1024 C GLY 1 74 6.582 -8.891 -3.653 1.00 0.00 C ATOM 1025 O GLY 1 74 7.585 -8.903 -2.940 1.00 0.00 O ATOM 0 H GLY 1 74 3.577 -9.666 -4.367 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 4.798 -9.258 -2.532 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 5.729 -10.699 -2.893 1.00 0.00 H new ATOM 1029 N LYS 1 75 6.484 -8.143 -4.748 1.00 0.00 N ATOM 1030 CA LYS 1 75 7.577 -7.277 -5.177 1.00 0.00 C ATOM 1031 C LYS 1 75 7.078 -5.880 -5.546 1.00 0.00 C ATOM 1032 O LYS 1 75 7.844 -5.059 -6.050 1.00 0.00 O ATOM 1033 CB LYS 1 75 8.306 -7.895 -6.372 1.00 0.00 C ATOM 1034 CG LYS 1 75 8.699 -9.350 -6.163 1.00 0.00 C ATOM 1035 CD LYS 1 75 8.148 -10.240 -7.264 1.00 0.00 C ATOM 1036 CE LYS 1 75 9.100 -10.321 -8.446 1.00 0.00 C ATOM 1037 NZ LYS 1 75 8.809 -9.276 -9.466 1.00 0.00 N ATOM 0 H LYS 1 75 5.663 -8.119 -5.352 1.00 0.00 H new ATOM 0 HA LYS 1 75 8.267 -7.181 -4.339 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 7.668 -7.823 -7.253 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 9.203 -7.312 -6.580 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 9.785 -9.434 -6.136 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 8.328 -9.693 -5.197 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 7.971 -11.241 -6.869 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 7.185 -9.854 -7.597 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 10.126 -10.209 -8.094 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 9.026 -11.307 -8.905 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 9.480 -9.365 -10.256 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 7.839 -9.398 -9.821 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 8.905 -8.334 -9.035 1.00 0.00 H new ATOM 1051 N SER 1 76 5.798 -5.609 -5.299 1.00 0.00 N ATOM 1052 CA SER 1 76 5.230 -4.303 -5.619 1.00 0.00 C ATOM 1053 C SER 1 76 3.845 -4.129 -5.004 1.00 0.00 C ATOM 1054 O SER 1 76 3.265 -5.074 -4.471 1.00 0.00 O ATOM 1055 CB SER 1 76 5.150 -4.120 -7.136 1.00 0.00 C ATOM 1056 OG SER 1 76 4.473 -2.920 -7.470 1.00 0.00 O ATOM 0 H SER 1 76 5.141 -6.269 -4.883 1.00 0.00 H new ATOM 0 HA SER 1 76 5.886 -3.543 -5.195 1.00 0.00 H new ATOM 0 HB2 SER 1 76 6.155 -4.103 -7.557 1.00 0.00 H new ATOM 0 HB3 SER 1 76 4.632 -4.969 -7.581 1.00 0.00 H new ATOM 0 HG SER 1 76 4.437 -2.825 -8.445 1.00 0.00 H new ATOM 1062 N SER 1 77 3.323 -2.908 -5.090 1.00 0.00 N ATOM 1063 CA SER 1 77 2.004 -2.590 -4.551 1.00 0.00 C ATOM 1064 C SER 1 77 0.912 -2.829 -5.593 1.00 0.00 C ATOM 1065 O SER 1 77 -0.239 -2.440 -5.394 1.00 0.00 O ATOM 1066 CB SER 1 77 1.962 -1.134 -4.082 1.00 0.00 C ATOM 1067 OG SER 1 77 2.513 -0.267 -5.058 1.00 0.00 O ATOM 0 H SER 1 77 3.796 -2.119 -5.530 1.00 0.00 H new ATOM 0 HA SER 1 77 1.820 -3.248 -3.702 1.00 0.00 H new ATOM 0 HB2 SER 1 77 0.932 -0.845 -3.875 1.00 0.00 H new ATOM 0 HB3 SER 1 77 2.515 -1.034 -3.148 1.00 0.00 H new ATOM 0 HG SER 1 77 2.473 0.657 -4.735 1.00 0.00 H new ATOM 1073 N ASP 1 78 1.277 -3.472 -6.700 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.323 -3.758 -7.764 1.00 0.00 C ATOM 1075 C ASP 1 78 0.058 -5.256 -7.877 1.00 0.00 C ATOM 1076 O ASP 1 78 0.955 -6.075 -7.678 1.00 0.00 O ATOM 1077 CB ASP 1 78 0.841 -3.219 -9.099 1.00 0.00 C ATOM 1078 CG ASP 1 78 0.576 -1.735 -9.265 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 -0.608 -1.352 -9.370 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 1.553 -0.957 -9.290 1.00 0.00 O ATOM 0 H ASP 1 78 2.224 -3.803 -6.882 1.00 0.00 H new ATOM 0 HA ASP 1 78 -0.615 -3.262 -7.516 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 1.913 -3.404 -9.171 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 0.368 -3.764 -9.916 1.00 0.00 H new ATOM 1085 N CYS 1 79 -1.184 -5.603 -8.197 1.00 0.00 N ATOM 1086 CA CYS 1 79 -1.585 -6.999 -8.339 1.00 0.00 C ATOM 1087 C CYS 1 79 -2.053 -7.285 -9.768 1.00 0.00 C ATOM 1088 O CYS 1 79 -3.171 -6.927 -10.140 1.00 0.00 O ATOM 1089 CB CYS 1 79 -2.709 -7.319 -7.352 1.00 0.00 C ATOM 1090 SG CYS 1 79 -2.311 -8.652 -6.179 1.00 0.00 S ATOM 0 H CYS 1 79 -1.935 -4.933 -8.364 1.00 0.00 H new ATOM 0 HA CYS 1 79 -0.723 -7.630 -8.124 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -2.953 -6.417 -6.791 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.602 -7.597 -7.912 1.00 0.00 H new ATOM 1095 N PRO 1 80 -1.211 -7.937 -10.592 1.00 0.00 N ATOM 1096 CA PRO 1 80 -1.567 -8.260 -11.979 1.00 0.00 C ATOM 1097 C PRO 1 80 -2.738 -9.235 -12.065 1.00 0.00 C ATOM 1098 O PRO 1 80 -2.738 -10.281 -11.419 1.00 0.00 O ATOM 1099 CB PRO 1 80 -0.295 -8.896 -12.545 1.00 0.00 C ATOM 1100 CG PRO 1 80 0.461 -9.373 -11.352 1.00 0.00 C ATOM 1101 CD PRO 1 80 0.142 -8.407 -10.246 1.00 0.00 C ATOM 0 HA PRO 1 80 -1.891 -7.376 -12.528 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 -0.532 -9.720 -13.218 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 0.286 -8.174 -13.118 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 0.165 -10.387 -11.082 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 1.532 -9.397 -11.553 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 0.163 -8.891 -9.270 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 0.857 -7.585 -10.210 1.00 0.00 H new ATOM 1109 N TRP 1 81 -3.735 -8.869 -12.863 1.00 0.00 N ATOM 1110 CA TRP 1 81 -4.933 -9.689 -13.041 1.00 0.00 C ATOM 1111 C TRP 1 81 -4.913 -10.484 -14.345 1.00 0.00 C ATOM 1112 O TRP 1 81 -5.839 -11.238 -14.639 1.00 0.00 O ATOM 1113 CB TRP 1 81 -6.186 -8.822 -12.975 1.00 0.00 C ATOM 1114 CG TRP 1 81 -6.251 -7.714 -13.986 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 -5.226 -6.962 -14.493 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 -7.438 -7.225 -14.594 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 -5.717 -6.033 -15.373 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 -7.076 -6.177 -15.452 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -8.774 -7.582 -14.486 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 -8.014 -5.477 -16.200 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 -9.711 -6.891 -15.229 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 -9.327 -5.846 -16.076 1.00 0.00 C ATOM 0 H TRP 1 81 -3.739 -8.003 -13.402 1.00 0.00 H new ATOM 0 HA TRP 1 81 -4.946 -10.411 -12.224 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -7.059 -9.462 -13.105 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -6.255 -8.387 -11.978 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 -4.184 -7.083 -14.237 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 -5.161 -5.347 -15.885 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -9.076 -8.387 -13.832 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 -7.719 -4.671 -16.855 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 -10.754 -7.161 -15.155 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 -10.081 -5.320 -16.643 1.00 0.00 H new ATOM 1133 N ASN 1 82 -3.849 -10.318 -15.106 1.00 0.00 N ATOM 1134 CA ASN 1 82 -3.675 -11.020 -16.378 1.00 0.00 C ATOM 1135 C ASN 1 82 -4.954 -11.010 -17.213 1.00 0.00 C ATOM 1136 O ASN 1 82 -5.300 -12.010 -17.843 1.00 0.00 O ATOM 1137 CB ASN 1 82 -3.230 -12.462 -16.126 1.00 0.00 C ATOM 1138 CG ASN 1 82 -1.913 -12.539 -15.380 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -1.295 -11.517 -15.081 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -1.476 -13.755 -15.075 1.00 0.00 N ATOM 0 H ASN 1 82 -3.077 -9.695 -14.867 1.00 0.00 H new ATOM 0 HA ASN 1 82 -2.905 -10.492 -16.942 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -3.999 -12.982 -15.555 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -3.135 -12.982 -17.079 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -0.595 -13.869 -14.573 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -2.021 -14.575 -15.343 1.00 0.00 H new ATOM 1147 N HIS 1 83 -5.650 -9.879 -17.219 1.00 0.00 N ATOM 1148 CA HIS 1 83 -6.886 -9.750 -17.984 1.00 0.00 C ATOM 1149 C HIS 1 83 -6.907 -8.443 -18.771 1.00 0.00 C ATOM 1150 O HIS 1 83 -7.634 -8.375 -19.784 1.00 0.00 O ATOM 1151 CB HIS 1 83 -8.097 -9.818 -17.054 1.00 0.00 C ATOM 1152 CG HIS 1 83 -8.091 -11.015 -16.155 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -8.501 -10.971 -14.840 1.00 0.00 N ATOM 1154 CD2 HIS 1 83 -7.717 -12.295 -16.387 1.00 0.00 C ATOM 1155 CE1 HIS 1 83 -8.377 -12.170 -14.302 1.00 0.00 C ATOM 1156 NE2 HIS 1 83 -7.905 -12.991 -15.219 1.00 0.00 N ATOM 1157 OXT HIS 1 83 -6.196 -7.499 -18.366 1.00 0.00 O ATOM 0 H HIS 1 83 -5.381 -9.040 -16.705 1.00 0.00 H new ATOM 0 HA HIS 1 83 -6.933 -10.579 -18.690 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 -8.128 -8.915 -16.444 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 -9.007 -9.829 -17.655 1.00 0.00 H new ATOM 0 HD1 HIS 1 83 -8.846 -10.141 -14.358 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -7.341 -12.694 -17.317 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -8.621 -12.434 -13.283 1.00 0.00 H new