USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 604 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: A 50 ASN : amide:sc= 0.268 K(o=-0.36,f=-10!) USER MOD Set 1.2: A 58 THR OG1 : rot -130:sc= -0.627 USER MOD Set 2.1: A 25 THR OG1 : rot 88:sc= 1.72 USER MOD Set 2.2: A 31 TYR OH : rot -9:sc= 0.501 USER MOD Set 3.1: A 10 THR OG1 : rot 130:sc= -0.452 USER MOD Set 3.2: A 11 THR OG1 : rot 78:sc= -0.763 USER MOD Set 3.3: A 14 CYS SG : rot -82:sc= 1.22 USER MOD Single : A 7 THR OG1 : rot -87:sc= 0.9 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 101:sc= 1.3 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot -76:sc= 0.782 USER MOD Single : A 21 LYS NZ :NH3+ -111:sc= 0.885 (180deg=-0.68) USER MOD Single : A 22 THR OG1 : rot 75:sc= 0.546 USER MOD Single : A 27 ASN : amide:sc= 0.899 K(o=0.9,f=0) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= -1.04 X(o=-1,f=-1.5!) USER MOD Single : A 48 SER OG : rot 71:sc= 1.22 USER MOD Single : A 53 ASN : amide:sc= -0.565! C(o=-0.56!,f=-16!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 174:sc= 0.249 (180deg=0.167) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -170:sc= 0.00248 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.364 K(o=-0.36,f=-4.4!) USER MOD Single : A 71 SER OG : rot 82:sc= 1.19 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -172:sc= 0.972 (180deg=0.898) USER MOD Single : A 81 LYS NZ :NH3+ -141:sc= -0.225 (180deg=-1.06) USER MOD ----------------------------------------------------------------- ATOM 50 N ALA A 4 6.742 6.993 8.225 1.00 0.00 N ATOM 51 CA ALA A 4 5.696 6.122 7.787 1.00 0.00 C ATOM 52 C ALA A 4 6.091 5.636 6.429 1.00 0.00 C ATOM 53 O ALA A 4 6.433 6.445 5.563 1.00 0.00 O ATOM 54 CB ALA A 4 4.368 6.857 7.720 1.00 0.00 C ATOM 0 HA ALA A 4 5.565 5.294 8.484 1.00 0.00 H new ATOM 0 HB1 ALA A 4 3.590 6.172 7.384 1.00 0.00 H new ATOM 0 HB2 ALA A 4 4.113 7.239 8.709 1.00 0.00 H new ATOM 0 HB3 ALA A 4 4.447 7.688 7.019 1.00 0.00 H new ATOM 60 N ALA A 5 6.115 4.348 6.253 1.00 0.00 N ATOM 61 CA ALA A 5 6.521 3.770 4.998 1.00 0.00 C ATOM 62 C ALA A 5 5.399 3.846 3.965 1.00 0.00 C ATOM 63 O ALA A 5 5.567 4.449 2.894 1.00 0.00 O ATOM 64 CB ALA A 5 6.984 2.337 5.210 1.00 0.00 C ATOM 0 H ALA A 5 5.856 3.668 6.968 1.00 0.00 H new ATOM 0 HA ALA A 5 7.358 4.347 4.605 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.289 1.908 4.255 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.828 2.326 5.899 1.00 0.00 H new ATOM 0 HB3 ALA A 5 6.167 1.749 5.627 1.00 0.00 H new ATOM 70 N LEU A 6 4.261 3.250 4.287 1.00 0.00 N ATOM 71 CA LEU A 6 3.125 3.229 3.387 1.00 0.00 C ATOM 72 C LEU A 6 1.851 2.922 4.147 1.00 0.00 C ATOM 73 O LEU A 6 1.868 2.153 5.118 1.00 0.00 O ATOM 74 CB LEU A 6 3.296 2.196 2.232 1.00 0.00 C ATOM 75 CG LEU A 6 3.317 0.686 2.597 1.00 0.00 C ATOM 76 CD1 LEU A 6 3.234 -0.143 1.345 1.00 0.00 C ATOM 77 CD2 LEU A 6 4.575 0.301 3.355 1.00 0.00 C ATOM 0 H LEU A 6 4.102 2.771 5.174 1.00 0.00 H new ATOM 0 HA LEU A 6 3.064 4.222 2.942 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.487 2.355 1.520 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.227 2.427 1.714 1.00 0.00 H new ATOM 0 HG LEU A 6 2.457 0.497 3.240 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.249 -1.201 1.607 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.308 0.087 0.817 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.084 0.083 0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.547 -0.763 3.590 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.450 0.514 2.741 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.633 0.875 4.280 1.00 0.00 H new ATOM 89 N THR A 7 0.782 3.534 3.728 1.00 0.00 N ATOM 90 CA THR A 7 -0.522 3.301 4.280 1.00 0.00 C ATOM 91 C THR A 7 -1.402 2.558 3.255 1.00 0.00 C ATOM 92 O THR A 7 -1.539 2.991 2.099 1.00 0.00 O ATOM 93 CB THR A 7 -1.193 4.633 4.713 1.00 0.00 C ATOM 94 OG1 THR A 7 -0.424 5.248 5.776 1.00 0.00 O ATOM 95 CG2 THR A 7 -2.613 4.403 5.201 1.00 0.00 C ATOM 0 H THR A 7 0.792 4.224 2.977 1.00 0.00 H new ATOM 0 HA THR A 7 -0.413 2.680 5.169 1.00 0.00 H new ATOM 0 HB THR A 7 -1.224 5.289 3.843 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.719 4.894 6.641 1.00 0.00 H new ATOM 0 HG21 THR A 7 -3.055 5.355 5.497 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.206 3.961 4.400 1.00 0.00 H new ATOM 0 HG23 THR A 7 -2.599 3.728 6.057 1.00 0.00 H new ATOM 103 N ILE A 8 -1.933 1.436 3.680 1.00 0.00 N ATOM 104 CA ILE A 8 -2.811 0.607 2.892 1.00 0.00 C ATOM 105 C ILE A 8 -4.261 1.024 3.093 1.00 0.00 C ATOM 106 O ILE A 8 -4.732 1.157 4.232 1.00 0.00 O ATOM 107 CB ILE A 8 -2.653 -0.899 3.274 1.00 0.00 C ATOM 108 CG1 ILE A 8 -1.262 -1.424 2.911 1.00 0.00 C ATOM 109 CG2 ILE A 8 -3.743 -1.755 2.652 1.00 0.00 C ATOM 110 CD1 ILE A 8 -1.003 -2.838 3.371 1.00 0.00 C ATOM 0 H ILE A 8 -1.760 1.064 4.614 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.536 0.738 1.845 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.763 -0.969 4.356 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.137 -1.376 1.829 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.511 -0.767 3.348 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.598 -2.796 2.941 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.717 -1.414 3.001 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.697 -1.671 1.566 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.003 -3.138 3.077 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.094 -2.890 4.456 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.730 -3.509 2.913 1.00 0.00 H new ATOM 122 N TYR A 9 -4.937 1.246 1.994 1.00 0.00 N ATOM 123 CA TYR A 9 -6.340 1.552 1.985 1.00 0.00 C ATOM 124 C TYR A 9 -7.075 0.398 1.384 1.00 0.00 C ATOM 125 O TYR A 9 -6.721 -0.063 0.293 1.00 0.00 O ATOM 126 CB TYR A 9 -6.615 2.808 1.179 1.00 0.00 C ATOM 127 CG TYR A 9 -5.899 4.015 1.685 1.00 0.00 C ATOM 128 CD1 TYR A 9 -6.316 4.648 2.838 1.00 0.00 C ATOM 129 CD2 TYR A 9 -4.806 4.520 1.014 1.00 0.00 C ATOM 130 CE1 TYR A 9 -5.664 5.761 3.312 1.00 0.00 C ATOM 131 CE2 TYR A 9 -4.147 5.627 1.474 1.00 0.00 C ATOM 132 CZ TYR A 9 -4.573 6.249 2.621 1.00 0.00 C ATOM 133 OH TYR A 9 -3.897 7.358 3.081 1.00 0.00 O ATOM 0 H TYR A 9 -4.517 1.218 1.065 1.00 0.00 H new ATOM 0 HA TYR A 9 -6.675 1.726 3.007 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.327 2.634 0.142 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.687 3.004 1.183 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -7.169 4.262 3.377 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.465 4.034 0.112 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.001 6.248 4.215 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -3.293 6.011 0.936 1.00 0.00 H new ATOM 0 HH TYR A 9 -3.155 7.564 2.475 1.00 0.00 H new ATOM 143 N THR A 10 -8.061 -0.087 2.089 1.00 0.00 N ATOM 144 CA THR A 10 -8.827 -1.206 1.640 1.00 0.00 C ATOM 145 C THR A 10 -10.130 -1.274 2.434 1.00 0.00 C ATOM 146 O THR A 10 -10.325 -0.517 3.412 1.00 0.00 O ATOM 147 CB THR A 10 -8.001 -2.535 1.810 1.00 0.00 C ATOM 148 OG1 THR A 10 -8.705 -3.670 1.281 1.00 0.00 O ATOM 149 CG2 THR A 10 -7.643 -2.792 3.273 1.00 0.00 C ATOM 0 H THR A 10 -8.352 0.287 2.992 1.00 0.00 H new ATOM 0 HA THR A 10 -9.061 -1.087 0.582 1.00 0.00 H new ATOM 0 HB THR A 10 -7.080 -2.401 1.242 1.00 0.00 H new ATOM 0 HG1 THR A 10 -8.113 -4.173 0.684 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.073 -3.718 3.351 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.044 -1.964 3.652 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.556 -2.878 3.861 1.00 0.00 H new ATOM 157 N THR A 11 -11.013 -2.131 2.007 1.00 0.00 N ATOM 158 CA THR A 11 -12.241 -2.371 2.694 1.00 0.00 C ATOM 159 C THR A 11 -12.282 -3.852 3.013 1.00 0.00 C ATOM 160 O THR A 11 -11.534 -4.631 2.406 1.00 0.00 O ATOM 161 CB THR A 11 -13.450 -2.006 1.815 1.00 0.00 C ATOM 162 OG1 THR A 11 -13.066 -1.009 0.863 1.00 0.00 O ATOM 163 CG2 THR A 11 -14.548 -1.423 2.689 1.00 0.00 C ATOM 0 H THR A 11 -10.895 -2.688 1.161 1.00 0.00 H new ATOM 0 HA THR A 11 -12.292 -1.759 3.595 1.00 0.00 H new ATOM 0 HB THR A 11 -13.802 -2.902 1.304 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.562 -1.429 0.135 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.406 -1.163 2.070 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.848 -2.159 3.435 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.178 -0.528 3.190 1.00 0.00 H new ATOM 171 N SER A 12 -13.136 -4.237 3.927 1.00 0.00 N ATOM 172 CA SER A 12 -13.256 -5.617 4.365 1.00 0.00 C ATOM 173 C SER A 12 -13.628 -6.576 3.202 1.00 0.00 C ATOM 174 O SER A 12 -13.221 -7.733 3.187 1.00 0.00 O ATOM 175 CB SER A 12 -14.309 -5.662 5.458 1.00 0.00 C ATOM 176 OG SER A 12 -14.015 -4.697 6.478 1.00 0.00 O ATOM 0 H SER A 12 -13.778 -3.599 4.397 1.00 0.00 H new ATOM 0 HA SER A 12 -12.292 -5.960 4.740 1.00 0.00 H new ATOM 0 HB2 SER A 12 -15.292 -5.462 5.032 1.00 0.00 H new ATOM 0 HB3 SER A 12 -14.347 -6.660 5.894 1.00 0.00 H new ATOM 0 HG SER A 12 -14.582 -3.907 6.354 1.00 0.00 H new ATOM 182 N TRP A 13 -14.359 -6.064 2.220 1.00 0.00 N ATOM 183 CA TRP A 13 -14.827 -6.873 1.092 1.00 0.00 C ATOM 184 C TRP A 13 -13.817 -6.947 -0.050 1.00 0.00 C ATOM 185 O TRP A 13 -14.079 -7.582 -1.084 1.00 0.00 O ATOM 186 CB TRP A 13 -16.182 -6.366 0.578 1.00 0.00 C ATOM 187 CG TRP A 13 -16.213 -4.900 0.259 1.00 0.00 C ATOM 188 CD1 TRP A 13 -16.616 -3.906 1.091 1.00 0.00 C ATOM 189 CD2 TRP A 13 -15.837 -4.263 -0.975 1.00 0.00 C ATOM 190 NE1 TRP A 13 -16.495 -2.698 0.472 1.00 0.00 N ATOM 191 CE2 TRP A 13 -16.030 -2.885 -0.800 1.00 0.00 C ATOM 192 CE3 TRP A 13 -15.358 -4.724 -2.204 1.00 0.00 C ATOM 193 CZ2 TRP A 13 -15.756 -1.960 -1.801 1.00 0.00 C ATOM 194 CZ3 TRP A 13 -15.088 -3.805 -3.198 1.00 0.00 C ATOM 195 CH2 TRP A 13 -15.290 -2.437 -2.990 1.00 0.00 C ATOM 0 H TRP A 13 -14.644 -5.086 2.179 1.00 0.00 H new ATOM 0 HA TRP A 13 -14.947 -7.887 1.473 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -16.450 -6.926 -0.318 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -16.944 -6.579 1.327 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -16.980 -4.051 2.097 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -16.717 -1.795 0.892 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -15.202 -5.779 -2.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -15.907 -0.902 -1.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -14.715 -4.148 -4.152 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -15.072 -1.743 -3.789 1.00 0.00 H new ATOM 206 N CYS A 14 -12.690 -6.303 0.110 1.00 0.00 N ATOM 207 CA CYS A 14 -11.666 -6.351 -0.896 1.00 0.00 C ATOM 208 C CYS A 14 -10.924 -7.671 -0.761 1.00 0.00 C ATOM 209 O CYS A 14 -10.244 -7.901 0.229 1.00 0.00 O ATOM 210 CB CYS A 14 -10.727 -5.157 -0.748 1.00 0.00 C ATOM 211 SG CYS A 14 -11.545 -3.555 -0.963 1.00 0.00 S ATOM 0 H CYS A 14 -12.460 -5.739 0.928 1.00 0.00 H new ATOM 0 HA CYS A 14 -12.105 -6.292 -1.892 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -10.265 -5.189 0.239 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.923 -5.245 -1.479 1.00 0.00 H new ATOM 0 HG CYS A 14 -11.648 -3.287 -2.231 1.00 0.00 H new ATOM 217 N GLY A 15 -11.068 -8.531 -1.757 1.00 0.00 N ATOM 218 CA GLY A 15 -10.520 -9.878 -1.694 1.00 0.00 C ATOM 219 C GLY A 15 -9.011 -9.924 -1.547 1.00 0.00 C ATOM 220 O GLY A 15 -8.464 -10.848 -0.963 1.00 0.00 O ATOM 0 H GLY A 15 -11.563 -8.319 -2.624 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.973 -10.404 -0.854 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.803 -10.417 -2.598 1.00 0.00 H new ATOM 224 N TYR A 16 -8.342 -8.931 -2.061 1.00 0.00 N ATOM 225 CA TYR A 16 -6.900 -8.900 -2.014 1.00 0.00 C ATOM 226 C TYR A 16 -6.322 -8.377 -0.702 1.00 0.00 C ATOM 227 O TYR A 16 -5.111 -8.435 -0.516 1.00 0.00 O ATOM 228 CB TYR A 16 -6.299 -8.204 -3.228 1.00 0.00 C ATOM 229 CG TYR A 16 -6.587 -8.940 -4.514 1.00 0.00 C ATOM 230 CD1 TYR A 16 -6.141 -10.246 -4.688 1.00 0.00 C ATOM 231 CD2 TYR A 16 -7.307 -8.345 -5.545 1.00 0.00 C ATOM 232 CE1 TYR A 16 -6.404 -10.939 -5.846 1.00 0.00 C ATOM 233 CE2 TYR A 16 -7.571 -9.035 -6.714 1.00 0.00 C ATOM 234 CZ TYR A 16 -7.120 -10.335 -6.855 1.00 0.00 C ATOM 235 OH TYR A 16 -7.391 -11.038 -8.011 1.00 0.00 O ATOM 0 H TYR A 16 -8.770 -8.127 -2.520 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.596 -9.946 -2.054 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.695 -7.191 -3.296 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.221 -8.116 -3.096 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.578 -10.724 -3.900 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -7.664 -7.332 -5.431 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -6.050 -11.953 -5.964 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.125 -8.562 -7.511 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.906 -10.473 -8.624 1.00 0.00 H new ATOM 245 N CYS A 17 -7.173 -7.877 0.205 1.00 0.00 N ATOM 246 CA CYS A 17 -6.700 -7.278 1.465 1.00 0.00 C ATOM 247 C CYS A 17 -5.779 -8.231 2.258 1.00 0.00 C ATOM 248 O CYS A 17 -4.600 -7.926 2.471 1.00 0.00 O ATOM 249 CB CYS A 17 -7.880 -6.806 2.343 1.00 0.00 C ATOM 250 SG CYS A 17 -9.047 -8.101 2.835 1.00 0.00 S ATOM 0 H CYS A 17 -8.187 -7.874 0.093 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.107 -6.406 1.190 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.478 -6.341 3.243 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -8.427 -6.033 1.803 1.00 0.00 H new ATOM 0 HG CYS A 17 -9.805 -8.409 1.825 1.00 0.00 H new ATOM 256 N LEU A 18 -6.304 -9.399 2.635 1.00 0.00 N ATOM 257 CA LEU A 18 -5.556 -10.379 3.431 1.00 0.00 C ATOM 258 C LEU A 18 -4.371 -10.947 2.659 1.00 0.00 C ATOM 259 O LEU A 18 -3.327 -11.213 3.242 1.00 0.00 O ATOM 260 CB LEU A 18 -6.453 -11.531 3.968 1.00 0.00 C ATOM 261 CG LEU A 18 -6.997 -12.578 2.965 1.00 0.00 C ATOM 262 CD1 LEU A 18 -7.687 -13.700 3.708 1.00 0.00 C ATOM 263 CD2 LEU A 18 -7.962 -11.966 1.966 1.00 0.00 C ATOM 0 H LEU A 18 -7.252 -9.692 2.400 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.177 -9.832 4.295 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.884 -12.066 4.728 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.308 -11.078 4.469 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.143 -12.967 2.411 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.066 -14.431 2.993 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.977 -14.183 4.379 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.517 -13.296 4.288 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.317 -12.738 1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.810 -11.533 2.497 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.453 -11.186 1.399 1.00 0.00 H new ATOM 275 N ARG A 19 -4.535 -11.087 1.342 1.00 0.00 N ATOM 276 CA ARG A 19 -3.476 -11.602 0.473 1.00 0.00 C ATOM 277 C ARG A 19 -2.256 -10.705 0.563 1.00 0.00 C ATOM 278 O ARG A 19 -1.128 -11.162 0.790 1.00 0.00 O ATOM 279 CB ARG A 19 -3.960 -11.674 -0.983 1.00 0.00 C ATOM 280 CG ARG A 19 -5.022 -12.740 -1.280 1.00 0.00 C ATOM 281 CD ARG A 19 -4.453 -14.168 -1.215 1.00 0.00 C ATOM 282 NE ARG A 19 -4.101 -14.612 0.148 1.00 0.00 N ATOM 283 CZ ARG A 19 -2.945 -15.211 0.502 1.00 0.00 C ATOM 284 NH1 ARG A 19 -1.953 -15.359 -0.382 1.00 0.00 N ATOM 285 NH2 ARG A 19 -2.790 -15.656 1.745 1.00 0.00 N ATOM 0 H ARG A 19 -5.397 -10.849 0.852 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.213 -12.607 0.803 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.362 -10.700 -1.261 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.098 -11.858 -1.624 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.839 -12.644 -0.565 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.443 -12.564 -2.270 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.185 -14.859 -1.634 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.565 -14.223 -1.845 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.789 -14.453 0.884 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.065 -15.017 -1.336 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.084 -15.814 -0.102 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.542 -15.544 2.424 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.919 -16.110 2.019 1.00 0.00 H new ATOM 299 N LEU A 20 -2.520 -9.425 0.449 1.00 0.00 N ATOM 300 CA LEU A 20 -1.517 -8.397 0.513 1.00 0.00 C ATOM 301 C LEU A 20 -0.862 -8.357 1.907 1.00 0.00 C ATOM 302 O LEU A 20 0.362 -8.173 2.029 1.00 0.00 O ATOM 303 CB LEU A 20 -2.185 -7.066 0.176 1.00 0.00 C ATOM 304 CG LEU A 20 -1.340 -5.813 0.260 1.00 0.00 C ATOM 305 CD1 LEU A 20 -0.180 -5.850 -0.734 1.00 0.00 C ATOM 306 CD2 LEU A 20 -2.212 -4.601 0.035 1.00 0.00 C ATOM 0 H LEU A 20 -3.463 -9.064 0.306 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.721 -8.602 -0.204 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.580 -7.136 -0.837 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.038 -6.941 0.843 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.901 -5.756 1.256 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.405 -4.934 -0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.456 -6.709 -0.519 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.572 -5.933 -1.748 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.604 -3.699 0.096 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.673 -4.662 -0.951 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.990 -4.566 0.798 1.00 0.00 H new ATOM 318 N LYS A 21 -1.675 -8.557 2.947 1.00 0.00 N ATOM 319 CA LYS A 21 -1.174 -8.564 4.322 1.00 0.00 C ATOM 320 C LYS A 21 -0.155 -9.677 4.502 1.00 0.00 C ATOM 321 O LYS A 21 0.932 -9.452 5.044 1.00 0.00 O ATOM 322 CB LYS A 21 -2.308 -8.749 5.341 1.00 0.00 C ATOM 323 CG LYS A 21 -3.398 -7.689 5.306 1.00 0.00 C ATOM 324 CD LYS A 21 -2.858 -6.285 5.526 1.00 0.00 C ATOM 325 CE LYS A 21 -3.988 -5.267 5.539 1.00 0.00 C ATOM 326 NZ LYS A 21 -4.934 -5.500 6.648 1.00 0.00 N ATOM 0 H LYS A 21 -2.679 -8.716 2.863 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.706 -7.596 4.502 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.767 -9.723 5.175 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.875 -8.767 6.341 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.909 -7.731 4.344 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.141 -7.912 6.072 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.314 -6.243 6.470 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.148 -6.036 4.738 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.570 -4.264 5.624 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.524 -5.309 4.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.845 -5.825 6.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.549 -6.225 7.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.076 -4.615 7.175 1.00 0.00 H new ATOM 340 N THR A 22 -0.496 -10.861 4.019 1.00 0.00 N ATOM 341 CA THR A 22 0.373 -12.014 4.106 1.00 0.00 C ATOM 342 C THR A 22 1.715 -11.742 3.386 1.00 0.00 C ATOM 343 O THR A 22 2.795 -11.961 3.951 1.00 0.00 O ATOM 344 CB THR A 22 -0.316 -13.245 3.469 1.00 0.00 C ATOM 345 OG1 THR A 22 -1.599 -13.465 4.091 1.00 0.00 O ATOM 346 CG2 THR A 22 0.540 -14.493 3.626 1.00 0.00 C ATOM 0 H THR A 22 -1.386 -11.046 3.556 1.00 0.00 H new ATOM 0 HA THR A 22 0.573 -12.214 5.159 1.00 0.00 H new ATOM 0 HB THR A 22 -0.449 -13.046 2.406 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.238 -12.797 3.767 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.032 -15.342 3.170 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.501 -14.339 3.136 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.701 -14.693 4.685 1.00 0.00 H new ATOM 354 N ALA A 23 1.628 -11.203 2.177 1.00 0.00 N ATOM 355 CA ALA A 23 2.795 -10.935 1.349 1.00 0.00 C ATOM 356 C ALA A 23 3.769 -9.953 2.013 1.00 0.00 C ATOM 357 O ALA A 23 4.999 -10.160 1.991 1.00 0.00 O ATOM 358 CB ALA A 23 2.361 -10.424 -0.011 1.00 0.00 C ATOM 0 H ALA A 23 0.744 -10.939 1.742 1.00 0.00 H new ATOM 0 HA ALA A 23 3.332 -11.875 1.225 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.241 -10.226 -0.623 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.740 -11.174 -0.500 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.790 -9.504 0.111 1.00 0.00 H new ATOM 364 N LEU A 24 3.238 -8.908 2.621 1.00 0.00 N ATOM 365 CA LEU A 24 4.082 -7.910 3.271 1.00 0.00 C ATOM 366 C LEU A 24 4.644 -8.430 4.572 1.00 0.00 C ATOM 367 O LEU A 24 5.775 -8.109 4.931 1.00 0.00 O ATOM 368 CB LEU A 24 3.339 -6.613 3.526 1.00 0.00 C ATOM 369 CG LEU A 24 2.739 -5.880 2.321 1.00 0.00 C ATOM 370 CD1 LEU A 24 2.104 -4.590 2.773 1.00 0.00 C ATOM 371 CD2 LEU A 24 3.775 -5.579 1.258 1.00 0.00 C ATOM 0 H LEU A 24 2.236 -8.725 2.681 1.00 0.00 H new ATOM 0 HA LEU A 24 4.902 -7.706 2.582 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.530 -6.823 4.226 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.024 -5.928 4.027 1.00 0.00 H new ATOM 0 HG LEU A 24 1.991 -6.539 1.881 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.679 -4.073 1.913 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.315 -4.806 3.493 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.858 -3.957 3.240 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.301 -5.059 0.425 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.558 -4.949 1.681 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.213 -6.512 0.902 1.00 0.00 H new ATOM 383 N THR A 25 3.867 -9.219 5.267 1.00 0.00 N ATOM 384 CA THR A 25 4.301 -9.804 6.510 1.00 0.00 C ATOM 385 C THR A 25 5.449 -10.806 6.258 1.00 0.00 C ATOM 386 O THR A 25 6.423 -10.850 7.013 1.00 0.00 O ATOM 387 CB THR A 25 3.106 -10.476 7.230 1.00 0.00 C ATOM 388 OG1 THR A 25 2.092 -9.482 7.479 1.00 0.00 O ATOM 389 CG2 THR A 25 3.522 -11.115 8.551 1.00 0.00 C ATOM 0 H THR A 25 2.919 -9.474 4.989 1.00 0.00 H new ATOM 0 HA THR A 25 4.684 -9.018 7.161 1.00 0.00 H new ATOM 0 HB THR A 25 2.723 -11.267 6.586 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.493 -9.425 6.705 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.653 -11.575 9.022 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.279 -11.877 8.364 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.931 -10.351 9.212 1.00 0.00 H new ATOM 397 N ALA A 26 5.353 -11.560 5.165 1.00 0.00 N ATOM 398 CA ALA A 26 6.388 -12.521 4.789 1.00 0.00 C ATOM 399 C ALA A 26 7.715 -11.823 4.489 1.00 0.00 C ATOM 400 O ALA A 26 8.772 -12.247 4.949 1.00 0.00 O ATOM 401 CB ALA A 26 5.943 -13.329 3.577 1.00 0.00 C ATOM 0 H ALA A 26 4.563 -11.523 4.520 1.00 0.00 H new ATOM 0 HA ALA A 26 6.540 -13.192 5.634 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.723 -14.041 3.308 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.026 -13.868 3.816 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.760 -12.657 2.739 1.00 0.00 H new ATOM 407 N ASN A 27 7.646 -10.724 3.760 1.00 0.00 N ATOM 408 CA ASN A 27 8.859 -9.997 3.349 1.00 0.00 C ATOM 409 C ASN A 27 9.312 -8.996 4.395 1.00 0.00 C ATOM 410 O ASN A 27 10.379 -8.381 4.261 1.00 0.00 O ATOM 411 CB ASN A 27 8.666 -9.315 1.993 1.00 0.00 C ATOM 412 CG ASN A 27 8.602 -10.296 0.848 1.00 0.00 C ATOM 413 OD1 ASN A 27 9.618 -10.609 0.236 1.00 0.00 O ATOM 414 ND2 ASN A 27 7.426 -10.791 0.552 1.00 0.00 N ATOM 0 H ASN A 27 6.773 -10.308 3.436 1.00 0.00 H new ATOM 0 HA ASN A 27 9.650 -10.740 3.249 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.748 -8.728 2.014 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.486 -8.618 1.822 1.00 0.00 H new ATOM 0 HD21 ASN A 27 7.332 -11.462 -0.211 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.604 -10.506 1.084 1.00 0.00 H new ATOM 421 N ARG A 28 8.499 -8.853 5.427 1.00 0.00 N ATOM 422 CA ARG A 28 8.751 -7.993 6.581 1.00 0.00 C ATOM 423 C ARG A 28 8.806 -6.508 6.226 1.00 0.00 C ATOM 424 O ARG A 28 9.846 -5.852 6.359 1.00 0.00 O ATOM 425 CB ARG A 28 9.995 -8.422 7.370 1.00 0.00 C ATOM 426 CG ARG A 28 9.949 -9.859 7.848 1.00 0.00 C ATOM 427 CD ARG A 28 11.206 -10.235 8.598 1.00 0.00 C ATOM 428 NE ARG A 28 11.182 -11.638 9.004 1.00 0.00 N ATOM 429 CZ ARG A 28 11.814 -12.145 10.061 1.00 0.00 C ATOM 430 NH1 ARG A 28 12.629 -11.380 10.797 1.00 0.00 N ATOM 431 NH2 ARG A 28 11.647 -13.425 10.366 1.00 0.00 N ATOM 0 H ARG A 28 7.610 -9.349 5.491 1.00 0.00 H new ATOM 0 HA ARG A 28 7.887 -8.126 7.232 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.876 -8.285 6.744 1.00 0.00 H new ATOM 0 HB3 ARG A 28 10.112 -7.765 8.232 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.083 -10.001 8.494 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.822 -10.524 6.994 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.077 -10.051 7.968 1.00 0.00 H new ATOM 0 HD3 ARG A 28 11.310 -9.601 9.479 1.00 0.00 H new ATOM 0 HE ARG A 28 10.637 -12.282 8.431 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.770 -10.400 10.550 1.00 0.00 H new ATOM 0 HH12 ARG A 28 13.109 -11.777 11.605 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.039 -14.011 9.793 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.126 -13.824 11.173 1.00 0.00 H new ATOM 445 N ILE A 29 7.709 -5.999 5.723 1.00 0.00 N ATOM 446 CA ILE A 29 7.582 -4.577 5.483 1.00 0.00 C ATOM 447 C ILE A 29 6.728 -4.006 6.610 1.00 0.00 C ATOM 448 O ILE A 29 5.774 -4.658 7.047 1.00 0.00 O ATOM 449 CB ILE A 29 6.933 -4.200 4.076 1.00 0.00 C ATOM 450 CG1 ILE A 29 7.826 -4.582 2.874 1.00 0.00 C ATOM 451 CG2 ILE A 29 6.616 -2.714 3.989 1.00 0.00 C ATOM 452 CD1 ILE A 29 7.861 -6.034 2.518 1.00 0.00 C ATOM 0 H ILE A 29 6.887 -6.547 5.470 1.00 0.00 H new ATOM 0 HA ILE A 29 8.586 -4.153 5.457 1.00 0.00 H new ATOM 0 HB ILE A 29 6.014 -4.783 4.020 1.00 0.00 H new ATOM 0 HG12 ILE A 29 7.486 -4.023 2.002 1.00 0.00 H new ATOM 0 HG13 ILE A 29 8.844 -4.255 3.085 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.175 -2.492 3.017 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.912 -2.445 4.777 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.534 -2.138 4.111 1.00 0.00 H new ATOM 0 HD11 ILE A 29 8.518 -6.183 1.661 1.00 0.00 H new ATOM 0 HD12 ILE A 29 8.235 -6.608 3.366 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.855 -6.371 2.266 1.00 0.00 H new ATOM 464 N ALA A 30 7.101 -2.853 7.128 1.00 0.00 N ATOM 465 CA ALA A 30 6.307 -2.192 8.139 1.00 0.00 C ATOM 466 C ALA A 30 5.305 -1.291 7.462 1.00 0.00 C ATOM 467 O ALA A 30 5.663 -0.249 6.904 1.00 0.00 O ATOM 468 CB ALA A 30 7.179 -1.390 9.070 1.00 0.00 C ATOM 0 H ALA A 30 7.951 -2.355 6.864 1.00 0.00 H new ATOM 0 HA ALA A 30 5.788 -2.945 8.733 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.557 -0.903 9.821 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.891 -2.052 9.562 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.720 -0.634 8.501 1.00 0.00 H new ATOM 474 N TYR A 31 4.079 -1.678 7.503 1.00 0.00 N ATOM 475 CA TYR A 31 3.040 -0.976 6.807 1.00 0.00 C ATOM 476 C TYR A 31 1.978 -0.492 7.752 1.00 0.00 C ATOM 477 O TYR A 31 1.824 -1.013 8.859 1.00 0.00 O ATOM 478 CB TYR A 31 2.428 -1.872 5.711 1.00 0.00 C ATOM 479 CG TYR A 31 1.942 -3.226 6.206 1.00 0.00 C ATOM 480 CD1 TYR A 31 2.816 -4.294 6.293 1.00 0.00 C ATOM 481 CD2 TYR A 31 0.621 -3.432 6.581 1.00 0.00 C ATOM 482 CE1 TYR A 31 2.404 -5.523 6.738 1.00 0.00 C ATOM 483 CE2 TYR A 31 0.200 -4.666 7.030 1.00 0.00 C ATOM 484 CZ TYR A 31 1.101 -5.708 7.104 1.00 0.00 C ATOM 485 OH TYR A 31 0.700 -6.937 7.548 1.00 0.00 O ATOM 0 H TYR A 31 3.759 -2.496 8.022 1.00 0.00 H new ATOM 0 HA TYR A 31 3.484 -0.100 6.334 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.591 -1.345 5.253 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.172 -2.030 4.930 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.847 -4.156 6.004 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.085 -2.617 6.520 1.00 0.00 H new ATOM 0 HE1 TYR A 31 3.106 -6.341 6.799 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.829 -4.816 7.322 1.00 0.00 H new ATOM 0 HH TYR A 31 1.419 -7.587 7.404 1.00 0.00 H new ATOM 495 N ASP A 32 1.284 0.511 7.327 1.00 0.00 N ATOM 496 CA ASP A 32 0.175 1.070 8.051 1.00 0.00 C ATOM 497 C ASP A 32 -1.084 0.711 7.301 1.00 0.00 C ATOM 498 O ASP A 32 -1.069 0.668 6.081 1.00 0.00 O ATOM 499 CB ASP A 32 0.334 2.588 8.147 1.00 0.00 C ATOM 500 CG ASP A 32 -0.845 3.274 8.767 1.00 0.00 C ATOM 501 OD1 ASP A 32 -1.079 3.110 9.990 1.00 0.00 O ATOM 502 OD2 ASP A 32 -1.552 3.984 8.053 1.00 0.00 O ATOM 0 H ASP A 32 1.473 0.982 6.442 1.00 0.00 H new ATOM 0 HA ASP A 32 0.131 0.674 9.066 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.226 2.816 8.731 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.496 2.992 7.148 1.00 0.00 H new ATOM 507 N GLU A 33 -2.139 0.411 7.994 1.00 0.00 N ATOM 508 CA GLU A 33 -3.367 0.010 7.356 1.00 0.00 C ATOM 509 C GLU A 33 -4.544 0.716 7.987 1.00 0.00 C ATOM 510 O GLU A 33 -4.644 0.806 9.219 1.00 0.00 O ATOM 511 CB GLU A 33 -3.541 -1.511 7.446 1.00 0.00 C ATOM 512 CG GLU A 33 -3.543 -2.043 8.870 1.00 0.00 C ATOM 513 CD GLU A 33 -3.788 -3.509 8.941 1.00 0.00 C ATOM 514 OE1 GLU A 33 -4.954 -3.934 8.843 1.00 0.00 O ATOM 515 OE2 GLU A 33 -2.824 -4.275 9.085 1.00 0.00 O ATOM 0 H GLU A 33 -2.179 0.435 9.013 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.321 0.292 6.304 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.477 -1.790 6.962 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.738 -1.993 6.889 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.585 -1.817 9.338 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.309 -1.524 9.445 1.00 0.00 H new ATOM 522 N VAL A 34 -5.392 1.257 7.175 1.00 0.00 N ATOM 523 CA VAL A 34 -6.579 1.889 7.651 1.00 0.00 C ATOM 524 C VAL A 34 -7.736 1.518 6.746 1.00 0.00 C ATOM 525 O VAL A 34 -7.602 1.535 5.512 1.00 0.00 O ATOM 526 CB VAL A 34 -6.411 3.441 7.808 1.00 0.00 C ATOM 527 CG1 VAL A 34 -6.011 4.122 6.521 1.00 0.00 C ATOM 528 CG2 VAL A 34 -7.661 4.072 8.376 1.00 0.00 C ATOM 0 H VAL A 34 -5.281 1.273 6.161 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.791 1.525 8.656 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.593 3.588 8.513 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.910 5.194 6.693 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.059 3.718 6.177 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.775 3.946 5.764 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.514 5.148 8.473 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.501 3.879 7.709 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.871 3.645 9.356 1.00 0.00 H new ATOM 538 N ASP A 35 -8.840 1.108 7.331 1.00 0.00 N ATOM 539 CA ASP A 35 -9.974 0.743 6.528 1.00 0.00 C ATOM 540 C ASP A 35 -10.704 1.994 6.089 1.00 0.00 C ATOM 541 O ASP A 35 -10.881 2.954 6.855 1.00 0.00 O ATOM 542 CB ASP A 35 -10.917 -0.220 7.286 1.00 0.00 C ATOM 543 CG ASP A 35 -11.492 0.358 8.567 1.00 0.00 C ATOM 544 OD1 ASP A 35 -10.807 0.302 9.634 1.00 0.00 O ATOM 545 OD2 ASP A 35 -12.627 0.862 8.550 1.00 0.00 O ATOM 0 H ASP A 35 -8.971 1.022 8.339 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.622 0.210 5.645 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -11.738 -0.502 6.627 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -10.372 -1.133 7.524 1.00 0.00 H new ATOM 550 N ILE A 36 -11.140 1.974 4.868 1.00 0.00 N ATOM 551 CA ILE A 36 -11.769 3.129 4.261 1.00 0.00 C ATOM 552 C ILE A 36 -13.235 3.242 4.573 1.00 0.00 C ATOM 553 O ILE A 36 -13.845 4.284 4.353 1.00 0.00 O ATOM 554 CB ILE A 36 -11.530 3.176 2.763 1.00 0.00 C ATOM 555 CG1 ILE A 36 -12.180 1.967 2.076 1.00 0.00 C ATOM 556 CG2 ILE A 36 -10.031 3.204 2.526 1.00 0.00 C ATOM 557 CD1 ILE A 36 -12.068 1.959 0.574 1.00 0.00 C ATOM 0 H ILE A 36 -11.075 1.161 4.255 1.00 0.00 H new ATOM 0 HA ILE A 36 -11.288 3.996 4.713 1.00 0.00 H new ATOM 0 HB ILE A 36 -11.984 4.070 2.335 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.724 1.057 2.465 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -13.235 1.936 2.348 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.833 3.238 1.455 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.604 4.086 3.002 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.579 2.308 2.950 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.555 1.068 0.178 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -12.551 2.848 0.168 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -11.016 1.955 0.288 1.00 0.00 H new ATOM 569 N GLU A 37 -13.807 2.166 5.060 1.00 0.00 N ATOM 570 CA GLU A 37 -15.201 2.172 5.408 1.00 0.00 C ATOM 571 C GLU A 37 -15.446 3.097 6.592 1.00 0.00 C ATOM 572 O GLU A 37 -16.472 3.778 6.656 1.00 0.00 O ATOM 573 CB GLU A 37 -15.747 0.757 5.628 1.00 0.00 C ATOM 574 CG GLU A 37 -14.823 -0.159 6.397 1.00 0.00 C ATOM 575 CD GLU A 37 -15.473 -1.461 6.765 1.00 0.00 C ATOM 576 OE1 GLU A 37 -16.099 -1.537 7.849 1.00 0.00 O ATOM 577 OE2 GLU A 37 -15.387 -2.431 5.980 1.00 0.00 O ATOM 0 H GLU A 37 -13.328 1.280 5.222 1.00 0.00 H new ATOM 0 HA GLU A 37 -15.764 2.570 4.564 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -16.695 0.826 6.161 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -15.958 0.308 4.658 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.934 -0.358 5.798 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -14.490 0.345 7.304 1.00 0.00 H new ATOM 584 N HIS A 38 -14.483 3.163 7.497 1.00 0.00 N ATOM 585 CA HIS A 38 -14.559 4.102 8.592 1.00 0.00 C ATOM 586 C HIS A 38 -14.176 5.505 8.110 1.00 0.00 C ATOM 587 O HIS A 38 -14.916 6.472 8.325 1.00 0.00 O ATOM 588 CB HIS A 38 -13.651 3.661 9.753 1.00 0.00 C ATOM 589 CG HIS A 38 -13.611 4.614 10.923 1.00 0.00 C ATOM 590 ND1 HIS A 38 -12.481 5.298 11.320 1.00 0.00 N ATOM 591 CD2 HIS A 38 -14.591 4.986 11.784 1.00 0.00 C ATOM 592 CE1 HIS A 38 -12.799 6.042 12.377 1.00 0.00 C ATOM 593 NE2 HIS A 38 -14.068 5.894 12.703 1.00 0.00 N ATOM 0 H HIS A 38 -13.647 2.579 7.491 1.00 0.00 H new ATOM 0 HA HIS A 38 -15.586 4.126 8.958 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -13.986 2.686 10.108 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -12.637 3.531 9.374 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -15.612 4.635 11.761 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -12.106 6.684 12.900 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -14.564 6.350 13.469 1.00 0.00 H new ATOM 601 N ASN A 39 -13.049 5.610 7.430 1.00 0.00 N ATOM 602 CA ASN A 39 -12.560 6.914 7.013 1.00 0.00 C ATOM 603 C ASN A 39 -13.026 7.333 5.647 1.00 0.00 C ATOM 604 O ASN A 39 -12.519 6.870 4.621 1.00 0.00 O ATOM 605 CB ASN A 39 -11.049 7.061 7.142 1.00 0.00 C ATOM 606 CG ASN A 39 -10.594 7.115 8.577 1.00 0.00 C ATOM 607 OD1 ASN A 39 -11.335 7.522 9.467 1.00 0.00 O ATOM 608 ND2 ASN A 39 -9.381 6.758 8.808 1.00 0.00 N ATOM 0 H ASN A 39 -12.462 4.822 7.157 1.00 0.00 H new ATOM 0 HA ASN A 39 -13.016 7.603 7.723 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.562 6.224 6.641 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.731 7.969 6.629 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.006 6.808 9.755 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.793 6.425 8.044 1.00 0.00 H new ATOM 615 N ARG A 40 -13.965 8.243 5.661 1.00 0.00 N ATOM 616 CA ARG A 40 -14.574 8.849 4.489 1.00 0.00 C ATOM 617 C ARG A 40 -13.518 9.497 3.587 1.00 0.00 C ATOM 618 O ARG A 40 -13.541 9.324 2.366 1.00 0.00 O ATOM 619 CB ARG A 40 -15.560 9.904 4.982 1.00 0.00 C ATOM 620 CG ARG A 40 -16.184 10.772 3.919 1.00 0.00 C ATOM 621 CD ARG A 40 -17.032 11.840 4.570 1.00 0.00 C ATOM 622 NE ARG A 40 -17.549 12.806 3.613 1.00 0.00 N ATOM 623 CZ ARG A 40 -17.971 14.035 3.930 1.00 0.00 C ATOM 624 NH1 ARG A 40 -17.906 14.464 5.191 1.00 0.00 N ATOM 625 NH2 ARG A 40 -18.450 14.836 2.987 1.00 0.00 N ATOM 0 H ARG A 40 -14.351 8.605 6.533 1.00 0.00 H new ATOM 0 HA ARG A 40 -15.079 8.086 3.897 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -16.358 9.400 5.527 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -15.046 10.549 5.694 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -15.407 11.232 3.309 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -16.795 10.164 3.252 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -17.865 11.369 5.091 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -16.439 12.361 5.322 1.00 0.00 H new ATOM 0 HE ARG A 40 -17.593 12.527 2.633 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -17.533 13.854 5.919 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -18.229 15.402 5.428 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -18.497 14.515 2.020 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -18.772 15.773 3.229 1.00 0.00 H new ATOM 639 N ALA A 41 -12.583 10.217 4.197 1.00 0.00 N ATOM 640 CA ALA A 41 -11.536 10.910 3.454 1.00 0.00 C ATOM 641 C ALA A 41 -10.621 9.916 2.760 1.00 0.00 C ATOM 642 O ALA A 41 -10.213 10.120 1.617 1.00 0.00 O ATOM 643 CB ALA A 41 -10.733 11.818 4.370 1.00 0.00 C ATOM 0 H ALA A 41 -12.529 10.336 5.209 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.015 11.527 2.694 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.959 12.324 3.793 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.394 12.560 4.818 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.269 11.223 5.157 1.00 0.00 H new ATOM 649 N ALA A 42 -10.338 8.818 3.434 1.00 0.00 N ATOM 650 CA ALA A 42 -9.482 7.802 2.872 1.00 0.00 C ATOM 651 C ALA A 42 -10.193 7.081 1.745 1.00 0.00 C ATOM 652 O ALA A 42 -9.587 6.777 0.724 1.00 0.00 O ATOM 653 CB ALA A 42 -9.018 6.826 3.929 1.00 0.00 C ATOM 0 H ALA A 42 -10.689 8.611 4.369 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.596 8.291 2.468 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.375 6.074 3.472 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.461 7.361 4.698 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.883 6.339 4.379 1.00 0.00 H new ATOM 659 N ALA A 43 -11.490 6.839 1.935 1.00 0.00 N ATOM 660 CA ALA A 43 -12.338 6.194 0.930 1.00 0.00 C ATOM 661 C ALA A 43 -12.401 7.030 -0.335 1.00 0.00 C ATOM 662 O ALA A 43 -12.403 6.499 -1.450 1.00 0.00 O ATOM 663 CB ALA A 43 -13.736 5.975 1.480 1.00 0.00 C ATOM 0 H ALA A 43 -11.985 7.085 2.792 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.900 5.226 0.685 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -14.354 5.495 0.722 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -13.684 5.338 2.363 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.175 6.935 1.751 1.00 0.00 H new ATOM 669 N GLU A 44 -12.470 8.335 -0.150 1.00 0.00 N ATOM 670 CA GLU A 44 -12.458 9.282 -1.244 1.00 0.00 C ATOM 671 C GLU A 44 -11.141 9.146 -2.009 1.00 0.00 C ATOM 672 O GLU A 44 -11.122 8.957 -3.238 1.00 0.00 O ATOM 673 CB GLU A 44 -12.576 10.705 -0.681 1.00 0.00 C ATOM 674 CG GLU A 44 -12.638 11.794 -1.735 1.00 0.00 C ATOM 675 CD GLU A 44 -13.903 11.743 -2.535 1.00 0.00 C ATOM 676 OE1 GLU A 44 -14.027 10.893 -3.428 1.00 0.00 O ATOM 677 OE2 GLU A 44 -14.821 12.551 -2.268 1.00 0.00 O ATOM 0 H GLU A 44 -12.536 8.769 0.771 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.294 9.084 -1.915 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -13.471 10.764 -0.062 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.724 10.896 -0.029 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.555 12.768 -1.253 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.784 11.697 -2.405 1.00 0.00 H new ATOM 684 N PHE A 45 -10.059 9.199 -1.251 1.00 0.00 N ATOM 685 CA PHE A 45 -8.708 9.123 -1.764 1.00 0.00 C ATOM 686 C PHE A 45 -8.477 7.848 -2.594 1.00 0.00 C ATOM 687 O PHE A 45 -8.190 7.924 -3.792 1.00 0.00 O ATOM 688 CB PHE A 45 -7.712 9.207 -0.591 1.00 0.00 C ATOM 689 CG PHE A 45 -6.277 9.131 -1.004 1.00 0.00 C ATOM 690 CD1 PHE A 45 -5.625 10.247 -1.500 1.00 0.00 C ATOM 691 CD2 PHE A 45 -5.584 7.938 -0.915 1.00 0.00 C ATOM 692 CE1 PHE A 45 -4.307 10.176 -1.897 1.00 0.00 C ATOM 693 CE2 PHE A 45 -4.273 7.862 -1.313 1.00 0.00 C ATOM 694 CZ PHE A 45 -3.630 8.980 -1.804 1.00 0.00 C ATOM 0 H PHE A 45 -10.100 9.299 -0.237 1.00 0.00 H new ATOM 0 HA PHE A 45 -8.548 9.965 -2.437 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.876 10.142 -0.055 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -7.921 8.398 0.108 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -6.156 11.185 -1.577 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.078 7.059 -0.529 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.807 11.054 -2.279 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.743 6.924 -1.242 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.598 8.917 -2.115 1.00 0.00 H new ATOM 704 N VAL A 46 -8.645 6.691 -1.971 1.00 0.00 N ATOM 705 CA VAL A 46 -8.402 5.411 -2.640 1.00 0.00 C ATOM 706 C VAL A 46 -9.396 5.170 -3.786 1.00 0.00 C ATOM 707 O VAL A 46 -9.052 4.562 -4.800 1.00 0.00 O ATOM 708 CB VAL A 46 -8.386 4.225 -1.630 1.00 0.00 C ATOM 709 CG1 VAL A 46 -9.648 4.133 -0.887 1.00 0.00 C ATOM 710 CG2 VAL A 46 -8.137 2.917 -2.294 1.00 0.00 C ATOM 0 H VAL A 46 -8.949 6.607 -1.001 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.408 5.466 -3.084 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.566 4.436 -0.944 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -9.601 3.295 -0.192 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -9.811 5.056 -0.331 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.471 3.980 -1.585 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.136 2.124 -1.546 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -8.922 2.725 -3.025 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.171 2.943 -2.797 1.00 0.00 H new ATOM 720 N GLY A 47 -10.595 5.716 -3.648 1.00 0.00 N ATOM 721 CA GLY A 47 -11.590 5.575 -4.680 1.00 0.00 C ATOM 722 C GLY A 47 -11.225 6.349 -5.933 1.00 0.00 C ATOM 723 O GLY A 47 -11.713 6.053 -7.026 1.00 0.00 O ATOM 0 H GLY A 47 -10.893 6.255 -2.835 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.708 4.520 -4.927 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.552 5.924 -4.306 1.00 0.00 H new ATOM 727 N SER A 48 -10.379 7.344 -5.770 1.00 0.00 N ATOM 728 CA SER A 48 -9.925 8.155 -6.873 1.00 0.00 C ATOM 729 C SER A 48 -8.737 7.492 -7.604 1.00 0.00 C ATOM 730 O SER A 48 -8.647 7.530 -8.830 1.00 0.00 O ATOM 731 CB SER A 48 -9.517 9.537 -6.357 1.00 0.00 C ATOM 732 OG SER A 48 -10.591 10.160 -5.637 1.00 0.00 O ATOM 0 H SER A 48 -9.988 7.611 -4.867 1.00 0.00 H new ATOM 0 HA SER A 48 -10.743 8.256 -7.586 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.647 9.443 -5.708 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.223 10.169 -7.195 1.00 0.00 H new ATOM 0 HG SER A 48 -10.725 9.697 -4.784 1.00 0.00 H new ATOM 738 N VAL A 49 -7.869 6.845 -6.844 1.00 0.00 N ATOM 739 CA VAL A 49 -6.604 6.300 -7.375 1.00 0.00 C ATOM 740 C VAL A 49 -6.683 4.807 -7.695 1.00 0.00 C ATOM 741 O VAL A 49 -5.649 4.143 -7.929 1.00 0.00 O ATOM 742 CB VAL A 49 -5.441 6.539 -6.377 1.00 0.00 C ATOM 743 CG1 VAL A 49 -5.226 8.018 -6.165 1.00 0.00 C ATOM 744 CG2 VAL A 49 -5.729 5.871 -5.045 1.00 0.00 C ATOM 0 H VAL A 49 -8.008 6.677 -5.848 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.417 6.832 -8.308 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.537 6.102 -6.802 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.407 8.170 -5.462 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.980 8.490 -7.116 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.136 8.464 -5.763 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.900 6.052 -4.361 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.645 6.283 -4.622 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.849 4.798 -5.194 1.00 0.00 H new ATOM 754 N ASN A 50 -7.876 4.277 -7.725 1.00 0.00 N ATOM 755 CA ASN A 50 -8.053 2.855 -7.951 1.00 0.00 C ATOM 756 C ASN A 50 -7.928 2.507 -9.416 1.00 0.00 C ATOM 757 O ASN A 50 -7.770 3.385 -10.274 1.00 0.00 O ATOM 758 CB ASN A 50 -9.390 2.346 -7.397 1.00 0.00 C ATOM 759 CG ASN A 50 -9.213 1.255 -6.357 1.00 0.00 C ATOM 760 OD1 ASN A 50 -9.998 0.314 -6.273 1.00 0.00 O ATOM 761 ND2 ASN A 50 -8.230 1.386 -5.537 1.00 0.00 N ATOM 0 H ASN A 50 -8.742 4.801 -7.597 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.253 2.353 -7.408 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -9.937 3.179 -6.955 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.998 1.965 -8.218 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.089 0.699 -4.796 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.592 2.177 -5.628 1.00 0.00 H new ATOM 768 N GLY A 51 -7.988 1.236 -9.705 1.00 0.00 N ATOM 769 CA GLY A 51 -7.882 0.785 -11.054 1.00 0.00 C ATOM 770 C GLY A 51 -9.241 0.532 -11.624 1.00 0.00 C ATOM 771 O GLY A 51 -9.777 -0.569 -11.494 1.00 0.00 O ATOM 0 H GLY A 51 -8.111 0.495 -9.015 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.361 1.531 -11.654 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.288 -0.128 -11.094 1.00 0.00 H new ATOM 775 N GLY A 52 -9.824 1.559 -12.188 1.00 0.00 N ATOM 776 CA GLY A 52 -11.119 1.442 -12.790 1.00 0.00 C ATOM 777 C GLY A 52 -12.195 1.967 -11.883 1.00 0.00 C ATOM 778 O GLY A 52 -12.751 3.049 -12.116 1.00 0.00 O ATOM 0 H GLY A 52 -9.414 2.492 -12.241 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.135 1.991 -13.732 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.319 0.397 -13.027 1.00 0.00 H new ATOM 782 N ASN A 53 -12.467 1.236 -10.846 1.00 0.00 N ATOM 783 CA ASN A 53 -13.478 1.597 -9.879 1.00 0.00 C ATOM 784 C ASN A 53 -12.950 1.133 -8.531 1.00 0.00 C ATOM 785 O ASN A 53 -12.019 0.325 -8.507 1.00 0.00 O ATOM 786 CB ASN A 53 -14.801 0.880 -10.232 1.00 0.00 C ATOM 787 CG ASN A 53 -16.039 1.515 -9.611 1.00 0.00 C ATOM 788 OD1 ASN A 53 -15.989 2.131 -8.553 1.00 0.00 O ATOM 789 ND2 ASN A 53 -17.154 1.382 -10.277 1.00 0.00 N ATOM 0 H ASN A 53 -11.991 0.358 -10.638 1.00 0.00 H new ATOM 0 HA ASN A 53 -13.679 2.668 -9.867 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.917 0.868 -11.316 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -14.737 -0.158 -9.907 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -18.014 1.797 -9.919 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -17.165 0.863 -11.155 1.00 0.00 H new ATOM 796 N ARG A 54 -13.489 1.637 -7.431 1.00 0.00 N ATOM 797 CA ARG A 54 -13.001 1.249 -6.109 1.00 0.00 C ATOM 798 C ARG A 54 -13.348 -0.211 -5.813 1.00 0.00 C ATOM 799 O ARG A 54 -14.521 -0.605 -5.777 1.00 0.00 O ATOM 800 CB ARG A 54 -13.447 2.207 -4.955 1.00 0.00 C ATOM 801 CG ARG A 54 -14.912 2.133 -4.489 1.00 0.00 C ATOM 802 CD ARG A 54 -15.897 2.547 -5.558 1.00 0.00 C ATOM 803 NE ARG A 54 -17.275 2.466 -5.085 1.00 0.00 N ATOM 804 CZ ARG A 54 -18.359 2.698 -5.831 1.00 0.00 C ATOM 805 NH1 ARG A 54 -18.235 2.943 -7.136 1.00 0.00 N ATOM 806 NH2 ARG A 54 -19.565 2.642 -5.275 1.00 0.00 N ATOM 0 H ARG A 54 -14.257 2.309 -7.423 1.00 0.00 H new ATOM 0 HA ARG A 54 -11.916 1.348 -6.143 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -12.810 2.011 -4.092 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.248 3.230 -5.273 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -15.135 1.114 -4.173 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -15.042 2.773 -3.616 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -15.681 3.567 -5.876 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -15.775 1.908 -6.432 1.00 0.00 H new ATOM 0 HE ARG A 54 -17.422 2.212 -4.108 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -17.311 2.954 -7.567 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -19.064 3.120 -7.703 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -19.660 2.423 -4.283 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -20.396 2.818 -5.840 1.00 0.00 H new ATOM 820 N THR A 55 -12.324 -1.002 -5.649 1.00 0.00 N ATOM 821 CA THR A 55 -12.475 -2.414 -5.437 1.00 0.00 C ATOM 822 C THR A 55 -11.166 -3.026 -4.880 1.00 0.00 C ATOM 823 O THR A 55 -11.192 -3.964 -4.062 1.00 0.00 O ATOM 824 CB THR A 55 -12.903 -3.110 -6.781 1.00 0.00 C ATOM 825 OG1 THR A 55 -13.091 -4.521 -6.611 1.00 0.00 O ATOM 826 CG2 THR A 55 -11.884 -2.849 -7.894 1.00 0.00 C ATOM 0 H THR A 55 -11.355 -0.683 -5.659 1.00 0.00 H new ATOM 0 HA THR A 55 -13.257 -2.582 -4.696 1.00 0.00 H new ATOM 0 HB THR A 55 -13.857 -2.671 -7.072 1.00 0.00 H new ATOM 0 HG1 THR A 55 -13.358 -4.921 -7.465 1.00 0.00 H new ATOM 0 HG21 THR A 55 -12.210 -3.344 -8.809 1.00 0.00 H new ATOM 0 HG22 THR A 55 -11.804 -1.776 -8.070 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.911 -3.241 -7.596 1.00 0.00 H new ATOM 834 N VAL A 56 -10.036 -2.462 -5.261 1.00 0.00 N ATOM 835 CA VAL A 56 -8.757 -3.017 -4.877 1.00 0.00 C ATOM 836 C VAL A 56 -7.991 -2.137 -3.900 1.00 0.00 C ATOM 837 O VAL A 56 -8.102 -0.905 -3.939 1.00 0.00 O ATOM 838 CB VAL A 56 -7.863 -3.347 -6.099 1.00 0.00 C ATOM 839 CG1 VAL A 56 -8.353 -4.595 -6.803 1.00 0.00 C ATOM 840 CG2 VAL A 56 -7.824 -2.190 -7.079 1.00 0.00 C ATOM 0 H VAL A 56 -9.980 -1.621 -5.835 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.000 -3.948 -4.365 1.00 0.00 H new ATOM 0 HB VAL A 56 -6.854 -3.522 -5.727 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.710 -4.807 -7.657 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.327 -5.437 -6.111 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.375 -4.441 -7.148 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.189 -2.451 -7.925 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -8.833 -1.979 -7.434 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.422 -1.307 -6.583 1.00 0.00 H new ATOM 850 N PRO A 57 -7.214 -2.764 -2.997 1.00 0.00 N ATOM 851 CA PRO A 57 -6.379 -2.053 -2.035 1.00 0.00 C ATOM 852 C PRO A 57 -5.342 -1.166 -2.732 1.00 0.00 C ATOM 853 O PRO A 57 -4.866 -1.475 -3.838 1.00 0.00 O ATOM 854 CB PRO A 57 -5.674 -3.178 -1.249 1.00 0.00 C ATOM 855 CG PRO A 57 -5.806 -4.386 -2.106 1.00 0.00 C ATOM 856 CD PRO A 57 -7.100 -4.225 -2.835 1.00 0.00 C ATOM 0 HA PRO A 57 -6.966 -1.387 -1.403 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -4.627 -2.936 -1.066 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.140 -3.332 -0.276 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.971 -4.465 -2.803 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.806 -5.295 -1.504 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.087 -4.737 -3.797 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.936 -4.634 -2.267 1.00 0.00 H new ATOM 864 N THR A 58 -5.035 -0.062 -2.128 1.00 0.00 N ATOM 865 CA THR A 58 -4.064 0.849 -2.664 1.00 0.00 C ATOM 866 C THR A 58 -3.103 1.253 -1.557 1.00 0.00 C ATOM 867 O THR A 58 -3.501 1.343 -0.394 1.00 0.00 O ATOM 868 CB THR A 58 -4.764 2.098 -3.231 1.00 0.00 C ATOM 869 OG1 THR A 58 -5.780 1.660 -4.133 1.00 0.00 O ATOM 870 CG2 THR A 58 -3.793 2.977 -4.003 1.00 0.00 C ATOM 0 H THR A 58 -5.450 0.238 -1.246 1.00 0.00 H new ATOM 0 HA THR A 58 -3.515 0.363 -3.470 1.00 0.00 H new ATOM 0 HB THR A 58 -5.173 2.677 -2.403 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.696 2.144 -4.981 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.320 3.849 -4.389 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.991 3.302 -3.341 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.371 2.411 -4.833 1.00 0.00 H new ATOM 878 N VAL A 59 -1.861 1.437 -1.901 1.00 0.00 N ATOM 879 CA VAL A 59 -0.860 1.851 -0.952 1.00 0.00 C ATOM 880 C VAL A 59 -0.409 3.263 -1.248 1.00 0.00 C ATOM 881 O VAL A 59 -0.147 3.606 -2.406 1.00 0.00 O ATOM 882 CB VAL A 59 0.379 0.911 -0.964 1.00 0.00 C ATOM 883 CG1 VAL A 59 0.035 -0.431 -0.405 1.00 0.00 C ATOM 884 CG2 VAL A 59 0.918 0.736 -2.362 1.00 0.00 C ATOM 0 H VAL A 59 -1.510 1.305 -2.849 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.318 1.803 0.036 1.00 0.00 H new ATOM 0 HB VAL A 59 1.143 1.379 -0.343 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.918 -1.070 -0.424 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.310 -0.319 0.623 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.754 -0.884 -1.005 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.784 0.074 -2.338 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.146 0.302 -2.998 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.214 1.706 -2.762 1.00 0.00 H new ATOM 894 N LYS A 60 -0.372 4.084 -0.241 1.00 0.00 N ATOM 895 CA LYS A 60 0.184 5.400 -0.384 1.00 0.00 C ATOM 896 C LYS A 60 1.494 5.389 0.319 1.00 0.00 C ATOM 897 O LYS A 60 1.546 5.093 1.510 1.00 0.00 O ATOM 898 CB LYS A 60 -0.677 6.475 0.259 1.00 0.00 C ATOM 899 CG LYS A 60 -0.156 7.887 -0.018 1.00 0.00 C ATOM 900 CD LYS A 60 -0.788 8.934 0.881 1.00 0.00 C ATOM 901 CE LYS A 60 -0.333 8.777 2.331 1.00 0.00 C ATOM 902 NZ LYS A 60 1.143 8.925 2.486 1.00 0.00 N ATOM 0 H LYS A 60 -0.721 3.866 0.692 1.00 0.00 H new ATOM 0 HA LYS A 60 0.261 5.631 -1.446 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.698 6.389 -0.113 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.715 6.310 1.336 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.925 7.903 0.117 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.351 8.143 -1.059 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.526 9.929 0.522 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.874 8.852 0.829 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.836 9.521 2.949 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.637 7.797 2.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.389 8.912 3.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.623 8.140 2.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.447 9.827 2.068 1.00 0.00 H new ATOM 916 N PHE A 61 2.527 5.700 -0.374 1.00 0.00 N ATOM 917 CA PHE A 61 3.828 5.690 0.215 1.00 0.00 C ATOM 918 C PHE A 61 4.116 7.022 0.873 1.00 0.00 C ATOM 919 O PHE A 61 3.284 7.955 0.817 1.00 0.00 O ATOM 920 CB PHE A 61 4.885 5.366 -0.828 1.00 0.00 C ATOM 921 CG PHE A 61 4.756 4.002 -1.435 1.00 0.00 C ATOM 922 CD1 PHE A 61 3.826 3.761 -2.422 1.00 0.00 C ATOM 923 CD2 PHE A 61 5.575 2.964 -1.026 1.00 0.00 C ATOM 924 CE1 PHE A 61 3.710 2.526 -2.992 1.00 0.00 C ATOM 925 CE2 PHE A 61 5.461 1.713 -1.595 1.00 0.00 C ATOM 926 CZ PHE A 61 4.528 1.495 -2.581 1.00 0.00 C ATOM 0 H PHE A 61 2.503 5.968 -1.358 1.00 0.00 H new ATOM 0 HA PHE A 61 3.857 4.914 0.980 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.835 6.110 -1.623 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.870 5.455 -0.370 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.179 4.561 -2.750 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.310 3.135 -0.254 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.976 2.356 -3.766 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.102 0.908 -1.267 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.436 0.518 -3.033 1.00 0.00 H new ATOM 936 N ALA A 62 5.274 7.115 1.488 1.00 0.00 N ATOM 937 CA ALA A 62 5.727 8.319 2.173 1.00 0.00 C ATOM 938 C ALA A 62 5.889 9.502 1.214 1.00 0.00 C ATOM 939 O ALA A 62 5.829 10.662 1.631 1.00 0.00 O ATOM 940 CB ALA A 62 7.041 8.037 2.869 1.00 0.00 C ATOM 0 H ALA A 62 5.943 6.346 1.530 1.00 0.00 H new ATOM 0 HA ALA A 62 4.966 8.594 2.903 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.381 8.937 3.382 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.904 7.235 3.595 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.786 7.736 2.132 1.00 0.00 H new ATOM 946 N ASP A 63 6.054 9.198 -0.064 1.00 0.00 N ATOM 947 CA ASP A 63 6.257 10.214 -1.096 1.00 0.00 C ATOM 948 C ASP A 63 4.920 10.792 -1.541 1.00 0.00 C ATOM 949 O ASP A 63 4.864 11.816 -2.248 1.00 0.00 O ATOM 950 CB ASP A 63 7.019 9.634 -2.310 1.00 0.00 C ATOM 951 CG ASP A 63 6.220 8.632 -3.141 1.00 0.00 C ATOM 952 OD1 ASP A 63 5.328 7.959 -2.600 1.00 0.00 O ATOM 953 OD2 ASP A 63 6.510 8.491 -4.359 1.00 0.00 O ATOM 0 H ASP A 63 6.052 8.242 -0.419 1.00 0.00 H new ATOM 0 HA ASP A 63 6.863 11.012 -0.666 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.329 10.456 -2.955 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.928 9.149 -1.954 1.00 0.00 H new ATOM 958 N GLY A 64 3.853 10.142 -1.126 1.00 0.00 N ATOM 959 CA GLY A 64 2.520 10.590 -1.437 1.00 0.00 C ATOM 960 C GLY A 64 1.987 9.967 -2.704 1.00 0.00 C ATOM 961 O GLY A 64 0.885 10.291 -3.146 1.00 0.00 O ATOM 0 H GLY A 64 3.889 9.291 -0.565 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.855 10.348 -0.608 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.519 11.675 -1.540 1.00 0.00 H new ATOM 965 N SER A 65 2.744 9.076 -3.290 1.00 0.00 N ATOM 966 CA SER A 65 2.322 8.450 -4.503 1.00 0.00 C ATOM 967 C SER A 65 1.701 7.102 -4.174 1.00 0.00 C ATOM 968 O SER A 65 2.022 6.487 -3.134 1.00 0.00 O ATOM 969 CB SER A 65 3.501 8.315 -5.472 1.00 0.00 C ATOM 970 OG SER A 65 3.094 7.814 -6.740 1.00 0.00 O ATOM 0 H SER A 65 3.654 8.772 -2.943 1.00 0.00 H new ATOM 0 HA SER A 65 1.570 9.064 -4.999 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.977 9.287 -5.602 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.249 7.649 -5.042 1.00 0.00 H new ATOM 0 HG SER A 65 3.874 7.744 -7.330 1.00 0.00 H new ATOM 976 N THR A 66 0.806 6.667 -5.013 1.00 0.00 N ATOM 977 CA THR A 66 0.104 5.447 -4.816 1.00 0.00 C ATOM 978 C THR A 66 0.418 4.431 -5.900 1.00 0.00 C ATOM 979 O THR A 66 0.829 4.786 -7.020 1.00 0.00 O ATOM 980 CB THR A 66 -1.412 5.714 -4.807 1.00 0.00 C ATOM 981 OG1 THR A 66 -1.751 6.608 -5.883 1.00 0.00 O ATOM 982 CG2 THR A 66 -1.869 6.295 -3.486 1.00 0.00 C ATOM 0 H THR A 66 0.544 7.163 -5.865 1.00 0.00 H new ATOM 0 HA THR A 66 0.425 5.037 -3.859 1.00 0.00 H new ATOM 0 HB THR A 66 -1.924 4.762 -4.944 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.681 6.902 -5.784 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.944 6.470 -3.518 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.639 5.596 -2.682 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.353 7.238 -3.305 1.00 0.00 H new ATOM 990 N LEU A 67 0.269 3.185 -5.549 1.00 0.00 N ATOM 991 CA LEU A 67 0.325 2.091 -6.484 1.00 0.00 C ATOM 992 C LEU A 67 -0.900 1.237 -6.233 1.00 0.00 C ATOM 993 O LEU A 67 -1.175 0.859 -5.076 1.00 0.00 O ATOM 994 CB LEU A 67 1.615 1.232 -6.340 1.00 0.00 C ATOM 995 CG LEU A 67 2.966 1.899 -6.660 1.00 0.00 C ATOM 996 CD1 LEU A 67 4.114 0.912 -6.450 1.00 0.00 C ATOM 997 CD2 LEU A 67 2.995 2.410 -8.092 1.00 0.00 C ATOM 0 H LEU A 67 0.102 2.893 -4.586 1.00 0.00 H new ATOM 0 HA LEU A 67 0.346 2.489 -7.498 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.659 0.864 -5.315 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.511 0.361 -6.987 1.00 0.00 H new ATOM 0 HG LEU A 67 3.088 2.744 -5.982 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.061 1.401 -6.681 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.121 0.578 -5.412 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.980 0.053 -7.107 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.960 2.876 -8.292 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.845 1.577 -8.779 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.201 3.143 -8.233 1.00 0.00 H new ATOM 1009 N THR A 68 -1.662 1.000 -7.265 1.00 0.00 N ATOM 1010 CA THR A 68 -2.841 0.171 -7.187 1.00 0.00 C ATOM 1011 C THR A 68 -2.378 -1.285 -6.953 1.00 0.00 C ATOM 1012 O THR A 68 -1.388 -1.694 -7.584 1.00 0.00 O ATOM 1013 CB THR A 68 -3.612 0.289 -8.520 1.00 0.00 C ATOM 1014 OG1 THR A 68 -3.741 1.691 -8.865 1.00 0.00 O ATOM 1015 CG2 THR A 68 -4.998 -0.318 -8.403 1.00 0.00 C ATOM 0 H THR A 68 -1.483 1.379 -8.195 1.00 0.00 H new ATOM 0 HA THR A 68 -3.497 0.480 -6.373 1.00 0.00 H new ATOM 0 HB THR A 68 -3.060 -0.249 -9.290 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.228 1.776 -9.711 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.519 -0.221 -9.355 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.912 -1.373 -8.142 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.559 0.204 -7.628 1.00 0.00 H new ATOM 1023 N ASN A 69 -3.138 -2.054 -6.110 1.00 0.00 N ATOM 1024 CA ASN A 69 -2.779 -3.430 -5.588 1.00 0.00 C ATOM 1025 C ASN A 69 -1.496 -4.040 -6.146 1.00 0.00 C ATOM 1026 O ASN A 69 -1.491 -4.768 -7.144 1.00 0.00 O ATOM 1027 CB ASN A 69 -3.945 -4.447 -5.662 1.00 0.00 C ATOM 1028 CG ASN A 69 -4.561 -4.652 -7.056 1.00 0.00 C ATOM 1029 OD1 ASN A 69 -4.622 -3.735 -7.883 1.00 0.00 O ATOM 1030 ND2 ASN A 69 -5.012 -5.849 -7.326 1.00 0.00 N ATOM 0 H ASN A 69 -4.041 -1.732 -5.762 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.572 -3.225 -4.538 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.587 -5.410 -5.298 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.731 -4.121 -4.981 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.427 -6.044 -8.237 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.949 -6.588 -6.625 1.00 0.00 H new ATOM 1037 N PRO A 70 -0.381 -3.677 -5.523 1.00 0.00 N ATOM 1038 CA PRO A 70 0.932 -4.136 -5.893 1.00 0.00 C ATOM 1039 C PRO A 70 1.386 -5.360 -5.104 1.00 0.00 C ATOM 1040 O PRO A 70 0.988 -5.578 -3.957 1.00 0.00 O ATOM 1041 CB PRO A 70 1.811 -2.929 -5.566 1.00 0.00 C ATOM 1042 CG PRO A 70 1.040 -2.122 -4.550 1.00 0.00 C ATOM 1043 CD PRO A 70 -0.316 -2.746 -4.400 1.00 0.00 C ATOM 0 HA PRO A 70 0.974 -4.458 -6.933 1.00 0.00 H new ATOM 0 HB2 PRO A 70 2.775 -3.244 -5.165 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.015 -2.340 -6.460 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.563 -2.112 -3.594 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.949 -1.086 -4.875 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.419 -3.260 -3.444 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.110 -2.001 -4.448 1.00 0.00 H new ATOM 1051 N SER A 71 2.207 -6.152 -5.725 1.00 0.00 N ATOM 1052 CA SER A 71 2.766 -7.313 -5.100 1.00 0.00 C ATOM 1053 C SER A 71 3.873 -6.860 -4.128 1.00 0.00 C ATOM 1054 O SER A 71 4.336 -5.706 -4.206 1.00 0.00 O ATOM 1055 CB SER A 71 3.318 -8.228 -6.190 1.00 0.00 C ATOM 1056 OG SER A 71 2.360 -8.378 -7.235 1.00 0.00 O ATOM 0 H SER A 71 2.511 -6.009 -6.688 1.00 0.00 H new ATOM 0 HA SER A 71 2.015 -7.863 -4.534 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.243 -7.813 -6.591 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.563 -9.203 -5.768 1.00 0.00 H new ATOM 0 HG SER A 71 2.408 -7.605 -7.836 1.00 0.00 H new ATOM 1062 N ALA A 72 4.308 -7.749 -3.246 1.00 0.00 N ATOM 1063 CA ALA A 72 5.297 -7.419 -2.219 1.00 0.00 C ATOM 1064 C ALA A 72 6.618 -6.947 -2.820 1.00 0.00 C ATOM 1065 O ALA A 72 7.277 -6.074 -2.268 1.00 0.00 O ATOM 1066 CB ALA A 72 5.515 -8.591 -1.286 1.00 0.00 C ATOM 0 H ALA A 72 3.989 -8.717 -3.219 1.00 0.00 H new ATOM 0 HA ALA A 72 4.895 -6.587 -1.641 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.254 -8.323 -0.531 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.575 -8.848 -0.798 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.874 -9.448 -1.856 1.00 0.00 H new ATOM 1072 N ASP A 73 6.985 -7.492 -3.955 1.00 0.00 N ATOM 1073 CA ASP A 73 8.222 -7.068 -4.614 1.00 0.00 C ATOM 1074 C ASP A 73 8.048 -5.689 -5.225 1.00 0.00 C ATOM 1075 O ASP A 73 8.952 -4.856 -5.175 1.00 0.00 O ATOM 1076 CB ASP A 73 8.682 -8.069 -5.682 1.00 0.00 C ATOM 1077 CG ASP A 73 9.077 -9.408 -5.110 1.00 0.00 C ATOM 1078 OD1 ASP A 73 10.208 -9.555 -4.616 1.00 0.00 O ATOM 1079 OD2 ASP A 73 8.268 -10.356 -5.160 1.00 0.00 O ATOM 0 H ASP A 73 6.463 -8.219 -4.444 1.00 0.00 H new ATOM 0 HA ASP A 73 8.999 -7.028 -3.850 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.880 -8.213 -6.406 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.529 -7.649 -6.224 1.00 0.00 H new ATOM 1084 N GLU A 74 6.847 -5.428 -5.732 1.00 0.00 N ATOM 1085 CA GLU A 74 6.524 -4.157 -6.374 1.00 0.00 C ATOM 1086 C GLU A 74 6.572 -3.012 -5.372 1.00 0.00 C ATOM 1087 O GLU A 74 7.111 -1.943 -5.662 1.00 0.00 O ATOM 1088 CB GLU A 74 5.145 -4.211 -7.026 1.00 0.00 C ATOM 1089 CG GLU A 74 5.004 -5.258 -8.111 1.00 0.00 C ATOM 1090 CD GLU A 74 3.655 -5.207 -8.782 1.00 0.00 C ATOM 1091 OE1 GLU A 74 3.490 -4.434 -9.741 1.00 0.00 O ATOM 1092 OE2 GLU A 74 2.730 -5.945 -8.363 1.00 0.00 O ATOM 0 H GLU A 74 6.071 -6.090 -5.710 1.00 0.00 H new ATOM 0 HA GLU A 74 7.273 -3.980 -7.146 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.399 -4.403 -6.254 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.919 -3.233 -7.451 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.785 -5.112 -8.858 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.156 -6.248 -7.680 1.00 0.00 H new ATOM 1099 N VAL A 75 6.009 -3.236 -4.197 1.00 0.00 N ATOM 1100 CA VAL A 75 6.020 -2.216 -3.155 1.00 0.00 C ATOM 1101 C VAL A 75 7.408 -1.960 -2.620 1.00 0.00 C ATOM 1102 O VAL A 75 7.787 -0.811 -2.424 1.00 0.00 O ATOM 1103 CB VAL A 75 5.065 -2.498 -1.979 1.00 0.00 C ATOM 1104 CG1 VAL A 75 3.649 -2.246 -2.372 1.00 0.00 C ATOM 1105 CG2 VAL A 75 5.183 -3.911 -1.518 1.00 0.00 C ATOM 0 H VAL A 75 5.542 -4.105 -3.939 1.00 0.00 H new ATOM 0 HA VAL A 75 5.654 -1.322 -3.660 1.00 0.00 H new ATOM 0 HB VAL A 75 5.348 -1.826 -1.169 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.994 -2.452 -1.525 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.535 -1.205 -2.674 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.381 -2.897 -3.204 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.498 -4.081 -0.688 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.933 -4.584 -2.339 1.00 0.00 H new ATOM 0 HG23 VAL A 75 6.205 -4.103 -1.190 1.00 0.00 H new ATOM 1115 N LYS A 76 8.174 -3.027 -2.411 1.00 0.00 N ATOM 1116 CA LYS A 76 9.528 -2.896 -1.913 1.00 0.00 C ATOM 1117 C LYS A 76 10.375 -2.083 -2.869 1.00 0.00 C ATOM 1118 O LYS A 76 11.132 -1.228 -2.439 1.00 0.00 O ATOM 1119 CB LYS A 76 10.174 -4.256 -1.667 1.00 0.00 C ATOM 1120 CG LYS A 76 9.667 -5.008 -0.452 1.00 0.00 C ATOM 1121 CD LYS A 76 10.302 -6.398 -0.377 1.00 0.00 C ATOM 1122 CE LYS A 76 11.827 -6.334 -0.268 1.00 0.00 C ATOM 1123 NZ LYS A 76 12.445 -7.661 -0.430 1.00 0.00 N ATOM 0 H LYS A 76 7.875 -3.988 -2.580 1.00 0.00 H new ATOM 0 HA LYS A 76 9.471 -2.374 -0.958 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.018 -4.878 -2.549 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.250 -4.114 -1.563 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.899 -4.447 0.453 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.582 -5.100 -0.501 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.900 -6.933 0.484 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.027 -6.969 -1.264 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.217 -5.657 -1.028 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.105 -5.920 0.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.478 -7.575 -0.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.092 -8.301 0.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.201 -8.046 -1.365 1.00 0.00 H new ATOM 1137 N ALA A 77 10.189 -2.322 -4.163 1.00 0.00 N ATOM 1138 CA ALA A 77 10.922 -1.624 -5.212 1.00 0.00 C ATOM 1139 C ALA A 77 10.664 -0.113 -5.184 1.00 0.00 C ATOM 1140 O ALA A 77 11.555 0.682 -5.486 1.00 0.00 O ATOM 1141 CB ALA A 77 10.565 -2.198 -6.575 1.00 0.00 C ATOM 0 H ALA A 77 9.522 -3.009 -4.515 1.00 0.00 H new ATOM 0 HA ALA A 77 11.985 -1.776 -5.027 1.00 0.00 H new ATOM 0 HB1 ALA A 77 11.119 -1.668 -7.350 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.824 -3.256 -6.603 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.495 -2.082 -6.750 1.00 0.00 H new ATOM 1147 N LYS A 78 9.458 0.285 -4.838 1.00 0.00 N ATOM 1148 CA LYS A 78 9.149 1.696 -4.760 1.00 0.00 C ATOM 1149 C LYS A 78 9.568 2.265 -3.400 1.00 0.00 C ATOM 1150 O LYS A 78 10.214 3.318 -3.326 1.00 0.00 O ATOM 1151 CB LYS A 78 7.666 1.972 -5.023 1.00 0.00 C ATOM 1152 CG LYS A 78 7.392 3.453 -5.057 1.00 0.00 C ATOM 1153 CD LYS A 78 5.965 3.807 -5.318 1.00 0.00 C ATOM 1154 CE LYS A 78 5.748 5.278 -5.031 1.00 0.00 C ATOM 1155 NZ LYS A 78 6.542 6.175 -5.903 1.00 0.00 N ATOM 0 H LYS A 78 8.685 -0.340 -4.609 1.00 0.00 H new ATOM 0 HA LYS A 78 9.718 2.197 -5.543 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.371 1.522 -5.971 1.00 0.00 H new ATOM 0 HB3 LYS A 78 7.062 1.504 -4.246 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.694 3.889 -4.105 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.014 3.908 -5.828 1.00 0.00 H new ATOM 0 HD2 LYS A 78 5.708 3.586 -6.354 1.00 0.00 H new ATOM 0 HD3 LYS A 78 5.309 3.203 -4.691 1.00 0.00 H new ATOM 0 HE2 LYS A 78 4.690 5.511 -5.151 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.002 5.478 -3.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.452 7.155 -5.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.542 5.890 -5.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.191 6.110 -6.880 1.00 0.00 H new ATOM 1169 N LEU A 79 9.238 1.542 -2.337 1.00 0.00 N ATOM 1170 CA LEU A 79 9.505 1.977 -0.968 1.00 0.00 C ATOM 1171 C LEU A 79 10.991 2.151 -0.699 1.00 0.00 C ATOM 1172 O LEU A 79 11.401 3.127 -0.048 1.00 0.00 O ATOM 1173 CB LEU A 79 8.910 0.988 0.040 1.00 0.00 C ATOM 1174 CG LEU A 79 9.124 1.325 1.517 1.00 0.00 C ATOM 1175 CD1 LEU A 79 8.461 2.650 1.875 1.00 0.00 C ATOM 1176 CD2 LEU A 79 8.608 0.201 2.398 1.00 0.00 C ATOM 0 H LEU A 79 8.776 0.635 -2.398 1.00 0.00 H new ATOM 0 HA LEU A 79 9.028 2.950 -0.848 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.838 0.914 -0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.336 0.003 -0.153 1.00 0.00 H new ATOM 0 HG LEU A 79 10.194 1.432 1.693 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.628 2.867 2.930 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.890 3.447 1.268 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.390 2.585 1.683 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.768 0.457 3.445 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.543 0.058 2.218 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.143 -0.720 2.164 1.00 0.00 H new ATOM 1188 N VAL A 80 11.792 1.225 -1.212 1.00 0.00 N ATOM 1189 CA VAL A 80 13.227 1.243 -1.000 1.00 0.00 C ATOM 1190 C VAL A 80 13.830 2.549 -1.514 1.00 0.00 C ATOM 1191 O VAL A 80 14.618 3.150 -0.846 1.00 0.00 O ATOM 1192 CB VAL A 80 13.926 -0.007 -1.637 1.00 0.00 C ATOM 1193 CG1 VAL A 80 13.949 0.018 -3.162 1.00 0.00 C ATOM 1194 CG2 VAL A 80 15.306 -0.217 -1.063 1.00 0.00 C ATOM 0 H VAL A 80 11.464 0.446 -1.783 1.00 0.00 H new ATOM 0 HA VAL A 80 13.406 1.189 0.074 1.00 0.00 H new ATOM 0 HB VAL A 80 13.311 -0.865 -1.366 1.00 0.00 H new ATOM 0 HG11 VAL A 80 14.448 -0.877 -3.533 1.00 0.00 H new ATOM 0 HG12 VAL A 80 12.927 0.048 -3.541 1.00 0.00 H new ATOM 0 HG13 VAL A 80 14.488 0.902 -3.503 1.00 0.00 H new ATOM 0 HG21 VAL A 80 15.763 -1.092 -1.526 1.00 0.00 H new ATOM 0 HG22 VAL A 80 15.920 0.661 -1.261 1.00 0.00 H new ATOM 0 HG23 VAL A 80 15.233 -0.373 0.013 1.00 0.00 H new ATOM 1204 N LYS A 81 13.338 3.046 -2.636 1.00 0.00 N ATOM 1205 CA LYS A 81 13.876 4.266 -3.224 1.00 0.00 C ATOM 1206 C LYS A 81 13.542 5.497 -2.413 1.00 0.00 C ATOM 1207 O LYS A 81 14.257 6.499 -2.459 1.00 0.00 O ATOM 1208 CB LYS A 81 13.409 4.448 -4.652 1.00 0.00 C ATOM 1209 CG LYS A 81 13.952 3.411 -5.584 1.00 0.00 C ATOM 1210 CD LYS A 81 13.652 3.756 -7.012 1.00 0.00 C ATOM 1211 CE LYS A 81 14.406 2.840 -7.948 1.00 0.00 C ATOM 1212 NZ LYS A 81 15.859 2.907 -7.703 1.00 0.00 N ATOM 0 H LYS A 81 12.569 2.627 -3.159 1.00 0.00 H new ATOM 0 HA LYS A 81 14.960 4.148 -3.220 1.00 0.00 H new ATOM 0 HB2 LYS A 81 12.320 4.417 -4.678 1.00 0.00 H new ATOM 0 HB3 LYS A 81 13.708 5.436 -5.003 1.00 0.00 H new ATOM 0 HG2 LYS A 81 15.030 3.323 -5.447 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.520 2.440 -5.343 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.581 3.671 -7.195 1.00 0.00 H new ATOM 0 HD3 LYS A 81 13.928 4.792 -7.207 1.00 0.00 H new ATOM 0 HE2 LYS A 81 14.059 1.815 -7.816 1.00 0.00 H new ATOM 0 HE3 LYS A 81 14.195 3.117 -8.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 16.366 2.873 -8.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 16.088 3.795 -7.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 16.149 2.101 -7.114 1.00 0.00 H new ATOM 1226 N ILE A 82 12.472 5.421 -1.669 1.00 0.00 N ATOM 1227 CA ILE A 82 12.050 6.527 -0.854 1.00 0.00 C ATOM 1228 C ILE A 82 12.965 6.623 0.352 1.00 0.00 C ATOM 1229 O ILE A 82 13.388 7.705 0.738 1.00 0.00 O ATOM 1230 CB ILE A 82 10.584 6.361 -0.400 1.00 0.00 C ATOM 1231 CG1 ILE A 82 9.699 6.139 -1.623 1.00 0.00 C ATOM 1232 CG2 ILE A 82 10.121 7.597 0.370 1.00 0.00 C ATOM 1233 CD1 ILE A 82 8.266 5.828 -1.298 1.00 0.00 C ATOM 0 H ILE A 82 11.873 4.598 -1.611 1.00 0.00 H new ATOM 0 HA ILE A 82 12.109 7.443 -1.442 1.00 0.00 H new ATOM 0 HB ILE A 82 10.509 5.498 0.262 1.00 0.00 H new ATOM 0 HG12 ILE A 82 9.733 7.031 -2.249 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.112 5.321 -2.213 1.00 0.00 H new ATOM 0 HG21 ILE A 82 9.085 7.464 0.683 1.00 0.00 H new ATOM 0 HG22 ILE A 82 10.751 7.735 1.249 1.00 0.00 H new ATOM 0 HG23 ILE A 82 10.196 8.475 -0.272 1.00 0.00 H new ATOM 0 HD11 ILE A 82 7.706 5.684 -2.222 1.00 0.00 H new ATOM 0 HD12 ILE A 82 8.218 4.918 -0.700 1.00 0.00 H new ATOM 0 HD13 ILE A 82 7.833 6.655 -0.736 1.00 0.00 H new ATOM 1245 N ALA A 83 13.315 5.485 0.898 1.00 0.00 N ATOM 1246 CA ALA A 83 14.185 5.435 2.052 1.00 0.00 C ATOM 1247 C ALA A 83 15.654 5.568 1.637 1.00 0.00 C ATOM 1248 O ALA A 83 16.446 6.235 2.313 1.00 0.00 O ATOM 1249 CB ALA A 83 13.961 4.140 2.825 1.00 0.00 C ATOM 0 H ALA A 83 13.009 4.573 0.560 1.00 0.00 H new ATOM 0 HA ALA A 83 13.942 6.276 2.701 1.00 0.00 H new ATOM 0 HB1 ALA A 83 14.622 4.114 3.691 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.924 4.090 3.158 1.00 0.00 H new ATOM 0 HB3 ALA A 83 14.176 3.289 2.179 1.00 0.00 H new