USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 585 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 Single : A 11 SER OG : rot 41:sc= 0.197 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -74:sc= 0.716 USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 23 MET CE :methyl -167:sc= -0.02 (180deg=-0.246) USER MOD Single : A 25 LYS NZ :NH3+ -116:sc= -0.211 (180deg=-0.327) USER MOD Single : A 26 THR OG1 : rot 85:sc= 1.2 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0404 USER MOD Single : A 30 GLN : amide:sc=-0.000764 K(o=-0.00076,f=-0.92) USER MOD Single : A 38 MET CE :methyl -166:sc= -0.174 (180deg=-0.566) USER MOD Single : A 40 ASN : amide:sc= -0.646 K(o=-0.65,f=-2.6!) USER MOD Single : A 42 SER OG : rot -77:sc= 1.41 USER MOD Single : A 45 SER OG : rot -74:sc= 1.13 USER MOD Single : A 49 LYS NZ :NH3+ 141:sc= 0.168 (180deg=-0.0568) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.0326 F(o=-1.4!,f=-0.033) USER MOD Single : A 53 SER OG : rot 180:sc= 0.0437 USER MOD Single : A 57 SER OG : rot 180:sc= 0.00739 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -166:sc= -0.0391 (180deg=-0.245) USER MOD Single : A 65 ASN :FLIP amide:sc= 0.708 F(o=-0.1,f=0.71) USER MOD Single : A 66 GLN :FLIP amide:sc= -0.244 F(o=-1.2,f=-0.24) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 71:sc= 1.18 USER MOD Single : A 84 MET CE :methyl -123:sc= -1.95 (180deg=-4.63!) USER MOD ----------------------------------------------------------------- ATOM 55 N SER A 11 7.327 -11.425 -5.501 1.00 0.00 N ATOM 56 CA SER A 11 8.294 -10.460 -4.972 1.00 0.00 C ATOM 57 C SER A 11 7.598 -9.274 -4.296 1.00 0.00 C ATOM 58 O SER A 11 8.215 -8.537 -3.527 1.00 0.00 O ATOM 59 CB SER A 11 9.203 -9.977 -6.097 1.00 0.00 C ATOM 60 OG SER A 11 9.776 -11.082 -6.774 1.00 0.00 O ATOM 0 HA SER A 11 8.893 -10.960 -4.211 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.633 -9.368 -6.798 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.991 -9.342 -5.691 1.00 0.00 H new ATOM 0 HG SER A 11 9.102 -11.785 -6.882 1.00 0.00 H new ATOM 66 N GLU A 12 6.309 -9.111 -4.582 1.00 0.00 N ATOM 67 CA GLU A 12 5.495 -8.045 -3.998 1.00 0.00 C ATOM 68 C GLU A 12 5.481 -8.149 -2.465 1.00 0.00 C ATOM 69 O GLU A 12 5.230 -7.171 -1.767 1.00 0.00 O ATOM 70 CB GLU A 12 4.055 -8.139 -4.520 1.00 0.00 C ATOM 71 CG GLU A 12 3.942 -8.472 -6.004 1.00 0.00 C ATOM 72 CD GLU A 12 4.657 -7.482 -6.893 1.00 0.00 C ATOM 73 OE1 GLU A 12 4.027 -6.499 -7.315 1.00 0.00 O ATOM 74 OE2 GLU A 12 5.848 -7.700 -7.193 1.00 0.00 O ATOM 0 H GLU A 12 5.797 -9.714 -5.226 1.00 0.00 H new ATOM 0 HA GLU A 12 5.931 -7.088 -4.286 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.523 -8.900 -3.948 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.552 -7.190 -4.334 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.350 -9.468 -6.178 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.889 -8.506 -6.283 1.00 0.00 H new ATOM 81 N THR A 13 5.760 -9.344 -1.957 1.00 0.00 N ATOM 82 CA THR A 13 5.755 -9.597 -0.522 1.00 0.00 C ATOM 83 C THR A 13 7.129 -9.307 0.083 1.00 0.00 C ATOM 84 O THR A 13 7.278 -9.195 1.297 1.00 0.00 O ATOM 85 CB THR A 13 5.398 -11.074 -0.237 1.00 0.00 C ATOM 86 OG1 THR A 13 6.387 -11.928 -0.825 1.00 0.00 O ATOM 87 CG2 THR A 13 4.033 -11.429 -0.814 1.00 0.00 C ATOM 0 H THR A 13 5.994 -10.159 -2.524 1.00 0.00 H new ATOM 0 HA THR A 13 5.010 -8.940 -0.073 1.00 0.00 H new ATOM 0 HB THR A 13 5.370 -11.214 0.844 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.161 -12.864 -0.643 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.808 -12.473 -0.599 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.271 -10.793 -0.363 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.043 -11.275 -1.893 1.00 0.00 H new ATOM 95 N TYR A 14 8.114 -9.152 -0.783 1.00 0.00 N ATOM 96 CA TYR A 14 9.489 -8.969 -0.371 1.00 0.00 C ATOM 97 C TYR A 14 9.867 -7.484 -0.339 1.00 0.00 C ATOM 98 O TYR A 14 10.840 -7.090 0.312 1.00 0.00 O ATOM 99 CB TYR A 14 10.407 -9.753 -1.332 1.00 0.00 C ATOM 100 CG TYR A 14 11.865 -9.354 -1.291 1.00 0.00 C ATOM 101 CD1 TYR A 14 12.712 -9.813 -0.292 1.00 0.00 C ATOM 102 CD2 TYR A 14 12.391 -8.513 -2.263 1.00 0.00 C ATOM 103 CE1 TYR A 14 14.043 -9.442 -0.263 1.00 0.00 C ATOM 104 CE2 TYR A 14 13.713 -8.138 -2.242 1.00 0.00 C ATOM 105 CZ TYR A 14 14.537 -8.603 -1.241 1.00 0.00 C ATOM 106 OH TYR A 14 15.859 -8.228 -1.219 1.00 0.00 O ATOM 0 H TYR A 14 7.980 -9.150 -1.794 1.00 0.00 H new ATOM 0 HA TYR A 14 9.613 -9.351 0.642 1.00 0.00 H new ATOM 0 HB2 TYR A 14 10.330 -10.815 -1.099 1.00 0.00 H new ATOM 0 HB3 TYR A 14 10.039 -9.623 -2.350 1.00 0.00 H new ATOM 0 HD1 TYR A 14 12.326 -10.469 0.474 1.00 0.00 H new ATOM 0 HD2 TYR A 14 11.749 -8.147 -3.050 1.00 0.00 H new ATOM 0 HE1 TYR A 14 14.692 -9.806 0.520 1.00 0.00 H new ATOM 0 HE2 TYR A 14 14.104 -7.482 -3.006 1.00 0.00 H new ATOM 0 HH TYR A 14 16.044 -7.637 -1.978 1.00 0.00 H new ATOM 116 N ILE A 15 9.086 -6.665 -1.001 1.00 0.00 N ATOM 117 CA ILE A 15 9.386 -5.253 -1.090 1.00 0.00 C ATOM 118 C ILE A 15 8.679 -4.478 0.032 1.00 0.00 C ATOM 119 O ILE A 15 7.587 -4.858 0.468 1.00 0.00 O ATOM 120 CB ILE A 15 8.979 -4.688 -2.486 1.00 0.00 C ATOM 121 CG1 ILE A 15 9.468 -3.250 -2.668 1.00 0.00 C ATOM 122 CG2 ILE A 15 7.474 -4.773 -2.698 1.00 0.00 C ATOM 123 CD1 ILE A 15 10.972 -3.117 -2.631 1.00 0.00 C ATOM 0 H ILE A 15 8.236 -6.951 -1.487 1.00 0.00 H new ATOM 0 HA ILE A 15 10.462 -5.126 -0.971 1.00 0.00 H new ATOM 0 HB ILE A 15 9.463 -5.307 -3.241 1.00 0.00 H new ATOM 0 HG12 ILE A 15 9.100 -2.867 -3.620 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.036 -2.626 -1.886 1.00 0.00 H new ATOM 0 HG21 ILE A 15 7.222 -4.372 -3.680 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.156 -5.814 -2.639 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.965 -4.194 -1.927 1.00 0.00 H new ATOM 0 HD11 ILE A 15 11.248 -2.071 -2.766 1.00 0.00 H new ATOM 0 HD12 ILE A 15 11.345 -3.469 -1.669 1.00 0.00 H new ATOM 0 HD13 ILE A 15 11.410 -3.714 -3.431 1.00 0.00 H new ATOM 135 N THR A 16 9.312 -3.423 0.520 1.00 0.00 N ATOM 136 CA THR A 16 8.713 -2.608 1.557 1.00 0.00 C ATOM 137 C THR A 16 8.052 -1.386 0.946 1.00 0.00 C ATOM 138 O THR A 16 8.368 -0.993 -0.178 1.00 0.00 O ATOM 139 CB THR A 16 9.748 -2.134 2.601 1.00 0.00 C ATOM 140 OG1 THR A 16 10.771 -1.375 1.962 1.00 0.00 O ATOM 141 CG2 THR A 16 10.364 -3.308 3.342 1.00 0.00 C ATOM 0 H THR A 16 10.235 -3.115 0.215 1.00 0.00 H new ATOM 0 HA THR A 16 7.976 -3.233 2.061 1.00 0.00 H new ATOM 0 HB THR A 16 9.230 -1.509 3.328 1.00 0.00 H new ATOM 0 HG1 THR A 16 11.363 -1.977 1.464 1.00 0.00 H new ATOM 0 HG21 THR A 16 11.088 -2.940 4.069 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.581 -3.863 3.858 1.00 0.00 H new ATOM 0 HG23 THR A 16 10.866 -3.964 2.631 1.00 0.00 H new ATOM 149 N CYS A 17 7.149 -0.787 1.684 1.00 0.00 N ATOM 150 CA CYS A 17 6.470 0.411 1.231 1.00 0.00 C ATOM 151 C CYS A 17 7.410 1.613 1.281 1.00 0.00 C ATOM 152 O CYS A 17 7.174 2.629 0.629 1.00 0.00 O ATOM 153 CB CYS A 17 5.248 0.644 2.085 1.00 0.00 C ATOM 154 SG CYS A 17 5.328 -0.238 3.664 1.00 0.00 S ATOM 0 H CYS A 17 6.863 -1.110 2.608 1.00 0.00 H new ATOM 0 HA CYS A 17 6.158 0.280 0.195 1.00 0.00 H new ATOM 0 HB2 CYS A 17 5.139 1.712 2.274 1.00 0.00 H new ATOM 0 HB3 CYS A 17 4.360 0.325 1.539 1.00 0.00 H new ATOM 159 N ALA A 18 8.482 1.485 2.058 1.00 0.00 N ATOM 160 CA ALA A 18 9.495 2.520 2.135 1.00 0.00 C ATOM 161 C ALA A 18 10.265 2.566 0.825 1.00 0.00 C ATOM 162 O ALA A 18 10.514 3.639 0.264 1.00 0.00 O ATOM 163 CB ALA A 18 10.436 2.250 3.297 1.00 0.00 C ATOM 0 H ALA A 18 8.667 0.670 2.643 1.00 0.00 H new ATOM 0 HA ALA A 18 9.016 3.485 2.303 1.00 0.00 H new ATOM 0 HB1 ALA A 18 11.191 3.034 3.343 1.00 0.00 H new ATOM 0 HB2 ALA A 18 9.870 2.236 4.228 1.00 0.00 H new ATOM 0 HB3 ALA A 18 10.923 1.285 3.154 1.00 0.00 H new ATOM 169 N GLU A 19 10.614 1.385 0.328 1.00 0.00 N ATOM 170 CA GLU A 19 11.317 1.257 -0.937 1.00 0.00 C ATOM 171 C GLU A 19 10.367 1.541 -2.092 1.00 0.00 C ATOM 172 O GLU A 19 10.795 1.939 -3.174 1.00 0.00 O ATOM 173 CB GLU A 19 11.908 -0.141 -1.078 1.00 0.00 C ATOM 174 CG GLU A 19 12.936 -0.489 -0.017 1.00 0.00 C ATOM 175 CD GLU A 19 13.281 -1.961 -0.009 1.00 0.00 C ATOM 176 OE1 GLU A 19 12.437 -2.769 0.438 1.00 0.00 O ATOM 177 OE2 GLU A 19 14.402 -2.323 -0.438 1.00 0.00 O ATOM 0 H GLU A 19 10.418 0.496 0.789 1.00 0.00 H new ATOM 0 HA GLU A 19 12.130 1.982 -0.959 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.100 -0.871 -1.039 1.00 0.00 H new ATOM 0 HB3 GLU A 19 12.371 -0.231 -2.061 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.842 0.093 -0.188 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.554 -0.203 0.963 1.00 0.00 H new ATOM 184 N ALA A 20 9.065 1.343 -1.849 1.00 0.00 N ATOM 185 CA ALA A 20 8.051 1.607 -2.844 1.00 0.00 C ATOM 186 C ALA A 20 8.045 3.081 -3.206 1.00 0.00 C ATOM 187 O ALA A 20 7.774 3.443 -4.336 1.00 0.00 O ATOM 188 CB ALA A 20 6.683 1.176 -2.340 1.00 0.00 C ATOM 0 H ALA A 20 8.700 0.998 -0.961 1.00 0.00 H new ATOM 0 HA ALA A 20 8.282 1.029 -3.739 1.00 0.00 H new ATOM 0 HB1 ALA A 20 5.932 1.383 -3.103 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.695 0.108 -2.123 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.439 1.728 -1.432 1.00 0.00 H new ATOM 194 N ASN A 21 8.371 3.922 -2.232 1.00 0.00 N ATOM 195 CA ASN A 21 8.440 5.362 -2.452 1.00 0.00 C ATOM 196 C ASN A 21 9.680 5.691 -3.278 1.00 0.00 C ATOM 197 O ASN A 21 9.648 6.533 -4.178 1.00 0.00 O ATOM 198 CB ASN A 21 8.489 6.107 -1.112 1.00 0.00 C ATOM 199 CG ASN A 21 8.472 7.615 -1.281 1.00 0.00 C ATOM 200 OD1 ASN A 21 7.881 8.139 -2.218 1.00 0.00 O ATOM 201 ND2 ASN A 21 9.124 8.319 -0.378 1.00 0.00 N ATOM 0 H ASN A 21 8.592 3.631 -1.280 1.00 0.00 H new ATOM 0 HA ASN A 21 7.549 5.682 -2.992 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.639 5.804 -0.501 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.390 5.816 -0.572 1.00 0.00 H new ATOM 0 HD21 ASN A 21 9.149 9.337 -0.445 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.604 7.846 0.388 1.00 0.00 H new ATOM 208 N GLU A 22 10.775 5.035 -2.936 1.00 0.00 N ATOM 209 CA GLU A 22 12.025 5.184 -3.667 1.00 0.00 C ATOM 210 C GLU A 22 11.845 4.799 -5.143 1.00 0.00 C ATOM 211 O GLU A 22 12.182 5.572 -6.037 1.00 0.00 O ATOM 212 CB GLU A 22 13.125 4.341 -3.019 1.00 0.00 C ATOM 213 CG GLU A 22 13.349 4.660 -1.547 1.00 0.00 C ATOM 214 CD GLU A 22 14.501 3.887 -0.947 1.00 0.00 C ATOM 215 OE1 GLU A 22 14.297 2.731 -0.525 1.00 0.00 O ATOM 216 OE2 GLU A 22 15.624 4.433 -0.893 1.00 0.00 O ATOM 0 H GLU A 22 10.825 4.388 -2.149 1.00 0.00 H new ATOM 0 HA GLU A 22 12.323 6.232 -3.626 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.869 3.286 -3.119 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.057 4.496 -3.562 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.538 5.728 -1.436 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.439 4.438 -0.990 1.00 0.00 H new ATOM 223 N MET A 23 11.290 3.614 -5.387 1.00 0.00 N ATOM 224 CA MET A 23 11.069 3.144 -6.757 1.00 0.00 C ATOM 225 C MET A 23 9.970 3.960 -7.449 1.00 0.00 C ATOM 226 O MET A 23 10.001 4.146 -8.650 1.00 0.00 O ATOM 227 CB MET A 23 10.732 1.642 -6.777 1.00 0.00 C ATOM 228 CG MET A 23 9.444 1.283 -6.058 1.00 0.00 C ATOM 229 SD MET A 23 9.201 -0.496 -5.876 1.00 0.00 S ATOM 230 CE MET A 23 9.118 -1.011 -7.587 1.00 0.00 C ATOM 0 H MET A 23 10.986 2.964 -4.662 1.00 0.00 H new ATOM 0 HA MET A 23 11.995 3.289 -7.313 1.00 0.00 H new ATOM 0 HB2 MET A 23 10.661 1.311 -7.813 1.00 0.00 H new ATOM 0 HB3 MET A 23 11.555 1.091 -6.322 1.00 0.00 H new ATOM 0 HG2 MET A 23 9.446 1.745 -5.071 1.00 0.00 H new ATOM 0 HG3 MET A 23 8.601 1.704 -6.606 1.00 0.00 H new ATOM 0 HE1 MET A 23 8.744 -2.033 -7.642 1.00 0.00 H new ATOM 0 HE2 MET A 23 8.447 -0.349 -8.134 1.00 0.00 H new ATOM 0 HE3 MET A 23 10.113 -0.965 -8.030 1.00 0.00 H new ATOM 240 N ALA A 24 8.986 4.414 -6.666 1.00 0.00 N ATOM 241 CA ALA A 24 7.895 5.283 -7.167 1.00 0.00 C ATOM 242 C ALA A 24 8.418 6.454 -8.008 1.00 0.00 C ATOM 243 O ALA A 24 7.720 6.958 -8.882 1.00 0.00 O ATOM 244 CB ALA A 24 7.047 5.810 -6.018 1.00 0.00 C ATOM 0 H ALA A 24 8.915 4.196 -5.672 1.00 0.00 H new ATOM 0 HA ALA A 24 7.277 4.661 -7.814 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.254 6.445 -6.413 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.606 4.973 -5.477 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.673 6.391 -5.340 1.00 0.00 H new ATOM 250 N LYS A 25 9.641 6.881 -7.742 1.00 0.00 N ATOM 251 CA LYS A 25 10.244 7.978 -8.489 1.00 0.00 C ATOM 252 C LYS A 25 10.512 7.588 -9.948 1.00 0.00 C ATOM 253 O LYS A 25 10.637 8.449 -10.815 1.00 0.00 O ATOM 254 CB LYS A 25 11.521 8.451 -7.802 1.00 0.00 C ATOM 255 CG LYS A 25 11.272 9.006 -6.411 1.00 0.00 C ATOM 256 CD LYS A 25 12.553 9.471 -5.747 1.00 0.00 C ATOM 257 CE LYS A 25 12.269 10.063 -4.375 1.00 0.00 C ATOM 258 NZ LYS A 25 11.669 9.065 -3.449 1.00 0.00 N ATOM 0 H LYS A 25 10.238 6.486 -7.015 1.00 0.00 H new ATOM 0 HA LYS A 25 9.534 8.805 -8.503 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.222 7.619 -7.736 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.994 9.218 -8.415 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.573 9.840 -6.473 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.801 8.240 -5.794 1.00 0.00 H new ATOM 0 HD2 LYS A 25 13.242 8.632 -5.650 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.043 10.215 -6.374 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.196 10.444 -3.946 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.594 10.912 -4.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.707 9.365 -3.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.629 8.137 -3.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.251 8.994 -2.590 1.00 0.00 H new ATOM 272 N THR A 26 10.582 6.292 -10.210 1.00 0.00 N ATOM 273 CA THR A 26 10.792 5.796 -11.560 1.00 0.00 C ATOM 274 C THR A 26 9.584 4.986 -12.034 1.00 0.00 C ATOM 275 O THR A 26 9.168 5.077 -13.193 1.00 0.00 O ATOM 276 CB THR A 26 12.062 4.914 -11.655 1.00 0.00 C ATOM 277 OG1 THR A 26 11.965 3.806 -10.745 1.00 0.00 O ATOM 278 CG2 THR A 26 13.311 5.725 -11.336 1.00 0.00 C ATOM 0 H THR A 26 10.496 5.563 -9.502 1.00 0.00 H new ATOM 0 HA THR A 26 10.924 6.667 -12.201 1.00 0.00 H new ATOM 0 HB THR A 26 12.138 4.540 -12.676 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.473 3.074 -11.172 1.00 0.00 H new ATOM 0 HG21 THR A 26 14.190 5.084 -11.409 1.00 0.00 H new ATOM 0 HG22 THR A 26 13.402 6.548 -12.045 1.00 0.00 H new ATOM 0 HG23 THR A 26 13.237 6.125 -10.325 1.00 0.00 H new ATOM 286 N ASP A 27 9.026 4.197 -11.129 1.00 0.00 N ATOM 287 CA ASP A 27 7.899 3.335 -11.443 1.00 0.00 C ATOM 288 C ASP A 27 6.721 3.625 -10.531 1.00 0.00 C ATOM 289 O ASP A 27 6.249 2.745 -9.804 1.00 0.00 O ATOM 290 CB ASP A 27 8.302 1.866 -11.312 1.00 0.00 C ATOM 291 CG ASP A 27 9.479 1.511 -12.182 1.00 0.00 C ATOM 292 OD1 ASP A 27 9.269 1.152 -13.356 1.00 0.00 O ATOM 293 OD2 ASP A 27 10.630 1.608 -11.699 1.00 0.00 O ATOM 0 H ASP A 27 9.340 4.137 -10.161 1.00 0.00 H new ATOM 0 HA ASP A 27 7.599 3.536 -12.472 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.545 1.651 -10.272 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.454 1.235 -11.578 1.00 0.00 H new ATOM 298 N SER A 28 6.255 4.859 -10.562 1.00 0.00 N ATOM 299 CA SER A 28 5.117 5.273 -9.760 1.00 0.00 C ATOM 300 C SER A 28 3.873 4.476 -10.130 1.00 0.00 C ATOM 301 O SER A 28 3.075 4.117 -9.266 1.00 0.00 O ATOM 302 CB SER A 28 4.873 6.767 -9.950 1.00 0.00 C ATOM 303 OG SER A 28 5.061 7.133 -11.308 1.00 0.00 O ATOM 0 H SER A 28 6.651 5.600 -11.140 1.00 0.00 H new ATOM 0 HA SER A 28 5.338 5.078 -8.711 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.860 7.019 -9.636 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.553 7.336 -9.316 1.00 0.00 H new ATOM 0 HG SER A 28 4.899 8.094 -11.413 1.00 0.00 H new ATOM 309 N ALA A 29 3.732 4.181 -11.421 1.00 0.00 N ATOM 310 CA ALA A 29 2.594 3.431 -11.929 1.00 0.00 C ATOM 311 C ALA A 29 2.473 2.067 -11.256 1.00 0.00 C ATOM 312 O ALA A 29 1.384 1.673 -10.842 1.00 0.00 O ATOM 313 CB ALA A 29 2.710 3.273 -13.435 1.00 0.00 C ATOM 0 H ALA A 29 4.403 4.456 -12.139 1.00 0.00 H new ATOM 0 HA ALA A 29 1.689 3.991 -11.695 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.855 2.710 -13.809 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.730 4.257 -13.904 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.629 2.738 -13.675 1.00 0.00 H new ATOM 319 N GLN A 30 3.599 1.356 -11.131 1.00 0.00 N ATOM 320 CA GLN A 30 3.603 0.032 -10.507 1.00 0.00 C ATOM 321 C GLN A 30 3.072 0.105 -9.087 1.00 0.00 C ATOM 322 O GLN A 30 2.067 -0.524 -8.762 1.00 0.00 O ATOM 323 CB GLN A 30 5.007 -0.582 -10.502 1.00 0.00 C ATOM 324 CG GLN A 30 5.534 -0.955 -11.877 1.00 0.00 C ATOM 325 CD GLN A 30 6.858 -1.697 -11.811 1.00 0.00 C ATOM 326 OE1 GLN A 30 7.140 -2.415 -10.848 1.00 0.00 O ATOM 327 NE2 GLN A 30 7.675 -1.533 -12.829 1.00 0.00 N ATOM 0 H GLN A 30 4.513 1.674 -11.452 1.00 0.00 H new ATOM 0 HA GLN A 30 2.950 -0.608 -11.101 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.697 0.124 -10.041 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.998 -1.474 -9.876 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.798 -1.576 -12.388 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.657 -0.051 -12.473 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.406 -0.931 -13.607 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.578 -2.008 -12.840 1.00 0.00 H new ATOM 336 N VAL A 31 3.751 0.883 -8.250 1.00 0.00 N ATOM 337 CA VAL A 31 3.363 1.058 -6.854 1.00 0.00 C ATOM 338 C VAL A 31 1.899 1.479 -6.730 1.00 0.00 C ATOM 339 O VAL A 31 1.172 0.967 -5.878 1.00 0.00 O ATOM 340 CB VAL A 31 4.255 2.110 -6.156 1.00 0.00 C ATOM 341 CG1 VAL A 31 3.891 2.243 -4.682 1.00 0.00 C ATOM 342 CG2 VAL A 31 5.725 1.750 -6.314 1.00 0.00 C ATOM 0 H VAL A 31 4.583 1.408 -8.519 1.00 0.00 H new ATOM 0 HA VAL A 31 3.496 0.093 -6.365 1.00 0.00 H new ATOM 0 HB VAL A 31 4.081 3.074 -6.634 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.533 2.989 -4.215 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.850 2.552 -4.591 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.029 1.283 -4.185 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.339 2.501 -5.817 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.911 0.774 -5.865 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.980 1.717 -7.373 1.00 0.00 H new ATOM 352 N ALA A 32 1.463 2.371 -7.613 1.00 0.00 N ATOM 353 CA ALA A 32 0.100 2.878 -7.578 1.00 0.00 C ATOM 354 C ALA A 32 -0.905 1.764 -7.843 1.00 0.00 C ATOM 355 O ALA A 32 -1.939 1.687 -7.194 1.00 0.00 O ATOM 356 CB ALA A 32 -0.078 4.004 -8.585 1.00 0.00 C ATOM 0 H ALA A 32 2.037 2.757 -8.363 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.086 3.272 -6.579 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.104 4.370 -8.544 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.607 4.817 -8.346 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.135 3.633 -9.587 1.00 0.00 H new ATOM 362 N GLU A 33 -0.581 0.892 -8.784 1.00 0.00 N ATOM 363 CA GLU A 33 -1.466 -0.210 -9.132 1.00 0.00 C ATOM 364 C GLU A 33 -1.446 -1.311 -8.072 1.00 0.00 C ATOM 365 O GLU A 33 -2.413 -2.040 -7.915 1.00 0.00 O ATOM 366 CB GLU A 33 -1.110 -0.777 -10.506 1.00 0.00 C ATOM 367 CG GLU A 33 -1.405 0.179 -11.651 1.00 0.00 C ATOM 368 CD GLU A 33 -1.018 -0.383 -13.000 1.00 0.00 C ATOM 369 OE1 GLU A 33 -1.762 -1.228 -13.536 1.00 0.00 O ATOM 370 OE2 GLU A 33 0.020 0.041 -13.550 1.00 0.00 O ATOM 0 H GLU A 33 0.286 0.925 -9.320 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.480 0.187 -9.172 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.051 -1.034 -10.521 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.664 -1.702 -10.663 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.469 0.418 -11.654 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.869 1.114 -11.485 1.00 0.00 H new ATOM 377 N ILE A 34 -0.364 -1.402 -7.316 1.00 0.00 N ATOM 378 CA ILE A 34 -0.251 -2.434 -6.291 1.00 0.00 C ATOM 379 C ILE A 34 -1.047 -2.028 -5.055 1.00 0.00 C ATOM 380 O ILE A 34 -1.817 -2.821 -4.499 1.00 0.00 O ATOM 381 CB ILE A 34 1.224 -2.692 -5.888 1.00 0.00 C ATOM 382 CG1 ILE A 34 2.048 -3.111 -7.110 1.00 0.00 C ATOM 383 CG2 ILE A 34 1.302 -3.764 -4.802 1.00 0.00 C ATOM 384 CD1 ILE A 34 3.532 -3.243 -6.833 1.00 0.00 C ATOM 0 H ILE A 34 0.443 -0.782 -7.389 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.653 -3.356 -6.711 1.00 0.00 H new ATOM 0 HB ILE A 34 1.639 -1.766 -5.491 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.671 -4.064 -7.481 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.900 -2.379 -7.904 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.344 -3.932 -4.531 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.748 -3.433 -3.924 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.870 -4.692 -5.175 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.047 -3.542 -7.746 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.925 -2.285 -6.492 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.693 -3.996 -6.062 1.00 0.00 H new ATOM 396 N VAL A 35 -0.877 -0.775 -4.658 1.00 0.00 N ATOM 397 CA VAL A 35 -1.572 -0.244 -3.491 1.00 0.00 C ATOM 398 C VAL A 35 -3.063 -0.084 -3.776 1.00 0.00 C ATOM 399 O VAL A 35 -3.886 -0.119 -2.866 1.00 0.00 O ATOM 400 CB VAL A 35 -0.981 1.109 -3.021 1.00 0.00 C ATOM 401 CG1 VAL A 35 0.484 0.951 -2.639 1.00 0.00 C ATOM 402 CG2 VAL A 35 -1.149 2.182 -4.089 1.00 0.00 C ATOM 0 H VAL A 35 -0.265 -0.106 -5.125 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.432 -0.966 -2.687 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.533 1.429 -2.137 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.880 1.912 -2.312 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.573 0.227 -1.829 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.049 0.600 -3.502 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.725 3.121 -3.732 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.633 1.874 -4.999 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.209 2.320 -4.302 1.00 0.00 H new ATOM 412 N ALA A 36 -3.400 0.073 -5.045 1.00 0.00 N ATOM 413 CA ALA A 36 -4.780 0.231 -5.453 1.00 0.00 C ATOM 414 C ALA A 36 -5.473 -1.112 -5.583 1.00 0.00 C ATOM 415 O ALA A 36 -6.464 -1.372 -4.905 1.00 0.00 O ATOM 416 CB ALA A 36 -4.868 0.990 -6.767 1.00 0.00 C ATOM 0 H ALA A 36 -2.729 0.094 -5.813 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.288 0.805 -4.678 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.914 1.098 -7.056 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.421 1.977 -6.648 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.333 0.440 -7.541 1.00 0.00 H new ATOM 422 N VAL A 37 -4.938 -1.973 -6.449 1.00 0.00 N ATOM 423 CA VAL A 37 -5.545 -3.271 -6.720 1.00 0.00 C ATOM 424 C VAL A 37 -5.710 -4.116 -5.461 1.00 0.00 C ATOM 425 O VAL A 37 -6.833 -4.454 -5.088 1.00 0.00 O ATOM 426 CB VAL A 37 -4.771 -4.068 -7.801 1.00 0.00 C ATOM 427 CG1 VAL A 37 -5.319 -5.485 -7.932 1.00 0.00 C ATOM 428 CG2 VAL A 37 -4.854 -3.351 -9.140 1.00 0.00 C ATOM 0 H VAL A 37 -4.083 -1.792 -6.975 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.540 -3.051 -7.107 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.727 -4.132 -7.494 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.759 -6.023 -8.697 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.220 -6.003 -6.978 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.371 -5.444 -8.215 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.307 -3.920 -9.892 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.898 -3.262 -9.441 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.417 -2.357 -9.048 1.00 0.00 H new ATOM 438 N MET A 38 -4.618 -4.462 -4.797 1.00 0.00 N ATOM 439 CA MET A 38 -4.706 -5.297 -3.612 1.00 0.00 C ATOM 440 C MET A 38 -5.224 -4.495 -2.424 1.00 0.00 C ATOM 441 O MET A 38 -6.011 -4.998 -1.633 1.00 0.00 O ATOM 442 CB MET A 38 -3.323 -5.900 -3.301 1.00 0.00 C ATOM 443 CG MET A 38 -3.347 -7.152 -2.422 1.00 0.00 C ATOM 444 SD MET A 38 -3.768 -6.832 -0.693 1.00 0.00 S ATOM 445 CE MET A 38 -2.366 -5.844 -0.171 1.00 0.00 C ATOM 0 H MET A 38 -3.672 -4.181 -5.055 1.00 0.00 H new ATOM 0 HA MET A 38 -5.411 -6.106 -3.801 1.00 0.00 H new ATOM 0 HB2 MET A 38 -2.830 -6.144 -4.242 1.00 0.00 H new ATOM 0 HB3 MET A 38 -2.714 -5.141 -2.810 1.00 0.00 H new ATOM 0 HG2 MET A 38 -4.066 -7.859 -2.835 1.00 0.00 H new ATOM 0 HG3 MET A 38 -2.369 -7.631 -2.464 1.00 0.00 H new ATOM 0 HE1 MET A 38 -2.352 -5.779 0.917 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.444 -6.309 -0.519 1.00 0.00 H new ATOM 0 HE3 MET A 38 -2.449 -4.843 -0.593 1.00 0.00 H new ATOM 455 N GLY A 39 -4.802 -3.238 -2.329 1.00 0.00 N ATOM 456 CA GLY A 39 -5.210 -2.390 -1.217 1.00 0.00 C ATOM 457 C GLY A 39 -6.716 -2.272 -1.085 1.00 0.00 C ATOM 458 O GLY A 39 -7.283 -2.617 -0.043 1.00 0.00 O ATOM 0 H GLY A 39 -4.183 -2.788 -3.003 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.800 -2.792 -0.291 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.783 -1.396 -1.349 1.00 0.00 H new ATOM 462 N ASN A 40 -7.361 -1.777 -2.139 1.00 0.00 N ATOM 463 CA ASN A 40 -8.822 -1.628 -2.158 1.00 0.00 C ATOM 464 C ASN A 40 -9.527 -2.955 -1.869 1.00 0.00 C ATOM 465 O ASN A 40 -10.599 -2.977 -1.267 1.00 0.00 O ATOM 466 CB ASN A 40 -9.299 -1.050 -3.503 1.00 0.00 C ATOM 467 CG ASN A 40 -9.781 -2.109 -4.494 1.00 0.00 C ATOM 468 OD1 ASN A 40 -10.951 -2.495 -4.497 1.00 0.00 O ATOM 469 ND2 ASN A 40 -8.893 -2.571 -5.336 1.00 0.00 N ATOM 0 H ASN A 40 -6.898 -1.471 -2.994 1.00 0.00 H new ATOM 0 HA ASN A 40 -9.087 -0.928 -1.365 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -10.109 -0.344 -3.318 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.483 -0.487 -3.956 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.161 -3.274 -6.025 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -7.933 -2.228 -5.304 1.00 0.00 H new ATOM 476 N ALA A 41 -8.920 -4.055 -2.294 1.00 0.00 N ATOM 477 CA ALA A 41 -9.491 -5.368 -2.069 1.00 0.00 C ATOM 478 C ALA A 41 -9.336 -5.775 -0.612 1.00 0.00 C ATOM 479 O ALA A 41 -10.277 -6.249 0.010 1.00 0.00 O ATOM 480 CB ALA A 41 -8.839 -6.394 -2.985 1.00 0.00 C ATOM 0 H ALA A 41 -8.032 -4.060 -2.796 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.555 -5.327 -2.301 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.279 -7.375 -2.804 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.002 -6.109 -4.024 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.769 -6.433 -2.783 1.00 0.00 H new ATOM 486 N SER A 42 -8.144 -5.571 -0.081 1.00 0.00 N ATOM 487 CA SER A 42 -7.836 -5.911 1.301 1.00 0.00 C ATOM 488 C SER A 42 -8.785 -5.200 2.276 1.00 0.00 C ATOM 489 O SER A 42 -9.343 -5.825 3.175 1.00 0.00 O ATOM 490 CB SER A 42 -6.377 -5.569 1.628 1.00 0.00 C ATOM 491 OG SER A 42 -5.983 -6.113 2.881 1.00 0.00 O ATOM 0 H SER A 42 -7.361 -5.165 -0.593 1.00 0.00 H new ATOM 0 HA SER A 42 -7.978 -6.985 1.419 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.727 -5.954 0.842 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.251 -4.486 1.644 1.00 0.00 H new ATOM 0 HG SER A 42 -6.348 -5.564 3.606 1.00 0.00 H new ATOM 497 N VAL A 43 -8.973 -3.902 2.092 1.00 0.00 N ATOM 498 CA VAL A 43 -9.844 -3.148 2.982 1.00 0.00 C ATOM 499 C VAL A 43 -11.318 -3.536 2.791 1.00 0.00 C ATOM 500 O VAL A 43 -12.070 -3.664 3.762 1.00 0.00 O ATOM 501 CB VAL A 43 -9.651 -1.610 2.822 1.00 0.00 C ATOM 502 CG1 VAL A 43 -9.985 -1.144 1.413 1.00 0.00 C ATOM 503 CG2 VAL A 43 -10.467 -0.850 3.856 1.00 0.00 C ATOM 0 H VAL A 43 -8.542 -3.355 1.347 1.00 0.00 H new ATOM 0 HA VAL A 43 -9.556 -3.411 4.000 1.00 0.00 H new ATOM 0 HB VAL A 43 -8.597 -1.393 2.994 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.838 -0.066 1.342 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -9.333 -1.647 0.699 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -11.024 -1.384 1.187 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -10.315 0.221 3.723 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -11.524 -1.085 3.730 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -10.148 -1.141 4.857 1.00 0.00 H new ATOM 513 N ALA A 44 -11.711 -3.759 1.550 1.00 0.00 N ATOM 514 CA ALA A 44 -13.082 -4.126 1.248 1.00 0.00 C ATOM 515 C ALA A 44 -13.402 -5.513 1.769 1.00 0.00 C ATOM 516 O ALA A 44 -14.486 -5.761 2.250 1.00 0.00 O ATOM 517 CB ALA A 44 -13.334 -4.052 -0.244 1.00 0.00 C ATOM 0 H ALA A 44 -11.100 -3.692 0.736 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.739 -3.416 1.750 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.367 -4.330 -0.453 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.155 -3.035 -0.593 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -12.662 -4.737 -0.761 1.00 0.00 H new ATOM 523 N SER A 45 -12.450 -6.399 1.674 1.00 0.00 N ATOM 524 CA SER A 45 -12.648 -7.776 2.111 1.00 0.00 C ATOM 525 C SER A 45 -12.744 -7.895 3.626 1.00 0.00 C ATOM 526 O SER A 45 -13.215 -8.909 4.144 1.00 0.00 O ATOM 527 CB SER A 45 -11.542 -8.689 1.568 1.00 0.00 C ATOM 528 OG SER A 45 -10.259 -8.198 1.899 1.00 0.00 O ATOM 0 H SER A 45 -11.522 -6.203 1.298 1.00 0.00 H new ATOM 0 HA SER A 45 -13.604 -8.102 1.700 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.665 -9.693 1.974 1.00 0.00 H new ATOM 0 HB3 SER A 45 -11.634 -8.770 0.485 1.00 0.00 H new ATOM 0 HG SER A 45 -10.055 -7.416 1.345 1.00 0.00 H new ATOM 534 N ARG A 46 -12.323 -6.866 4.341 1.00 0.00 N ATOM 535 CA ARG A 46 -12.341 -6.932 5.787 1.00 0.00 C ATOM 536 C ARG A 46 -13.558 -6.205 6.370 1.00 0.00 C ATOM 537 O ARG A 46 -14.021 -6.547 7.456 1.00 0.00 O ATOM 538 CB ARG A 46 -11.070 -6.291 6.336 1.00 0.00 C ATOM 539 CG ARG A 46 -10.751 -6.655 7.777 1.00 0.00 C ATOM 540 CD ARG A 46 -9.952 -7.943 7.850 1.00 0.00 C ATOM 541 NE ARG A 46 -8.612 -7.788 7.262 1.00 0.00 N ATOM 542 CZ ARG A 46 -8.045 -8.663 6.422 1.00 0.00 C ATOM 543 NH1 ARG A 46 -8.709 -9.747 6.035 1.00 0.00 N ATOM 544 NH2 ARG A 46 -6.813 -8.451 5.968 1.00 0.00 N ATOM 0 H ARG A 46 -11.971 -5.992 3.951 1.00 0.00 H new ATOM 0 HA ARG A 46 -12.399 -7.981 6.076 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -10.230 -6.584 5.706 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -11.163 -5.208 6.260 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.188 -5.847 8.244 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.677 -6.765 8.341 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.859 -8.255 8.890 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -10.489 -8.734 7.327 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.078 -6.956 7.512 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.655 -9.915 6.378 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.273 -10.411 5.395 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.298 -7.620 6.260 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.383 -9.119 5.328 1.00 0.00 H new ATOM 558 N ASP A 47 -14.090 -5.223 5.648 1.00 0.00 N ATOM 559 CA ASP A 47 -15.228 -4.473 6.149 1.00 0.00 C ATOM 560 C ASP A 47 -16.469 -4.665 5.284 1.00 0.00 C ATOM 561 O ASP A 47 -17.588 -4.417 5.730 1.00 0.00 O ATOM 562 CB ASP A 47 -14.857 -3.011 6.189 1.00 0.00 C ATOM 563 CG ASP A 47 -15.449 -2.293 7.381 1.00 0.00 C ATOM 564 OD1 ASP A 47 -15.913 -2.970 8.332 1.00 0.00 O ATOM 565 OD2 ASP A 47 -15.460 -1.060 7.381 1.00 0.00 O ATOM 0 H ASP A 47 -13.755 -4.934 4.729 1.00 0.00 H new ATOM 0 HA ASP A 47 -15.471 -4.841 7.146 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -13.771 -2.916 6.215 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -15.198 -2.528 5.273 1.00 0.00 H new ATOM 570 N LEU A 48 -16.251 -5.072 4.037 1.00 0.00 N ATOM 571 CA LEU A 48 -17.320 -5.348 3.049 1.00 0.00 C ATOM 572 C LEU A 48 -17.995 -4.078 2.508 1.00 0.00 C ATOM 573 O LEU A 48 -18.407 -4.035 1.348 1.00 0.00 O ATOM 574 CB LEU A 48 -18.370 -6.322 3.606 1.00 0.00 C ATOM 575 CG LEU A 48 -17.853 -7.712 3.983 1.00 0.00 C ATOM 576 CD1 LEU A 48 -18.996 -8.596 4.447 1.00 0.00 C ATOM 577 CD2 LEU A 48 -17.121 -8.352 2.811 1.00 0.00 C ATOM 0 H LEU A 48 -15.313 -5.226 3.666 1.00 0.00 H new ATOM 0 HA LEU A 48 -16.820 -5.821 2.204 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -18.824 -5.872 4.489 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -19.161 -6.438 2.865 1.00 0.00 H new ATOM 0 HG LEU A 48 -17.146 -7.603 4.806 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -18.610 -9.581 4.711 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -19.472 -8.147 5.319 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -19.727 -8.696 3.645 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -16.762 -9.339 3.102 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -17.802 -8.448 1.965 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -16.274 -7.728 2.526 1.00 0.00 H new ATOM 589 N LYS A 49 -18.083 -3.054 3.331 1.00 0.00 N ATOM 590 CA LYS A 49 -18.758 -1.811 2.952 1.00 0.00 C ATOM 591 C LYS A 49 -17.790 -0.783 2.360 1.00 0.00 C ATOM 592 O LYS A 49 -18.117 0.403 2.260 1.00 0.00 O ATOM 593 CB LYS A 49 -19.456 -1.213 4.170 1.00 0.00 C ATOM 594 CG LYS A 49 -18.540 -1.048 5.367 1.00 0.00 C ATOM 595 CD LYS A 49 -19.190 -0.228 6.457 1.00 0.00 C ATOM 596 CE LYS A 49 -18.310 -0.167 7.688 1.00 0.00 C ATOM 597 NZ LYS A 49 -18.353 -1.424 8.468 1.00 0.00 N ATOM 0 H LYS A 49 -17.696 -3.050 4.275 1.00 0.00 H new ATOM 0 HA LYS A 49 -19.489 -2.057 2.182 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -19.870 -0.241 3.902 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -20.295 -1.851 4.449 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -18.273 -2.029 5.759 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -17.613 -0.567 5.053 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -19.382 0.781 6.092 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -20.155 -0.662 6.717 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -17.282 0.038 7.388 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -18.629 0.662 8.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -17.402 -1.642 8.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -19.009 -1.314 9.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -18.678 -2.201 7.857 1.00 0.00 H new ATOM 611 N ILE A 50 -16.619 -1.224 1.958 1.00 0.00 N ATOM 612 CA ILE A 50 -15.631 -0.313 1.396 1.00 0.00 C ATOM 613 C ILE A 50 -15.567 -0.463 -0.116 1.00 0.00 C ATOM 614 O ILE A 50 -15.632 -1.575 -0.636 1.00 0.00 O ATOM 615 CB ILE A 50 -14.226 -0.547 2.006 1.00 0.00 C ATOM 616 CG1 ILE A 50 -14.310 -0.564 3.537 1.00 0.00 C ATOM 617 CG2 ILE A 50 -13.248 0.527 1.535 1.00 0.00 C ATOM 618 CD1 ILE A 50 -14.803 0.733 4.146 1.00 0.00 C ATOM 0 H ILE A 50 -16.323 -2.199 2.006 1.00 0.00 H new ATOM 0 HA ILE A 50 -15.945 0.701 1.645 1.00 0.00 H new ATOM 0 HB ILE A 50 -13.858 -1.515 1.666 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -14.974 -1.372 3.844 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -13.323 -0.790 3.941 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -12.268 0.344 1.975 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -13.170 0.496 0.448 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -13.608 1.508 1.845 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -14.833 0.637 5.231 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -14.128 1.543 3.872 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -15.804 0.953 3.773 1.00 0.00 H new ATOM 630 N GLU A 51 -15.457 0.654 -0.808 1.00 0.00 N ATOM 631 CA GLU A 51 -15.402 0.665 -2.254 1.00 0.00 C ATOM 632 C GLU A 51 -14.076 1.233 -2.720 1.00 0.00 C ATOM 633 O GLU A 51 -13.361 1.873 -1.945 1.00 0.00 O ATOM 634 CB GLU A 51 -16.541 1.514 -2.806 1.00 0.00 C ATOM 635 CG GLU A 51 -17.348 0.840 -3.897 1.00 0.00 C ATOM 636 CD GLU A 51 -16.552 0.543 -5.146 1.00 0.00 C ATOM 637 OE1 GLU A 51 -15.780 -0.435 -5.150 1.00 0.00 O ATOM 638 OE2 GLU A 51 -16.706 1.288 -6.136 1.00 0.00 O ATOM 0 H GLU A 51 -15.403 1.579 -0.382 1.00 0.00 H new ATOM 0 HA GLU A 51 -15.501 -0.357 -2.619 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -17.210 1.781 -1.988 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -16.129 2.444 -3.197 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -17.760 -0.092 -3.509 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -18.193 1.477 -4.158 1.00 0.00 H new ATOM 645 N GLN A 52 -13.755 1.012 -3.977 1.00 0.00 N ATOM 646 CA GLN A 52 -12.532 1.521 -4.535 1.00 0.00 C ATOM 647 C GLN A 52 -12.760 2.834 -5.272 1.00 0.00 C ATOM 648 O GLN A 52 -13.587 2.936 -6.184 1.00 0.00 O ATOM 649 CB GLN A 52 -11.865 0.500 -5.456 1.00 0.00 C ATOM 650 CG GLN A 52 -12.729 0.021 -6.606 1.00 0.00 C ATOM 651 CD GLN A 52 -11.962 -0.846 -7.593 1.00 0.00 C ATOM 652 OE1 GLN A 52 -10.675 -0.581 -7.754 1.00 0.00 O flip ATOM 653 NE2 GLN A 52 -12.528 -1.743 -8.216 1.00 0.00 N flip ATOM 0 H GLN A 52 -14.331 0.480 -4.630 1.00 0.00 H new ATOM 0 HA GLN A 52 -11.858 1.712 -3.700 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -10.954 0.939 -5.863 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -11.565 -0.363 -4.862 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -13.573 -0.545 -6.211 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -13.141 0.884 -7.130 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -13.521 -1.919 -8.067 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -12.004 -2.311 -8.882 1.00 0.00 H new ATOM 662 N SER A 53 -12.034 3.825 -4.862 1.00 0.00 N ATOM 663 CA SER A 53 -12.073 5.123 -5.489 1.00 0.00 C ATOM 664 C SER A 53 -10.649 5.566 -5.835 1.00 0.00 C ATOM 665 O SER A 53 -9.690 5.132 -5.188 1.00 0.00 O ATOM 666 CB SER A 53 -12.737 6.139 -4.555 1.00 0.00 C ATOM 667 OG SER A 53 -12.019 6.264 -3.338 1.00 0.00 O ATOM 0 H SER A 53 -11.388 3.763 -4.075 1.00 0.00 H new ATOM 0 HA SER A 53 -12.659 5.064 -6.406 1.00 0.00 H new ATOM 0 HB2 SER A 53 -12.792 7.109 -5.049 1.00 0.00 H new ATOM 0 HB3 SER A 53 -13.761 5.829 -4.346 1.00 0.00 H new ATOM 0 HG SER A 53 -12.464 6.920 -2.762 1.00 0.00 H new ATOM 673 N PRO A 54 -10.481 6.419 -6.867 1.00 0.00 N ATOM 674 CA PRO A 54 -9.158 6.946 -7.253 1.00 0.00 C ATOM 675 C PRO A 54 -8.520 7.736 -6.112 1.00 0.00 C ATOM 676 O PRO A 54 -7.300 7.924 -6.063 1.00 0.00 O ATOM 677 CB PRO A 54 -9.471 7.876 -8.431 1.00 0.00 C ATOM 678 CG PRO A 54 -10.789 7.410 -8.946 1.00 0.00 C ATOM 679 CD PRO A 54 -11.547 6.916 -7.751 1.00 0.00 C ATOM 0 HA PRO A 54 -8.452 6.154 -7.501 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -9.517 8.917 -8.111 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -8.701 7.813 -9.200 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.324 8.221 -9.440 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -10.662 6.617 -9.683 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.123 7.713 -7.281 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -12.251 6.128 -8.017 1.00 0.00 H new ATOM 687 N GLU A 55 -9.359 8.188 -5.194 1.00 0.00 N ATOM 688 CA GLU A 55 -8.911 8.933 -4.035 1.00 0.00 C ATOM 689 C GLU A 55 -8.326 7.983 -3.001 1.00 0.00 C ATOM 690 O GLU A 55 -7.333 8.296 -2.346 1.00 0.00 O ATOM 691 CB GLU A 55 -10.079 9.699 -3.428 1.00 0.00 C ATOM 692 CG GLU A 55 -10.796 10.604 -4.412 1.00 0.00 C ATOM 693 CD GLU A 55 -12.005 11.265 -3.804 1.00 0.00 C ATOM 694 OE1 GLU A 55 -11.862 12.365 -3.236 1.00 0.00 O ATOM 695 OE2 GLU A 55 -13.103 10.685 -3.885 1.00 0.00 O ATOM 0 H GLU A 55 -10.368 8.047 -5.234 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.142 9.640 -4.345 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.794 8.986 -3.017 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.714 10.300 -2.596 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.106 11.370 -4.767 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.102 10.022 -5.281 1.00 0.00 H new ATOM 702 N LEU A 56 -8.948 6.815 -2.875 1.00 0.00 N ATOM 703 CA LEU A 56 -8.518 5.800 -1.923 1.00 0.00 C ATOM 704 C LEU A 56 -7.098 5.340 -2.225 1.00 0.00 C ATOM 705 O LEU A 56 -6.263 5.272 -1.328 1.00 0.00 O ATOM 706 CB LEU A 56 -9.475 4.603 -1.956 1.00 0.00 C ATOM 707 CG LEU A 56 -9.175 3.482 -0.958 1.00 0.00 C ATOM 708 CD1 LEU A 56 -9.351 3.973 0.471 1.00 0.00 C ATOM 709 CD2 LEU A 56 -10.066 2.278 -1.225 1.00 0.00 C ATOM 0 H LEU A 56 -9.762 6.547 -3.429 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.533 6.241 -0.926 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.486 4.966 -1.773 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.465 4.181 -2.961 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.137 3.177 -1.087 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.133 3.161 1.164 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.669 4.802 0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -10.378 4.308 0.617 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.839 1.491 -0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -11.111 2.570 -1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.887 1.910 -2.235 1.00 0.00 H new ATOM 721 N SER A 57 -6.837 5.029 -3.493 1.00 0.00 N ATOM 722 CA SER A 57 -5.521 4.573 -3.933 1.00 0.00 C ATOM 723 C SER A 57 -4.421 5.561 -3.508 1.00 0.00 C ATOM 724 O SER A 57 -3.527 5.218 -2.741 1.00 0.00 O ATOM 725 CB SER A 57 -5.529 4.404 -5.451 1.00 0.00 C ATOM 726 OG SER A 57 -6.668 3.658 -5.868 1.00 0.00 O ATOM 0 H SER A 57 -7.528 5.086 -4.241 1.00 0.00 H new ATOM 0 HA SER A 57 -5.304 3.615 -3.460 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.533 5.383 -5.931 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.619 3.896 -5.770 1.00 0.00 H new ATOM 0 HG SER A 57 -6.657 3.562 -6.843 1.00 0.00 H new ATOM 732 N ALA A 58 -4.485 6.770 -4.044 1.00 0.00 N ATOM 733 CA ALA A 58 -3.546 7.837 -3.681 1.00 0.00 C ATOM 734 C ALA A 58 -3.387 7.990 -2.157 1.00 0.00 C ATOM 735 O ALA A 58 -2.284 8.158 -1.661 1.00 0.00 O ATOM 736 CB ALA A 58 -3.986 9.153 -4.294 1.00 0.00 C ATOM 0 H ALA A 58 -5.181 7.045 -4.738 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.572 7.555 -4.079 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.281 9.937 -4.017 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.015 9.057 -5.379 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.979 9.412 -3.926 1.00 0.00 H new ATOM 742 N LYS A 59 -4.486 7.880 -1.434 1.00 0.00 N ATOM 743 CA LYS A 59 -4.472 8.072 0.015 1.00 0.00 C ATOM 744 C LYS A 59 -3.773 6.902 0.727 1.00 0.00 C ATOM 745 O LYS A 59 -2.918 7.107 1.598 1.00 0.00 O ATOM 746 CB LYS A 59 -5.908 8.230 0.531 1.00 0.00 C ATOM 747 CG LYS A 59 -6.015 8.637 1.992 1.00 0.00 C ATOM 748 CD LYS A 59 -7.468 8.829 2.394 1.00 0.00 C ATOM 749 CE LYS A 59 -7.596 9.352 3.814 1.00 0.00 C ATOM 750 NZ LYS A 59 -9.016 9.584 4.192 1.00 0.00 N ATOM 0 H LYS A 59 -5.403 7.659 -1.821 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.908 8.978 0.235 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.419 8.975 -0.078 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.436 7.287 0.391 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.557 7.874 2.621 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.462 9.561 2.158 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.947 9.526 1.706 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.998 7.880 2.307 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.148 8.639 4.506 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.038 10.283 3.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.062 9.941 5.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.437 10.284 3.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.544 8.690 4.125 1.00 0.00 H new ATOM 764 N VAL A 60 -4.148 5.686 0.343 1.00 0.00 N ATOM 765 CA VAL A 60 -3.602 4.459 0.935 1.00 0.00 C ATOM 766 C VAL A 60 -2.067 4.351 0.782 1.00 0.00 C ATOM 767 O VAL A 60 -1.433 3.601 1.501 1.00 0.00 O ATOM 768 CB VAL A 60 -4.297 3.174 0.382 1.00 0.00 C ATOM 769 CG1 VAL A 60 -3.800 2.816 -1.004 1.00 0.00 C ATOM 770 CG2 VAL A 60 -4.124 2.001 1.340 1.00 0.00 C ATOM 0 H VAL A 60 -4.839 5.518 -0.388 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.821 4.529 2.001 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.361 3.394 0.301 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.308 1.917 -1.352 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.008 3.638 -1.689 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.726 2.635 -0.970 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.618 1.120 0.930 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.062 1.793 1.473 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.568 2.250 2.304 1.00 0.00 H new ATOM 780 N VAL A 61 -1.482 5.114 -0.146 1.00 0.00 N ATOM 781 CA VAL A 61 -0.032 5.050 -0.347 1.00 0.00 C ATOM 782 C VAL A 61 0.686 6.233 0.325 1.00 0.00 C ATOM 783 O VAL A 61 1.764 6.063 0.894 1.00 0.00 O ATOM 784 CB VAL A 61 0.380 4.936 -1.849 1.00 0.00 C ATOM 785 CG1 VAL A 61 -0.019 6.173 -2.640 1.00 0.00 C ATOM 786 CG2 VAL A 61 1.885 4.656 -1.982 1.00 0.00 C ATOM 0 H VAL A 61 -1.975 5.767 -0.755 1.00 0.00 H new ATOM 0 HA VAL A 61 0.291 4.128 0.136 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.163 4.093 -2.275 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.285 6.054 -3.680 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.100 6.303 -2.591 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.472 7.049 -2.217 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.149 4.581 -3.037 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.448 5.469 -1.524 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.127 3.719 -1.480 1.00 0.00 H new ATOM 796 N GLU A 62 0.070 7.420 0.262 1.00 0.00 N ATOM 797 CA GLU A 62 0.637 8.628 0.890 1.00 0.00 C ATOM 798 C GLU A 62 0.907 8.406 2.379 1.00 0.00 C ATOM 799 O GLU A 62 1.953 8.807 2.902 1.00 0.00 O ATOM 800 CB GLU A 62 -0.284 9.838 0.703 1.00 0.00 C ATOM 801 CG GLU A 62 -0.433 10.286 -0.741 1.00 0.00 C ATOM 802 CD GLU A 62 -1.300 11.519 -0.887 1.00 0.00 C ATOM 803 OE1 GLU A 62 -2.535 11.419 -0.699 1.00 0.00 O ATOM 804 OE2 GLU A 62 -0.756 12.597 -1.202 1.00 0.00 O ATOM 0 H GLU A 62 -0.818 7.573 -0.215 1.00 0.00 H new ATOM 0 HA GLU A 62 1.585 8.832 0.391 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.270 9.596 1.101 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.102 10.670 1.292 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.554 10.490 -1.157 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.864 9.473 -1.326 1.00 0.00 H new ATOM 811 N LYS A 63 -0.033 7.769 3.059 1.00 0.00 N ATOM 812 CA LYS A 63 0.132 7.474 4.476 1.00 0.00 C ATOM 813 C LYS A 63 0.965 6.214 4.663 1.00 0.00 C ATOM 814 O LYS A 63 1.674 6.067 5.658 1.00 0.00 O ATOM 815 CB LYS A 63 -1.226 7.313 5.158 1.00 0.00 C ATOM 816 CG LYS A 63 -2.059 8.581 5.172 1.00 0.00 C ATOM 817 CD LYS A 63 -3.352 8.381 5.941 1.00 0.00 C ATOM 818 CE LYS A 63 -4.173 9.658 5.993 1.00 0.00 C ATOM 819 NZ LYS A 63 -3.457 10.759 6.689 1.00 0.00 N ATOM 0 H LYS A 63 -0.914 7.447 2.657 1.00 0.00 H new ATOM 0 HA LYS A 63 0.653 8.312 4.939 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.786 6.527 4.651 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.069 6.981 6.184 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.486 9.391 5.624 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.284 8.882 4.149 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.937 7.590 5.471 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.126 8.051 6.955 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.419 9.971 4.978 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.116 9.461 6.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.127 11.523 6.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.038 10.398 7.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.704 11.127 6.073 1.00 0.00 H new ATOM 833 N LEU A 64 0.887 5.324 3.688 1.00 0.00 N ATOM 834 CA LEU A 64 1.614 4.065 3.712 1.00 0.00 C ATOM 835 C LEU A 64 3.113 4.303 3.788 1.00 0.00 C ATOM 836 O LEU A 64 3.768 3.899 4.750 1.00 0.00 O ATOM 837 CB LEU A 64 1.287 3.262 2.458 1.00 0.00 C ATOM 838 CG LEU A 64 1.929 1.888 2.340 1.00 0.00 C ATOM 839 CD1 LEU A 64 1.406 0.965 3.414 1.00 0.00 C ATOM 840 CD2 LEU A 64 1.673 1.307 0.961 1.00 0.00 C ATOM 0 H LEU A 64 0.315 5.455 2.854 1.00 0.00 H new ATOM 0 HA LEU A 64 1.309 3.508 4.598 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.205 3.138 2.406 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.582 3.851 1.590 1.00 0.00 H new ATOM 0 HG LEU A 64 3.005 1.992 2.477 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.876 -0.013 3.314 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.637 1.380 4.395 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.326 0.861 3.310 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.137 0.324 0.889 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.599 1.214 0.799 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.098 1.966 0.204 1.00 0.00 H new ATOM 852 N ASN A 65 3.653 4.988 2.783 1.00 0.00 N ATOM 853 CA ASN A 65 5.085 5.246 2.731 1.00 0.00 C ATOM 854 C ASN A 65 5.523 6.101 3.896 1.00 0.00 C ATOM 855 O ASN A 65 6.682 6.086 4.268 1.00 0.00 O ATOM 856 CB ASN A 65 5.500 5.907 1.405 1.00 0.00 C ATOM 857 CG ASN A 65 5.162 7.393 1.327 1.00 0.00 C ATOM 858 OD1 ASN A 65 6.098 8.235 1.727 1.00 0.00 O flip ATOM 859 ND2 ASN A 65 4.079 7.774 0.900 1.00 0.00 N flip ATOM 0 H ASN A 65 3.123 5.371 2.000 1.00 0.00 H new ATOM 0 HA ASN A 65 5.585 4.280 2.795 1.00 0.00 H new ATOM 0 HB2 ASN A 65 6.574 5.780 1.267 1.00 0.00 H new ATOM 0 HB3 ASN A 65 5.009 5.388 0.582 1.00 0.00 H new ATOM 0 HD21 ASN A 65 3.381 7.093 0.600 1.00 0.00 H new ATOM 0 HD22 ASN A 65 3.875 8.772 0.844 1.00 0.00 H new ATOM 866 N GLN A 66 4.589 6.845 4.469 1.00 0.00 N ATOM 867 CA GLN A 66 4.887 7.688 5.606 1.00 0.00 C ATOM 868 C GLN A 66 5.215 6.817 6.810 1.00 0.00 C ATOM 869 O GLN A 66 6.250 6.984 7.450 1.00 0.00 O ATOM 870 CB GLN A 66 3.695 8.596 5.921 1.00 0.00 C ATOM 871 CG GLN A 66 4.094 9.994 6.353 1.00 0.00 C ATOM 872 CD GLN A 66 4.806 10.757 5.248 1.00 0.00 C ATOM 873 OE1 GLN A 66 4.427 10.495 4.004 1.00 0.00 O flip ATOM 874 NE2 GLN A 66 5.676 11.587 5.510 1.00 0.00 N flip ATOM 0 H GLN A 66 3.617 6.879 4.161 1.00 0.00 H new ATOM 0 HA GLN A 66 5.746 8.316 5.370 1.00 0.00 H new ATOM 0 HB2 GLN A 66 3.059 8.665 5.039 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.098 8.138 6.709 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.205 10.546 6.658 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.744 9.931 7.225 1.00 0.00 H new ATOM 0 HE21 GLN A 66 5.940 11.760 6.480 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.133 12.102 4.757 1.00 0.00 H new ATOM 883 N VAL A 67 4.328 5.876 7.098 1.00 0.00 N ATOM 884 CA VAL A 67 4.523 4.944 8.201 1.00 0.00 C ATOM 885 C VAL A 67 5.765 4.086 7.965 1.00 0.00 C ATOM 886 O VAL A 67 6.594 3.915 8.856 1.00 0.00 O ATOM 887 CB VAL A 67 3.290 4.026 8.395 1.00 0.00 C ATOM 888 CG1 VAL A 67 3.518 3.042 9.536 1.00 0.00 C ATOM 889 CG2 VAL A 67 2.039 4.856 8.651 1.00 0.00 C ATOM 0 H VAL A 67 3.460 5.737 6.580 1.00 0.00 H new ATOM 0 HA VAL A 67 4.657 5.536 9.106 1.00 0.00 H new ATOM 0 HB VAL A 67 3.146 3.456 7.477 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.638 2.409 9.652 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.385 2.421 9.313 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.694 3.592 10.461 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.184 4.193 8.785 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.178 5.455 9.551 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.859 5.514 7.801 1.00 0.00 H new ATOM 899 N CYS A 68 5.899 3.574 6.753 1.00 0.00 N ATOM 900 CA CYS A 68 7.028 2.721 6.388 1.00 0.00 C ATOM 901 C CYS A 68 8.341 3.505 6.318 1.00 0.00 C ATOM 902 O CYS A 68 9.419 2.921 6.258 1.00 0.00 O ATOM 903 CB CYS A 68 6.736 2.044 5.066 1.00 0.00 C ATOM 904 SG CYS A 68 5.114 1.221 5.038 1.00 0.00 S ATOM 0 H CYS A 68 5.235 3.734 5.995 1.00 0.00 H new ATOM 0 HA CYS A 68 7.153 1.967 7.166 1.00 0.00 H new ATOM 0 HB2 CYS A 68 6.776 2.785 4.267 1.00 0.00 H new ATOM 0 HB3 CYS A 68 7.514 1.310 4.859 1.00 0.00 H new ATOM 909 N ALA A 69 8.246 4.828 6.335 1.00 0.00 N ATOM 910 CA ALA A 69 9.436 5.670 6.350 1.00 0.00 C ATOM 911 C ALA A 69 9.909 5.827 7.780 1.00 0.00 C ATOM 912 O ALA A 69 11.051 6.208 8.043 1.00 0.00 O ATOM 913 CB ALA A 69 9.150 7.032 5.734 1.00 0.00 C ATOM 0 H ALA A 69 7.363 5.339 6.339 1.00 0.00 H new ATOM 0 HA ALA A 69 10.215 5.196 5.754 1.00 0.00 H new ATOM 0 HB1 ALA A 69 10.055 7.639 5.758 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.827 6.903 4.701 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.363 7.530 6.301 1.00 0.00 H new ATOM 919 N LYS A 70 9.014 5.515 8.702 1.00 0.00 N ATOM 920 CA LYS A 70 9.296 5.593 10.114 1.00 0.00 C ATOM 921 C LYS A 70 9.706 4.222 10.631 1.00 0.00 C ATOM 922 O LYS A 70 10.433 4.111 11.614 1.00 0.00 O ATOM 923 CB LYS A 70 8.069 6.111 10.873 1.00 0.00 C ATOM 924 CG LYS A 70 7.616 7.497 10.427 1.00 0.00 C ATOM 925 CD LYS A 70 6.327 7.931 11.119 1.00 0.00 C ATOM 926 CE LYS A 70 6.511 8.071 12.623 1.00 0.00 C ATOM 927 NZ LYS A 70 5.303 8.634 13.277 1.00 0.00 N ATOM 0 H LYS A 70 8.069 5.200 8.485 1.00 0.00 H new ATOM 0 HA LYS A 70 10.117 6.291 10.277 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.246 5.409 10.740 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.296 6.137 11.939 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.403 8.221 10.640 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.465 7.499 9.347 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.994 8.882 10.704 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.542 7.202 10.915 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.736 7.095 13.054 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.367 8.714 12.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.468 8.714 14.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.103 9.576 12.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.491 8.007 13.105 1.00 0.00 H new ATOM 941 N ASP A 71 9.251 3.181 9.951 1.00 0.00 N ATOM 942 CA ASP A 71 9.582 1.808 10.320 1.00 0.00 C ATOM 943 C ASP A 71 9.886 0.988 9.069 1.00 0.00 C ATOM 944 O ASP A 71 8.996 0.715 8.263 1.00 0.00 O ATOM 945 CB ASP A 71 8.440 1.161 11.107 1.00 0.00 C ATOM 946 CG ASP A 71 8.781 -0.246 11.556 1.00 0.00 C ATOM 947 OD1 ASP A 71 9.419 -0.392 12.619 1.00 0.00 O ATOM 948 OD2 ASP A 71 8.411 -1.204 10.859 1.00 0.00 O ATOM 0 H ASP A 71 8.646 3.260 9.133 1.00 0.00 H new ATOM 0 HA ASP A 71 10.466 1.830 10.958 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.209 1.773 11.979 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.543 1.136 10.488 1.00 0.00 H new ATOM 953 N PRO A 72 11.156 0.590 8.890 1.00 0.00 N ATOM 954 CA PRO A 72 11.598 -0.156 7.704 1.00 0.00 C ATOM 955 C PRO A 72 11.140 -1.619 7.695 1.00 0.00 C ATOM 956 O PRO A 72 11.217 -2.293 6.665 1.00 0.00 O ATOM 957 CB PRO A 72 13.123 -0.076 7.789 1.00 0.00 C ATOM 958 CG PRO A 72 13.411 0.058 9.244 1.00 0.00 C ATOM 959 CD PRO A 72 12.270 0.850 9.824 1.00 0.00 C ATOM 0 HA PRO A 72 11.175 0.264 6.791 1.00 0.00 H new ATOM 0 HB2 PRO A 72 13.591 -0.968 7.373 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.507 0.776 7.229 1.00 0.00 H new ATOM 0 HG2 PRO A 72 13.487 -0.921 9.718 1.00 0.00 H new ATOM 0 HG3 PRO A 72 14.361 0.566 9.408 1.00 0.00 H new ATOM 0 HD2 PRO A 72 12.029 0.524 10.836 1.00 0.00 H new ATOM 0 HD3 PRO A 72 12.507 1.912 9.879 1.00 0.00 H new ATOM 967 N GLN A 73 10.686 -2.115 8.846 1.00 0.00 N ATOM 968 CA GLN A 73 10.211 -3.499 8.960 1.00 0.00 C ATOM 969 C GLN A 73 8.881 -3.684 8.245 1.00 0.00 C ATOM 970 O GLN A 73 8.440 -4.815 8.012 1.00 0.00 O ATOM 971 CB GLN A 73 10.030 -3.872 10.426 1.00 0.00 C ATOM 972 CG GLN A 73 11.191 -3.487 11.311 1.00 0.00 C ATOM 973 CD GLN A 73 10.918 -3.766 12.769 1.00 0.00 C ATOM 974 OE1 GLN A 73 10.211 -4.713 13.116 1.00 0.00 O ATOM 975 NE2 GLN A 73 11.447 -2.928 13.628 1.00 0.00 N ATOM 0 H GLN A 73 10.636 -1.581 9.714 1.00 0.00 H new ATOM 0 HA GLN A 73 10.959 -4.143 8.497 1.00 0.00 H new ATOM 0 HB2 GLN A 73 9.126 -3.392 10.802 1.00 0.00 H new ATOM 0 HB3 GLN A 73 9.874 -4.948 10.499 1.00 0.00 H new ATOM 0 HG2 GLN A 73 12.080 -4.035 10.999 1.00 0.00 H new ATOM 0 HG3 GLN A 73 11.408 -2.427 11.181 1.00 0.00 H new ATOM 0 HE21 GLN A 73 12.027 -2.157 13.297 1.00 0.00 H new ATOM 0 HE22 GLN A 73 11.279 -3.048 14.627 1.00 0.00 H new ATOM 984 N MET A 74 8.251 -2.583 7.903 1.00 0.00 N ATOM 985 CA MET A 74 6.952 -2.613 7.254 1.00 0.00 C ATOM 986 C MET A 74 7.054 -3.067 5.797 1.00 0.00 C ATOM 987 O MET A 74 7.523 -2.321 4.927 1.00 0.00 O ATOM 988 CB MET A 74 6.286 -1.237 7.319 1.00 0.00 C ATOM 989 CG MET A 74 5.870 -0.797 8.717 1.00 0.00 C ATOM 990 SD MET A 74 4.662 -1.908 9.472 1.00 0.00 S ATOM 991 CE MET A 74 4.195 -0.961 10.922 1.00 0.00 C ATOM 0 H MET A 74 8.618 -1.645 8.064 1.00 0.00 H new ATOM 0 HA MET A 74 6.341 -3.337 7.792 1.00 0.00 H new ATOM 0 HB2 MET A 74 6.973 -0.496 6.909 1.00 0.00 H new ATOM 0 HB3 MET A 74 5.405 -1.244 6.678 1.00 0.00 H new ATOM 0 HG2 MET A 74 6.753 -0.742 9.353 1.00 0.00 H new ATOM 0 HG3 MET A 74 5.451 0.208 8.667 1.00 0.00 H new ATOM 0 HE1 MET A 74 3.452 -1.516 11.495 1.00 0.00 H new ATOM 0 HE2 MET A 74 5.075 -0.787 11.542 1.00 0.00 H new ATOM 0 HE3 MET A 74 3.774 -0.004 10.612 1.00 0.00 H new ATOM 1001 N LEU A 75 6.632 -4.297 5.539 1.00 0.00 N ATOM 1002 CA LEU A 75 6.589 -4.823 4.184 1.00 0.00 C ATOM 1003 C LEU A 75 5.385 -4.234 3.477 1.00 0.00 C ATOM 1004 O LEU A 75 4.388 -3.925 4.120 1.00 0.00 O ATOM 1005 CB LEU A 75 6.490 -6.354 4.196 1.00 0.00 C ATOM 1006 CG LEU A 75 7.672 -7.101 4.821 1.00 0.00 C ATOM 1007 CD1 LEU A 75 7.386 -8.592 4.881 1.00 0.00 C ATOM 1008 CD2 LEU A 75 8.949 -6.839 4.036 1.00 0.00 C ATOM 0 H LEU A 75 6.314 -4.951 6.254 1.00 0.00 H new ATOM 0 HA LEU A 75 7.506 -4.550 3.661 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.584 -6.635 4.733 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.371 -6.698 3.169 1.00 0.00 H new ATOM 0 HG LEU A 75 7.811 -6.732 5.837 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.236 -9.108 5.328 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.496 -8.768 5.486 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.220 -8.972 3.873 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.776 -7.379 4.497 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.821 -7.179 3.009 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.166 -5.771 4.040 1.00 0.00 H new ATOM 1020 N LEU A 76 5.471 -4.088 2.163 1.00 0.00 N ATOM 1021 CA LEU A 76 4.403 -3.469 1.380 1.00 0.00 C ATOM 1022 C LEU A 76 3.048 -4.123 1.646 1.00 0.00 C ATOM 1023 O LEU A 76 2.105 -3.456 2.061 1.00 0.00 O ATOM 1024 CB LEU A 76 4.738 -3.530 -0.110 1.00 0.00 C ATOM 1025 CG LEU A 76 3.733 -2.865 -1.058 1.00 0.00 C ATOM 1026 CD1 LEU A 76 3.629 -1.376 -0.774 1.00 0.00 C ATOM 1027 CD2 LEU A 76 4.129 -3.104 -2.504 1.00 0.00 C ATOM 0 H LEU A 76 6.273 -4.391 1.611 1.00 0.00 H new ATOM 0 HA LEU A 76 4.329 -2.427 1.690 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.712 -3.064 -0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.838 -4.577 -0.396 1.00 0.00 H new ATOM 0 HG LEU A 76 2.754 -3.314 -0.888 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.911 -0.924 -1.458 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.297 -1.224 0.253 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.605 -0.910 -0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.405 -2.625 -3.163 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.118 -2.683 -2.685 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.149 -4.175 -2.704 1.00 0.00 H new ATOM 1039 N ILE A 77 2.970 -5.426 1.423 1.00 0.00 N ATOM 1040 CA ILE A 77 1.724 -6.167 1.608 1.00 0.00 C ATOM 1041 C ILE A 77 1.194 -6.031 3.040 1.00 0.00 C ATOM 1042 O ILE A 77 0.020 -5.709 3.246 1.00 0.00 O ATOM 1043 CB ILE A 77 1.903 -7.669 1.259 1.00 0.00 C ATOM 1044 CG1 ILE A 77 2.378 -7.833 -0.194 1.00 0.00 C ATOM 1045 CG2 ILE A 77 0.606 -8.441 1.490 1.00 0.00 C ATOM 1046 CD1 ILE A 77 1.425 -7.261 -1.231 1.00 0.00 C ATOM 0 H ILE A 77 3.756 -5.997 1.112 1.00 0.00 H new ATOM 0 HA ILE A 77 0.995 -5.731 0.925 1.00 0.00 H new ATOM 0 HB ILE A 77 2.665 -8.082 1.920 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.349 -7.349 -0.304 1.00 0.00 H new ATOM 0 HG13 ILE A 77 2.525 -8.893 -0.398 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.758 -9.491 1.238 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.314 -8.357 2.537 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.181 -8.027 0.860 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.835 -7.419 -2.228 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.460 -7.761 -1.153 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.296 -6.193 -1.056 1.00 0.00 H new ATOM 1058 N THR A 78 2.062 -6.258 4.017 1.00 0.00 N ATOM 1059 CA THR A 78 1.678 -6.183 5.416 1.00 0.00 C ATOM 1060 C THR A 78 1.212 -4.771 5.796 1.00 0.00 C ATOM 1061 O THR A 78 0.138 -4.597 6.362 1.00 0.00 O ATOM 1062 CB THR A 78 2.848 -6.590 6.325 1.00 0.00 C ATOM 1063 OG1 THR A 78 3.445 -7.804 5.830 1.00 0.00 O ATOM 1064 CG2 THR A 78 2.368 -6.808 7.755 1.00 0.00 C ATOM 0 H THR A 78 3.042 -6.497 3.863 1.00 0.00 H new ATOM 0 HA THR A 78 0.849 -6.876 5.558 1.00 0.00 H new ATOM 0 HB THR A 78 3.585 -5.787 6.322 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.192 -8.061 6.410 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.212 -7.096 8.382 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.930 -5.886 8.136 1.00 0.00 H new ATOM 0 HG23 THR A 78 1.618 -7.599 7.771 1.00 0.00 H new ATOM 1072 N ALA A 79 2.036 -3.776 5.492 1.00 0.00 N ATOM 1073 CA ALA A 79 1.712 -2.387 5.797 1.00 0.00 C ATOM 1074 C ALA A 79 0.368 -1.953 5.210 1.00 0.00 C ATOM 1075 O ALA A 79 -0.370 -1.197 5.844 1.00 0.00 O ATOM 1076 CB ALA A 79 2.817 -1.477 5.335 1.00 0.00 C ATOM 0 H ALA A 79 2.937 -3.906 5.033 1.00 0.00 H new ATOM 0 HA ALA A 79 1.618 -2.310 6.880 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.560 -0.444 5.570 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.744 -1.744 5.842 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.949 -1.582 4.258 1.00 0.00 H new ATOM 1082 N ILE A 80 0.044 -2.423 4.005 1.00 0.00 N ATOM 1083 CA ILE A 80 -1.250 -2.100 3.402 1.00 0.00 C ATOM 1084 C ILE A 80 -2.381 -2.643 4.279 1.00 0.00 C ATOM 1085 O ILE A 80 -3.406 -1.984 4.478 1.00 0.00 O ATOM 1086 CB ILE A 80 -1.382 -2.657 1.955 1.00 0.00 C ATOM 1087 CG1 ILE A 80 -0.344 -2.003 1.036 1.00 0.00 C ATOM 1088 CG2 ILE A 80 -2.789 -2.421 1.412 1.00 0.00 C ATOM 1089 CD1 ILE A 80 -0.358 -2.536 -0.387 1.00 0.00 C ATOM 0 H ILE A 80 0.647 -3.018 3.436 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.320 -1.014 3.338 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.199 -3.731 1.984 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.520 -0.928 1.012 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.649 -2.154 1.460 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.860 -2.818 0.399 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.515 -2.925 2.051 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.999 -1.351 1.398 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.404 -2.024 -0.975 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.150 -3.606 -0.377 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.338 -2.361 -0.832 1.00 0.00 H new ATOM 1101 N ASP A 81 -2.159 -3.833 4.839 1.00 0.00 N ATOM 1102 CA ASP A 81 -3.126 -4.475 5.735 1.00 0.00 C ATOM 1103 C ASP A 81 -3.325 -3.643 7.006 1.00 0.00 C ATOM 1104 O ASP A 81 -4.399 -3.651 7.609 1.00 0.00 O ATOM 1105 CB ASP A 81 -2.662 -5.895 6.092 1.00 0.00 C ATOM 1106 CG ASP A 81 -3.526 -6.558 7.151 1.00 0.00 C ATOM 1107 OD1 ASP A 81 -4.588 -7.127 6.802 1.00 0.00 O ATOM 1108 OD2 ASP A 81 -3.145 -6.534 8.334 1.00 0.00 O ATOM 0 H ASP A 81 -1.310 -4.377 4.687 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.083 -4.540 5.216 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.667 -6.509 5.191 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.632 -5.856 6.445 1.00 0.00 H new ATOM 1113 N ASP A 82 -2.292 -2.923 7.406 1.00 0.00 N ATOM 1114 CA ASP A 82 -2.380 -2.059 8.581 1.00 0.00 C ATOM 1115 C ASP A 82 -2.982 -0.699 8.208 1.00 0.00 C ATOM 1116 O ASP A 82 -3.715 -0.095 8.988 1.00 0.00 O ATOM 1117 CB ASP A 82 -1.009 -1.873 9.234 1.00 0.00 C ATOM 1118 CG ASP A 82 -1.111 -1.265 10.624 1.00 0.00 C ATOM 1119 OD1 ASP A 82 -1.328 -2.026 11.594 1.00 0.00 O ATOM 1120 OD2 ASP A 82 -0.968 -0.033 10.758 1.00 0.00 O ATOM 0 H ASP A 82 -1.384 -2.916 6.941 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.036 -2.545 9.303 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.505 -2.837 9.298 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.392 -1.232 8.604 1.00 0.00 H new ATOM 1125 N THR A 83 -2.695 -0.243 6.993 1.00 0.00 N ATOM 1126 CA THR A 83 -3.193 1.038 6.516 1.00 0.00 C ATOM 1127 C THR A 83 -4.709 0.988 6.335 1.00 0.00 C ATOM 1128 O THR A 83 -5.411 1.955 6.629 1.00 0.00 O ATOM 1129 CB THR A 83 -2.515 1.442 5.189 1.00 0.00 C ATOM 1130 OG1 THR A 83 -1.094 1.433 5.358 1.00 0.00 O ATOM 1131 CG2 THR A 83 -2.954 2.834 4.755 1.00 0.00 C ATOM 0 H THR A 83 -2.117 -0.746 6.320 1.00 0.00 H new ATOM 0 HA THR A 83 -2.949 1.790 7.266 1.00 0.00 H new ATOM 0 HB THR A 83 -2.809 0.726 4.422 1.00 0.00 H new ATOM 0 HG1 THR A 83 -0.780 0.508 5.439 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.462 3.095 3.818 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.035 2.847 4.614 1.00 0.00 H new ATOM 0 HG23 THR A 83 -2.680 3.558 5.522 1.00 0.00 H new ATOM 1139 N MET A 84 -5.213 -0.164 5.885 1.00 0.00 N ATOM 1140 CA MET A 84 -6.655 -0.360 5.724 1.00 0.00 C ATOM 1141 C MET A 84 -7.354 -0.342 7.087 1.00 0.00 C ATOM 1142 O MET A 84 -8.564 -0.176 7.176 1.00 0.00 O ATOM 1143 CB MET A 84 -6.975 -1.656 4.965 1.00 0.00 C ATOM 1144 CG MET A 84 -6.230 -2.860 5.470 1.00 0.00 C ATOM 1145 SD MET A 84 -7.136 -4.385 5.241 1.00 0.00 S ATOM 1146 CE MET A 84 -8.477 -4.107 6.388 1.00 0.00 C ATOM 0 H MET A 84 -4.646 -0.972 5.627 1.00 0.00 H new ATOM 0 HA MET A 84 -7.035 0.468 5.125 1.00 0.00 H new ATOM 0 HB2 MET A 84 -8.046 -1.849 5.032 1.00 0.00 H new ATOM 0 HB3 MET A 84 -6.742 -1.514 3.910 1.00 0.00 H new ATOM 0 HG2 MET A 84 -5.272 -2.931 4.954 1.00 0.00 H new ATOM 0 HG3 MET A 84 -6.012 -2.728 6.530 1.00 0.00 H new ATOM 0 HE1 MET A 84 -8.506 -4.917 7.117 1.00 0.00 H new ATOM 0 HE2 MET A 84 -8.324 -3.159 6.904 1.00 0.00 H new ATOM 0 HE3 MET A 84 -9.421 -4.075 5.844 1.00 0.00 H new ATOM 1156 N ARG A 85 -6.568 -0.519 8.143 1.00 0.00 N ATOM 1157 CA ARG A 85 -7.085 -0.456 9.503 1.00 0.00 C ATOM 1158 C ARG A 85 -7.177 1.001 9.928 1.00 0.00 C ATOM 1159 O ARG A 85 -8.166 1.434 10.516 1.00 0.00 O ATOM 1160 CB ARG A 85 -6.172 -1.216 10.473 1.00 0.00 C ATOM 1161 CG ARG A 85 -5.978 -2.682 10.134 1.00 0.00 C ATOM 1162 CD ARG A 85 -4.945 -3.325 11.050 1.00 0.00 C ATOM 1163 NE ARG A 85 -5.377 -3.333 12.447 1.00 0.00 N ATOM 1164 CZ ARG A 85 -4.588 -3.030 13.485 1.00 0.00 C ATOM 1165 NH1 ARG A 85 -3.333 -2.640 13.289 1.00 0.00 N ATOM 1166 NH2 ARG A 85 -5.062 -3.103 14.723 1.00 0.00 N ATOM 0 H ARG A 85 -5.567 -0.708 8.082 1.00 0.00 H new ATOM 0 HA ARG A 85 -8.071 -0.921 9.527 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -5.197 -0.728 10.493 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.587 -1.140 11.478 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -6.928 -3.208 10.226 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.659 -2.779 9.096 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -4.758 -4.348 10.723 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -4.001 -2.786 10.966 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.345 -3.587 12.644 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -2.963 -2.569 12.341 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -2.740 -2.411 14.086 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -6.028 -3.390 14.883 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -4.461 -2.872 15.514 1.00 0.00 H new ATOM 1180 N ALA A 86 -6.128 1.758 9.605 1.00 0.00 N ATOM 1181 CA ALA A 86 -6.056 3.179 9.928 1.00 0.00 C ATOM 1182 C ALA A 86 -7.140 3.971 9.202 1.00 0.00 C ATOM 1183 O ALA A 86 -7.745 4.874 9.773 1.00 0.00 O ATOM 1184 CB ALA A 86 -4.678 3.727 9.587 1.00 0.00 C ATOM 0 H ALA A 86 -5.308 1.403 9.114 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.226 3.289 10.999 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -4.637 4.788 9.833 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.921 3.192 10.161 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.487 3.594 8.522 1.00 0.00 H new ATOM 1190 N ILE A 87 -7.392 3.624 7.941 1.00 0.00 N ATOM 1191 CA ILE A 87 -8.435 4.300 7.159 1.00 0.00 C ATOM 1192 C ILE A 87 -9.799 3.685 7.420 1.00 0.00 C ATOM 1193 O ILE A 87 -10.772 4.005 6.728 1.00 0.00 O ATOM 1194 CB ILE A 87 -8.170 4.245 5.644 1.00 0.00 C ATOM 1195 CG1 ILE A 87 -8.029 2.795 5.176 1.00 0.00 C ATOM 1196 CG2 ILE A 87 -6.931 5.059 5.282 1.00 0.00 C ATOM 1197 CD1 ILE A 87 -7.986 2.635 3.673 1.00 0.00 C ATOM 0 H ILE A 87 -6.896 2.887 7.440 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.417 5.341 7.482 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.023 4.686 5.129 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.119 2.373 5.602 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -8.864 2.214 5.569 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -6.762 5.006 4.206 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -7.080 6.098 5.575 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -6.064 4.655 5.805 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.885 1.579 3.422 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -8.907 3.025 3.239 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.135 3.186 3.273 1.00 0.00 H new ATOM 1209 N GLY A 88 -9.850 2.788 8.402 1.00 0.00 N ATOM 1210 CA GLY A 88 -11.074 2.104 8.760 1.00 0.00 C ATOM 1211 C GLY A 88 -12.282 3.013 8.858 1.00 0.00 C ATOM 1212 O GLY A 88 -12.193 4.154 9.326 1.00 0.00 O ATOM 0 H GLY A 88 -9.043 2.521 8.966 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -11.275 1.329 8.020 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -10.931 1.602 9.717 1.00 0.00 H new