USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=14 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 73 THR OG1 : rot -150:sc= -1.41 USER MOD Set 1.2: 1 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: 1 68 ASN : amide:sc= -3.58 K(o=-12,f=-8.2) USER MOD Set 2.2: 1 83 HIS : no HE2:sc= -8.34 X(o=-12,f=-11!) USER MOD Set 3.1: 1 25 GLN : amide:sc= -1.18 K(o=-9.5,f=-7.8) USER MOD Set 3.2: 1 30 ASN : amide:sc= -4.15 K(o=-9.5,f=-6.1) USER MOD Set 3.3: 1 33 THR OG1 : rot -87:sc= -4.17! USER MOD Single : 1 7 ASN : amide:sc= -0.219 X(o=-0.22,f=-0.03) USER MOD Single : 1 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 12 GLN : amide:sc= -3.18! C(o=-3.2!,f=-16!) USER MOD Single : 1 20 SER OG : rot 35:sc= 0.921 USER MOD Single : 1 23 ASN : amide:sc= -0.965 K(o=-0.97,f=-2.5!) USER MOD Single : 1 35 LYS NZ :NH3+ -156:sc= -0.058 (180deg=-0.302) USER MOD Single : 1 37 THR OG1 : rot -38:sc= -3.56! USER MOD Single : 1 40 SER OG : rot 168:sc= 1.18 USER MOD Single : 1 41 GLN : amide:sc= -0.494 X(o=-0.49,f=0) USER MOD Single : 1 43 ASN : amide:sc= -4.03! C(o=-4!,f=-7.9!) USER MOD Single : 1 44 TYR OH : rot 180:sc= 0 USER MOD Single : 1 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 54 LYS NZ :NH3+ -124:sc= 0.682 (180deg=-0.0514) USER MOD Single : 1 55 LYS NZ :NH3+ -140:sc= 0 (180deg=-1.14) USER MOD Single : 1 58 THR OG1 : rot 78:sc= 0.77 USER MOD Single : 1 71 TYR OH : rot 130:sc= 0.00628 USER MOD Single : 1 76 SER OG : rot 180:sc= 0 USER MOD Single : 1 77 SER OG : rot 180:sc= 0 USER MOD Single : 1 82 ASN : amide:sc= -0.335 K(o=-0.34,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 42 N VAL 1 4 -1.274 17.558 12.228 1.00 0.00 N ATOM 43 CA VAL 1 4 -1.260 16.825 11.002 1.00 0.00 C ATOM 44 C VAL 1 4 -0.094 17.273 10.130 1.00 0.00 C ATOM 45 O VAL 1 4 -0.208 18.203 9.333 1.00 0.00 O ATOM 46 CB VAL 1 4 -2.608 17.021 10.286 1.00 0.00 C ATOM 47 CG1 VAL 1 4 -2.790 18.465 9.841 1.00 0.00 C ATOM 48 CG2 VAL 1 4 -2.757 16.069 9.127 1.00 0.00 C ATOM 0 HA VAL 1 4 -1.123 15.763 11.206 1.00 0.00 H new ATOM 0 HB VAL 1 4 -3.398 16.793 11.002 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 -3.751 18.572 9.338 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 -2.760 19.120 10.711 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 -1.989 18.738 9.154 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 -3.720 16.233 8.643 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 -1.955 16.242 8.409 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 -2.704 15.043 9.490 1.00 0.00 H new ATOM 58 N CYS 1 5 1.039 16.608 10.308 1.00 0.00 N ATOM 59 CA CYS 1 5 2.241 16.947 9.552 1.00 0.00 C ATOM 60 C CYS 1 5 2.033 16.594 8.084 1.00 0.00 C ATOM 61 O CYS 1 5 2.190 15.443 7.677 1.00 0.00 O ATOM 62 CB CYS 1 5 3.487 16.216 10.101 1.00 0.00 C ATOM 63 SG CYS 1 5 3.284 15.426 11.742 1.00 0.00 S ATOM 0 H CYS 1 5 1.153 15.835 10.964 1.00 0.00 H new ATOM 0 HA CYS 1 5 2.417 18.018 9.655 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 3.782 15.450 9.383 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 4.308 16.930 10.161 1.00 0.00 H new ATOM 68 N GLY 1 6 1.655 17.601 7.300 1.00 0.00 N ATOM 69 CA GLY 1 6 1.400 17.396 5.887 1.00 0.00 C ATOM 70 C GLY 1 6 -0.082 17.214 5.590 1.00 0.00 C ATOM 71 O GLY 1 6 -0.454 16.801 4.492 1.00 0.00 O ATOM 0 H GLY 1 6 1.521 18.559 7.622 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 1.780 18.249 5.324 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 1.948 16.518 5.544 1.00 0.00 H new ATOM 75 N ASN 1 7 -0.929 17.522 6.576 1.00 0.00 N ATOM 76 CA ASN 1 7 -2.379 17.387 6.425 1.00 0.00 C ATOM 77 C ASN 1 7 -2.756 15.935 6.149 1.00 0.00 C ATOM 78 O ASN 1 7 -2.006 15.205 5.501 1.00 0.00 O ATOM 79 CB ASN 1 7 -2.890 18.277 5.288 1.00 0.00 C ATOM 80 CG ASN 1 7 -3.476 19.581 5.793 1.00 0.00 C ATOM 81 OD1 ASN 1 7 -3.055 20.663 5.384 1.00 0.00 O ATOM 82 ND2 ASN 1 7 -4.453 19.484 6.687 1.00 0.00 N ATOM 0 H ASN 1 7 -0.634 17.867 7.489 1.00 0.00 H new ATOM 0 HA ASN 1 7 -2.845 17.704 7.358 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 -2.071 18.492 4.602 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 -3.648 17.737 4.720 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 -4.886 20.328 7.063 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 -4.771 18.566 6.998 1.00 0.00 H new ATOM 89 N LYS 1 8 -3.925 15.517 6.635 1.00 0.00 N ATOM 90 CA LYS 1 8 -4.387 14.149 6.429 1.00 0.00 C ATOM 91 C LYS 1 8 -4.258 13.781 4.964 1.00 0.00 C ATOM 92 O LYS 1 8 -5.056 14.224 4.137 1.00 0.00 O ATOM 93 CB LYS 1 8 -5.839 13.999 6.885 1.00 0.00 C ATOM 94 CG LYS 1 8 -6.201 12.585 7.309 1.00 0.00 C ATOM 95 CD LYS 1 8 -5.987 11.592 6.178 1.00 0.00 C ATOM 96 CE LYS 1 8 -6.445 10.197 6.568 1.00 0.00 C ATOM 97 NZ LYS 1 8 -5.598 9.140 5.949 1.00 0.00 N ATOM 0 H LYS 1 8 -4.564 16.104 7.171 1.00 0.00 H new ATOM 0 HA LYS 1 8 -3.769 13.476 7.023 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 -6.021 14.677 7.719 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 -6.499 14.306 6.074 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 -5.596 12.295 8.168 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 -7.243 12.555 7.628 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 -6.534 11.922 5.295 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 -4.931 11.567 5.909 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 -6.416 10.096 7.653 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 -7.482 10.057 6.262 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 -5.944 8.203 6.240 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 -5.645 9.220 4.913 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 -4.613 9.258 6.261 1.00 0.00 H new ATOM 111 N ILE 1 9 -3.232 12.998 4.633 1.00 0.00 N ATOM 112 CA ILE 1 9 -3.011 12.622 3.231 1.00 0.00 C ATOM 113 C ILE 1 9 -4.312 12.255 2.542 1.00 0.00 C ATOM 114 O ILE 1 9 -5.183 11.608 3.124 1.00 0.00 O ATOM 115 CB ILE 1 9 -2.011 11.465 3.030 1.00 0.00 C ATOM 116 CG1 ILE 1 9 -2.534 10.154 3.638 1.00 0.00 C ATOM 117 CG2 ILE 1 9 -0.645 11.839 3.573 1.00 0.00 C ATOM 118 CD1 ILE 1 9 -1.829 9.726 4.903 1.00 0.00 C ATOM 0 H ILE 1 9 -2.555 12.618 5.294 1.00 0.00 H new ATOM 0 HA ILE 1 9 -2.575 13.514 2.782 1.00 0.00 H new ATOM 0 HB ILE 1 9 -1.904 11.291 1.959 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 -3.598 10.265 3.849 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 -2.438 9.361 2.897 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 0.046 11.010 3.422 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 -0.274 12.720 3.050 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 -0.724 12.056 4.638 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 -2.262 8.792 5.263 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 -0.769 9.579 4.697 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 -1.947 10.497 5.664 1.00 0.00 H new ATOM 130 N LEU 1 10 -4.433 12.684 1.299 1.00 0.00 N ATOM 131 CA LEU 1 10 -5.623 12.418 0.513 1.00 0.00 C ATOM 132 C LEU 1 10 -5.354 11.353 -0.543 1.00 0.00 C ATOM 133 O LEU 1 10 -6.170 11.130 -1.436 1.00 0.00 O ATOM 134 CB LEU 1 10 -6.112 13.715 -0.138 1.00 0.00 C ATOM 135 CG LEU 1 10 -5.039 14.548 -0.856 1.00 0.00 C ATOM 136 CD1 LEU 1 10 -4.262 15.399 0.139 1.00 0.00 C ATOM 137 CD2 LEU 1 10 -4.092 13.660 -1.656 1.00 0.00 C ATOM 0 H LEU 1 10 -3.717 13.221 0.810 1.00 0.00 H new ATOM 0 HA LEU 1 10 -6.401 12.037 1.175 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 -6.893 13.467 -0.856 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 -6.572 14.335 0.632 1.00 0.00 H new ATOM 0 HG LEU 1 10 -5.547 15.212 -1.556 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 -3.508 15.981 -0.391 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 -4.946 16.074 0.652 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 -3.775 14.752 0.869 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 -3.345 14.279 -2.152 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 -3.595 12.960 -0.984 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 -4.658 13.105 -2.404 1.00 0.00 H new ATOM 149 N GLU 1 11 -4.201 10.705 -0.427 1.00 0.00 N ATOM 150 CA GLU 1 11 -3.804 9.661 -1.368 1.00 0.00 C ATOM 151 C GLU 1 11 -2.399 9.141 -1.069 1.00 0.00 C ATOM 152 O GLU 1 11 -1.623 8.878 -1.989 1.00 0.00 O ATOM 153 CB GLU 1 11 -3.840 10.202 -2.797 1.00 0.00 C ATOM 154 CG GLU 1 11 -2.806 11.286 -3.057 1.00 0.00 C ATOM 155 CD GLU 1 11 -1.732 10.847 -4.033 1.00 0.00 C ATOM 156 OE1 GLU 1 11 -2.084 10.436 -5.158 1.00 0.00 O ATOM 157 OE2 GLU 1 11 -0.538 10.914 -3.671 1.00 0.00 O ATOM 0 H GLU 1 11 -3.521 10.884 0.312 1.00 0.00 H new ATOM 0 HA GLU 1 11 -4.510 8.837 -1.261 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 -3.677 9.380 -3.493 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 -4.833 10.601 -3.002 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 -3.305 12.173 -3.447 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 -2.340 11.572 -2.114 1.00 0.00 H new ATOM 164 N GLN 1 12 -2.063 8.995 0.208 1.00 0.00 N ATOM 165 CA GLN 1 12 -0.739 8.510 0.578 1.00 0.00 C ATOM 166 C GLN 1 12 -0.812 7.413 1.646 1.00 0.00 C ATOM 167 O GLN 1 12 -0.973 6.237 1.324 1.00 0.00 O ATOM 168 CB GLN 1 12 0.138 9.669 1.064 1.00 0.00 C ATOM 169 CG GLN 1 12 0.467 10.695 -0.010 1.00 0.00 C ATOM 170 CD GLN 1 12 -0.400 11.936 0.080 1.00 0.00 C ATOM 171 OE1 GLN 1 12 -1.614 11.875 -0.111 1.00 0.00 O ATOM 172 NE2 GLN 1 12 0.222 13.073 0.371 1.00 0.00 N ATOM 0 H GLN 1 12 -2.679 9.202 0.994 1.00 0.00 H new ATOM 0 HA GLN 1 12 -0.289 8.072 -0.313 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 -0.368 10.172 1.888 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 1.069 9.264 1.461 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 1.515 10.982 0.077 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 0.341 10.240 -0.992 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 1.231 13.078 0.522 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 -0.309 13.941 0.444 1.00 0.00 H new ATOM 181 N GLY 1 13 -0.666 7.798 2.912 1.00 0.00 N ATOM 182 CA GLY 1 13 -0.688 6.826 3.992 1.00 0.00 C ATOM 183 C GLY 1 13 0.677 6.192 4.189 1.00 0.00 C ATOM 184 O GLY 1 13 0.801 5.144 4.822 1.00 0.00 O ATOM 0 H GLY 1 13 -0.533 8.765 3.209 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 -1.003 7.312 4.916 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 -1.423 6.052 3.773 1.00 0.00 H new ATOM 188 N GLU 1 14 1.695 6.847 3.625 1.00 0.00 N ATOM 189 CA GLU 1 14 3.087 6.396 3.687 1.00 0.00 C ATOM 190 C GLU 1 14 3.860 6.952 2.501 1.00 0.00 C ATOM 191 O GLU 1 14 5.088 7.025 2.524 1.00 0.00 O ATOM 192 CB GLU 1 14 3.191 4.868 3.695 1.00 0.00 C ATOM 193 CG GLU 1 14 3.533 4.293 5.058 1.00 0.00 C ATOM 194 CD GLU 1 14 3.918 2.829 4.993 1.00 0.00 C ATOM 195 OE1 GLU 1 14 5.074 2.535 4.620 1.00 0.00 O ATOM 196 OE2 GLU 1 14 3.064 1.975 5.313 1.00 0.00 O ATOM 0 H GLU 1 14 1.574 7.717 3.106 1.00 0.00 H new ATOM 0 HA GLU 1 14 3.514 6.766 4.619 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 2.245 4.445 3.358 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 3.951 4.559 2.978 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 4.355 4.862 5.492 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 2.677 4.411 5.723 1.00 0.00 H new ATOM 203 N ASP 1 15 3.128 7.350 1.466 1.00 0.00 N ATOM 204 CA ASP 1 15 3.740 7.906 0.276 1.00 0.00 C ATOM 205 C ASP 1 15 4.482 9.190 0.613 1.00 0.00 C ATOM 206 O ASP 1 15 5.632 9.373 0.215 1.00 0.00 O ATOM 207 CB ASP 1 15 2.669 8.171 -0.782 1.00 0.00 C ATOM 208 CG ASP 1 15 3.226 8.834 -2.028 1.00 0.00 C ATOM 209 OD1 ASP 1 15 3.894 8.139 -2.822 1.00 0.00 O ATOM 210 OD2 ASP 1 15 2.993 10.048 -2.208 1.00 0.00 O ATOM 0 H ASP 1 15 2.110 7.296 1.432 1.00 0.00 H new ATOM 0 HA ASP 1 15 4.459 7.189 -0.121 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 2.196 7.229 -1.058 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 1.892 8.805 -0.355 1.00 0.00 H new ATOM 215 N CYS 1 16 3.817 10.078 1.353 1.00 0.00 N ATOM 216 CA CYS 1 16 4.420 11.347 1.744 1.00 0.00 C ATOM 217 C CYS 1 16 3.377 12.308 2.318 1.00 0.00 C ATOM 218 O CYS 1 16 2.253 12.395 1.825 1.00 0.00 O ATOM 219 CB CYS 1 16 5.130 11.978 0.538 1.00 0.00 C ATOM 220 SG CYS 1 16 5.179 13.802 0.534 1.00 0.00 S ATOM 0 H CYS 1 16 2.865 9.940 1.691 1.00 0.00 H new ATOM 0 HA CYS 1 16 5.151 11.152 2.528 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 6.153 11.603 0.501 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 4.634 11.642 -0.372 1.00 0.00 H new ATOM 225 N ASP 1 17 3.776 13.033 3.360 1.00 0.00 N ATOM 226 CA ASP 1 17 2.911 14.006 4.019 1.00 0.00 C ATOM 227 C ASP 1 17 1.773 13.316 4.756 1.00 0.00 C ATOM 228 O ASP 1 17 0.644 13.806 4.758 1.00 0.00 O ATOM 229 CB ASP 1 17 2.356 15.006 2.998 1.00 0.00 C ATOM 230 CG ASP 1 17 3.092 16.331 3.029 1.00 0.00 C ATOM 231 OD1 ASP 1 17 3.628 16.688 4.099 1.00 0.00 O ATOM 232 OD2 ASP 1 17 3.134 17.012 1.983 1.00 0.00 O ATOM 0 H ASP 1 17 4.707 12.962 3.770 1.00 0.00 H new ATOM 0 HA ASP 1 17 3.509 14.548 4.752 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 2.427 14.577 1.998 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 1.298 15.176 3.198 1.00 0.00 H new ATOM 237 N CYS 1 18 2.082 12.176 5.379 1.00 0.00 N ATOM 238 CA CYS 1 18 1.089 11.396 6.123 1.00 0.00 C ATOM 239 C CYS 1 18 0.061 12.282 6.811 1.00 0.00 C ATOM 240 O CYS 1 18 -1.107 11.913 6.910 1.00 0.00 O ATOM 241 CB CYS 1 18 1.763 10.500 7.167 1.00 0.00 C ATOM 242 SG CYS 1 18 1.146 8.786 7.163 1.00 0.00 S ATOM 0 H CYS 1 18 3.018 11.770 5.383 1.00 0.00 H new ATOM 0 HA CYS 1 18 0.572 10.776 5.390 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 2.838 10.491 6.986 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 1.610 10.930 8.157 1.00 0.00 H new ATOM 247 N GLY 1 19 0.492 13.442 7.289 1.00 0.00 N ATOM 248 CA GLY 1 19 -0.425 14.332 7.968 1.00 0.00 C ATOM 249 C GLY 1 19 -0.947 13.729 9.241 1.00 0.00 C ATOM 250 O GLY 1 19 -0.680 14.242 10.319 1.00 0.00 O ATOM 0 H GLY 1 19 1.452 13.779 7.219 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 0.079 15.272 8.191 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 -1.260 14.567 7.308 1.00 0.00 H new ATOM 254 N SER 1 20 -1.691 12.633 9.130 1.00 0.00 N ATOM 255 CA SER 1 20 -2.241 11.993 10.304 1.00 0.00 C ATOM 256 C SER 1 20 -1.144 11.764 11.330 1.00 0.00 C ATOM 257 O SER 1 20 -0.307 10.872 11.187 1.00 0.00 O ATOM 258 CB SER 1 20 -2.924 10.684 9.943 1.00 0.00 C ATOM 259 OG SER 1 20 -1.994 9.732 9.456 1.00 0.00 O ATOM 0 H SER 1 20 -1.921 12.179 8.246 1.00 0.00 H new ATOM 0 HA SER 1 20 -2.995 12.651 10.736 1.00 0.00 H new ATOM 0 HB2 SER 1 20 -3.432 10.283 10.820 1.00 0.00 H new ATOM 0 HB3 SER 1 20 -3.689 10.867 9.188 1.00 0.00 H new ATOM 0 HG SER 1 20 -1.140 9.840 9.925 1.00 0.00 H new ATOM 265 N PRO 1 21 -1.131 12.604 12.370 1.00 0.00 N ATOM 266 CA PRO 1 21 -0.127 12.544 13.428 1.00 0.00 C ATOM 267 C PRO 1 21 -0.076 11.184 14.105 1.00 0.00 C ATOM 268 O PRO 1 21 0.952 10.797 14.662 1.00 0.00 O ATOM 269 CB PRO 1 21 -0.559 13.637 14.416 1.00 0.00 C ATOM 270 CG PRO 1 21 -1.965 13.978 14.046 1.00 0.00 C ATOM 271 CD PRO 1 21 -2.091 13.695 12.578 1.00 0.00 C ATOM 0 HA PRO 1 21 0.879 12.696 13.037 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 -0.499 13.282 15.445 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 0.089 14.511 14.342 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 -2.674 13.382 14.620 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 -2.181 15.024 14.261 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 -3.105 13.398 12.310 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 -1.845 14.570 11.976 1.00 0.00 H new ATOM 279 N ALA 1 22 -1.178 10.446 14.035 1.00 0.00 N ATOM 280 CA ALA 1 22 -1.229 9.117 14.624 1.00 0.00 C ATOM 281 C ALA 1 22 -0.169 8.219 13.989 1.00 0.00 C ATOM 282 O ALA 1 22 0.203 7.187 14.546 1.00 0.00 O ATOM 283 CB ALA 1 22 -2.614 8.512 14.451 1.00 0.00 C ATOM 0 H ALA 1 22 -2.041 10.744 13.580 1.00 0.00 H new ATOM 0 HA ALA 1 22 -1.022 9.199 15.691 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 -2.635 7.518 14.897 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 -3.352 9.146 14.942 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 -2.849 8.438 13.389 1.00 0.00 H new ATOM 289 N ASN 1 23 0.312 8.628 12.814 1.00 0.00 N ATOM 290 CA ASN 1 23 1.327 7.876 12.091 1.00 0.00 C ATOM 291 C ASN 1 23 2.515 8.766 11.708 1.00 0.00 C ATOM 292 O ASN 1 23 3.429 8.322 11.013 1.00 0.00 O ATOM 293 CB ASN 1 23 0.712 7.256 10.836 1.00 0.00 C ATOM 294 CG ASN 1 23 -0.546 6.466 11.139 1.00 0.00 C ATOM 295 OD1 ASN 1 23 -0.790 6.078 12.282 1.00 0.00 O ATOM 296 ND2 ASN 1 23 -1.354 6.223 10.113 1.00 0.00 N ATOM 0 H ASN 1 23 0.010 9.482 12.344 1.00 0.00 H new ATOM 0 HA ASN 1 23 1.697 7.087 12.746 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 0.479 8.045 10.121 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 1.443 6.602 10.361 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 -2.216 5.696 10.256 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 -1.113 6.563 9.182 1.00 0.00 H new ATOM 303 N CYS 1 24 2.500 10.022 12.161 1.00 0.00 N ATOM 304 CA CYS 1 24 3.581 10.959 11.857 1.00 0.00 C ATOM 305 C CYS 1 24 4.828 10.632 12.672 1.00 0.00 C ATOM 306 O CYS 1 24 4.991 11.107 13.796 1.00 0.00 O ATOM 307 CB CYS 1 24 3.133 12.403 12.131 1.00 0.00 C ATOM 308 SG CYS 1 24 4.330 13.684 11.612 1.00 0.00 S ATOM 0 H CYS 1 24 1.754 10.411 12.737 1.00 0.00 H new ATOM 0 HA CYS 1 24 3.826 10.862 10.799 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 2.187 12.579 11.618 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 2.942 12.514 13.198 1.00 0.00 H new ATOM 313 N GLN 1 25 5.704 9.815 12.094 1.00 0.00 N ATOM 314 CA GLN 1 25 6.939 9.418 12.760 1.00 0.00 C ATOM 315 C GLN 1 25 6.641 8.621 14.027 1.00 0.00 C ATOM 316 O GLN 1 25 6.951 9.058 15.136 1.00 0.00 O ATOM 317 CB GLN 1 25 7.779 10.651 13.101 1.00 0.00 C ATOM 318 CG GLN 1 25 8.124 11.506 11.893 1.00 0.00 C ATOM 319 CD GLN 1 25 9.546 11.290 11.413 1.00 0.00 C ATOM 320 OE1 GLN 1 25 9.951 10.165 11.119 1.00 0.00 O ATOM 321 NE2 GLN 1 25 10.314 12.371 11.333 1.00 0.00 N ATOM 0 H GLN 1 25 5.580 9.415 11.164 1.00 0.00 H new ATOM 0 HA GLN 1 25 7.503 8.782 12.078 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 7.237 11.261 13.824 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 8.702 10.329 13.583 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 7.432 11.279 11.082 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 7.985 12.557 12.145 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 9.937 13.284 11.587 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 11.281 12.288 11.018 1.00 0.00 H new ATOM 330 N ASP 1 26 6.038 7.448 13.855 1.00 0.00 N ATOM 331 CA ASP 1 26 5.700 6.592 14.987 1.00 0.00 C ATOM 332 C ASP 1 26 5.043 5.295 14.521 1.00 0.00 C ATOM 333 O ASP 1 26 5.289 4.229 15.084 1.00 0.00 O ATOM 334 CB ASP 1 26 4.768 7.329 15.951 1.00 0.00 C ATOM 335 CG ASP 1 26 5.005 6.938 17.396 1.00 0.00 C ATOM 336 OD1 ASP 1 26 6.044 7.343 17.959 1.00 0.00 O ATOM 337 OD2 ASP 1 26 4.152 6.225 17.966 1.00 0.00 O ATOM 0 H ASP 1 26 5.774 7.070 12.945 1.00 0.00 H new ATOM 0 HA ASP 1 26 6.626 6.341 15.504 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 4.911 8.404 15.840 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 3.733 7.116 15.685 1.00 0.00 H new ATOM 342 N ARG 1 27 4.201 5.393 13.496 1.00 0.00 N ATOM 343 CA ARG 1 27 3.508 4.223 12.968 1.00 0.00 C ATOM 344 C ARG 1 27 4.339 3.528 11.888 1.00 0.00 C ATOM 345 O ARG 1 27 5.132 2.635 12.189 1.00 0.00 O ATOM 346 CB ARG 1 27 2.132 4.624 12.423 1.00 0.00 C ATOM 347 CG ARG 1 27 1.360 3.474 11.793 1.00 0.00 C ATOM 348 CD ARG 1 27 0.547 2.711 12.828 1.00 0.00 C ATOM 349 NE ARG 1 27 1.323 2.419 14.032 1.00 0.00 N ATOM 350 CZ ARG 1 27 1.302 3.167 15.135 1.00 0.00 C ATOM 351 NH1 ARG 1 27 0.556 4.264 15.195 1.00 0.00 N ATOM 352 NH2 ARG 1 27 2.035 2.817 16.184 1.00 0.00 N ATOM 0 H ARG 1 27 3.983 6.267 13.017 1.00 0.00 H new ATOM 0 HA ARG 1 27 3.367 3.513 13.783 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 1.539 5.045 13.235 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 2.261 5.412 11.681 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 0.695 3.861 11.021 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 2.056 2.793 11.302 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 -0.334 3.294 13.098 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 0.191 1.778 12.392 1.00 0.00 H new ATOM 0 HE ARG 1 27 1.918 1.591 14.028 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 -0.008 4.541 14.392 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 0.547 4.829 16.044 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 2.613 1.977 16.145 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 2.021 3.388 17.029 1.00 0.00 H new ATOM 366 N CYS 1 28 4.157 3.933 10.633 1.00 0.00 N ATOM 367 CA CYS 1 28 4.897 3.335 9.527 1.00 0.00 C ATOM 368 C CYS 1 28 4.995 4.297 8.345 1.00 0.00 C ATOM 369 O CYS 1 28 5.190 3.872 7.205 1.00 0.00 O ATOM 370 CB CYS 1 28 4.223 2.033 9.085 1.00 0.00 C ATOM 371 SG CYS 1 28 5.387 0.690 8.678 1.00 0.00 S ATOM 0 H CYS 1 28 3.507 4.669 10.359 1.00 0.00 H new ATOM 0 HA CYS 1 28 5.907 3.118 9.875 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 3.558 1.694 9.879 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 3.601 2.237 8.213 1.00 0.00 H new ATOM 376 N CYS 1 29 4.867 5.591 8.620 1.00 0.00 N ATOM 377 CA CYS 1 29 4.946 6.603 7.571 1.00 0.00 C ATOM 378 C CYS 1 29 5.640 7.859 8.069 1.00 0.00 C ATOM 379 O CYS 1 29 5.795 8.068 9.272 1.00 0.00 O ATOM 380 CB CYS 1 29 3.549 6.954 7.064 1.00 0.00 C ATOM 381 SG CYS 1 29 2.497 7.783 8.294 1.00 0.00 S ATOM 0 H CYS 1 29 4.709 5.963 9.556 1.00 0.00 H new ATOM 0 HA CYS 1 29 5.533 6.186 6.752 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 3.643 7.598 6.190 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 3.054 6.040 6.735 1.00 0.00 H new ATOM 386 N ASN 1 30 6.051 8.692 7.126 1.00 0.00 N ATOM 387 CA ASN 1 30 6.727 9.936 7.442 1.00 0.00 C ATOM 388 C ASN 1 30 5.871 11.127 7.063 1.00 0.00 C ATOM 389 O ASN 1 30 5.900 11.600 5.927 1.00 0.00 O ATOM 390 CB ASN 1 30 8.070 10.008 6.725 1.00 0.00 C ATOM 391 CG ASN 1 30 9.142 9.193 7.421 1.00 0.00 C ATOM 392 OD1 ASN 1 30 9.846 8.404 6.791 1.00 0.00 O ATOM 393 ND2 ASN 1 30 9.272 9.380 8.730 1.00 0.00 N ATOM 0 H ASN 1 30 5.926 8.525 6.128 1.00 0.00 H new ATOM 0 HA ASN 1 30 6.899 9.964 8.518 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 7.952 9.650 5.702 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 8.391 11.048 6.664 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 9.977 8.859 9.252 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 8.667 10.044 9.213 1.00 0.00 H new ATOM 400 N ALA 1 31 5.134 11.622 8.039 1.00 0.00 N ATOM 401 CA ALA 1 31 4.286 12.785 7.839 1.00 0.00 C ATOM 402 C ALA 1 31 5.141 14.039 7.923 1.00 0.00 C ATOM 403 O ALA 1 31 4.788 15.091 7.391 1.00 0.00 O ATOM 404 CB ALA 1 31 3.160 12.821 8.866 1.00 0.00 C ATOM 0 H ALA 1 31 5.105 11.236 8.983 1.00 0.00 H new ATOM 0 HA ALA 1 31 3.823 12.730 6.854 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 2.540 13.701 8.695 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 2.550 11.923 8.769 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 3.584 12.865 9.869 1.00 0.00 H new ATOM 410 N ALA 1 32 6.286 13.898 8.586 1.00 0.00 N ATOM 411 CA ALA 1 32 7.230 14.992 8.737 1.00 0.00 C ATOM 412 C ALA 1 32 8.406 14.818 7.783 1.00 0.00 C ATOM 413 O ALA 1 32 9.254 15.701 7.657 1.00 0.00 O ATOM 414 CB ALA 1 32 7.728 15.061 10.172 1.00 0.00 C ATOM 0 H ALA 1 32 6.580 13.028 9.029 1.00 0.00 H new ATOM 0 HA ALA 1 32 6.720 15.924 8.494 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 8.435 15.885 10.273 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 6.884 15.223 10.843 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 8.223 14.125 10.431 1.00 0.00 H new ATOM 420 N THR 1 33 8.461 13.660 7.126 1.00 0.00 N ATOM 421 CA THR 1 33 9.543 13.357 6.203 1.00 0.00 C ATOM 422 C THR 1 33 9.037 13.128 4.782 1.00 0.00 C ATOM 423 O THR 1 33 9.809 12.779 3.889 1.00 0.00 O ATOM 424 CB THR 1 33 10.316 12.140 6.704 1.00 0.00 C ATOM 425 OG1 THR 1 33 9.849 11.746 7.986 1.00 0.00 O ATOM 426 CG2 THR 1 33 11.791 12.391 6.826 1.00 0.00 C ATOM 0 H THR 1 33 7.766 12.919 7.219 1.00 0.00 H new ATOM 0 HA THR 1 33 10.208 14.220 6.166 1.00 0.00 H new ATOM 0 HB THR 1 33 10.149 11.361 5.960 1.00 0.00 H new ATOM 0 HG1 THR 1 33 10.328 12.249 8.677 1.00 0.00 H new ATOM 0 HG21 THR 1 33 12.285 11.489 7.187 1.00 0.00 H new ATOM 0 HG22 THR 1 33 12.196 12.661 5.851 1.00 0.00 H new ATOM 0 HG23 THR 1 33 11.965 13.205 7.529 1.00 0.00 H new ATOM 434 N CYS 1 34 7.744 13.346 4.570 1.00 0.00 N ATOM 435 CA CYS 1 34 7.146 13.186 3.251 1.00 0.00 C ATOM 436 C CYS 1 34 7.568 11.869 2.592 1.00 0.00 C ATOM 437 O CYS 1 34 8.074 11.854 1.470 1.00 0.00 O ATOM 438 CB CYS 1 34 7.512 14.398 2.379 1.00 0.00 C ATOM 439 SG CYS 1 34 7.158 14.228 0.597 1.00 0.00 S ATOM 0 H CYS 1 34 7.089 13.635 5.297 1.00 0.00 H new ATOM 0 HA CYS 1 34 6.062 13.141 3.359 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 6.975 15.269 2.756 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 8.576 14.602 2.501 1.00 0.00 H new ATOM 444 N LYS 1 35 7.361 10.756 3.293 1.00 0.00 N ATOM 445 CA LYS 1 35 7.719 9.452 2.747 1.00 0.00 C ATOM 446 C LYS 1 35 7.279 8.313 3.656 1.00 0.00 C ATOM 447 O LYS 1 35 6.696 8.531 4.715 1.00 0.00 O ATOM 448 CB LYS 1 35 9.226 9.368 2.528 1.00 0.00 C ATOM 449 CG LYS 1 35 9.614 9.014 1.102 1.00 0.00 C ATOM 450 CD LYS 1 35 10.220 7.622 1.016 1.00 0.00 C ATOM 451 CE LYS 1 35 11.729 7.679 0.842 1.00 0.00 C ATOM 452 NZ LYS 1 35 12.115 8.270 -0.469 1.00 0.00 N ATOM 0 H LYS 1 35 6.953 10.731 4.227 1.00 0.00 H new ATOM 0 HA LYS 1 35 7.198 9.348 1.795 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 9.677 10.325 2.792 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 9.642 8.622 3.205 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 8.734 9.069 0.461 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 10.328 9.746 0.726 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 9.978 7.063 1.920 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 9.777 7.082 0.179 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 12.165 8.268 1.648 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 12.142 6.673 0.923 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 13.065 7.938 -0.733 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 11.431 7.978 -1.196 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 12.119 9.307 -0.394 1.00 0.00 H new ATOM 466 N LEU 1 36 7.580 7.095 3.230 1.00 0.00 N ATOM 467 CA LEU 1 36 7.246 5.906 4.006 1.00 0.00 C ATOM 468 C LEU 1 36 8.340 5.647 5.039 1.00 0.00 C ATOM 469 O LEU 1 36 9.435 6.200 4.935 1.00 0.00 O ATOM 470 CB LEU 1 36 7.092 4.692 3.088 1.00 0.00 C ATOM 471 CG LEU 1 36 8.260 4.454 2.128 1.00 0.00 C ATOM 472 CD1 LEU 1 36 8.568 2.968 2.017 1.00 0.00 C ATOM 473 CD2 LEU 1 36 7.951 5.039 0.758 1.00 0.00 C ATOM 0 H LEU 1 36 8.056 6.902 2.349 1.00 0.00 H new ATOM 0 HA LEU 1 36 6.298 6.072 4.517 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 6.962 3.803 3.705 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 6.180 4.811 2.504 1.00 0.00 H new ATOM 0 HG LEU 1 36 9.141 4.957 2.527 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 9.401 2.819 1.330 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 8.833 2.577 2.999 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 7.690 2.442 1.642 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 8.792 4.861 0.088 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 7.057 4.564 0.353 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 7.782 6.112 0.850 1.00 0.00 H new ATOM 485 N THR 1 37 8.049 4.822 6.039 1.00 0.00 N ATOM 486 CA THR 1 37 9.033 4.530 7.078 1.00 0.00 C ATOM 487 C THR 1 37 9.973 3.402 6.670 1.00 0.00 C ATOM 488 O THR 1 37 9.625 2.542 5.861 1.00 0.00 O ATOM 489 CB THR 1 37 8.349 4.164 8.391 1.00 0.00 C ATOM 490 OG1 THR 1 37 7.354 3.179 8.183 1.00 0.00 O ATOM 491 CG2 THR 1 37 7.707 5.347 9.075 1.00 0.00 C ATOM 0 H THR 1 37 7.153 4.349 6.153 1.00 0.00 H new ATOM 0 HA THR 1 37 9.621 5.438 7.215 1.00 0.00 H new ATOM 0 HB THR 1 37 9.140 3.783 9.037 1.00 0.00 H new ATOM 0 HG1 THR 1 37 6.892 3.354 7.336 1.00 0.00 H new ATOM 0 HG21 THR 1 37 7.238 5.020 10.003 1.00 0.00 H new ATOM 0 HG22 THR 1 37 8.467 6.096 9.297 1.00 0.00 H new ATOM 0 HG23 THR 1 37 6.952 5.780 8.420 1.00 0.00 H new ATOM 499 N PRO 1 38 11.186 3.396 7.247 1.00 0.00 N ATOM 500 CA PRO 1 38 12.200 2.374 6.970 1.00 0.00 C ATOM 501 C PRO 1 38 11.636 0.958 7.023 1.00 0.00 C ATOM 502 O PRO 1 38 10.750 0.660 7.824 1.00 0.00 O ATOM 503 CB PRO 1 38 13.206 2.585 8.100 1.00 0.00 C ATOM 504 CG PRO 1 38 13.113 4.036 8.408 1.00 0.00 C ATOM 505 CD PRO 1 38 11.664 4.392 8.229 1.00 0.00 C ATOM 0 HA PRO 1 38 12.619 2.471 5.968 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 12.960 1.977 8.971 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 14.214 2.307 7.792 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 13.445 4.243 9.425 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 13.746 4.620 7.740 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 11.115 4.326 9.168 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 11.543 5.410 7.860 1.00 0.00 H new ATOM 513 N GLY 1 39 12.160 0.088 6.167 1.00 0.00 N ATOM 514 CA GLY 1 39 11.703 -1.290 6.133 1.00 0.00 C ATOM 515 C GLY 1 39 10.391 -1.464 5.388 1.00 0.00 C ATOM 516 O GLY 1 39 9.888 -2.580 5.265 1.00 0.00 O ATOM 0 H GLY 1 39 12.894 0.312 5.495 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 12.467 -1.908 5.661 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 11.585 -1.653 7.154 1.00 0.00 H new ATOM 520 N SER 1 40 9.835 -0.364 4.887 1.00 0.00 N ATOM 521 CA SER 1 40 8.576 -0.415 4.153 1.00 0.00 C ATOM 522 C SER 1 40 8.825 -0.620 2.662 1.00 0.00 C ATOM 523 O SER 1 40 9.467 0.204 2.011 1.00 0.00 O ATOM 524 CB SER 1 40 7.778 0.869 4.379 1.00 0.00 C ATOM 525 OG SER 1 40 6.629 0.909 3.552 1.00 0.00 O ATOM 0 H SER 1 40 10.235 0.570 4.976 1.00 0.00 H new ATOM 0 HA SER 1 40 7.999 -1.261 4.526 1.00 0.00 H new ATOM 0 HB2 SER 1 40 7.479 0.935 5.425 1.00 0.00 H new ATOM 0 HB3 SER 1 40 8.409 1.734 4.172 1.00 0.00 H new ATOM 0 HG SER 1 40 6.041 1.637 3.844 1.00 0.00 H new ATOM 531 N GLN 1 41 8.315 -1.725 2.128 1.00 0.00 N ATOM 532 CA GLN 1 41 8.483 -2.038 0.713 1.00 0.00 C ATOM 533 C GLN 1 41 7.615 -1.132 -0.152 1.00 0.00 C ATOM 534 O GLN 1 41 7.958 -0.834 -1.296 1.00 0.00 O ATOM 535 CB GLN 1 41 8.132 -3.504 0.447 1.00 0.00 C ATOM 536 CG GLN 1 41 9.323 -4.444 0.551 1.00 0.00 C ATOM 537 CD GLN 1 41 9.312 -5.518 -0.518 1.00 0.00 C ATOM 538 OE1 GLN 1 41 10.129 -5.502 -1.439 1.00 0.00 O ATOM 539 NE2 GLN 1 41 8.383 -6.460 -0.402 1.00 0.00 N ATOM 0 H GLN 1 41 7.782 -2.418 2.653 1.00 0.00 H new ATOM 0 HA GLN 1 41 9.528 -1.868 0.452 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 7.367 -3.820 1.156 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 7.698 -3.590 -0.549 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 10.245 -3.867 0.472 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 9.325 -4.915 1.534 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 7.726 -6.435 0.378 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 8.327 -7.209 -1.092 1.00 0.00 H new ATOM 548 N CYS 1 42 6.488 -0.700 0.401 1.00 0.00 N ATOM 549 CA CYS 1 42 5.568 0.170 -0.320 1.00 0.00 C ATOM 550 C CYS 1 42 4.730 0.993 0.647 1.00 0.00 C ATOM 551 O CYS 1 42 4.458 0.566 1.769 1.00 0.00 O ATOM 552 CB CYS 1 42 4.653 -0.660 -1.219 1.00 0.00 C ATOM 553 SG CYS 1 42 3.678 -1.911 -0.325 1.00 0.00 S ATOM 0 H CYS 1 42 6.189 -0.938 1.347 1.00 0.00 H new ATOM 0 HA CYS 1 42 6.156 0.851 -0.935 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 3.972 0.009 -1.745 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 5.258 -1.158 -1.976 1.00 0.00 H new ATOM 558 N ASN 1 43 4.320 2.173 0.202 1.00 0.00 N ATOM 559 CA ASN 1 43 3.507 3.056 1.027 1.00 0.00 C ATOM 560 C ASN 1 43 2.046 2.630 0.987 1.00 0.00 C ATOM 561 O ASN 1 43 1.308 2.807 1.957 1.00 0.00 O ATOM 562 CB ASN 1 43 3.642 4.505 0.555 1.00 0.00 C ATOM 563 CG ASN 1 43 3.486 4.643 -0.947 1.00 0.00 C ATOM 564 OD1 ASN 1 43 2.502 4.185 -1.526 1.00 0.00 O ATOM 565 ND2 ASN 1 43 4.462 5.277 -1.587 1.00 0.00 N ATOM 0 H ASN 1 43 4.537 2.541 -0.724 1.00 0.00 H new ATOM 0 HA ASN 1 43 3.864 2.986 2.054 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 2.890 5.118 1.053 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 4.617 4.892 0.853 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 4.413 5.400 -2.598 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 5.260 5.641 -1.067 1.00 0.00 H new ATOM 572 N TYR 1 44 1.638 2.062 -0.142 1.00 0.00 N ATOM 573 CA TYR 1 44 0.266 1.602 -0.319 1.00 0.00 C ATOM 574 C TYR 1 44 0.087 0.968 -1.695 1.00 0.00 C ATOM 575 O TYR 1 44 0.974 1.049 -2.545 1.00 0.00 O ATOM 576 CB TYR 1 44 -0.718 2.763 -0.144 1.00 0.00 C ATOM 577 CG TYR 1 44 -0.650 3.792 -1.250 1.00 0.00 C ATOM 578 CD1 TYR 1 44 -1.179 3.522 -2.506 1.00 0.00 C ATOM 579 CD2 TYR 1 44 -0.058 5.030 -1.040 1.00 0.00 C ATOM 580 CE1 TYR 1 44 -1.120 4.455 -3.521 1.00 0.00 C ATOM 581 CE2 TYR 1 44 0.006 5.971 -2.048 1.00 0.00 C ATOM 582 CZ TYR 1 44 -0.526 5.679 -3.288 1.00 0.00 C ATOM 583 OH TYR 1 44 -0.465 6.613 -4.296 1.00 0.00 O ATOM 0 H TYR 1 44 2.240 1.909 -0.951 1.00 0.00 H new ATOM 0 HA TYR 1 44 0.059 0.850 0.443 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 -1.731 2.364 -0.093 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 -0.521 3.254 0.809 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 -1.645 2.565 -2.691 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 0.360 5.261 -0.071 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 -1.536 4.229 -4.492 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 0.469 6.930 -1.868 1.00 0.00 H new ATOM 0 HH TYR 1 44 -0.017 7.420 -3.967 1.00 0.00 H new ATOM 593 N GLY 1 45 -1.062 0.338 -1.908 1.00 0.00 N ATOM 594 CA GLY 1 45 -1.329 -0.296 -3.185 1.00 0.00 C ATOM 595 C GLY 1 45 -2.075 -1.607 -3.039 1.00 0.00 C ATOM 596 O GLY 1 45 -2.354 -2.051 -1.925 1.00 0.00 O ATOM 0 H GLY 1 45 -1.812 0.255 -1.221 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -1.912 0.382 -3.809 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -0.386 -0.474 -3.702 1.00 0.00 H new ATOM 600 N GLU 1 46 -2.400 -2.224 -4.169 1.00 0.00 N ATOM 601 CA GLU 1 46 -3.121 -3.493 -4.169 1.00 0.00 C ATOM 602 C GLU 1 46 -2.359 -4.564 -3.392 1.00 0.00 C ATOM 603 O GLU 1 46 -2.948 -5.321 -2.621 1.00 0.00 O ATOM 604 CB GLU 1 46 -3.361 -3.964 -5.605 1.00 0.00 C ATOM 605 CG GLU 1 46 -4.658 -3.446 -6.206 1.00 0.00 C ATOM 606 CD GLU 1 46 -4.495 -3.001 -7.646 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -4.619 -3.855 -8.549 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -4.244 -1.798 -7.871 1.00 0.00 O ATOM 0 H GLU 1 46 -2.176 -1.867 -5.098 1.00 0.00 H new ATOM 0 HA GLU 1 46 -4.080 -3.333 -3.676 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -2.527 -3.642 -6.229 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -3.371 -5.054 -5.624 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -5.416 -4.228 -6.154 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -5.022 -2.609 -5.610 1.00 0.00 H new ATOM 615 N CYS 1 47 -1.048 -4.625 -3.605 1.00 0.00 N ATOM 616 CA CYS 1 47 -0.208 -5.609 -2.927 1.00 0.00 C ATOM 617 C CYS 1 47 0.353 -5.063 -1.615 1.00 0.00 C ATOM 618 O CYS 1 47 0.992 -5.791 -0.859 1.00 0.00 O ATOM 619 CB CYS 1 47 0.949 -6.035 -3.837 1.00 0.00 C ATOM 620 SG CYS 1 47 0.572 -7.443 -4.931 1.00 0.00 S ATOM 0 H CYS 1 47 -0.544 -4.006 -4.240 1.00 0.00 H new ATOM 0 HA CYS 1 47 -0.835 -6.471 -2.699 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 1.244 -5.184 -4.450 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 1.807 -6.293 -3.216 1.00 0.00 H new ATOM 625 N CYS 1 48 0.125 -3.781 -1.350 1.00 0.00 N ATOM 626 CA CYS 1 48 0.628 -3.163 -0.130 1.00 0.00 C ATOM 627 C CYS 1 48 -0.210 -3.555 1.082 1.00 0.00 C ATOM 628 O CYS 1 48 -1.440 -3.516 1.043 1.00 0.00 O ATOM 629 CB CYS 1 48 0.657 -1.642 -0.278 1.00 0.00 C ATOM 630 SG CYS 1 48 2.129 -0.855 0.452 1.00 0.00 S ATOM 0 H CYS 1 48 -0.401 -3.154 -1.959 1.00 0.00 H new ATOM 0 HA CYS 1 48 1.643 -3.527 0.031 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 0.610 -1.389 -1.337 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 -0.235 -1.225 0.189 1.00 0.00 H new ATOM 635 N ASP 1 49 0.473 -3.929 2.159 1.00 0.00 N ATOM 636 CA ASP 1 49 -0.192 -4.326 3.393 1.00 0.00 C ATOM 637 C ASP 1 49 0.608 -3.859 4.606 1.00 0.00 C ATOM 638 O ASP 1 49 1.651 -4.426 4.929 1.00 0.00 O ATOM 639 CB ASP 1 49 -0.371 -5.846 3.436 1.00 0.00 C ATOM 640 CG ASP 1 49 -1.790 -6.251 3.785 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -2.721 -5.479 3.475 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -1.970 -7.341 4.367 1.00 0.00 O ATOM 0 H ASP 1 49 1.491 -3.965 2.201 1.00 0.00 H new ATOM 0 HA ASP 1 49 -1.174 -3.855 3.420 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -0.103 -6.268 2.467 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 0.316 -6.269 4.169 1.00 0.00 H new ATOM 647 N GLN 1 50 0.114 -2.818 5.270 1.00 0.00 N ATOM 648 CA GLN 1 50 0.785 -2.269 6.444 1.00 0.00 C ATOM 649 C GLN 1 50 2.086 -1.575 6.049 1.00 0.00 C ATOM 650 O GLN 1 50 2.195 -0.351 6.125 1.00 0.00 O ATOM 651 CB GLN 1 50 1.069 -3.372 7.467 1.00 0.00 C ATOM 652 CG GLN 1 50 0.854 -2.936 8.907 1.00 0.00 C ATOM 653 CD GLN 1 50 -0.475 -3.405 9.466 1.00 0.00 C ATOM 654 OE1 GLN 1 50 -0.526 -4.304 10.305 1.00 0.00 O ATOM 655 NE2 GLN 1 50 -1.560 -2.795 9.003 1.00 0.00 N ATOM 0 H GLN 1 50 -0.749 -2.338 5.015 1.00 0.00 H new ATOM 0 HA GLN 1 50 0.122 -1.532 6.897 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 0.427 -4.227 7.255 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 2.098 -3.710 7.348 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 1.662 -3.326 9.525 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 0.905 -1.849 8.965 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 -1.471 -2.054 8.307 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 -2.482 -3.067 9.343 1.00 0.00 H new ATOM 664 N CYS 1 51 3.069 -2.364 5.626 1.00 0.00 N ATOM 665 CA CYS 1 51 4.360 -1.821 5.217 1.00 0.00 C ATOM 666 C CYS 1 51 5.165 -2.853 4.429 1.00 0.00 C ATOM 667 O CYS 1 51 6.396 -2.847 4.453 1.00 0.00 O ATOM 668 CB CYS 1 51 5.152 -1.357 6.443 1.00 0.00 C ATOM 669 SG CYS 1 51 5.167 0.451 6.674 1.00 0.00 S ATOM 0 H CYS 1 51 2.997 -3.379 5.558 1.00 0.00 H new ATOM 0 HA CYS 1 51 4.177 -0.965 4.568 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 4.730 -1.823 7.333 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 6.179 -1.710 6.354 1.00 0.00 H new ATOM 674 N ARG 1 52 4.460 -3.736 3.726 1.00 0.00 N ATOM 675 CA ARG 1 52 5.106 -4.772 2.927 1.00 0.00 C ATOM 676 C ARG 1 52 4.183 -5.244 1.808 1.00 0.00 C ATOM 677 O ARG 1 52 3.021 -4.843 1.740 1.00 0.00 O ATOM 678 CB ARG 1 52 5.505 -5.955 3.812 1.00 0.00 C ATOM 679 CG ARG 1 52 6.952 -5.906 4.276 1.00 0.00 C ATOM 680 CD ARG 1 52 7.846 -6.772 3.404 1.00 0.00 C ATOM 681 NE ARG 1 52 9.260 -6.601 3.729 1.00 0.00 N ATOM 682 CZ ARG 1 52 9.832 -7.086 4.828 1.00 0.00 C ATOM 683 NH1 ARG 1 52 9.115 -7.773 5.710 1.00 0.00 N ATOM 684 NH2 ARG 1 52 11.124 -6.885 5.047 1.00 0.00 N ATOM 0 H ARG 1 52 3.441 -3.754 3.694 1.00 0.00 H new ATOM 0 HA ARG 1 52 6.004 -4.347 2.479 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 4.853 -5.981 4.685 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 5.339 -6.882 3.262 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 7.308 -4.876 4.254 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 7.015 -6.243 5.311 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 7.570 -7.819 3.529 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 7.682 -6.522 2.356 1.00 0.00 H new ATOM 0 HE ARG 1 52 9.843 -6.079 3.075 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 8.121 -7.931 5.547 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 9.559 -8.143 6.551 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 11.680 -6.358 4.373 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 11.562 -7.257 5.890 1.00 0.00 H new ATOM 698 N PHE 1 53 4.703 -6.098 0.931 1.00 0.00 N ATOM 699 CA PHE 1 53 3.915 -6.618 -0.181 1.00 0.00 C ATOM 700 C PHE 1 53 3.190 -7.893 0.211 1.00 0.00 C ATOM 701 O PHE 1 53 3.718 -8.719 0.955 1.00 0.00 O ATOM 702 CB PHE 1 53 4.801 -6.893 -1.399 1.00 0.00 C ATOM 703 CG PHE 1 53 5.217 -5.654 -2.136 1.00 0.00 C ATOM 704 CD1 PHE 1 53 4.372 -4.559 -2.208 1.00 0.00 C ATOM 705 CD2 PHE 1 53 6.453 -5.583 -2.756 1.00 0.00 C ATOM 706 CE1 PHE 1 53 4.749 -3.420 -2.881 1.00 0.00 C ATOM 707 CE2 PHE 1 53 6.838 -4.442 -3.433 1.00 0.00 C ATOM 708 CZ PHE 1 53 5.985 -3.357 -3.495 1.00 0.00 C ATOM 0 H PHE 1 53 5.662 -6.443 0.969 1.00 0.00 H new ATOM 0 HA PHE 1 53 3.179 -5.857 -0.439 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 5.693 -7.428 -1.074 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 4.266 -7.550 -2.085 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 3.405 -4.600 -1.730 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 7.123 -6.429 -2.710 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 4.079 -2.575 -2.929 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 7.804 -4.398 -3.913 1.00 0.00 H new ATOM 0 HZ PHE 1 53 6.283 -2.463 -4.022 1.00 0.00 H new ATOM 718 N LYS 1 54 1.981 -8.056 -0.310 1.00 0.00 N ATOM 719 CA LYS 1 54 1.195 -9.244 -0.026 1.00 0.00 C ATOM 720 C LYS 1 54 1.844 -10.455 -0.685 1.00 0.00 C ATOM 721 O LYS 1 54 1.931 -10.529 -1.909 1.00 0.00 O ATOM 722 CB LYS 1 54 -0.241 -9.067 -0.524 1.00 0.00 C ATOM 723 CG LYS 1 54 -1.256 -8.901 0.595 1.00 0.00 C ATOM 724 CD LYS 1 54 -2.482 -8.135 0.126 1.00 0.00 C ATOM 725 CE LYS 1 54 -2.385 -6.658 0.472 1.00 0.00 C ATOM 726 NZ LYS 1 54 -3.709 -6.085 0.838 1.00 0.00 N ATOM 0 H LYS 1 54 1.527 -7.383 -0.928 1.00 0.00 H new ATOM 0 HA LYS 1 54 1.163 -9.401 1.052 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -0.286 -8.195 -1.176 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -0.517 -9.931 -1.128 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -1.557 -9.882 0.963 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -0.795 -8.375 1.431 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -2.593 -8.250 -0.952 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -3.375 -8.559 0.586 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -1.690 -6.524 1.301 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -1.976 -6.112 -0.378 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -3.916 -5.271 0.225 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -4.446 -6.808 0.715 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -3.691 -5.775 1.831 1.00 0.00 H new ATOM 740 N LYS 1 55 2.315 -11.391 0.135 1.00 0.00 N ATOM 741 CA LYS 1 55 2.975 -12.596 -0.362 1.00 0.00 C ATOM 742 C LYS 1 55 2.298 -13.126 -1.620 1.00 0.00 C ATOM 743 O LYS 1 55 1.078 -13.314 -1.652 1.00 0.00 O ATOM 744 CB LYS 1 55 2.983 -13.678 0.719 1.00 0.00 C ATOM 745 CG LYS 1 55 3.752 -14.928 0.323 1.00 0.00 C ATOM 746 CD LYS 1 55 5.163 -14.917 0.888 1.00 0.00 C ATOM 747 CE LYS 1 55 6.178 -14.476 -0.154 1.00 0.00 C ATOM 748 NZ LYS 1 55 6.550 -13.043 0.003 1.00 0.00 N ATOM 0 H LYS 1 55 2.251 -11.338 1.152 1.00 0.00 H new ATOM 0 HA LYS 1 55 4.001 -12.331 -0.617 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 3.419 -13.267 1.630 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 1.955 -13.953 0.954 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 3.222 -15.811 0.681 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 3.795 -15.001 -0.764 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 5.207 -14.247 1.746 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 5.419 -15.913 1.248 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 7.072 -15.094 -0.073 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 5.768 -14.637 -1.151 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 6.633 -12.601 -0.935 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 5.817 -12.552 0.554 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 7.461 -12.973 0.500 1.00 0.00 H new ATOM 762 N ALA 1 56 3.099 -13.362 -2.660 1.00 0.00 N ATOM 763 CA ALA 1 56 2.579 -13.870 -3.921 1.00 0.00 C ATOM 764 C ALA 1 56 1.531 -14.935 -3.670 1.00 0.00 C ATOM 765 O ALA 1 56 1.700 -15.800 -2.810 1.00 0.00 O ATOM 766 CB ALA 1 56 3.691 -14.431 -4.786 1.00 0.00 C ATOM 0 H ALA 1 56 4.107 -13.209 -2.650 1.00 0.00 H new ATOM 0 HA ALA 1 56 2.120 -13.037 -4.452 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 3.272 -14.803 -5.721 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 4.417 -13.646 -5.000 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 4.185 -15.248 -4.259 1.00 0.00 H new ATOM 772 N GLY 1 57 0.440 -14.849 -4.399 1.00 0.00 N ATOM 773 CA GLY 1 57 -0.639 -15.796 -4.215 1.00 0.00 C ATOM 774 C GLY 1 57 -1.854 -15.130 -3.613 1.00 0.00 C ATOM 775 O GLY 1 57 -2.952 -15.688 -3.628 1.00 0.00 O ATOM 0 H GLY 1 57 0.277 -14.143 -5.116 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -0.903 -16.241 -5.174 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -0.308 -16.608 -3.567 1.00 0.00 H new ATOM 779 N THR 1 58 -1.660 -13.917 -3.095 1.00 0.00 N ATOM 780 CA THR 1 58 -2.750 -13.154 -2.511 1.00 0.00 C ATOM 781 C THR 1 58 -3.587 -12.530 -3.622 1.00 0.00 C ATOM 782 O THR 1 58 -3.087 -11.717 -4.400 1.00 0.00 O ATOM 783 CB THR 1 58 -2.205 -12.061 -1.592 1.00 0.00 C ATOM 784 OG1 THR 1 58 -1.484 -12.625 -0.510 1.00 0.00 O ATOM 785 CG2 THR 1 58 -3.290 -11.185 -1.015 1.00 0.00 C ATOM 0 H THR 1 58 -0.756 -13.446 -3.071 1.00 0.00 H new ATOM 0 HA THR 1 58 -3.374 -13.824 -1.919 1.00 0.00 H new ATOM 0 HB THR 1 58 -1.554 -11.450 -2.217 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -0.597 -12.906 -0.819 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -2.842 -10.428 -0.371 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -3.833 -10.698 -1.825 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -3.979 -11.796 -0.432 1.00 0.00 H new ATOM 793 N VAL 1 59 -4.851 -12.923 -3.710 1.00 0.00 N ATOM 794 CA VAL 1 59 -5.729 -12.404 -4.749 1.00 0.00 C ATOM 795 C VAL 1 59 -6.181 -10.977 -4.453 1.00 0.00 C ATOM 796 O VAL 1 59 -6.803 -10.713 -3.424 1.00 0.00 O ATOM 797 CB VAL 1 59 -6.977 -13.291 -4.939 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -7.790 -13.354 -3.655 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -7.829 -12.780 -6.092 1.00 0.00 C ATOM 0 H VAL 1 59 -5.288 -13.595 -3.079 1.00 0.00 H new ATOM 0 HA VAL 1 59 -5.141 -12.408 -5.667 1.00 0.00 H new ATOM 0 HB VAL 1 59 -6.646 -14.300 -5.183 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -8.666 -13.984 -3.809 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -7.178 -13.773 -2.857 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -8.110 -12.350 -3.377 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -8.704 -13.419 -6.209 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -8.151 -11.760 -5.883 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -7.243 -12.794 -7.011 1.00 0.00 H new ATOM 809 N CYS 1 60 -5.874 -10.065 -5.370 1.00 0.00 N ATOM 810 CA CYS 1 60 -6.262 -8.664 -5.213 1.00 0.00 C ATOM 811 C CYS 1 60 -7.401 -8.292 -6.162 1.00 0.00 C ATOM 812 O CYS 1 60 -8.132 -7.331 -5.920 1.00 0.00 O ATOM 813 CB CYS 1 60 -5.072 -7.740 -5.471 1.00 0.00 C ATOM 814 SG CYS 1 60 -3.504 -8.325 -4.765 1.00 0.00 S ATOM 0 H CYS 1 60 -5.360 -10.268 -6.227 1.00 0.00 H new ATOM 0 HA CYS 1 60 -6.604 -8.538 -4.186 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -4.949 -7.617 -6.547 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -5.296 -6.755 -5.061 1.00 0.00 H new ATOM 819 N ARG 1 61 -7.537 -9.046 -7.249 1.00 0.00 N ATOM 820 CA ARG 1 61 -8.578 -8.781 -8.241 1.00 0.00 C ATOM 821 C ARG 1 61 -9.039 -10.068 -8.922 1.00 0.00 C ATOM 822 O ARG 1 61 -8.575 -11.162 -8.597 1.00 0.00 O ATOM 823 CB ARG 1 61 -8.066 -7.789 -9.295 1.00 0.00 C ATOM 824 CG ARG 1 61 -8.914 -6.530 -9.412 1.00 0.00 C ATOM 825 CD ARG 1 61 -8.957 -5.989 -10.840 1.00 0.00 C ATOM 826 NE ARG 1 61 -7.710 -6.212 -11.575 1.00 0.00 N ATOM 827 CZ ARG 1 61 -6.532 -5.704 -11.219 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -6.434 -4.906 -10.164 1.00 0.00 N ATOM 829 NH2 ARG 1 61 -5.449 -5.986 -11.931 1.00 0.00 N ATOM 0 H ARG 1 61 -6.941 -9.845 -7.466 1.00 0.00 H new ATOM 0 HA ARG 1 61 -9.432 -8.347 -7.720 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -7.043 -7.506 -9.048 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -8.034 -8.286 -10.264 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -9.929 -6.746 -9.077 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -8.515 -5.763 -8.748 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -9.779 -6.463 -11.377 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -9.169 -4.920 -10.811 1.00 0.00 H new ATOM 0 HE ARG 1 61 -7.746 -6.793 -12.412 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -7.265 -4.677 -9.619 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 -5.528 -4.521 -9.898 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 -5.520 -6.591 -12.749 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 -4.545 -5.598 -11.660 1.00 0.00 H new ATOM 843 N ILE 1 62 -9.952 -9.921 -9.874 1.00 0.00 N ATOM 844 CA ILE 1 62 -10.483 -11.050 -10.623 1.00 0.00 C ATOM 845 C ILE 1 62 -11.510 -10.570 -11.632 1.00 0.00 C ATOM 846 O ILE 1 62 -12.360 -9.736 -11.322 1.00 0.00 O ATOM 847 CB ILE 1 62 -11.127 -12.106 -9.704 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -11.716 -13.255 -10.529 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -12.201 -11.471 -8.840 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -10.687 -14.014 -11.336 1.00 0.00 C ATOM 0 H ILE 1 62 -10.343 -9.019 -10.147 1.00 0.00 H new ATOM 0 HA ILE 1 62 -9.643 -11.518 -11.137 1.00 0.00 H new ATOM 0 HB ILE 1 62 -10.352 -12.513 -9.054 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -12.223 -13.949 -9.859 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -12.472 -12.855 -11.205 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -12.646 -12.230 -8.197 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -11.757 -10.688 -8.225 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -12.972 -11.038 -9.477 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -11.178 -14.812 -11.894 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -10.196 -13.334 -12.032 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -9.944 -14.445 -10.665 1.00 0.00 H new ATOM 862 N ALA 1 63 -11.422 -11.095 -12.842 1.00 0.00 N ATOM 863 CA ALA 1 63 -12.342 -10.710 -13.898 1.00 0.00 C ATOM 864 C ALA 1 63 -13.777 -11.120 -13.546 1.00 0.00 C ATOM 865 O ALA 1 63 -14.463 -10.404 -12.817 1.00 0.00 O ATOM 866 CB ALA 1 63 -11.888 -11.280 -15.237 1.00 0.00 C ATOM 0 H ALA 1 63 -10.725 -11.787 -13.117 1.00 0.00 H new ATOM 0 HA ALA 1 63 -12.336 -9.624 -13.992 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -12.589 -10.981 -16.016 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -10.895 -10.899 -15.477 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -11.854 -12.368 -15.177 1.00 0.00 H new ATOM 872 N ARG 1 64 -14.229 -12.269 -14.045 1.00 0.00 N ATOM 873 CA ARG 1 64 -15.578 -12.743 -13.749 1.00 0.00 C ATOM 874 C ARG 1 64 -15.606 -14.259 -13.576 1.00 0.00 C ATOM 875 O ARG 1 64 -15.890 -14.993 -14.521 1.00 0.00 O ATOM 876 CB ARG 1 64 -16.540 -12.330 -14.865 1.00 0.00 C ATOM 877 CG ARG 1 64 -16.933 -10.862 -14.817 1.00 0.00 C ATOM 878 CD ARG 1 64 -17.755 -10.546 -13.578 1.00 0.00 C ATOM 879 NE ARG 1 64 -18.265 -9.177 -13.595 1.00 0.00 N ATOM 880 CZ ARG 1 64 -19.324 -8.789 -14.302 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -19.987 -9.662 -15.050 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -19.721 -7.524 -14.260 1.00 0.00 N ATOM 0 H ARG 1 64 -13.686 -12.884 -14.651 1.00 0.00 H new ATOM 0 HA ARG 1 64 -15.895 -12.286 -12.811 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -16.078 -12.542 -15.829 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -17.440 -12.941 -14.802 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -16.036 -10.243 -14.827 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -17.505 -10.608 -15.709 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -18.590 -11.243 -13.509 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -17.142 -10.694 -12.689 1.00 0.00 H new ATOM 0 HE ARG 1 64 -17.781 -8.477 -13.032 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -19.686 -10.636 -15.085 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -20.798 -9.359 -15.590 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -19.215 -6.849 -13.686 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -20.532 -7.226 -14.801 1.00 0.00 H new ATOM 896 N GLY 1 65 -15.327 -14.728 -12.366 1.00 0.00 N ATOM 897 CA GLY 1 65 -15.336 -16.155 -12.113 1.00 0.00 C ATOM 898 C GLY 1 65 -14.030 -16.646 -11.531 1.00 0.00 C ATOM 899 O GLY 1 65 -13.745 -16.434 -10.353 1.00 0.00 O ATOM 0 H GLY 1 65 -15.096 -14.148 -11.559 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -16.149 -16.394 -11.427 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -15.538 -16.685 -13.044 1.00 0.00 H new ATOM 903 N ASP 1 66 -13.231 -17.300 -12.365 1.00 0.00 N ATOM 904 CA ASP 1 66 -11.939 -17.821 -11.935 1.00 0.00 C ATOM 905 C ASP 1 66 -11.230 -18.550 -13.071 1.00 0.00 C ATOM 906 O ASP 1 66 -11.418 -19.750 -13.273 1.00 0.00 O ATOM 907 CB ASP 1 66 -12.109 -18.758 -10.737 1.00 0.00 C ATOM 908 CG ASP 1 66 -11.023 -18.569 -9.696 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -10.943 -17.466 -9.115 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -10.251 -19.523 -9.462 1.00 0.00 O ATOM 0 H ASP 1 66 -13.455 -17.482 -13.343 1.00 0.00 H new ATOM 0 HA ASP 1 66 -11.323 -16.973 -11.637 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -13.082 -18.584 -10.278 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -12.100 -19.791 -11.083 1.00 0.00 H new ATOM 915 N TRP 1 67 -10.408 -17.809 -13.802 1.00 0.00 N ATOM 916 CA TRP 1 67 -9.650 -18.362 -14.920 1.00 0.00 C ATOM 917 C TRP 1 67 -8.160 -18.181 -14.681 1.00 0.00 C ATOM 918 O TRP 1 67 -7.424 -19.140 -14.450 1.00 0.00 O ATOM 919 CB TRP 1 67 -10.045 -17.668 -16.230 1.00 0.00 C ATOM 920 CG TRP 1 67 -10.969 -16.500 -16.042 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -10.694 -15.308 -15.423 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -12.327 -16.417 -16.476 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -11.800 -14.503 -15.443 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -12.814 -15.157 -16.089 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -13.176 -17.289 -17.157 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -14.112 -14.748 -16.361 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -14.468 -16.883 -17.428 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -14.926 -15.621 -17.031 1.00 0.00 C ATOM 0 H TRP 1 67 -10.247 -16.815 -13.640 1.00 0.00 H new ATOM 0 HA TRP 1 67 -9.878 -19.425 -14.998 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -9.142 -17.327 -16.736 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -10.523 -18.396 -16.886 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -9.743 -15.043 -14.984 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -11.859 -13.567 -15.042 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -12.830 -18.264 -17.467 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -14.467 -13.775 -16.055 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -15.135 -17.549 -17.954 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -15.941 -15.331 -17.258 1.00 0.00 H new ATOM 939 N ASN 1 68 -7.740 -16.929 -14.732 1.00 0.00 N ATOM 940 CA ASN 1 68 -6.350 -16.558 -14.517 1.00 0.00 C ATOM 941 C ASN 1 68 -6.195 -15.910 -13.152 1.00 0.00 C ATOM 942 O ASN 1 68 -5.152 -16.022 -12.508 1.00 0.00 O ATOM 943 CB ASN 1 68 -5.885 -15.580 -15.594 1.00 0.00 C ATOM 944 CG ASN 1 68 -6.553 -15.821 -16.936 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -5.938 -16.352 -17.861 1.00 0.00 O ATOM 946 ND2 ASN 1 68 -7.820 -15.430 -17.049 1.00 0.00 N ATOM 0 H ASN 1 68 -8.354 -16.138 -14.924 1.00 0.00 H new ATOM 0 HA ASN 1 68 -5.740 -17.460 -14.568 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -6.093 -14.561 -15.267 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -4.804 -15.663 -15.711 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -8.319 -15.566 -17.928 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -8.292 -14.994 -16.257 1.00 0.00 H new ATOM 953 N ASP 1 69 -7.254 -15.232 -12.720 1.00 0.00 N ATOM 954 CA ASP 1 69 -7.264 -14.562 -11.433 1.00 0.00 C ATOM 955 C ASP 1 69 -6.210 -13.477 -11.353 1.00 0.00 C ATOM 956 O ASP 1 69 -5.324 -13.377 -12.202 1.00 0.00 O ATOM 957 CB ASP 1 69 -7.011 -15.561 -10.317 1.00 0.00 C ATOM 958 CG ASP 1 69 -8.253 -16.344 -9.938 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -8.814 -17.029 -10.818 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -8.664 -16.271 -8.761 1.00 0.00 O ATOM 0 H ASP 1 69 -8.120 -15.134 -13.250 1.00 0.00 H new ATOM 0 HA ASP 1 69 -8.248 -14.106 -11.320 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -6.230 -16.255 -10.627 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -6.638 -15.032 -9.440 1.00 0.00 H new ATOM 965 N ASP 1 70 -6.302 -12.690 -10.294 1.00 0.00 N ATOM 966 CA ASP 1 70 -5.351 -11.629 -10.041 1.00 0.00 C ATOM 967 C ASP 1 70 -4.631 -11.927 -8.745 1.00 0.00 C ATOM 968 O ASP 1 70 -5.264 -12.066 -7.701 1.00 0.00 O ATOM 969 CB ASP 1 70 -6.055 -10.279 -9.965 1.00 0.00 C ATOM 970 CG ASP 1 70 -5.076 -9.127 -9.888 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -3.982 -9.321 -9.320 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -5.403 -8.034 -10.391 1.00 0.00 O ATOM 0 H ASP 1 70 -7.036 -12.771 -9.590 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.633 -11.579 -10.859 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -6.693 -10.154 -10.840 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -6.706 -10.259 -9.091 1.00 0.00 H new ATOM 977 N TYR 1 71 -3.317 -12.083 -8.815 1.00 0.00 N ATOM 978 CA TYR 1 71 -2.560 -12.434 -7.629 1.00 0.00 C ATOM 979 C TYR 1 71 -1.302 -11.614 -7.436 1.00 0.00 C ATOM 980 O TYR 1 71 -0.604 -11.268 -8.387 1.00 0.00 O ATOM 981 CB TYR 1 71 -2.190 -13.903 -7.696 1.00 0.00 C ATOM 982 CG TYR 1 71 -3.343 -14.805 -7.378 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -3.776 -14.937 -6.076 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -3.997 -15.517 -8.372 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -4.829 -15.757 -5.754 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -5.057 -16.343 -8.069 1.00 0.00 C ATOM 987 CZ TYR 1 71 -5.473 -16.463 -6.755 1.00 0.00 C ATOM 988 OH TYR 1 71 -6.530 -17.287 -6.442 1.00 0.00 O ATOM 0 H TYR 1 71 -2.764 -11.974 -9.665 1.00 0.00 H new ATOM 0 HA TYR 1 71 -3.203 -12.219 -6.775 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -1.818 -14.134 -8.694 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -1.376 -14.101 -6.998 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -3.277 -14.384 -5.294 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -3.671 -15.423 -9.397 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -5.152 -15.850 -4.728 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -5.559 -16.893 -8.851 1.00 0.00 H new ATOM 0 HH TYR 1 71 -7.286 -17.088 -7.033 1.00 0.00 H new ATOM 998 N CYS 1 72 -1.016 -11.342 -6.171 1.00 0.00 N ATOM 999 CA CYS 1 72 0.167 -10.596 -5.789 1.00 0.00 C ATOM 1000 C CYS 1 72 1.421 -11.354 -6.211 1.00 0.00 C ATOM 1001 O CYS 1 72 1.369 -12.558 -6.470 1.00 0.00 O ATOM 1002 CB CYS 1 72 0.176 -10.391 -4.275 1.00 0.00 C ATOM 1003 SG CYS 1 72 -0.399 -8.755 -3.725 1.00 0.00 S ATOM 0 H CYS 1 72 -1.598 -11.633 -5.385 1.00 0.00 H new ATOM 0 HA CYS 1 72 0.153 -9.626 -6.287 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -0.451 -11.155 -3.815 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 1.190 -10.547 -3.907 1.00 0.00 H new ATOM 1008 N THR 1 73 2.544 -10.649 -6.273 1.00 0.00 N ATOM 1009 CA THR 1 73 3.808 -11.264 -6.660 1.00 0.00 C ATOM 1010 C THR 1 73 4.864 -11.105 -5.566 1.00 0.00 C ATOM 1011 O THR 1 73 5.992 -11.576 -5.711 1.00 0.00 O ATOM 1012 CB THR 1 73 4.313 -10.650 -7.966 1.00 0.00 C ATOM 1013 OG1 THR 1 73 4.719 -9.308 -7.764 1.00 0.00 O ATOM 1014 CG2 THR 1 73 3.274 -10.654 -9.066 1.00 0.00 C ATOM 0 H THR 1 73 2.606 -9.653 -6.061 1.00 0.00 H new ATOM 0 HA THR 1 73 3.631 -12.330 -6.806 1.00 0.00 H new ATOM 0 HB THR 1 73 5.152 -11.274 -8.276 1.00 0.00 H new ATOM 0 HG1 THR 1 73 4.582 -8.797 -8.589 1.00 0.00 H new ATOM 0 HG21 THR 1 73 3.695 -10.205 -9.966 1.00 0.00 H new ATOM 0 HG22 THR 1 73 2.973 -11.680 -9.279 1.00 0.00 H new ATOM 0 HG23 THR 1 73 2.404 -10.080 -8.747 1.00 0.00 H new ATOM 1022 N GLY 1 74 4.495 -10.442 -4.472 1.00 0.00 N ATOM 1023 CA GLY 1 74 5.427 -10.239 -3.378 1.00 0.00 C ATOM 1024 C GLY 1 74 6.692 -9.522 -3.812 1.00 0.00 C ATOM 1025 O GLY 1 74 7.718 -9.597 -3.136 1.00 0.00 O ATOM 0 H GLY 1 74 3.568 -10.043 -4.325 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 4.939 -9.662 -2.592 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 5.691 -11.205 -2.947 1.00 0.00 H new ATOM 1029 N LYS 1 75 6.620 -8.826 -4.942 1.00 0.00 N ATOM 1030 CA LYS 1 75 7.770 -8.095 -5.463 1.00 0.00 C ATOM 1031 C LYS 1 75 7.369 -6.707 -5.967 1.00 0.00 C ATOM 1032 O LYS 1 75 8.178 -6.004 -6.572 1.00 0.00 O ATOM 1033 CB LYS 1 75 8.425 -8.889 -6.596 1.00 0.00 C ATOM 1034 CG LYS 1 75 7.567 -8.981 -7.848 1.00 0.00 C ATOM 1035 CD LYS 1 75 8.346 -8.582 -9.091 1.00 0.00 C ATOM 1036 CE LYS 1 75 7.977 -9.452 -10.282 1.00 0.00 C ATOM 1037 NZ LYS 1 75 6.616 -9.140 -10.798 1.00 0.00 N ATOM 0 H LYS 1 75 5.779 -8.753 -5.514 1.00 0.00 H new ATOM 0 HA LYS 1 75 8.482 -7.966 -4.648 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 9.377 -8.424 -6.851 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 8.647 -9.896 -6.242 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 7.196 -10.000 -7.962 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 6.696 -8.335 -7.741 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 8.147 -7.537 -9.327 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 9.415 -8.666 -8.895 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 8.708 -9.308 -11.077 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 8.024 -10.502 -9.993 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 6.403 -9.755 -11.609 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 5.915 -9.302 -10.047 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 6.578 -8.145 -11.098 1.00 0.00 H new ATOM 1051 N SER 1 76 6.121 -6.318 -5.718 1.00 0.00 N ATOM 1052 CA SER 1 76 5.628 -5.018 -6.153 1.00 0.00 C ATOM 1053 C SER 1 76 4.270 -4.716 -5.527 1.00 0.00 C ATOM 1054 O SER 1 76 3.621 -5.602 -4.972 1.00 0.00 O ATOM 1055 CB SER 1 76 5.518 -4.975 -7.678 1.00 0.00 C ATOM 1056 OG SER 1 76 5.873 -3.698 -8.180 1.00 0.00 O ATOM 0 H SER 1 76 5.436 -6.884 -5.218 1.00 0.00 H new ATOM 0 HA SER 1 76 6.338 -4.259 -5.825 1.00 0.00 H new ATOM 0 HB2 SER 1 76 6.168 -5.734 -8.114 1.00 0.00 H new ATOM 0 HB3 SER 1 76 4.499 -5.217 -7.979 1.00 0.00 H new ATOM 0 HG SER 1 76 5.796 -3.698 -9.157 1.00 0.00 H new ATOM 1062 N SER 1 77 3.847 -3.460 -5.623 1.00 0.00 N ATOM 1063 CA SER 1 77 2.564 -3.040 -5.069 1.00 0.00 C ATOM 1064 C SER 1 77 1.433 -3.250 -6.075 1.00 0.00 C ATOM 1065 O SER 1 77 0.316 -2.776 -5.870 1.00 0.00 O ATOM 1066 CB SER 1 77 2.625 -1.567 -4.653 1.00 0.00 C ATOM 1067 OG SER 1 77 2.259 -0.715 -5.726 1.00 0.00 O ATOM 0 H SER 1 77 4.373 -2.715 -6.079 1.00 0.00 H new ATOM 0 HA SER 1 77 2.359 -3.654 -4.192 1.00 0.00 H new ATOM 0 HB2 SER 1 77 1.959 -1.397 -3.807 1.00 0.00 H new ATOM 0 HB3 SER 1 77 3.633 -1.322 -4.319 1.00 0.00 H new ATOM 0 HG SER 1 77 2.305 0.219 -5.432 1.00 0.00 H new ATOM 1073 N ASP 1 78 1.727 -3.955 -7.166 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.730 -4.212 -8.198 1.00 0.00 C ATOM 1075 C ASP 1 78 0.308 -5.678 -8.205 1.00 0.00 C ATOM 1076 O ASP 1 78 1.114 -6.570 -7.942 1.00 0.00 O ATOM 1077 CB ASP 1 78 1.279 -3.823 -9.572 1.00 0.00 C ATOM 1078 CG ASP 1 78 1.086 -2.350 -9.875 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 0.061 -1.784 -9.441 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 1.961 -1.762 -10.546 1.00 0.00 O ATOM 0 H ASP 1 78 2.645 -4.356 -7.356 1.00 0.00 H new ATOM 0 HA ASP 1 78 -0.147 -3.605 -7.975 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 2.341 -4.065 -9.618 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 0.784 -4.417 -10.340 1.00 0.00 H new ATOM 1085 N CYS 1 79 -0.963 -5.913 -8.510 1.00 0.00 N ATOM 1086 CA CYS 1 79 -1.507 -7.265 -8.558 1.00 0.00 C ATOM 1087 C CYS 1 79 -2.035 -7.583 -9.958 1.00 0.00 C ATOM 1088 O CYS 1 79 -3.118 -7.136 -10.333 1.00 0.00 O ATOM 1089 CB CYS 1 79 -2.629 -7.413 -7.528 1.00 0.00 C ATOM 1090 SG CYS 1 79 -2.411 -8.824 -6.399 1.00 0.00 S ATOM 0 H CYS 1 79 -1.639 -5.181 -8.729 1.00 0.00 H new ATOM 0 HA CYS 1 79 -0.709 -7.969 -8.321 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -2.693 -6.497 -6.941 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.578 -7.523 -8.052 1.00 0.00 H new ATOM 1095 N PRO 1 80 -1.275 -8.357 -10.757 1.00 0.00 N ATOM 1096 CA PRO 1 80 -1.681 -8.721 -12.121 1.00 0.00 C ATOM 1097 C PRO 1 80 -2.859 -9.694 -12.145 1.00 0.00 C ATOM 1098 O PRO 1 80 -2.833 -10.729 -11.481 1.00 0.00 O ATOM 1099 CB PRO 1 80 -0.428 -9.389 -12.695 1.00 0.00 C ATOM 1100 CG PRO 1 80 0.297 -9.913 -11.505 1.00 0.00 C ATOM 1101 CD PRO 1 80 0.037 -8.929 -10.400 1.00 0.00 C ATOM 0 HA PRO 1 80 -2.021 -7.854 -12.687 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 -0.688 -10.191 -13.386 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 0.183 -8.676 -13.249 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -0.061 -10.907 -11.236 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 1.365 -10.002 -11.706 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 0.012 -9.416 -9.425 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 0.811 -8.163 -10.353 1.00 0.00 H new ATOM 1109 N TRP 1 81 -3.889 -9.348 -12.917 1.00 0.00 N ATOM 1110 CA TRP 1 81 -5.088 -10.186 -13.035 1.00 0.00 C ATOM 1111 C TRP 1 81 -5.028 -11.119 -14.239 1.00 0.00 C ATOM 1112 O TRP 1 81 -5.795 -12.076 -14.338 1.00 0.00 O ATOM 1113 CB TRP 1 81 -6.348 -9.326 -13.106 1.00 0.00 C ATOM 1114 CG TRP 1 81 -6.398 -8.363 -14.257 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 -5.375 -7.956 -15.068 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 -7.561 -7.678 -14.710 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 -5.841 -7.047 -15.988 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 -7.183 -6.863 -15.787 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -8.888 -7.680 -14.298 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 -8.092 -6.052 -16.457 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 -9.796 -6.878 -14.962 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 -9.393 -6.071 -16.033 1.00 0.00 C ATOM 0 H TRP 1 81 -3.920 -8.493 -13.472 1.00 0.00 H new ATOM 0 HA TRP 1 81 -5.125 -10.805 -12.139 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -7.215 -9.984 -13.165 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -6.438 -8.763 -12.177 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 -4.353 -8.298 -14.996 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 -5.279 -6.585 -16.703 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -9.205 -8.299 -13.472 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 -7.782 -5.429 -17.283 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 -10.830 -6.873 -14.651 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 -10.123 -5.452 -16.534 1.00 0.00 H new ATOM 1133 N ASN 1 82 -4.115 -10.832 -15.143 1.00 0.00 N ATOM 1134 CA ASN 1 82 -3.935 -11.635 -16.349 1.00 0.00 C ATOM 1135 C ASN 1 82 -5.191 -11.611 -17.215 1.00 0.00 C ATOM 1136 O ASN 1 82 -5.585 -12.631 -17.781 1.00 0.00 O ATOM 1137 CB ASN 1 82 -3.583 -13.077 -15.978 1.00 0.00 C ATOM 1138 CG ASN 1 82 -2.289 -13.173 -15.194 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -1.809 -12.182 -14.643 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -1.716 -14.370 -15.141 1.00 0.00 N ATOM 0 H ASN 1 82 -3.476 -10.040 -15.070 1.00 0.00 H new ATOM 0 HA ASN 1 82 -3.115 -11.204 -16.923 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -4.394 -13.506 -15.389 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -3.499 -13.673 -16.887 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -0.843 -14.495 -14.629 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -2.149 -15.164 -15.613 1.00 0.00 H new ATOM 1147 N HIS 1 83 -5.814 -10.442 -17.313 1.00 0.00 N ATOM 1148 CA HIS 1 83 -7.026 -10.286 -18.109 1.00 0.00 C ATOM 1149 C HIS 1 83 -6.943 -9.046 -18.993 1.00 0.00 C ATOM 1150 O HIS 1 83 -5.857 -8.432 -19.048 1.00 0.00 O ATOM 1151 CB HIS 1 83 -8.248 -10.194 -17.194 1.00 0.00 C ATOM 1152 CG HIS 1 83 -8.266 -11.240 -16.125 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -8.646 -10.986 -14.824 1.00 0.00 N ATOM 1154 CD2 HIS 1 83 -7.939 -12.553 -16.168 1.00 0.00 C ATOM 1155 CE1 HIS 1 83 -8.550 -12.096 -14.115 1.00 0.00 C ATOM 1156 NE2 HIS 1 83 -8.124 -13.060 -14.908 1.00 0.00 N ATOM 1157 OXT HIS 1 83 -7.964 -8.701 -19.624 1.00 0.00 O ATOM 0 H HIS 1 83 -5.500 -9.588 -16.851 1.00 0.00 H new ATOM 0 HA HIS 1 83 -7.125 -11.160 -18.753 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 -8.272 -9.208 -16.729 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 -9.152 -10.284 -17.796 1.00 0.00 H new ATOM 0 HD1 HIS 1 83 -8.953 -10.082 -14.465 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -7.596 -13.099 -17.034 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -8.781 -12.197 -13.065 1.00 0.00 H new