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= -0.837 F(o=-12,f=-9.3) USER MOD Set 1.2: 1 83 HIS : no HE2:sc= -8.51 K(o=-9.3,f=-11!) USER MOD Set 2.1: 1 30 ASN :FLIP amide:sc= -2.19! C(o=-8.1!,f=-6!) USER MOD Set 2.2: 1 33 THR OG1 : rot -140:sc= -3.76! USER MOD Single : 1 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 8 LYS NZ :NH3+ -160:sc= -0.002 (180deg=-0.376) USER MOD Single : 1 12 GLN : amide:sc= -5.65! C(o=-5.7!,f=-14!) USER MOD Single : 1 20 SER OG : rot -0:sc= 0.895! USER MOD Single : 1 23 ASN : amide:sc= -3.52 K(o=-3.5,f=-7.4!) USER MOD Single : 1 25 GLN : amide:sc= -0.0683 K(o=-0.068,f=-0.6) USER MOD Single : 1 35 LYS NZ :NH3+ 167:sc= 1.16 (180deg=0.978) USER MOD Single : 1 37 THR OG1 : rot 118:sc= -4.47! USER MOD Single : 1 40 SER OG : rot 138:sc= 0.176 USER MOD Single : 1 41 GLN : amide:sc= -1.03 K(o=-1,f=-2.6) USER MOD Single : 1 43 ASN : amide:sc= -4.88 K(o=-4.9,f=-8.4!) USER MOD Single : 1 44 TYR OH : rot 111:sc= 0.021 USER MOD Single : 1 50 GLN : amide:sc= -1.65 K(o=-1.6,f=-2.8!) USER MOD Single : 1 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 55 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.0551) USER MOD Single : 1 58 THR OG1 : rot 77:sc= 0.985 USER MOD Single : 1 71 TYR OH : rot 139:sc= 0.101 USER MOD Single : 1 73 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 75 LYS NZ :NH3+ 150:sc= -0.103 (180deg=-0.714) USER MOD Single : 1 76 SER OG : rot 180:sc= -0.0989 USER MOD Single : 1 77 SER OG : rot 81:sc= 1.33 USER MOD Single : 1 82 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 42 N VAL 1 4 -1.410 17.815 12.213 1.00 0.00 N ATOM 43 CA VAL 1 4 -1.310 17.068 10.995 1.00 0.00 C ATOM 44 C VAL 1 4 -0.051 17.481 10.252 1.00 0.00 C ATOM 45 O VAL 1 4 -0.042 18.466 9.514 1.00 0.00 O ATOM 46 CB VAL 1 4 -2.547 17.282 10.095 1.00 0.00 C ATOM 47 CG1 VAL 1 4 -2.952 15.976 9.447 1.00 0.00 C ATOM 48 CG2 VAL 1 4 -3.719 17.861 10.877 1.00 0.00 C ATOM 0 HA VAL 1 4 -1.262 16.009 11.247 1.00 0.00 H new ATOM 0 HB VAL 1 4 -2.274 18.001 9.323 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 -3.825 16.139 8.815 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 -2.129 15.601 8.839 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 -3.194 15.246 10.220 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 -4.570 17.997 10.210 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 -3.994 17.177 11.680 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 -3.433 18.823 11.301 1.00 0.00 H new ATOM 58 N CYS 1 5 1.017 16.732 10.476 1.00 0.00 N ATOM 59 CA CYS 1 5 2.300 17.033 9.848 1.00 0.00 C ATOM 60 C CYS 1 5 2.202 16.816 8.343 1.00 0.00 C ATOM 61 O CYS 1 5 2.314 15.692 7.852 1.00 0.00 O ATOM 62 CB CYS 1 5 3.416 16.146 10.426 1.00 0.00 C ATOM 63 SG CYS 1 5 3.216 15.699 12.187 1.00 0.00 S ATOM 0 H CYS 1 5 1.024 15.914 11.085 1.00 0.00 H new ATOM 0 HA CYS 1 5 2.545 18.075 10.053 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 3.472 15.230 9.838 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 4.369 16.661 10.304 1.00 0.00 H new ATOM 68 N GLY 1 6 1.972 17.910 7.620 1.00 0.00 N ATOM 69 CA GLY 1 6 1.834 17.839 6.178 1.00 0.00 C ATOM 70 C GLY 1 6 0.391 17.617 5.756 1.00 0.00 C ATOM 71 O GLY 1 6 0.127 17.145 4.651 1.00 0.00 O ATOM 0 H GLY 1 6 1.879 18.847 8.011 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 2.204 18.762 5.732 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 2.453 17.028 5.794 1.00 0.00 H new ATOM 75 N ASN 1 7 -0.544 17.951 6.648 1.00 0.00 N ATOM 76 CA ASN 1 7 -1.971 17.778 6.378 1.00 0.00 C ATOM 77 C ASN 1 7 -2.292 16.307 6.162 1.00 0.00 C ATOM 78 O ASN 1 7 -1.540 15.593 5.499 1.00 0.00 O ATOM 79 CB ASN 1 7 -2.392 18.580 5.144 1.00 0.00 C ATOM 80 CG ASN 1 7 -2.871 19.975 5.495 1.00 0.00 C ATOM 81 OD1 ASN 1 7 -2.185 20.723 6.191 1.00 0.00 O ATOM 82 ND2 ASN 1 7 -4.056 20.332 5.013 1.00 0.00 N ATOM 0 H ASN 1 7 -0.336 18.344 7.566 1.00 0.00 H new ATOM 0 HA ASN 1 7 -2.525 18.146 7.242 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 -1.550 18.651 4.456 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 -3.187 18.047 4.622 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 -4.431 21.259 5.216 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 -4.591 19.680 4.440 1.00 0.00 H new ATOM 89 N LYS 1 8 -3.408 15.847 6.723 1.00 0.00 N ATOM 90 CA LYS 1 8 -3.798 14.450 6.580 1.00 0.00 C ATOM 91 C LYS 1 8 -3.760 14.052 5.112 1.00 0.00 C ATOM 92 O LYS 1 8 -4.480 14.615 4.287 1.00 0.00 O ATOM 93 CB LYS 1 8 -5.187 14.205 7.197 1.00 0.00 C ATOM 94 CG LYS 1 8 -6.350 14.297 6.217 1.00 0.00 C ATOM 95 CD LYS 1 8 -6.543 12.993 5.455 1.00 0.00 C ATOM 96 CE LYS 1 8 -7.092 13.241 4.060 1.00 0.00 C ATOM 97 NZ LYS 1 8 -8.216 14.218 4.070 1.00 0.00 N ATOM 0 H LYS 1 8 -4.051 16.415 7.275 1.00 0.00 H new ATOM 0 HA LYS 1 8 -3.089 13.824 7.122 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 -5.195 13.216 7.656 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 -5.346 14.929 7.996 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 -7.264 14.542 6.758 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 -6.169 15.108 5.512 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 -5.591 12.467 5.385 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 -7.225 12.346 6.006 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 -6.294 13.612 3.417 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 -7.434 12.299 3.632 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 -8.775 14.113 3.199 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 -8.824 14.040 4.895 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 -7.835 15.184 4.123 1.00 0.00 H new ATOM 111 N ILE 1 9 -2.897 13.100 4.777 1.00 0.00 N ATOM 112 CA ILE 1 9 -2.778 12.679 3.378 1.00 0.00 C ATOM 113 C ILE 1 9 -4.131 12.330 2.791 1.00 0.00 C ATOM 114 O ILE 1 9 -4.952 11.669 3.425 1.00 0.00 O ATOM 115 CB ILE 1 9 -1.828 11.487 3.160 1.00 0.00 C ATOM 116 CG1 ILE 1 9 -2.348 10.226 3.868 1.00 0.00 C ATOM 117 CG2 ILE 1 9 -0.423 11.853 3.596 1.00 0.00 C ATOM 118 CD1 ILE 1 9 -1.547 9.805 5.080 1.00 0.00 C ATOM 0 H ILE 1 9 -2.283 12.614 5.431 1.00 0.00 H new ATOM 0 HA ILE 1 9 -2.349 13.541 2.867 1.00 0.00 H new ATOM 0 HB ILE 1 9 -1.794 11.254 2.096 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 -3.380 10.397 4.173 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 -2.359 9.403 3.153 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 0.240 11.003 3.437 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 -0.070 12.702 3.011 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 -0.427 12.117 4.653 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 -1.988 8.907 5.513 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 -0.519 9.597 4.783 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 -1.556 10.607 5.819 1.00 0.00 H new ATOM 130 N LEU 1 10 -4.352 12.782 1.571 1.00 0.00 N ATOM 131 CA LEU 1 10 -5.601 12.524 0.882 1.00 0.00 C ATOM 132 C LEU 1 10 -5.430 11.438 -0.172 1.00 0.00 C ATOM 133 O LEU 1 10 -6.314 11.214 -0.999 1.00 0.00 O ATOM 134 CB LEU 1 10 -6.123 13.817 0.248 1.00 0.00 C ATOM 135 CG LEU 1 10 -5.104 14.619 -0.577 1.00 0.00 C ATOM 136 CD1 LEU 1 10 -4.255 15.502 0.327 1.00 0.00 C ATOM 137 CD2 LEU 1 10 -4.220 13.703 -1.414 1.00 0.00 C ATOM 0 H LEU 1 10 -3.680 13.332 1.036 1.00 0.00 H new ATOM 0 HA LEU 1 10 -6.331 12.168 1.609 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 -6.967 13.568 -0.395 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 -6.505 14.459 1.041 1.00 0.00 H new ATOM 0 HG LEU 1 10 -5.663 15.258 -1.261 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 -3.540 16.061 -0.277 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 -4.899 16.198 0.864 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 -3.717 14.880 1.042 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 -3.511 14.303 -1.985 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 -3.675 13.024 -0.758 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 -4.840 13.125 -2.099 1.00 0.00 H new ATOM 149 N GLU 1 11 -4.282 10.769 -0.132 1.00 0.00 N ATOM 150 CA GLU 1 11 -3.978 9.704 -1.084 1.00 0.00 C ATOM 151 C GLU 1 11 -2.572 9.138 -0.881 1.00 0.00 C ATOM 152 O GLU 1 11 -1.907 8.771 -1.851 1.00 0.00 O ATOM 153 CB GLU 1 11 -4.093 10.236 -2.512 1.00 0.00 C ATOM 154 CG GLU 1 11 -3.013 11.248 -2.864 1.00 0.00 C ATOM 155 CD GLU 1 11 -2.097 10.767 -3.973 1.00 0.00 C ATOM 156 OE1 GLU 1 11 -2.040 9.542 -4.208 1.00 0.00 O ATOM 157 OE2 GLU 1 11 -1.436 11.617 -4.606 1.00 0.00 O ATOM 0 H GLU 1 11 -3.545 10.945 0.551 1.00 0.00 H new ATOM 0 HA GLU 1 11 -4.698 8.903 -0.914 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 -4.040 9.400 -3.210 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 -5.071 10.698 -2.643 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 -3.483 12.184 -3.167 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 -2.419 11.463 -1.976 1.00 0.00 H new ATOM 164 N GLN 1 12 -2.110 9.068 0.363 1.00 0.00 N ATOM 165 CA GLN 1 12 -0.773 8.547 0.628 1.00 0.00 C ATOM 166 C GLN 1 12 -0.795 7.403 1.645 1.00 0.00 C ATOM 167 O GLN 1 12 -0.872 6.234 1.269 1.00 0.00 O ATOM 168 CB GLN 1 12 0.156 9.671 1.104 1.00 0.00 C ATOM 169 CG GLN 1 12 0.060 10.947 0.280 1.00 0.00 C ATOM 170 CD GLN 1 12 0.470 10.750 -1.167 1.00 0.00 C ATOM 171 OE1 GLN 1 12 0.398 9.645 -1.702 1.00 0.00 O ATOM 172 NE2 GLN 1 12 0.905 11.828 -1.810 1.00 0.00 N ATOM 0 H GLN 1 12 -2.630 9.360 1.191 1.00 0.00 H new ATOM 0 HA GLN 1 12 -0.389 8.143 -0.309 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 -0.076 9.904 2.143 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 1.185 9.312 1.080 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 -0.964 11.319 0.314 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 0.692 11.712 0.730 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 0.949 12.726 -1.328 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 1.195 11.758 -2.785 1.00 0.00 H new ATOM 181 N GLY 1 13 -0.702 7.739 2.928 1.00 0.00 N ATOM 182 CA GLY 1 13 -0.687 6.720 3.962 1.00 0.00 C ATOM 183 C GLY 1 13 0.658 6.020 4.033 1.00 0.00 C ATOM 184 O GLY 1 13 0.750 4.879 4.482 1.00 0.00 O ATOM 0 H GLY 1 13 -0.637 8.698 3.270 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 -0.913 7.175 4.926 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 -1.470 5.988 3.764 1.00 0.00 H new ATOM 188 N GLU 1 14 1.694 6.724 3.568 1.00 0.00 N ATOM 189 CA GLU 1 14 3.072 6.218 3.537 1.00 0.00 C ATOM 190 C GLU 1 14 3.845 6.893 2.413 1.00 0.00 C ATOM 191 O GLU 1 14 5.075 6.944 2.434 1.00 0.00 O ATOM 192 CB GLU 1 14 3.114 4.698 3.344 1.00 0.00 C ATOM 193 CG GLU 1 14 3.288 3.918 4.637 1.00 0.00 C ATOM 194 CD GLU 1 14 2.897 2.460 4.494 1.00 0.00 C ATOM 195 OE1 GLU 1 14 1.685 2.179 4.382 1.00 0.00 O ATOM 196 OE2 GLU 1 14 3.802 1.600 4.493 1.00 0.00 O ATOM 0 H GLU 1 14 1.600 7.670 3.199 1.00 0.00 H new ATOM 0 HA GLU 1 14 3.531 6.450 4.498 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 2.192 4.377 2.859 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 3.933 4.450 2.668 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 4.327 3.982 4.959 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 2.683 4.378 5.419 1.00 0.00 H new ATOM 203 N ASP 1 15 3.115 7.416 1.432 1.00 0.00 N ATOM 204 CA ASP 1 15 3.732 8.092 0.305 1.00 0.00 C ATOM 205 C ASP 1 15 4.492 9.325 0.772 1.00 0.00 C ATOM 206 O ASP 1 15 5.674 9.488 0.471 1.00 0.00 O ATOM 207 CB ASP 1 15 2.666 8.489 -0.719 1.00 0.00 C ATOM 208 CG ASP 1 15 2.978 7.972 -2.109 1.00 0.00 C ATOM 209 OD1 ASP 1 15 2.857 6.749 -2.329 1.00 0.00 O ATOM 210 OD2 ASP 1 15 3.343 8.791 -2.979 1.00 0.00 O ATOM 0 H ASP 1 15 2.096 7.382 1.399 1.00 0.00 H new ATOM 0 HA ASP 1 15 4.438 7.407 -0.165 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 1.698 8.103 -0.400 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 2.582 9.575 -0.749 1.00 0.00 H new ATOM 215 N CYS 1 16 3.802 10.192 1.511 1.00 0.00 N ATOM 216 CA CYS 1 16 4.405 11.417 2.025 1.00 0.00 C ATOM 217 C CYS 1 16 3.329 12.362 2.567 1.00 0.00 C ATOM 218 O CYS 1 16 2.152 12.240 2.232 1.00 0.00 O ATOM 219 CB CYS 1 16 5.231 12.096 0.919 1.00 0.00 C ATOM 220 SG CYS 1 16 5.378 13.912 1.057 1.00 0.00 S ATOM 0 H CYS 1 16 2.823 10.067 1.767 1.00 0.00 H new ATOM 0 HA CYS 1 16 5.071 11.165 2.850 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 6.233 11.666 0.920 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 4.783 11.857 -0.045 1.00 0.00 H new ATOM 225 N ASP 1 17 3.749 13.301 3.406 1.00 0.00 N ATOM 226 CA ASP 1 17 2.842 14.272 4.001 1.00 0.00 C ATOM 227 C ASP 1 17 1.753 13.573 4.802 1.00 0.00 C ATOM 228 O ASP 1 17 0.617 14.044 4.850 1.00 0.00 O ATOM 229 CB ASP 1 17 2.213 15.146 2.915 1.00 0.00 C ATOM 230 CG ASP 1 17 3.153 16.232 2.431 1.00 0.00 C ATOM 231 OD1 ASP 1 17 4.038 16.643 3.211 1.00 0.00 O ATOM 232 OD2 ASP 1 17 3.005 16.672 1.271 1.00 0.00 O ATOM 0 H ASP 1 17 4.722 13.410 3.691 1.00 0.00 H new ATOM 0 HA ASP 1 17 3.417 14.905 4.677 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 1.921 14.520 2.072 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 1.303 15.603 3.302 1.00 0.00 H new ATOM 237 N CYS 1 18 2.110 12.445 5.425 1.00 0.00 N ATOM 238 CA CYS 1 18 1.165 11.661 6.224 1.00 0.00 C ATOM 239 C CYS 1 18 0.148 12.547 6.925 1.00 0.00 C ATOM 240 O CYS 1 18 -1.030 12.208 7.000 1.00 0.00 O ATOM 241 CB CYS 1 18 1.896 10.806 7.259 1.00 0.00 C ATOM 242 SG CYS 1 18 1.467 9.041 7.179 1.00 0.00 S ATOM 0 H CYS 1 18 3.051 12.054 5.390 1.00 0.00 H new ATOM 0 HA CYS 1 18 0.634 11.008 5.531 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 2.971 10.917 7.116 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 1.667 11.182 8.256 1.00 0.00 H new ATOM 247 N GLY 1 19 0.608 13.681 7.437 1.00 0.00 N ATOM 248 CA GLY 1 19 -0.288 14.580 8.126 1.00 0.00 C ATOM 249 C GLY 1 19 -0.863 13.953 9.367 1.00 0.00 C ATOM 250 O GLY 1 19 -0.528 14.354 10.477 1.00 0.00 O ATOM 0 H GLY 1 19 1.579 13.990 7.387 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 0.246 15.492 8.393 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 -1.098 14.870 7.457 1.00 0.00 H new ATOM 254 N SER 1 20 -1.727 12.960 9.184 1.00 0.00 N ATOM 255 CA SER 1 20 -2.347 12.289 10.311 1.00 0.00 C ATOM 256 C SER 1 20 -1.283 11.860 11.311 1.00 0.00 C ATOM 257 O SER 1 20 -0.552 10.894 11.098 1.00 0.00 O ATOM 258 CB SER 1 20 -3.161 11.091 9.844 1.00 0.00 C ATOM 259 OG SER 1 20 -2.329 9.978 9.566 1.00 0.00 O ATOM 0 H SER 1 20 -2.010 12.607 8.270 1.00 0.00 H new ATOM 0 HA SER 1 20 -3.027 12.986 10.801 1.00 0.00 H new ATOM 0 HB2 SER 1 20 -3.888 10.822 10.611 1.00 0.00 H new ATOM 0 HB3 SER 1 20 -3.725 11.358 8.950 1.00 0.00 H new ATOM 0 HG SER 1 20 -1.393 10.221 9.727 1.00 0.00 H new ATOM 265 N PRO 1 21 -1.181 12.616 12.411 1.00 0.00 N ATOM 266 CA PRO 1 21 -0.197 12.377 13.468 1.00 0.00 C ATOM 267 C PRO 1 21 -0.100 10.914 13.873 1.00 0.00 C ATOM 268 O PRO 1 21 0.943 10.465 14.349 1.00 0.00 O ATOM 269 CB PRO 1 21 -0.716 13.235 14.618 1.00 0.00 C ATOM 270 CG PRO 1 21 -1.409 14.370 13.944 1.00 0.00 C ATOM 271 CD PRO 1 21 -2.020 13.793 12.694 1.00 0.00 C ATOM 0 HA PRO 1 21 0.815 12.629 13.150 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 -1.399 12.674 15.257 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 0.098 13.586 15.252 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 -2.174 14.801 14.590 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 -0.708 15.169 13.704 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 -3.062 13.515 12.849 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 -2.000 14.507 11.871 1.00 0.00 H new ATOM 279 N ALA 1 22 -1.177 10.163 13.665 1.00 0.00 N ATOM 280 CA ALA 1 22 -1.179 8.744 13.997 1.00 0.00 C ATOM 281 C ALA 1 22 0.036 8.054 13.382 1.00 0.00 C ATOM 282 O ALA 1 22 0.493 7.020 13.870 1.00 0.00 O ATOM 283 CB ALA 1 22 -2.465 8.089 13.515 1.00 0.00 C ATOM 0 H ALA 1 22 -2.052 10.510 13.272 1.00 0.00 H new ATOM 0 HA ALA 1 22 -1.124 8.640 15.081 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 -2.451 7.029 13.770 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 -3.319 8.567 13.995 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 -2.547 8.201 12.434 1.00 0.00 H new ATOM 289 N ASN 1 23 0.555 8.643 12.305 1.00 0.00 N ATOM 290 CA ASN 1 23 1.717 8.102 11.614 1.00 0.00 C ATOM 291 C ASN 1 23 2.926 9.028 11.760 1.00 0.00 C ATOM 292 O ASN 1 23 4.069 8.584 11.654 1.00 0.00 O ATOM 293 CB ASN 1 23 1.398 7.897 10.134 1.00 0.00 C ATOM 294 CG ASN 1 23 0.557 6.659 9.886 1.00 0.00 C ATOM 295 OD1 ASN 1 23 0.978 5.737 9.188 1.00 0.00 O ATOM 296 ND2 ASN 1 23 -0.643 6.634 10.456 1.00 0.00 N ATOM 0 H ASN 1 23 0.184 9.499 11.893 1.00 0.00 H new ATOM 0 HA ASN 1 23 1.964 7.142 12.068 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 0.871 8.772 9.755 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 2.329 7.818 9.573 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 -1.254 5.829 10.322 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 -0.953 7.420 11.027 1.00 0.00 H new ATOM 303 N CYS 1 24 2.671 10.316 12.002 1.00 0.00 N ATOM 304 CA CYS 1 24 3.746 11.297 12.159 1.00 0.00 C ATOM 305 C CYS 1 24 4.749 10.841 13.214 1.00 0.00 C ATOM 306 O CYS 1 24 4.592 11.128 14.401 1.00 0.00 O ATOM 307 CB CYS 1 24 3.173 12.669 12.537 1.00 0.00 C ATOM 308 SG CYS 1 24 4.373 14.042 12.419 1.00 0.00 S ATOM 0 H CYS 1 24 1.732 10.703 12.093 1.00 0.00 H new ATOM 0 HA CYS 1 24 4.264 11.383 11.204 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 2.324 12.887 11.889 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 2.791 12.622 13.557 1.00 0.00 H new ATOM 313 N GLN 1 25 5.780 10.128 12.770 1.00 0.00 N ATOM 314 CA GLN 1 25 6.813 9.627 13.670 1.00 0.00 C ATOM 315 C GLN 1 25 6.238 8.599 14.640 1.00 0.00 C ATOM 316 O GLN 1 25 6.189 8.829 15.849 1.00 0.00 O ATOM 317 CB GLN 1 25 7.451 10.783 14.446 1.00 0.00 C ATOM 318 CG GLN 1 25 7.723 12.013 13.592 1.00 0.00 C ATOM 319 CD GLN 1 25 9.190 12.396 13.570 1.00 0.00 C ATOM 320 OE1 GLN 1 25 10.069 11.536 13.616 1.00 0.00 O ATOM 321 NE2 GLN 1 25 9.461 13.695 13.501 1.00 0.00 N ATOM 0 H GLN 1 25 5.922 9.884 11.790 1.00 0.00 H new ATOM 0 HA GLN 1 25 7.580 9.140 13.067 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 6.795 11.061 15.271 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 8.388 10.441 14.885 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 7.385 11.825 12.573 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 7.138 12.851 13.972 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 8.700 14.373 13.465 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 10.430 14.014 13.484 1.00 0.00 H new ATOM 330 N ASP 1 26 5.803 7.463 14.102 1.00 0.00 N ATOM 331 CA ASP 1 26 5.232 6.399 14.921 1.00 0.00 C ATOM 332 C ASP 1 26 4.885 5.178 14.070 1.00 0.00 C ATOM 333 O ASP 1 26 5.612 4.185 14.069 1.00 0.00 O ATOM 334 CB ASP 1 26 3.983 6.902 15.648 1.00 0.00 C ATOM 335 CG ASP 1 26 4.271 7.305 17.081 1.00 0.00 C ATOM 336 OD1 ASP 1 26 4.546 6.408 17.906 1.00 0.00 O ATOM 337 OD2 ASP 1 26 4.223 8.517 17.378 1.00 0.00 O ATOM 0 H ASP 1 26 5.835 7.256 13.104 1.00 0.00 H new ATOM 0 HA ASP 1 26 5.979 6.102 15.658 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 3.571 7.755 15.109 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 3.222 6.122 15.639 1.00 0.00 H new ATOM 342 N ARG 1 27 3.770 5.260 13.351 1.00 0.00 N ATOM 343 CA ARG 1 27 3.325 4.162 12.499 1.00 0.00 C ATOM 344 C ARG 1 27 4.368 3.845 11.426 1.00 0.00 C ATOM 345 O ARG 1 27 5.546 4.170 11.581 1.00 0.00 O ATOM 346 CB ARG 1 27 1.982 4.511 11.851 1.00 0.00 C ATOM 347 CG ARG 1 27 1.035 3.327 11.737 1.00 0.00 C ATOM 348 CD ARG 1 27 0.150 3.202 12.967 1.00 0.00 C ATOM 349 NE ARG 1 27 0.856 2.588 14.089 1.00 0.00 N ATOM 350 CZ ARG 1 27 1.115 1.285 14.179 1.00 0.00 C ATOM 351 NH1 ARG 1 27 0.730 0.457 13.216 1.00 0.00 N ATOM 352 NH2 ARG 1 27 1.762 0.809 15.234 1.00 0.00 N ATOM 0 H ARG 1 27 3.158 6.076 13.341 1.00 0.00 H new ATOM 0 HA ARG 1 27 3.199 3.275 13.120 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 1.500 5.296 12.434 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 2.163 4.918 10.856 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 0.413 3.442 10.850 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 1.610 2.411 11.607 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 -0.206 4.190 13.259 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 -0.729 2.606 12.722 1.00 0.00 H new ATOM 0 HE ARG 1 27 1.169 3.193 14.848 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 0.233 0.818 12.402 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 0.931 -0.540 13.290 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 2.061 1.441 15.977 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 1.960 -0.189 15.303 1.00 0.00 H new ATOM 366 N CYS 1 28 3.932 3.205 10.342 1.00 0.00 N ATOM 367 CA CYS 1 28 4.832 2.840 9.253 1.00 0.00 C ATOM 368 C CYS 1 28 4.861 3.919 8.170 1.00 0.00 C ATOM 369 O CYS 1 28 5.013 3.615 6.987 1.00 0.00 O ATOM 370 CB CYS 1 28 4.398 1.505 8.642 1.00 0.00 C ATOM 371 SG CYS 1 28 5.774 0.471 8.039 1.00 0.00 S ATOM 0 H CYS 1 28 2.961 2.929 10.196 1.00 0.00 H new ATOM 0 HA CYS 1 28 5.837 2.744 9.665 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 3.837 0.943 9.388 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 3.718 1.702 7.814 1.00 0.00 H new ATOM 376 N CYS 1 29 4.715 5.175 8.577 1.00 0.00 N ATOM 377 CA CYS 1 29 4.721 6.289 7.634 1.00 0.00 C ATOM 378 C CYS 1 29 5.411 7.509 8.234 1.00 0.00 C ATOM 379 O CYS 1 29 5.510 7.647 9.454 1.00 0.00 O ATOM 380 CB CYS 1 29 3.285 6.628 7.223 1.00 0.00 C ATOM 381 SG CYS 1 29 3.098 8.199 6.322 1.00 0.00 S ATOM 0 H CYS 1 29 4.591 5.448 9.552 1.00 0.00 H new ATOM 0 HA CYS 1 29 5.283 5.992 6.748 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 2.900 5.820 6.600 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 2.665 6.663 8.119 1.00 0.00 H new ATOM 386 N ASN 1 30 5.892 8.385 7.361 1.00 0.00 N ATOM 387 CA ASN 1 30 6.583 9.592 7.783 1.00 0.00 C ATOM 388 C ASN 1 30 5.782 10.835 7.452 1.00 0.00 C ATOM 389 O ASN 1 30 5.837 11.355 6.338 1.00 0.00 O ATOM 390 CB ASN 1 30 7.954 9.671 7.124 1.00 0.00 C ATOM 391 CG ASN 1 30 8.966 8.760 7.788 1.00 0.00 C ATOM 392 OD1 ASN 1 30 9.072 8.859 9.107 1.00 0.00 O flip ATOM 393 ND2 ASN 1 30 9.644 7.975 7.124 1.00 0.00 N flip ATOM 0 H ASN 1 30 5.814 8.279 6.350 1.00 0.00 H new ATOM 0 HA ASN 1 30 6.703 9.544 8.865 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 7.864 9.404 6.071 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 8.314 10.699 7.162 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 9.529 7.932 6.111 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 10.320 7.367 7.587 1.00 0.00 H new ATOM 400 N ALA 1 31 5.073 11.325 8.451 1.00 0.00 N ATOM 401 CA ALA 1 31 4.286 12.539 8.307 1.00 0.00 C ATOM 402 C ALA 1 31 5.200 13.742 8.451 1.00 0.00 C ATOM 403 O ALA 1 31 4.910 14.831 7.955 1.00 0.00 O ATOM 404 CB ALA 1 31 3.169 12.585 9.339 1.00 0.00 C ATOM 0 H ALA 1 31 5.025 10.900 9.377 1.00 0.00 H new ATOM 0 HA ALA 1 31 3.823 12.553 7.320 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 2.594 13.502 9.212 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 2.514 11.724 9.205 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 3.598 12.562 10.341 1.00 0.00 H new ATOM 410 N ALA 1 32 6.320 13.517 9.129 1.00 0.00 N ATOM 411 CA ALA 1 32 7.311 14.557 9.343 1.00 0.00 C ATOM 412 C ALA 1 32 8.501 14.367 8.410 1.00 0.00 C ATOM 413 O ALA 1 32 9.386 15.219 8.334 1.00 0.00 O ATOM 414 CB ALA 1 32 7.767 14.547 10.792 1.00 0.00 C ATOM 0 H ALA 1 32 6.562 12.616 9.541 1.00 0.00 H new ATOM 0 HA ALA 1 32 6.857 15.523 9.122 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 8.510 15.330 10.945 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 6.912 14.726 11.444 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 8.207 13.578 11.028 1.00 0.00 H new ATOM 420 N THR 1 33 8.524 13.233 7.712 1.00 0.00 N ATOM 421 CA THR 1 33 9.613 12.920 6.800 1.00 0.00 C ATOM 422 C THR 1 33 9.126 12.788 5.359 1.00 0.00 C ATOM 423 O THR 1 33 9.896 12.437 4.464 1.00 0.00 O ATOM 424 CB THR 1 33 10.311 11.642 7.258 1.00 0.00 C ATOM 425 OG1 THR 1 33 9.791 11.208 8.502 1.00 0.00 O ATOM 426 CG2 THR 1 33 11.790 11.809 7.437 1.00 0.00 C ATOM 0 H THR 1 33 7.799 12.518 7.763 1.00 0.00 H new ATOM 0 HA THR 1 33 10.324 13.746 6.820 1.00 0.00 H new ATOM 0 HB THR 1 33 10.127 10.914 6.468 1.00 0.00 H new ATOM 0 HG1 THR 1 33 10.522 10.879 9.066 1.00 0.00 H new ATOM 0 HG21 THR 1 33 12.226 10.865 7.763 1.00 0.00 H new ATOM 0 HG22 THR 1 33 12.240 12.108 6.490 1.00 0.00 H new ATOM 0 HG23 THR 1 33 11.981 12.576 8.188 1.00 0.00 H new ATOM 434 N CYS 1 34 7.852 13.095 5.137 1.00 0.00 N ATOM 435 CA CYS 1 34 7.264 13.039 3.803 1.00 0.00 C ATOM 436 C CYS 1 34 7.647 11.756 3.060 1.00 0.00 C ATOM 437 O CYS 1 34 8.158 11.800 1.943 1.00 0.00 O ATOM 438 CB CYS 1 34 7.680 14.291 3.011 1.00 0.00 C ATOM 439 SG CYS 1 34 7.374 14.231 1.210 1.00 0.00 S ATOM 0 H CYS 1 34 7.204 13.387 5.868 1.00 0.00 H new ATOM 0 HA CYS 1 34 6.179 13.022 3.904 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 7.150 15.150 3.422 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 8.744 14.464 3.174 1.00 0.00 H new ATOM 444 N LYS 1 35 7.394 10.606 3.678 1.00 0.00 N ATOM 445 CA LYS 1 35 7.710 9.334 3.037 1.00 0.00 C ATOM 446 C LYS 1 35 7.266 8.148 3.877 1.00 0.00 C ATOM 447 O LYS 1 35 6.719 8.303 4.966 1.00 0.00 O ATOM 448 CB LYS 1 35 9.210 9.229 2.775 1.00 0.00 C ATOM 449 CG LYS 1 35 9.553 8.707 1.389 1.00 0.00 C ATOM 450 CD LYS 1 35 9.765 9.842 0.398 1.00 0.00 C ATOM 451 CE LYS 1 35 10.922 10.738 0.813 1.00 0.00 C ATOM 452 NZ LYS 1 35 10.511 12.165 0.913 1.00 0.00 N ATOM 0 H LYS 1 35 6.978 10.528 4.606 1.00 0.00 H new ATOM 0 HA LYS 1 35 7.165 9.308 2.093 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 9.662 10.212 2.906 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 9.655 8.571 3.522 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 10.455 8.097 1.442 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 8.751 8.060 1.035 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 9.960 9.430 -0.592 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 8.854 10.435 0.322 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 11.313 10.405 1.774 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 11.732 10.643 0.090 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 11.252 12.706 1.403 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 10.373 12.554 -0.041 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 9.621 12.233 1.447 1.00 0.00 H new ATOM 466 N LEU 1 36 7.528 6.957 3.360 1.00 0.00 N ATOM 467 CA LEU 1 36 7.189 5.728 4.062 1.00 0.00 C ATOM 468 C LEU 1 36 8.319 5.370 5.021 1.00 0.00 C ATOM 469 O LEU 1 36 9.480 5.685 4.762 1.00 0.00 O ATOM 470 CB LEU 1 36 6.956 4.589 3.070 1.00 0.00 C ATOM 471 CG LEU 1 36 8.075 4.388 2.046 1.00 0.00 C ATOM 472 CD1 LEU 1 36 8.518 2.933 2.018 1.00 0.00 C ATOM 473 CD2 LEU 1 36 7.621 4.838 0.665 1.00 0.00 C ATOM 0 H LEU 1 36 7.975 6.815 2.454 1.00 0.00 H new ATOM 0 HA LEU 1 36 6.268 5.880 4.625 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 6.823 3.662 3.628 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 6.024 4.776 2.536 1.00 0.00 H new ATOM 0 HG LEU 1 36 8.928 4.999 2.342 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 9.314 2.809 1.284 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 8.885 2.645 3.003 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 7.673 2.300 1.747 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 8.429 4.688 -0.051 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 6.753 4.254 0.359 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 7.355 5.895 0.696 1.00 0.00 H new ATOM 485 N THR 1 37 7.982 4.733 6.134 1.00 0.00 N ATOM 486 CA THR 1 37 8.989 4.369 7.124 1.00 0.00 C ATOM 487 C THR 1 37 9.929 3.285 6.612 1.00 0.00 C ATOM 488 O THR 1 37 9.559 2.467 5.769 1.00 0.00 O ATOM 489 CB THR 1 37 8.329 3.898 8.413 1.00 0.00 C ATOM 490 OG1 THR 1 37 7.330 2.935 8.139 1.00 0.00 O ATOM 491 CG2 THR 1 37 7.696 5.024 9.197 1.00 0.00 C ATOM 0 H THR 1 37 7.029 4.459 6.374 1.00 0.00 H new ATOM 0 HA THR 1 37 9.578 5.265 7.320 1.00 0.00 H new ATOM 0 HB THR 1 37 9.128 3.466 9.015 1.00 0.00 H new ATOM 0 HG1 THR 1 37 7.567 2.086 8.568 1.00 0.00 H new ATOM 0 HG21 THR 1 37 7.242 4.625 10.104 1.00 0.00 H new ATOM 0 HG22 THR 1 37 8.459 5.755 9.464 1.00 0.00 H new ATOM 0 HG23 THR 1 37 6.929 5.505 8.589 1.00 0.00 H new ATOM 499 N PRO 1 38 11.166 3.268 7.135 1.00 0.00 N ATOM 500 CA PRO 1 38 12.183 2.283 6.756 1.00 0.00 C ATOM 501 C PRO 1 38 11.646 0.855 6.749 1.00 0.00 C ATOM 502 O PRO 1 38 10.837 0.482 7.599 1.00 0.00 O ATOM 503 CB PRO 1 38 13.231 2.447 7.855 1.00 0.00 C ATOM 504 CG PRO 1 38 13.131 3.877 8.247 1.00 0.00 C ATOM 505 CD PRO 1 38 11.670 4.215 8.152 1.00 0.00 C ATOM 0 HA PRO 1 38 12.557 2.446 5.745 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 13.029 1.788 8.699 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 14.229 2.203 7.492 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 13.506 4.034 9.258 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 13.724 4.508 7.585 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 11.164 4.084 9.109 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 11.516 5.250 7.849 1.00 0.00 H new ATOM 513 N GLY 1 39 12.106 0.059 5.789 1.00 0.00 N ATOM 514 CA GLY 1 39 11.666 -1.321 5.695 1.00 0.00 C ATOM 515 C GLY 1 39 10.457 -1.494 4.796 1.00 0.00 C ATOM 516 O GLY 1 39 10.369 -2.465 4.045 1.00 0.00 O ATOM 0 H GLY 1 39 12.776 0.345 5.075 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 12.485 -1.933 5.317 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 11.427 -1.690 6.692 1.00 0.00 H new ATOM 520 N SER 1 40 9.520 -0.554 4.875 1.00 0.00 N ATOM 521 CA SER 1 40 8.308 -0.610 4.065 1.00 0.00 C ATOM 522 C SER 1 40 8.642 -0.750 2.582 1.00 0.00 C ATOM 523 O SER 1 40 9.197 0.163 1.971 1.00 0.00 O ATOM 524 CB SER 1 40 7.460 0.642 4.293 1.00 0.00 C ATOM 525 OG SER 1 40 6.495 0.801 3.267 1.00 0.00 O ATOM 0 H SER 1 40 9.577 0.256 5.492 1.00 0.00 H new ATOM 0 HA SER 1 40 7.740 -1.488 4.372 1.00 0.00 H new ATOM 0 HB2 SER 1 40 6.960 0.575 5.259 1.00 0.00 H new ATOM 0 HB3 SER 1 40 8.105 1.520 4.328 1.00 0.00 H new ATOM 0 HG SER 1 40 5.639 1.070 3.662 1.00 0.00 H new ATOM 531 N GLN 1 41 8.296 -1.899 2.010 1.00 0.00 N ATOM 532 CA GLN 1 41 8.554 -2.159 0.598 1.00 0.00 C ATOM 533 C GLN 1 41 7.608 -1.349 -0.284 1.00 0.00 C ATOM 534 O GLN 1 41 7.911 -1.072 -1.444 1.00 0.00 O ATOM 535 CB GLN 1 41 8.397 -3.652 0.295 1.00 0.00 C ATOM 536 CG GLN 1 41 9.702 -4.338 -0.074 1.00 0.00 C ATOM 537 CD GLN 1 41 10.019 -4.230 -1.553 1.00 0.00 C ATOM 538 OE1 GLN 1 41 9.846 -5.187 -2.307 1.00 0.00 O ATOM 539 NE2 GLN 1 41 10.485 -3.061 -1.975 1.00 0.00 N ATOM 0 H GLN 1 41 7.836 -2.665 2.503 1.00 0.00 H new ATOM 0 HA GLN 1 41 9.578 -1.856 0.379 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 7.969 -4.148 1.166 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 7.687 -3.776 -0.523 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 10.516 -3.897 0.501 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 9.647 -5.390 0.206 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 10.613 -2.294 -1.314 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 10.715 -2.929 -2.960 1.00 0.00 H new ATOM 548 N CYS 1 42 6.460 -0.979 0.273 1.00 0.00 N ATOM 549 CA CYS 1 42 5.468 -0.209 -0.464 1.00 0.00 C ATOM 550 C CYS 1 42 4.670 0.687 0.478 1.00 0.00 C ATOM 551 O CYS 1 42 4.306 0.280 1.581 1.00 0.00 O ATOM 552 CB CYS 1 42 4.540 -1.162 -1.230 1.00 0.00 C ATOM 553 SG CYS 1 42 2.848 -0.539 -1.511 1.00 0.00 S ATOM 0 H CYS 1 42 6.195 -1.200 1.233 1.00 0.00 H new ATOM 0 HA CYS 1 42 5.979 0.435 -1.179 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 4.993 -1.386 -2.196 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 4.478 -2.102 -0.681 1.00 0.00 H new ATOM 558 N ASN 1 43 4.397 1.905 0.028 1.00 0.00 N ATOM 559 CA ASN 1 43 3.635 2.859 0.822 1.00 0.00 C ATOM 560 C ASN 1 43 2.152 2.512 0.791 1.00 0.00 C ATOM 561 O ASN 1 43 1.453 2.613 1.799 1.00 0.00 O ATOM 562 CB ASN 1 43 3.852 4.280 0.296 1.00 0.00 C ATOM 563 CG ASN 1 43 3.656 4.379 -1.205 1.00 0.00 C ATOM 564 OD1 ASN 1 43 2.566 4.130 -1.718 1.00 0.00 O ATOM 565 ND2 ASN 1 43 4.716 4.744 -1.917 1.00 0.00 N ATOM 0 H ASN 1 43 4.692 2.255 -0.883 1.00 0.00 H new ATOM 0 HA ASN 1 43 3.985 2.807 1.853 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 3.160 4.959 0.795 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 4.860 4.608 0.550 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 4.645 4.827 -2.931 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 5.601 4.941 -1.450 1.00 0.00 H new ATOM 572 N TYR 1 44 1.685 2.095 -0.378 1.00 0.00 N ATOM 573 CA TYR 1 44 0.289 1.721 -0.562 1.00 0.00 C ATOM 574 C TYR 1 44 0.081 1.132 -1.952 1.00 0.00 C ATOM 575 O TYR 1 44 0.953 1.235 -2.814 1.00 0.00 O ATOM 576 CB TYR 1 44 -0.626 2.933 -0.355 1.00 0.00 C ATOM 577 CG TYR 1 44 -0.530 3.965 -1.455 1.00 0.00 C ATOM 578 CD1 TYR 1 44 -1.051 3.712 -2.717 1.00 0.00 C ATOM 579 CD2 TYR 1 44 0.085 5.190 -1.232 1.00 0.00 C ATOM 580 CE1 TYR 1 44 -0.963 4.647 -3.726 1.00 0.00 C ATOM 581 CE2 TYR 1 44 0.177 6.134 -2.235 1.00 0.00 C ATOM 582 CZ TYR 1 44 -0.348 5.859 -3.482 1.00 0.00 C ATOM 583 OH TYR 1 44 -0.258 6.796 -4.485 1.00 0.00 O ATOM 0 H TYR 1 44 2.257 2.007 -1.218 1.00 0.00 H new ATOM 0 HA TYR 1 44 0.032 0.966 0.181 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 -1.658 2.589 -0.281 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 -0.379 3.405 0.596 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 -1.534 2.766 -2.911 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 0.498 5.408 -0.258 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 -1.373 4.433 -4.702 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 0.657 7.083 -2.045 1.00 0.00 H new ATOM 0 HH TYR 1 44 -0.838 7.557 -4.275 1.00 0.00 H new ATOM 593 N GLY 1 45 -1.076 0.520 -2.170 1.00 0.00 N ATOM 594 CA GLY 1 45 -1.362 -0.065 -3.464 1.00 0.00 C ATOM 595 C GLY 1 45 -2.045 -1.413 -3.363 1.00 0.00 C ATOM 596 O GLY 1 45 -2.377 -1.873 -2.270 1.00 0.00 O ATOM 0 H GLY 1 45 -1.818 0.419 -1.477 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -1.995 0.616 -4.033 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -0.432 -0.176 -4.021 1.00 0.00 H new ATOM 600 N GLU 1 46 -2.258 -2.042 -4.512 1.00 0.00 N ATOM 601 CA GLU 1 46 -2.913 -3.344 -4.569 1.00 0.00 C ATOM 602 C GLU 1 46 -2.109 -4.412 -3.833 1.00 0.00 C ATOM 603 O GLU 1 46 -2.675 -5.289 -3.181 1.00 0.00 O ATOM 604 CB GLU 1 46 -3.110 -3.765 -6.025 1.00 0.00 C ATOM 605 CG GLU 1 46 -4.322 -3.130 -6.685 1.00 0.00 C ATOM 606 CD GLU 1 46 -3.947 -2.030 -7.659 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -3.700 -0.893 -7.205 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -3.899 -2.306 -8.876 1.00 0.00 O ATOM 0 H GLU 1 46 -1.985 -1.670 -5.422 1.00 0.00 H new ATOM 0 HA GLU 1 46 -3.881 -3.250 -4.076 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -2.218 -3.502 -6.594 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -3.209 -4.850 -6.070 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -4.889 -3.898 -7.211 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -4.977 -2.721 -5.916 1.00 0.00 H new ATOM 615 N CYS 1 47 -0.789 -4.344 -3.957 1.00 0.00 N ATOM 616 CA CYS 1 47 0.090 -5.320 -3.320 1.00 0.00 C ATOM 617 C CYS 1 47 0.703 -4.779 -2.035 1.00 0.00 C ATOM 618 O CYS 1 47 1.774 -5.220 -1.626 1.00 0.00 O ATOM 619 CB CYS 1 47 1.209 -5.716 -4.281 1.00 0.00 C ATOM 620 SG CYS 1 47 0.798 -7.116 -5.366 1.00 0.00 S ATOM 0 H CYS 1 47 -0.303 -3.624 -4.492 1.00 0.00 H new ATOM 0 HA CYS 1 47 -0.516 -6.190 -3.068 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 1.464 -4.855 -4.899 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 2.098 -5.968 -3.702 1.00 0.00 H new ATOM 625 N CYS 1 48 0.036 -3.825 -1.399 1.00 0.00 N ATOM 626 CA CYS 1 48 0.557 -3.248 -0.166 1.00 0.00 C ATOM 627 C CYS 1 48 -0.124 -3.841 1.062 1.00 0.00 C ATOM 628 O CYS 1 48 -1.343 -4.015 1.091 1.00 0.00 O ATOM 629 CB CYS 1 48 0.401 -1.729 -0.175 1.00 0.00 C ATOM 630 SG CYS 1 48 1.924 -0.839 0.272 1.00 0.00 S ATOM 0 H CYS 1 48 -0.855 -3.438 -1.711 1.00 0.00 H new ATOM 0 HA CYS 1 48 1.618 -3.494 -0.112 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 0.082 -1.411 -1.167 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 -0.391 -1.449 0.520 1.00 0.00 H new ATOM 635 N ASP 1 49 0.679 -4.147 2.076 1.00 0.00 N ATOM 636 CA ASP 1 49 0.171 -4.719 3.317 1.00 0.00 C ATOM 637 C ASP 1 49 1.072 -4.346 4.491 1.00 0.00 C ATOM 638 O ASP 1 49 2.155 -4.906 4.657 1.00 0.00 O ATOM 639 CB ASP 1 49 0.070 -6.241 3.199 1.00 0.00 C ATOM 640 CG ASP 1 49 -0.987 -6.823 4.117 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -1.137 -6.313 5.248 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -1.664 -7.789 3.706 1.00 0.00 O ATOM 0 H ASP 1 49 1.689 -4.007 2.062 1.00 0.00 H new ATOM 0 HA ASP 1 49 -0.823 -4.311 3.498 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -0.161 -6.508 2.168 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 1.037 -6.686 3.434 1.00 0.00 H new ATOM 647 N GLN 1 50 0.614 -3.395 5.299 1.00 0.00 N ATOM 648 CA GLN 1 50 1.370 -2.938 6.460 1.00 0.00 C ATOM 649 C GLN 1 50 2.666 -2.249 6.035 1.00 0.00 C ATOM 650 O GLN 1 50 2.736 -1.021 5.982 1.00 0.00 O ATOM 651 CB GLN 1 50 1.672 -4.110 7.400 1.00 0.00 C ATOM 652 CG GLN 1 50 2.485 -3.717 8.624 1.00 0.00 C ATOM 653 CD GLN 1 50 3.799 -4.468 8.720 1.00 0.00 C ATOM 654 OE1 GLN 1 50 3.984 -5.503 8.080 1.00 0.00 O ATOM 655 NE2 GLN 1 50 4.720 -3.948 9.523 1.00 0.00 N ATOM 0 H GLN 1 50 -0.281 -2.924 5.170 1.00 0.00 H new ATOM 0 HA GLN 1 50 0.759 -2.211 6.994 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 0.732 -4.554 7.726 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 2.212 -4.878 6.847 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 2.685 -2.646 8.594 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 1.897 -3.906 9.522 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 4.524 -3.088 10.035 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 5.624 -4.409 9.628 1.00 0.00 H new ATOM 664 N CYS 1 51 3.692 -3.043 5.735 1.00 0.00 N ATOM 665 CA CYS 1 51 4.983 -2.499 5.319 1.00 0.00 C ATOM 666 C CYS 1 51 5.725 -3.478 4.411 1.00 0.00 C ATOM 667 O CYS 1 51 6.953 -3.551 4.436 1.00 0.00 O ATOM 668 CB CYS 1 51 5.854 -2.173 6.539 1.00 0.00 C ATOM 669 SG CYS 1 51 4.962 -1.387 7.922 1.00 0.00 S ATOM 0 H CYS 1 51 3.655 -4.062 5.772 1.00 0.00 H new ATOM 0 HA CYS 1 51 4.788 -1.582 4.763 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 6.313 -3.094 6.897 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 6.664 -1.514 6.225 1.00 0.00 H new ATOM 674 N ARG 1 52 4.975 -4.230 3.610 1.00 0.00 N ATOM 675 CA ARG 1 52 5.573 -5.202 2.699 1.00 0.00 C ATOM 676 C ARG 1 52 4.598 -5.581 1.589 1.00 0.00 C ATOM 677 O ARG 1 52 3.396 -5.339 1.696 1.00 0.00 O ATOM 678 CB ARG 1 52 6.002 -6.454 3.466 1.00 0.00 C ATOM 679 CG ARG 1 52 7.290 -7.073 2.949 1.00 0.00 C ATOM 680 CD ARG 1 52 8.491 -6.623 3.766 1.00 0.00 C ATOM 681 NE ARG 1 52 9.718 -6.609 2.973 1.00 0.00 N ATOM 682 CZ ARG 1 52 10.941 -6.599 3.500 1.00 0.00 C ATOM 683 NH1 ARG 1 52 11.104 -6.603 4.817 1.00 0.00 N ATOM 684 NH2 ARG 1 52 12.004 -6.587 2.707 1.00 0.00 N ATOM 0 H ARG 1 52 3.957 -4.186 3.573 1.00 0.00 H new ATOM 0 HA ARG 1 52 6.451 -4.743 2.245 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 6.128 -6.200 4.518 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 5.205 -7.195 3.410 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 7.212 -8.160 2.983 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 7.435 -6.796 1.905 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 8.305 -5.626 4.164 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 8.619 -7.288 4.620 1.00 0.00 H new ATOM 0 HE ARG 1 52 9.633 -6.607 1.957 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 10.290 -6.614 5.432 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 12.043 -6.595 5.215 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 11.885 -6.585 1.694 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 12.941 -6.579 3.110 1.00 0.00 H new ATOM 698 N PHE 1 53 5.122 -6.180 0.521 1.00 0.00 N ATOM 699 CA PHE 1 53 4.289 -6.591 -0.603 1.00 0.00 C ATOM 700 C PHE 1 53 3.454 -7.809 -0.239 1.00 0.00 C ATOM 701 O PHE 1 53 3.921 -8.707 0.461 1.00 0.00 O ATOM 702 CB PHE 1 53 5.146 -6.907 -1.832 1.00 0.00 C ATOM 703 CG PHE 1 53 5.640 -5.688 -2.554 1.00 0.00 C ATOM 704 CD1 PHE 1 53 4.803 -4.606 -2.764 1.00 0.00 C ATOM 705 CD2 PHE 1 53 6.942 -5.625 -3.024 1.00 0.00 C ATOM 706 CE1 PHE 1 53 5.252 -3.484 -3.428 1.00 0.00 C ATOM 707 CE2 PHE 1 53 7.398 -4.504 -3.690 1.00 0.00 C ATOM 708 CZ PHE 1 53 6.552 -3.431 -3.893 1.00 0.00 C ATOM 0 H PHE 1 53 6.114 -6.390 0.412 1.00 0.00 H new ATOM 0 HA PHE 1 53 3.623 -5.761 -0.840 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 6.002 -7.507 -1.522 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 4.563 -7.516 -2.523 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 3.786 -4.641 -2.403 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 7.607 -6.461 -2.868 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 4.588 -2.647 -3.585 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 8.415 -4.466 -4.052 1.00 0.00 H new ATOM 0 HZ PHE 1 53 6.906 -2.553 -4.414 1.00 0.00 H new ATOM 718 N LYS 1 54 2.219 -7.843 -0.726 1.00 0.00 N ATOM 719 CA LYS 1 54 1.332 -8.965 -0.454 1.00 0.00 C ATOM 720 C LYS 1 54 1.920 -10.248 -1.030 1.00 0.00 C ATOM 721 O LYS 1 54 1.846 -10.485 -2.232 1.00 0.00 O ATOM 722 CB LYS 1 54 -0.053 -8.708 -1.049 1.00 0.00 C ATOM 723 CG LYS 1 54 -0.942 -7.845 -0.169 1.00 0.00 C ATOM 724 CD LYS 1 54 -2.172 -7.359 -0.922 1.00 0.00 C ATOM 725 CE LYS 1 54 -3.436 -7.529 -0.094 1.00 0.00 C ATOM 726 NZ LYS 1 54 -4.662 -7.483 -0.937 1.00 0.00 N ATOM 0 H LYS 1 54 1.812 -7.111 -1.308 1.00 0.00 H new ATOM 0 HA LYS 1 54 1.231 -9.075 0.626 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 0.061 -8.226 -2.020 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -0.547 -9.664 -1.224 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -1.252 -8.415 0.706 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -0.374 -6.988 0.194 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -2.047 -6.309 -1.186 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -2.270 -7.912 -1.856 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -3.397 -8.480 0.438 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -3.484 -6.744 0.660 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -5.502 -7.603 -0.335 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -4.713 -6.566 -1.425 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -4.628 -8.248 -1.641 1.00 0.00 H new ATOM 740 N LYS 1 55 2.515 -11.066 -0.163 1.00 0.00 N ATOM 741 CA LYS 1 55 3.133 -12.328 -0.579 1.00 0.00 C ATOM 742 C LYS 1 55 2.416 -12.935 -1.780 1.00 0.00 C ATOM 743 O LYS 1 55 1.192 -13.096 -1.771 1.00 0.00 O ATOM 744 CB LYS 1 55 3.133 -13.323 0.583 1.00 0.00 C ATOM 745 CG LYS 1 55 3.870 -14.616 0.276 1.00 0.00 C ATOM 746 CD LYS 1 55 5.377 -14.423 0.325 1.00 0.00 C ATOM 747 CE LYS 1 55 6.091 -15.372 -0.624 1.00 0.00 C ATOM 748 NZ LYS 1 55 6.426 -14.716 -1.918 1.00 0.00 N ATOM 0 H LYS 1 55 2.583 -10.878 0.837 1.00 0.00 H new ATOM 0 HA LYS 1 55 4.160 -12.112 -0.874 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 3.590 -12.852 1.454 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 2.102 -13.557 0.851 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 3.577 -15.382 0.993 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 3.580 -14.976 -0.711 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 5.622 -13.393 0.064 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 5.733 -14.587 1.342 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 7.005 -15.736 -0.154 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 5.461 -16.241 -0.810 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 6.197 -15.359 -2.703 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 5.874 -13.840 -2.016 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 7.441 -14.490 -1.940 1.00 0.00 H new ATOM 762 N ALA 1 56 3.186 -13.261 -2.820 1.00 0.00 N ATOM 763 CA ALA 1 56 2.624 -13.842 -4.031 1.00 0.00 C ATOM 764 C ALA 1 56 1.539 -14.846 -3.692 1.00 0.00 C ATOM 765 O ALA 1 56 1.710 -15.689 -2.811 1.00 0.00 O ATOM 766 CB ALA 1 56 3.698 -14.507 -4.869 1.00 0.00 C ATOM 0 H ALA 1 56 4.197 -13.131 -2.844 1.00 0.00 H new ATOM 0 HA ALA 1 56 2.186 -13.031 -4.612 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 3.248 -14.932 -5.767 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 4.447 -13.768 -5.153 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 4.172 -15.300 -4.291 1.00 0.00 H new ATOM 772 N GLY 1 57 0.419 -14.733 -4.375 1.00 0.00 N ATOM 773 CA GLY 1 57 -0.691 -15.623 -4.109 1.00 0.00 C ATOM 774 C GLY 1 57 -1.857 -14.880 -3.498 1.00 0.00 C ATOM 775 O GLY 1 57 -2.968 -15.404 -3.423 1.00 0.00 O ATOM 0 H GLY 1 57 0.254 -14.044 -5.109 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -1.007 -16.101 -5.036 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -0.370 -16.417 -3.435 1.00 0.00 H new ATOM 779 N THR 1 58 -1.606 -13.642 -3.075 1.00 0.00 N ATOM 780 CA THR 1 58 -2.646 -12.810 -2.494 1.00 0.00 C ATOM 781 C THR 1 58 -3.506 -12.213 -3.601 1.00 0.00 C ATOM 782 O THR 1 58 -3.018 -11.435 -4.421 1.00 0.00 O ATOM 783 CB THR 1 58 -2.030 -11.689 -1.658 1.00 0.00 C ATOM 784 OG1 THR 1 58 -1.237 -12.218 -0.610 1.00 0.00 O ATOM 785 CG2 THR 1 58 -3.070 -10.785 -1.040 1.00 0.00 C ATOM 0 H THR 1 58 -0.689 -13.197 -3.126 1.00 0.00 H new ATOM 0 HA THR 1 58 -3.266 -13.429 -1.846 1.00 0.00 H new ATOM 0 HB THR 1 58 -1.420 -11.106 -2.348 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -0.378 -12.521 -0.971 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -2.576 -10.007 -0.458 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -3.666 -10.325 -1.828 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -3.719 -11.370 -0.388 1.00 0.00 H new ATOM 793 N VAL 1 59 -4.778 -12.587 -3.635 1.00 0.00 N ATOM 794 CA VAL 1 59 -5.679 -12.086 -4.663 1.00 0.00 C ATOM 795 C VAL 1 59 -6.071 -10.634 -4.409 1.00 0.00 C ATOM 796 O VAL 1 59 -6.702 -10.318 -3.400 1.00 0.00 O ATOM 797 CB VAL 1 59 -6.964 -12.935 -4.766 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -7.708 -12.941 -3.440 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -7.859 -12.423 -5.885 1.00 0.00 C ATOM 0 H VAL 1 59 -5.206 -13.230 -2.969 1.00 0.00 H new ATOM 0 HA VAL 1 59 -5.130 -12.153 -5.602 1.00 0.00 H new ATOM 0 HB VAL 1 59 -6.679 -13.960 -5.002 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -8.611 -13.545 -3.532 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -7.067 -13.362 -2.665 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -7.980 -11.920 -3.171 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -8.759 -13.035 -5.940 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -8.136 -11.388 -5.685 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -7.324 -12.478 -6.833 1.00 0.00 H new ATOM 809 N CYS 1 60 -5.707 -9.756 -5.339 1.00 0.00 N ATOM 810 CA CYS 1 60 -6.039 -8.339 -5.219 1.00 0.00 C ATOM 811 C CYS 1 60 -7.210 -7.971 -6.131 1.00 0.00 C ATOM 812 O CYS 1 60 -7.884 -6.964 -5.914 1.00 0.00 O ATOM 813 CB CYS 1 60 -4.834 -7.468 -5.569 1.00 0.00 C ATOM 814 SG CYS 1 60 -3.281 -7.979 -4.769 1.00 0.00 S ATOM 0 H CYS 1 60 -5.184 -9.999 -6.181 1.00 0.00 H new ATOM 0 HA CYS 1 60 -6.325 -8.157 -4.183 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -4.693 -7.481 -6.650 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -5.052 -6.438 -5.288 1.00 0.00 H new ATOM 819 N ARG 1 61 -7.439 -8.789 -7.155 1.00 0.00 N ATOM 820 CA ARG 1 61 -8.520 -8.549 -8.106 1.00 0.00 C ATOM 821 C ARG 1 61 -8.990 -9.868 -8.713 1.00 0.00 C ATOM 822 O ARG 1 61 -8.458 -10.932 -8.396 1.00 0.00 O ATOM 823 CB ARG 1 61 -8.041 -7.598 -9.216 1.00 0.00 C ATOM 824 CG ARG 1 61 -9.156 -6.792 -9.871 1.00 0.00 C ATOM 825 CD ARG 1 61 -8.620 -5.562 -10.594 1.00 0.00 C ATOM 826 NE ARG 1 61 -7.515 -5.884 -11.497 1.00 0.00 N ATOM 827 CZ ARG 1 61 -6.233 -5.641 -11.227 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -5.877 -5.069 -10.083 1.00 0.00 N ATOM 829 NH2 ARG 1 61 -5.300 -5.982 -12.106 1.00 0.00 N ATOM 0 H ARG 1 61 -6.889 -9.626 -7.347 1.00 0.00 H new ATOM 0 HA ARG 1 61 -9.356 -8.088 -7.580 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -7.307 -6.909 -8.797 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -7.530 -8.180 -9.983 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -9.693 -7.424 -10.579 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -9.874 -6.482 -9.112 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -9.426 -5.097 -11.162 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -8.284 -4.830 -9.860 1.00 0.00 H new ATOM 0 HE ARG 1 61 -7.740 -6.322 -12.390 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -6.588 -4.810 -9.399 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 -4.892 -4.888 -9.888 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 -5.565 -6.428 -12.984 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 -4.317 -5.798 -11.904 1.00 0.00 H new ATOM 843 N ILE 1 62 -9.978 -9.793 -9.593 1.00 0.00 N ATOM 844 CA ILE 1 62 -10.505 -10.976 -10.253 1.00 0.00 C ATOM 845 C ILE 1 62 -11.611 -10.591 -11.217 1.00 0.00 C ATOM 846 O ILE 1 62 -12.474 -9.770 -10.906 1.00 0.00 O ATOM 847 CB ILE 1 62 -11.010 -12.024 -9.240 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -11.042 -13.425 -9.861 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -12.373 -11.648 -8.678 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -11.959 -13.556 -11.055 1.00 0.00 C ATOM 0 H ILE 1 62 -10.432 -8.921 -9.866 1.00 0.00 H new ATOM 0 HA ILE 1 62 -9.688 -11.433 -10.812 1.00 0.00 H new ATOM 0 HB ILE 1 62 -10.304 -12.039 -8.410 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -10.031 -13.699 -10.162 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -11.352 -14.140 -9.099 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -12.696 -12.409 -7.968 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -12.305 -10.685 -8.172 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -13.096 -11.580 -9.491 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -11.921 -14.578 -11.432 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -12.980 -13.316 -10.758 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -11.638 -12.868 -11.837 1.00 0.00 H new ATOM 862 N ALA 1 63 -11.561 -11.183 -12.391 1.00 0.00 N ATOM 863 CA ALA 1 63 -12.543 -10.905 -13.428 1.00 0.00 C ATOM 864 C ALA 1 63 -13.941 -11.374 -13.003 1.00 0.00 C ATOM 865 O ALA 1 63 -14.575 -10.731 -12.166 1.00 0.00 O ATOM 866 CB ALA 1 63 -12.098 -11.507 -14.757 1.00 0.00 C ATOM 0 H ALA 1 63 -10.849 -11.864 -12.656 1.00 0.00 H new ATOM 0 HA ALA 1 63 -12.610 -9.827 -13.571 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -12.843 -11.290 -15.522 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -11.141 -11.075 -15.050 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -11.991 -12.586 -14.650 1.00 0.00 H new ATOM 872 N ARG 1 64 -14.430 -12.484 -13.560 1.00 0.00 N ATOM 873 CA ARG 1 64 -15.753 -12.984 -13.194 1.00 0.00 C ATOM 874 C ARG 1 64 -15.782 -14.508 -13.128 1.00 0.00 C ATOM 875 O ARG 1 64 -16.146 -15.172 -14.096 1.00 0.00 O ATOM 876 CB ARG 1 64 -16.798 -12.491 -14.193 1.00 0.00 C ATOM 877 CG ARG 1 64 -18.224 -12.861 -13.816 1.00 0.00 C ATOM 878 CD ARG 1 64 -18.677 -14.131 -14.520 1.00 0.00 C ATOM 879 NE ARG 1 64 -18.863 -15.238 -13.585 1.00 0.00 N ATOM 880 CZ ARG 1 64 -19.926 -15.371 -12.796 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -20.901 -14.471 -12.825 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -20.016 -16.409 -11.975 1.00 0.00 N ATOM 0 H ARG 1 64 -13.938 -13.045 -14.255 1.00 0.00 H new ATOM 0 HA ARG 1 64 -15.986 -12.599 -12.201 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -16.723 -11.407 -14.278 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -16.572 -12.905 -15.176 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -18.292 -12.998 -12.737 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -18.894 -12.041 -14.076 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -19.612 -13.940 -15.046 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -17.940 -14.412 -15.272 1.00 0.00 H new ATOM 0 HE ARG 1 64 -18.135 -15.951 -13.534 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -20.838 -13.671 -13.455 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -21.713 -14.579 -12.217 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -19.270 -17.105 -11.949 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -20.831 -16.511 -11.370 1.00 0.00 H new ATOM 896 N GLY 1 65 -15.416 -15.057 -11.979 1.00 0.00 N ATOM 897 CA GLY 1 65 -15.421 -16.498 -11.818 1.00 0.00 C ATOM 898 C GLY 1 65 -14.125 -17.020 -11.239 1.00 0.00 C ATOM 899 O GLY 1 65 -13.852 -16.850 -10.050 1.00 0.00 O ATOM 0 H GLY 1 65 -15.116 -14.533 -11.157 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -16.247 -16.785 -11.168 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -15.599 -16.968 -12.785 1.00 0.00 H new ATOM 903 N ASP 1 66 -13.323 -17.653 -12.084 1.00 0.00 N ATOM 904 CA ASP 1 66 -12.042 -18.201 -11.657 1.00 0.00 C ATOM 905 C ASP 1 66 -11.304 -18.844 -12.824 1.00 0.00 C ATOM 906 O ASP 1 66 -11.445 -20.039 -13.086 1.00 0.00 O ATOM 907 CB ASP 1 66 -12.242 -19.222 -10.535 1.00 0.00 C ATOM 908 CG ASP 1 66 -13.158 -20.359 -10.945 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -14.388 -20.147 -10.980 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -12.645 -21.461 -11.231 1.00 0.00 O ATOM 0 H ASP 1 66 -13.537 -17.800 -13.070 1.00 0.00 H new ATOM 0 HA ASP 1 66 -11.435 -17.377 -11.281 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -11.274 -19.627 -10.239 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -12.658 -18.721 -9.661 1.00 0.00 H new ATOM 915 N TRP 1 67 -10.514 -18.037 -13.518 1.00 0.00 N ATOM 916 CA TRP 1 67 -9.739 -18.505 -14.662 1.00 0.00 C ATOM 917 C TRP 1 67 -8.254 -18.283 -14.421 1.00 0.00 C ATOM 918 O TRP 1 67 -7.484 -19.226 -14.241 1.00 0.00 O ATOM 919 CB TRP 1 67 -10.167 -17.763 -15.935 1.00 0.00 C ATOM 920 CG TRP 1 67 -11.121 -16.634 -15.684 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -10.872 -15.463 -15.019 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -12.486 -16.574 -16.098 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -12.001 -14.692 -14.988 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -13.005 -15.348 -15.649 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -13.318 -17.441 -16.805 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -14.320 -14.968 -15.887 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -14.625 -17.065 -17.042 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -15.116 -15.836 -16.584 1.00 0.00 C ATOM 0 H TRP 1 67 -10.391 -17.047 -13.307 1.00 0.00 H new ATOM 0 HA TRP 1 67 -9.926 -19.571 -14.789 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -9.279 -17.373 -16.433 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -10.631 -18.473 -16.620 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -9.923 -15.189 -14.583 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -12.082 -13.777 -14.545 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -12.946 -18.390 -17.161 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -14.701 -14.021 -15.534 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -15.279 -17.729 -17.589 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -16.143 -15.568 -16.785 1.00 0.00 H new ATOM 939 N ASN 1 68 -7.875 -17.016 -14.413 1.00 0.00 N ATOM 940 CA ASN 1 68 -6.494 -16.616 -14.190 1.00 0.00 C ATOM 941 C ASN 1 68 -6.365 -15.924 -12.844 1.00 0.00 C ATOM 942 O ASN 1 68 -5.340 -16.030 -12.171 1.00 0.00 O ATOM 943 CB ASN 1 68 -6.027 -15.662 -15.288 1.00 0.00 C ATOM 944 CG ASN 1 68 -6.692 -15.932 -16.626 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -7.951 -15.523 -16.755 1.00 0.00 O flip ATOM 946 ND2 ASN 1 68 -6.083 -16.501 -17.532 1.00 0.00 N flip ATOM 0 H ASN 1 68 -8.515 -16.235 -14.561 1.00 0.00 H new ATOM 0 HA ASN 1 68 -5.873 -17.511 -14.206 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -6.236 -14.636 -14.984 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -4.946 -15.747 -15.401 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -5.118 -16.798 -17.390 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -6.544 -16.675 -18.425 1.00 0.00 H new ATOM 953 N ASP 1 69 -7.418 -15.208 -12.464 1.00 0.00 N ATOM 954 CA ASP 1 69 -7.437 -14.490 -11.202 1.00 0.00 C ATOM 955 C ASP 1 69 -6.346 -13.443 -11.154 1.00 0.00 C ATOM 956 O ASP 1 69 -5.444 -13.421 -11.991 1.00 0.00 O ATOM 957 CB ASP 1 69 -7.240 -15.452 -10.042 1.00 0.00 C ATOM 958 CG ASP 1 69 -8.530 -16.122 -9.612 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -9.331 -16.491 -10.496 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -8.740 -16.276 -8.390 1.00 0.00 O ATOM 0 H ASP 1 69 -8.270 -15.112 -13.016 1.00 0.00 H new ATOM 0 HA ASP 1 69 -8.408 -14.001 -11.119 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -6.516 -16.216 -10.327 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -6.816 -14.912 -9.195 1.00 0.00 H new ATOM 965 N ASP 1 70 -6.423 -12.596 -10.144 1.00 0.00 N ATOM 966 CA ASP 1 70 -5.432 -11.562 -9.950 1.00 0.00 C ATOM 967 C ASP 1 70 -4.676 -11.827 -8.669 1.00 0.00 C ATOM 968 O ASP 1 70 -5.263 -11.856 -7.591 1.00 0.00 O ATOM 969 CB ASP 1 70 -6.083 -10.186 -9.907 1.00 0.00 C ATOM 970 CG ASP 1 70 -5.054 -9.079 -9.944 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -3.922 -9.313 -9.475 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -5.378 -7.983 -10.437 1.00 0.00 O ATOM 0 H ASP 1 70 -7.166 -12.607 -9.445 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.738 -11.576 -10.790 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -6.763 -10.079 -10.752 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -6.683 -10.095 -9.001 1.00 0.00 H new ATOM 977 N TYR 1 71 -3.379 -12.062 -8.790 1.00 0.00 N ATOM 978 CA TYR 1 71 -2.573 -12.373 -7.626 1.00 0.00 C ATOM 979 C TYR 1 71 -1.277 -11.596 -7.574 1.00 0.00 C ATOM 980 O TYR 1 71 -0.625 -11.365 -8.592 1.00 0.00 O ATOM 981 CB TYR 1 71 -2.263 -13.857 -7.614 1.00 0.00 C ATOM 982 CG TYR 1 71 -3.441 -14.692 -7.215 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -3.832 -14.747 -5.894 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -4.159 -15.418 -8.152 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -4.906 -15.505 -5.499 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -5.241 -16.184 -7.775 1.00 0.00 C ATOM 987 CZ TYR 1 71 -5.614 -16.228 -6.443 1.00 0.00 C ATOM 988 OH TYR 1 71 -6.692 -16.990 -6.056 1.00 0.00 O ATOM 0 H TYR 1 71 -2.869 -12.043 -9.673 1.00 0.00 H new ATOM 0 HA TYR 1 71 -3.155 -12.085 -6.751 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -1.926 -14.161 -8.605 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -1.439 -14.046 -6.926 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -3.282 -14.182 -5.155 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -3.867 -15.383 -9.191 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -5.196 -15.537 -4.459 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -5.794 -16.746 -8.514 1.00 0.00 H new ATOM 0 HH TYR 1 71 -7.413 -16.895 -6.713 1.00 0.00 H new ATOM 998 N CYS 1 72 -0.901 -11.222 -6.362 1.00 0.00 N ATOM 999 CA CYS 1 72 0.331 -10.494 -6.136 1.00 0.00 C ATOM 1000 C CYS 1 72 1.529 -11.374 -6.471 1.00 0.00 C ATOM 1001 O CYS 1 72 1.402 -12.596 -6.566 1.00 0.00 O ATOM 1002 CB CYS 1 72 0.406 -10.036 -4.684 1.00 0.00 C ATOM 1003 SG CYS 1 72 1.607 -8.700 -4.397 1.00 0.00 S ATOM 0 H CYS 1 72 -1.437 -11.414 -5.516 1.00 0.00 H new ATOM 0 HA CYS 1 72 0.348 -9.618 -6.784 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -0.581 -9.699 -4.368 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 0.668 -10.888 -4.057 1.00 0.00 H new ATOM 1008 N THR 1 73 2.686 -10.751 -6.653 1.00 0.00 N ATOM 1009 CA THR 1 73 3.903 -11.485 -6.983 1.00 0.00 C ATOM 1010 C THR 1 73 4.997 -11.244 -5.942 1.00 0.00 C ATOM 1011 O THR 1 73 6.136 -11.675 -6.119 1.00 0.00 O ATOM 1012 CB THR 1 73 4.399 -11.080 -8.372 1.00 0.00 C ATOM 1013 OG1 THR 1 73 5.089 -9.844 -8.318 1.00 0.00 O ATOM 1014 CG2 THR 1 73 3.282 -10.940 -9.386 1.00 0.00 C ATOM 0 H THR 1 73 2.809 -9.741 -6.578 1.00 0.00 H new ATOM 0 HA THR 1 73 3.667 -12.549 -6.982 1.00 0.00 H new ATOM 0 HB THR 1 73 5.060 -11.886 -8.691 1.00 0.00 H new ATOM 0 HG1 THR 1 73 5.400 -9.603 -9.216 1.00 0.00 H new ATOM 0 HG21 THR 1 73 3.700 -10.651 -10.350 1.00 0.00 H new ATOM 0 HG22 THR 1 73 2.761 -11.892 -9.487 1.00 0.00 H new ATOM 0 HG23 THR 1 73 2.580 -10.176 -9.051 1.00 0.00 H new ATOM 1022 N GLY 1 74 4.645 -10.559 -4.856 1.00 0.00 N ATOM 1023 CA GLY 1 74 5.607 -10.281 -3.805 1.00 0.00 C ATOM 1024 C GLY 1 74 6.858 -9.590 -4.315 1.00 0.00 C ATOM 1025 O GLY 1 74 7.911 -9.657 -3.681 1.00 0.00 O ATOM 0 H GLY 1 74 3.709 -10.192 -4.686 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 5.137 -9.656 -3.046 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 5.887 -11.216 -3.320 1.00 0.00 H new ATOM 1029 N LYS 1 75 6.748 -8.926 -5.462 1.00 0.00 N ATOM 1030 CA LYS 1 75 7.888 -8.226 -6.045 1.00 0.00 C ATOM 1031 C LYS 1 75 7.497 -6.841 -6.559 1.00 0.00 C ATOM 1032 O LYS 1 75 8.294 -6.173 -7.218 1.00 0.00 O ATOM 1033 CB LYS 1 75 8.489 -9.047 -7.186 1.00 0.00 C ATOM 1034 CG LYS 1 75 8.650 -10.523 -6.859 1.00 0.00 C ATOM 1035 CD LYS 1 75 10.010 -11.047 -7.292 1.00 0.00 C ATOM 1036 CE LYS 1 75 10.215 -10.898 -8.792 1.00 0.00 C ATOM 1037 NZ LYS 1 75 11.147 -9.783 -9.117 1.00 0.00 N ATOM 0 H LYS 1 75 5.886 -8.858 -6.003 1.00 0.00 H new ATOM 0 HA LYS 1 75 8.631 -8.099 -5.257 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 7.855 -8.946 -8.067 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 9.463 -8.633 -7.445 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 8.526 -10.674 -5.787 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 7.865 -11.094 -7.355 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 10.794 -10.507 -6.761 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 10.102 -12.097 -7.014 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 10.608 -11.830 -9.199 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 9.254 -10.720 -9.274 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 11.653 -9.999 -10.000 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 10.607 -8.902 -9.235 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 11.833 -9.668 -8.344 1.00 0.00 H new ATOM 1051 N SER 1 76 6.274 -6.407 -6.261 1.00 0.00 N ATOM 1052 CA SER 1 76 5.809 -5.099 -6.708 1.00 0.00 C ATOM 1053 C SER 1 76 4.500 -4.712 -6.025 1.00 0.00 C ATOM 1054 O SER 1 76 3.849 -5.540 -5.388 1.00 0.00 O ATOM 1055 CB SER 1 76 5.624 -5.094 -8.226 1.00 0.00 C ATOM 1056 OG SER 1 76 5.365 -3.785 -8.704 1.00 0.00 O ATOM 0 H SER 1 76 5.594 -6.938 -5.717 1.00 0.00 H new ATOM 0 HA SER 1 76 6.566 -4.364 -6.434 1.00 0.00 H new ATOM 0 HB2 SER 1 76 6.519 -5.489 -8.706 1.00 0.00 H new ATOM 0 HB3 SER 1 76 4.799 -5.753 -8.497 1.00 0.00 H new ATOM 0 HG SER 1 76 5.252 -3.808 -9.677 1.00 0.00 H new ATOM 1062 N SER 1 77 4.124 -3.445 -6.170 1.00 0.00 N ATOM 1063 CA SER 1 77 2.893 -2.930 -5.578 1.00 0.00 C ATOM 1064 C SER 1 77 1.703 -3.132 -6.514 1.00 0.00 C ATOM 1065 O SER 1 77 0.623 -2.587 -6.282 1.00 0.00 O ATOM 1066 CB SER 1 77 3.045 -1.443 -5.250 1.00 0.00 C ATOM 1067 OG SER 1 77 2.092 -1.034 -4.286 1.00 0.00 O ATOM 0 H SER 1 77 4.657 -2.752 -6.695 1.00 0.00 H new ATOM 0 HA SER 1 77 2.706 -3.486 -4.659 1.00 0.00 H new ATOM 0 HB2 SER 1 77 4.051 -1.251 -4.876 1.00 0.00 H new ATOM 0 HB3 SER 1 77 2.924 -0.853 -6.158 1.00 0.00 H new ATOM 0 HG SER 1 77 2.405 -1.282 -3.391 1.00 0.00 H new ATOM 1073 N ASP 1 78 1.903 -3.913 -7.572 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.840 -4.175 -8.535 1.00 0.00 C ATOM 1075 C ASP 1 78 0.417 -5.640 -8.501 1.00 0.00 C ATOM 1076 O ASP 1 78 1.236 -6.532 -8.277 1.00 0.00 O ATOM 1077 CB ASP 1 78 1.296 -3.797 -9.945 1.00 0.00 C ATOM 1078 CG ASP 1 78 0.980 -2.355 -10.288 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 1.381 -1.459 -9.516 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 0.331 -2.121 -11.329 1.00 0.00 O ATOM 0 H ASP 1 78 2.788 -4.374 -7.783 1.00 0.00 H new ATOM 0 HA ASP 1 78 -0.020 -3.563 -8.261 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 2.370 -3.961 -10.033 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 0.813 -4.454 -10.668 1.00 0.00 H new ATOM 1085 N CYS 1 79 -0.870 -5.876 -8.724 1.00 0.00 N ATOM 1086 CA CYS 1 79 -1.421 -7.227 -8.722 1.00 0.00 C ATOM 1087 C CYS 1 79 -2.015 -7.568 -10.091 1.00 0.00 C ATOM 1088 O CYS 1 79 -3.088 -7.079 -10.445 1.00 0.00 O ATOM 1089 CB CYS 1 79 -2.497 -7.344 -7.641 1.00 0.00 C ATOM 1090 SG CYS 1 79 -2.096 -8.531 -6.320 1.00 0.00 S ATOM 0 H CYS 1 79 -1.556 -5.145 -8.910 1.00 0.00 H new ATOM 0 HA CYS 1 79 -0.618 -7.932 -8.509 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -2.658 -6.362 -7.196 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.436 -7.640 -8.108 1.00 0.00 H new ATOM 1095 N PRO 1 80 -1.326 -8.408 -10.886 1.00 0.00 N ATOM 1096 CA PRO 1 80 -1.800 -8.800 -12.222 1.00 0.00 C ATOM 1097 C PRO 1 80 -3.017 -9.725 -12.170 1.00 0.00 C ATOM 1098 O PRO 1 80 -3.005 -10.739 -11.475 1.00 0.00 O ATOM 1099 CB PRO 1 80 -0.597 -9.539 -12.815 1.00 0.00 C ATOM 1100 CG PRO 1 80 0.140 -10.064 -11.633 1.00 0.00 C ATOM 1101 CD PRO 1 80 -0.032 -9.033 -10.554 1.00 0.00 C ATOM 0 HA PRO 1 80 -2.128 -7.939 -12.804 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 -0.914 -10.346 -13.476 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 0.028 -8.870 -13.407 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -0.259 -11.029 -11.320 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 1.194 -10.216 -11.865 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 -0.047 -9.486 -9.563 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 0.780 -8.305 -10.560 1.00 0.00 H new ATOM 1109 N TRP 1 81 -4.064 -9.363 -12.915 1.00 0.00 N ATOM 1110 CA TRP 1 81 -5.299 -10.155 -12.963 1.00 0.00 C ATOM 1111 C TRP 1 81 -5.298 -11.161 -14.109 1.00 0.00 C ATOM 1112 O TRP 1 81 -6.091 -12.103 -14.127 1.00 0.00 O ATOM 1113 CB TRP 1 81 -6.522 -9.246 -13.066 1.00 0.00 C ATOM 1114 CG TRP 1 81 -6.537 -8.327 -14.253 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 -5.532 -8.070 -15.145 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 -7.643 -7.530 -14.663 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 -5.954 -7.148 -16.074 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 -7.251 -6.804 -15.797 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -8.929 -7.367 -14.167 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 -8.109 -5.920 -16.443 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 -9.786 -6.493 -14.806 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 -9.372 -5.776 -15.934 1.00 0.00 C ATOM 0 H TRP 1 81 -4.083 -8.524 -13.495 1.00 0.00 H new ATOM 0 HA TRP 1 81 -5.348 -10.718 -12.031 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -7.416 -9.869 -13.097 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -6.585 -8.644 -12.160 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 -4.552 -8.524 -15.123 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 -5.394 -6.781 -16.843 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -9.254 -7.915 -13.295 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 -7.791 -5.367 -17.314 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 -10.790 -6.361 -14.430 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 -10.062 -5.096 -16.412 1.00 0.00 H new ATOM 1133 N ASN 1 82 -4.402 -10.958 -15.050 1.00 0.00 N ATOM 1134 CA ASN 1 82 -4.274 -11.840 -16.205 1.00 0.00 C ATOM 1135 C ASN 1 82 -5.557 -11.857 -17.031 1.00 0.00 C ATOM 1136 O ASN 1 82 -6.060 -12.920 -17.394 1.00 0.00 O ATOM 1137 CB ASN 1 82 -3.927 -13.260 -15.751 1.00 0.00 C ATOM 1138 CG ASN 1 82 -2.436 -13.455 -15.556 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -1.640 -13.194 -16.458 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -2.050 -13.919 -14.372 1.00 0.00 N ATOM 0 H ASN 1 82 -3.741 -10.182 -15.043 1.00 0.00 H new ATOM 0 HA ASN 1 82 -3.469 -11.457 -16.832 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -4.445 -13.477 -14.816 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -4.291 -13.974 -16.490 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -1.060 -14.072 -14.182 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -2.744 -14.122 -13.653 1.00 0.00 H new ATOM 1147 N HIS 1 83 -6.081 -10.672 -17.329 1.00 0.00 N ATOM 1148 CA HIS 1 83 -7.304 -10.554 -18.114 1.00 0.00 C ATOM 1149 C HIS 1 83 -7.179 -9.445 -19.154 1.00 0.00 C ATOM 1150 O HIS 1 83 -6.312 -8.564 -18.977 1.00 0.00 O ATOM 1151 CB HIS 1 83 -8.497 -10.279 -17.198 1.00 0.00 C ATOM 1152 CG HIS 1 83 -8.551 -11.183 -16.008 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -8.811 -10.733 -14.732 1.00 0.00 N ATOM 1154 CD2 HIS 1 83 -8.370 -12.520 -15.903 1.00 0.00 C ATOM 1155 CE1 HIS 1 83 -8.786 -11.754 -13.894 1.00 0.00 C ATOM 1156 NE2 HIS 1 83 -8.522 -12.850 -14.580 1.00 0.00 N ATOM 1157 OXT HIS 1 83 -7.949 -9.468 -20.137 1.00 0.00 O ATOM 0 H HIS 1 83 -5.678 -9.781 -17.039 1.00 0.00 H new ATOM 0 HA HIS 1 83 -7.465 -11.498 -18.635 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 -8.454 -9.244 -16.858 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 -9.418 -10.388 -17.770 1.00 0.00 H new ATOM 0 HD1 HIS 1 83 -8.994 -9.763 -14.475 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -8.147 -13.201 -16.711 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -8.953 -11.701 -12.828 1.00 0.00 H new