USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 597 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= -0.0984 K(o=0.57,f=-4.6!) USER MOD Set 1.2: A 58 THR OG1 : rot 114:sc= 0.67 USER MOD Set 2.1: A 25 THR OG1 : rot 80:sc= 0.558 USER MOD Set 2.2: A 31 TYR OH : rot -149:sc= 0.0261 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot -86:sc= -0.143 USER MOD Single : A 10 THR OG1 : rot 172:sc= -0.202 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 77:sc= 1.17 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -179:sc= 1.2 (180deg=1.16) USER MOD Single : A 22 THR OG1 : rot 87:sc= 1.22 USER MOD Single : A 27 ASN : amide:sc= 1.02 K(o=1,f=-0.44) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= -0.907 X(o=-0.91,f=-1.2) USER MOD Single : A 48 SER OG : rot 65:sc= 1.21 USER MOD Single : A 53 ASN : amide:sc= -0.0732 X(o=-0.073,f=-0.0022) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 110:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN :FLIP amide:sc=-0.00729 F(o=-0.84,f=-0.0073) USER MOD Single : A 71 SER OG : rot 91:sc= 1.21 USER MOD Single : A 76 LYS NZ :NH3+ -161:sc= 1.28 (180deg=1.23) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -170:sc= 0.247 (180deg=0.176) USER MOD ----------------------------------------------------------------- ATOM 60 N ALA A 5 6.224 3.546 6.733 1.00 0.00 N ATOM 61 CA ALA A 5 6.485 4.504 5.679 1.00 0.00 C ATOM 62 C ALA A 5 5.544 4.281 4.509 1.00 0.00 C ATOM 63 O ALA A 5 5.618 4.971 3.499 1.00 0.00 O ATOM 64 CB ALA A 5 7.938 4.402 5.226 1.00 0.00 C ATOM 0 HA ALA A 5 6.310 5.507 6.068 1.00 0.00 H new ATOM 0 HB1 ALA A 5 8.124 5.127 4.433 1.00 0.00 H new ATOM 0 HB2 ALA A 5 8.597 4.609 6.069 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.133 3.397 4.852 1.00 0.00 H new ATOM 70 N LEU A 6 4.662 3.316 4.647 1.00 0.00 N ATOM 71 CA LEU A 6 3.780 2.971 3.566 1.00 0.00 C ATOM 72 C LEU A 6 2.334 3.202 3.971 1.00 0.00 C ATOM 73 O LEU A 6 1.944 2.855 5.086 1.00 0.00 O ATOM 74 CB LEU A 6 3.976 1.509 3.195 1.00 0.00 C ATOM 75 CG LEU A 6 3.483 1.113 1.840 1.00 0.00 C ATOM 76 CD1 LEU A 6 4.283 1.839 0.794 1.00 0.00 C ATOM 77 CD2 LEU A 6 3.586 -0.383 1.653 1.00 0.00 C ATOM 0 H LEU A 6 4.540 2.762 5.494 1.00 0.00 H new ATOM 0 HA LEU A 6 4.012 3.601 2.708 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.039 1.277 3.257 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.471 0.893 3.939 1.00 0.00 H new ATOM 0 HG LEU A 6 2.433 1.387 1.742 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.929 1.555 -0.197 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.165 2.914 0.927 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.336 1.575 0.893 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.223 -0.652 0.661 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.627 -0.692 1.754 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.983 -0.887 2.409 1.00 0.00 H new ATOM 89 N THR A 7 1.554 3.778 3.081 1.00 0.00 N ATOM 90 CA THR A 7 0.149 4.025 3.330 1.00 0.00 C ATOM 91 C THR A 7 -0.687 3.100 2.429 1.00 0.00 C ATOM 92 O THR A 7 -0.588 3.174 1.209 1.00 0.00 O ATOM 93 CB THR A 7 -0.191 5.492 2.991 1.00 0.00 C ATOM 94 OG1 THR A 7 0.750 6.363 3.638 1.00 0.00 O ATOM 95 CG2 THR A 7 -1.589 5.855 3.462 1.00 0.00 C ATOM 0 H THR A 7 1.876 4.088 2.164 1.00 0.00 H new ATOM 0 HA THR A 7 -0.073 3.833 4.380 1.00 0.00 H new ATOM 0 HB THR A 7 -0.142 5.608 1.908 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.536 7.295 3.422 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.800 6.894 3.209 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.317 5.208 2.973 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.655 5.724 4.542 1.00 0.00 H new ATOM 103 N ILE A 8 -1.469 2.225 3.013 1.00 0.00 N ATOM 104 CA ILE A 8 -2.300 1.309 2.233 1.00 0.00 C ATOM 105 C ILE A 8 -3.763 1.528 2.570 1.00 0.00 C ATOM 106 O ILE A 8 -4.101 1.839 3.694 1.00 0.00 O ATOM 107 CB ILE A 8 -1.910 -0.191 2.469 1.00 0.00 C ATOM 108 CG1 ILE A 8 -0.466 -0.438 2.040 1.00 0.00 C ATOM 109 CG2 ILE A 8 -2.854 -1.155 1.730 1.00 0.00 C ATOM 110 CD1 ILE A 8 -0.035 -1.876 2.180 1.00 0.00 C ATOM 0 H ILE A 8 -1.555 2.119 4.024 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.129 1.525 1.179 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.008 -0.388 3.537 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.346 -0.131 1.001 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.195 0.191 2.637 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.547 -2.183 1.921 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.874 -1.009 2.085 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.811 -0.957 0.659 1.00 0.00 H new ATOM 0 HD11 ILE A 8 1.001 -1.978 1.857 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.122 -2.182 3.222 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.672 -2.509 1.561 1.00 0.00 H new ATOM 122 N TYR A 9 -4.602 1.412 1.597 1.00 0.00 N ATOM 123 CA TYR A 9 -6.016 1.553 1.796 1.00 0.00 C ATOM 124 C TYR A 9 -6.622 0.165 1.907 1.00 0.00 C ATOM 125 O TYR A 9 -6.339 -0.695 1.078 1.00 0.00 O ATOM 126 CB TYR A 9 -6.611 2.365 0.648 1.00 0.00 C ATOM 127 CG TYR A 9 -5.964 3.739 0.514 1.00 0.00 C ATOM 128 CD1 TYR A 9 -6.411 4.810 1.266 1.00 0.00 C ATOM 129 CD2 TYR A 9 -4.899 3.953 -0.356 1.00 0.00 C ATOM 130 CE1 TYR A 9 -5.827 6.057 1.155 1.00 0.00 C ATOM 131 CE2 TYR A 9 -4.307 5.193 -0.468 1.00 0.00 C ATOM 132 CZ TYR A 9 -4.777 6.241 0.289 1.00 0.00 C ATOM 133 OH TYR A 9 -4.201 7.482 0.166 1.00 0.00 O ATOM 0 H TYR A 9 -4.331 1.216 0.633 1.00 0.00 H new ATOM 0 HA TYR A 9 -6.237 2.094 2.716 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.487 1.815 -0.285 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.683 2.485 0.808 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -7.232 4.669 1.953 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.530 3.133 -0.954 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.194 6.883 1.746 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -3.479 5.341 -1.146 1.00 0.00 H new ATOM 0 HH TYR A 9 -4.694 8.007 -0.498 1.00 0.00 H new ATOM 143 N THR A 10 -7.387 -0.083 2.961 1.00 0.00 N ATOM 144 CA THR A 10 -7.915 -1.407 3.207 1.00 0.00 C ATOM 145 C THR A 10 -9.381 -1.406 3.652 1.00 0.00 C ATOM 146 O THR A 10 -10.033 -0.367 3.753 1.00 0.00 O ATOM 147 CB THR A 10 -7.087 -2.121 4.283 1.00 0.00 C ATOM 148 OG1 THR A 10 -6.951 -1.262 5.415 1.00 0.00 O ATOM 149 CG2 THR A 10 -5.716 -2.518 3.768 1.00 0.00 C ATOM 0 H THR A 10 -7.652 0.616 3.654 1.00 0.00 H new ATOM 0 HA THR A 10 -7.855 -1.930 2.253 1.00 0.00 H new ATOM 0 HB THR A 10 -7.608 -3.036 4.564 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.535 -1.756 6.152 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.161 -3.021 4.560 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.828 -3.192 2.919 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.173 -1.626 3.454 1.00 0.00 H new ATOM 157 N THR A 11 -9.892 -2.600 3.852 1.00 0.00 N ATOM 158 CA THR A 11 -11.198 -2.850 4.387 1.00 0.00 C ATOM 159 C THR A 11 -11.019 -4.091 5.239 1.00 0.00 C ATOM 160 O THR A 11 -10.149 -4.920 4.902 1.00 0.00 O ATOM 161 CB THR A 11 -12.213 -3.153 3.256 1.00 0.00 C ATOM 162 OG1 THR A 11 -12.014 -2.213 2.187 1.00 0.00 O ATOM 163 CG2 THR A 11 -13.629 -2.972 3.766 1.00 0.00 C ATOM 0 H THR A 11 -9.381 -3.456 3.635 1.00 0.00 H new ATOM 0 HA THR A 11 -11.580 -1.992 4.940 1.00 0.00 H new ATOM 0 HB THR A 11 -12.064 -4.178 2.915 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.651 -2.398 1.466 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.335 -3.187 2.964 1.00 0.00 H new ATOM 0 HG22 THR A 11 -13.806 -3.654 4.598 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.766 -1.945 4.104 1.00 0.00 H new ATOM 171 N SER A 12 -11.762 -4.221 6.319 1.00 0.00 N ATOM 172 CA SER A 12 -11.628 -5.369 7.203 1.00 0.00 C ATOM 173 C SER A 12 -11.950 -6.658 6.437 1.00 0.00 C ATOM 174 O SER A 12 -11.227 -7.658 6.527 1.00 0.00 O ATOM 175 CB SER A 12 -12.551 -5.206 8.413 1.00 0.00 C ATOM 176 OG SER A 12 -12.368 -3.919 9.024 1.00 0.00 O ATOM 0 H SER A 12 -12.468 -3.545 6.610 1.00 0.00 H new ATOM 0 HA SER A 12 -10.601 -5.431 7.562 1.00 0.00 H new ATOM 0 HB2 SER A 12 -13.589 -5.322 8.102 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.347 -5.991 9.141 1.00 0.00 H new ATOM 0 HG SER A 12 -12.816 -3.234 8.485 1.00 0.00 H new ATOM 182 N TRP A 13 -13.004 -6.607 5.644 1.00 0.00 N ATOM 183 CA TRP A 13 -13.380 -7.730 4.851 1.00 0.00 C ATOM 184 C TRP A 13 -12.758 -7.656 3.462 1.00 0.00 C ATOM 185 O TRP A 13 -13.246 -6.969 2.571 1.00 0.00 O ATOM 186 CB TRP A 13 -14.908 -7.934 4.819 1.00 0.00 C ATOM 187 CG TRP A 13 -15.715 -6.775 4.333 1.00 0.00 C ATOM 188 CD1 TRP A 13 -16.188 -6.600 3.076 1.00 0.00 C ATOM 189 CD2 TRP A 13 -16.159 -5.648 5.091 1.00 0.00 C ATOM 190 NE1 TRP A 13 -16.863 -5.432 2.991 1.00 0.00 N ATOM 191 CE2 TRP A 13 -16.875 -4.824 4.213 1.00 0.00 C ATOM 192 CE3 TRP A 13 -16.017 -5.253 6.422 1.00 0.00 C ATOM 193 CZ2 TRP A 13 -17.448 -3.624 4.615 1.00 0.00 C ATOM 194 CZ3 TRP A 13 -16.587 -4.065 6.824 1.00 0.00 C ATOM 195 CH2 TRP A 13 -17.294 -3.263 5.925 1.00 0.00 C ATOM 0 H TRP A 13 -13.607 -5.791 5.542 1.00 0.00 H new ATOM 0 HA TRP A 13 -12.976 -8.623 5.328 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -15.126 -8.794 4.186 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -15.242 -8.187 5.825 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -16.046 -7.293 2.260 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -17.296 -5.062 2.145 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -15.471 -5.867 7.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -17.993 -3.001 3.921 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -16.486 -3.748 7.852 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -17.729 -2.337 6.272 1.00 0.00 H new ATOM 206 N CYS A 14 -11.620 -8.276 3.317 1.00 0.00 N ATOM 207 CA CYS A 14 -10.960 -8.342 2.038 1.00 0.00 C ATOM 208 C CYS A 14 -9.917 -9.433 2.068 1.00 0.00 C ATOM 209 O CYS A 14 -8.954 -9.353 2.826 1.00 0.00 O ATOM 210 CB CYS A 14 -10.306 -6.989 1.689 1.00 0.00 C ATOM 211 SG CYS A 14 -9.507 -6.936 0.049 1.00 0.00 S ATOM 0 H CYS A 14 -11.125 -8.747 4.074 1.00 0.00 H new ATOM 0 HA CYS A 14 -11.700 -8.568 1.270 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -11.067 -6.210 1.734 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.562 -6.752 2.450 1.00 0.00 H new ATOM 216 N GLY A 15 -10.095 -10.432 1.237 1.00 0.00 N ATOM 217 CA GLY A 15 -9.151 -11.522 1.178 1.00 0.00 C ATOM 218 C GLY A 15 -8.034 -11.224 0.213 1.00 0.00 C ATOM 219 O GLY A 15 -6.882 -11.596 0.432 1.00 0.00 O ATOM 0 H GLY A 15 -10.883 -10.513 0.594 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.739 -11.704 2.171 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -9.664 -12.435 0.874 1.00 0.00 H new ATOM 223 N TYR A 16 -8.365 -10.482 -0.826 1.00 0.00 N ATOM 224 CA TYR A 16 -7.411 -10.135 -1.871 1.00 0.00 C ATOM 225 C TYR A 16 -6.365 -9.174 -1.313 1.00 0.00 C ATOM 226 O TYR A 16 -5.227 -9.138 -1.753 1.00 0.00 O ATOM 227 CB TYR A 16 -8.156 -9.492 -3.030 1.00 0.00 C ATOM 228 CG TYR A 16 -7.390 -9.430 -4.325 1.00 0.00 C ATOM 229 CD1 TYR A 16 -7.275 -10.560 -5.105 1.00 0.00 C ATOM 230 CD2 TYR A 16 -6.806 -8.254 -4.778 1.00 0.00 C ATOM 231 CE1 TYR A 16 -6.606 -10.539 -6.297 1.00 0.00 C ATOM 232 CE2 TYR A 16 -6.124 -8.223 -5.984 1.00 0.00 C ATOM 233 CZ TYR A 16 -6.032 -9.376 -6.737 1.00 0.00 C ATOM 234 OH TYR A 16 -5.369 -9.371 -7.946 1.00 0.00 O ATOM 0 H TYR A 16 -9.300 -10.102 -0.973 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.904 -11.033 -2.225 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -9.081 -10.044 -3.199 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -8.438 -8.479 -2.743 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -7.723 -11.483 -4.767 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.884 -7.355 -4.185 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -6.530 -11.438 -6.891 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -5.670 -7.307 -6.331 1.00 0.00 H new ATOM 0 HH TYR A 16 -5.017 -8.474 -8.122 1.00 0.00 H new ATOM 244 N CYS A 17 -6.769 -8.423 -0.318 1.00 0.00 N ATOM 245 CA CYS A 17 -5.898 -7.484 0.348 1.00 0.00 C ATOM 246 C CYS A 17 -4.871 -8.233 1.203 1.00 0.00 C ATOM 247 O CYS A 17 -3.737 -7.781 1.382 1.00 0.00 O ATOM 248 CB CYS A 17 -6.726 -6.557 1.225 1.00 0.00 C ATOM 249 SG CYS A 17 -7.981 -5.632 0.300 1.00 0.00 S ATOM 0 H CYS A 17 -7.718 -8.446 0.056 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.368 -6.895 -0.400 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.216 -7.144 2.002 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.062 -5.853 1.727 1.00 0.00 H new ATOM 254 N LEU A 18 -5.269 -9.406 1.694 1.00 0.00 N ATOM 255 CA LEU A 18 -4.421 -10.228 2.536 1.00 0.00 C ATOM 256 C LEU A 18 -3.292 -10.816 1.726 1.00 0.00 C ATOM 257 O LEU A 18 -2.190 -11.028 2.233 1.00 0.00 O ATOM 258 CB LEU A 18 -5.230 -11.330 3.182 1.00 0.00 C ATOM 259 CG LEU A 18 -6.381 -10.862 4.062 1.00 0.00 C ATOM 260 CD1 LEU A 18 -7.071 -12.041 4.648 1.00 0.00 C ATOM 261 CD2 LEU A 18 -5.895 -9.931 5.166 1.00 0.00 C ATOM 0 H LEU A 18 -6.190 -9.807 1.515 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.999 -9.600 3.321 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.632 -11.971 2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.561 -11.944 3.784 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.081 -10.301 3.442 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.895 -11.705 5.278 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.460 -12.670 3.847 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.365 -12.614 5.249 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.742 -9.616 5.775 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.173 -10.455 5.792 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.422 -9.055 4.722 1.00 0.00 H new ATOM 273 N ARG A 19 -3.574 -11.038 0.449 1.00 0.00 N ATOM 274 CA ARG A 19 -2.606 -11.542 -0.515 1.00 0.00 C ATOM 275 C ARG A 19 -1.388 -10.604 -0.548 1.00 0.00 C ATOM 276 O ARG A 19 -0.234 -11.051 -0.513 1.00 0.00 O ATOM 277 CB ARG A 19 -3.277 -11.603 -1.903 1.00 0.00 C ATOM 278 CG ARG A 19 -2.429 -12.168 -3.034 1.00 0.00 C ATOM 279 CD ARG A 19 -2.144 -13.647 -2.854 1.00 0.00 C ATOM 280 NE ARG A 19 -1.373 -14.190 -3.982 1.00 0.00 N ATOM 281 CZ ARG A 19 -1.135 -15.491 -4.206 1.00 0.00 C ATOM 282 NH1 ARG A 19 -1.526 -16.410 -3.321 1.00 0.00 N ATOM 283 NH2 ARG A 19 -0.485 -15.866 -5.299 1.00 0.00 N ATOM 0 H ARG A 19 -4.497 -10.870 0.048 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.271 -12.540 -0.233 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.182 -12.204 -1.820 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.588 -10.595 -2.178 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.942 -12.012 -3.983 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.487 -11.622 -3.087 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.592 -13.802 -1.927 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.084 -14.191 -2.760 1.00 0.00 H new ATOM 0 HE ARG A 19 -0.987 -13.522 -4.649 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.009 -16.125 -2.469 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.342 -17.398 -3.497 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.166 -15.166 -5.969 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.303 -16.855 -5.470 1.00 0.00 H new ATOM 297 N LEU A 20 -1.656 -9.312 -0.565 1.00 0.00 N ATOM 298 CA LEU A 20 -0.602 -8.315 -0.581 1.00 0.00 C ATOM 299 C LEU A 20 -0.022 -8.117 0.830 1.00 0.00 C ATOM 300 O LEU A 20 1.190 -8.019 0.994 1.00 0.00 O ATOM 301 CB LEU A 20 -1.118 -6.985 -1.158 1.00 0.00 C ATOM 302 CG LEU A 20 -0.150 -5.769 -1.193 1.00 0.00 C ATOM 303 CD1 LEU A 20 0.947 -5.889 -2.265 1.00 0.00 C ATOM 304 CD2 LEU A 20 -0.936 -4.480 -1.369 1.00 0.00 C ATOM 0 H LEU A 20 -2.600 -8.927 -0.568 1.00 0.00 H new ATOM 0 HA LEU A 20 0.199 -8.673 -1.228 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.452 -7.173 -2.178 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.997 -6.693 -0.584 1.00 0.00 H new ATOM 0 HG LEU A 20 0.368 -5.754 -0.234 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.586 -5.006 -2.233 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.547 -6.778 -2.073 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.486 -5.968 -3.250 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.248 -3.635 -1.392 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.494 -4.519 -2.304 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.630 -4.360 -0.537 1.00 0.00 H new ATOM 316 N LYS A 21 -0.893 -8.094 1.844 1.00 0.00 N ATOM 317 CA LYS A 21 -0.460 -7.904 3.242 1.00 0.00 C ATOM 318 C LYS A 21 0.562 -8.951 3.688 1.00 0.00 C ATOM 319 O LYS A 21 1.589 -8.611 4.308 1.00 0.00 O ATOM 320 CB LYS A 21 -1.642 -7.886 4.223 1.00 0.00 C ATOM 321 CG LYS A 21 -2.504 -6.630 4.178 1.00 0.00 C ATOM 322 CD LYS A 21 -3.554 -6.662 5.284 1.00 0.00 C ATOM 323 CE LYS A 21 -4.302 -5.345 5.404 1.00 0.00 C ATOM 324 NZ LYS A 21 -5.279 -5.348 6.518 1.00 0.00 N ATOM 0 H LYS A 21 -1.900 -8.204 1.729 1.00 0.00 H new ATOM 0 HA LYS A 21 0.021 -6.926 3.263 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.275 -8.749 4.020 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.255 -8.006 5.235 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.876 -5.746 4.291 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.993 -6.552 3.207 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.264 -7.464 5.085 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.072 -6.892 6.234 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.586 -4.537 5.554 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.823 -5.140 4.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.775 -4.434 6.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.969 -6.112 6.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.779 -5.500 7.417 1.00 0.00 H new ATOM 338 N THR A 22 0.294 -10.205 3.362 1.00 0.00 N ATOM 339 CA THR A 22 1.176 -11.297 3.720 1.00 0.00 C ATOM 340 C THR A 22 2.528 -11.127 3.012 1.00 0.00 C ATOM 341 O THR A 22 3.586 -11.339 3.606 1.00 0.00 O ATOM 342 CB THR A 22 0.543 -12.654 3.328 1.00 0.00 C ATOM 343 OG1 THR A 22 -0.804 -12.704 3.827 1.00 0.00 O ATOM 344 CG2 THR A 22 1.328 -13.816 3.922 1.00 0.00 C ATOM 0 H THR A 22 -0.537 -10.491 2.844 1.00 0.00 H new ATOM 0 HA THR A 22 1.330 -11.283 4.799 1.00 0.00 H new ATOM 0 HB THR A 22 0.557 -12.741 2.242 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.411 -12.299 3.173 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.861 -14.757 3.631 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.353 -13.790 3.552 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.332 -13.734 5.009 1.00 0.00 H new ATOM 352 N ALA A 23 2.469 -10.670 1.769 1.00 0.00 N ATOM 353 CA ALA A 23 3.645 -10.466 0.938 1.00 0.00 C ATOM 354 C ALA A 23 4.511 -9.349 1.472 1.00 0.00 C ATOM 355 O ALA A 23 5.732 -9.488 1.555 1.00 0.00 O ATOM 356 CB ALA A 23 3.219 -10.169 -0.490 1.00 0.00 C ATOM 0 H ALA A 23 1.593 -10.428 1.305 1.00 0.00 H new ATOM 0 HA ALA A 23 4.238 -11.380 0.955 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.103 -10.017 -1.109 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.643 -11.008 -0.880 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.605 -9.269 -0.507 1.00 0.00 H new ATOM 362 N LEU A 24 3.888 -8.264 1.858 1.00 0.00 N ATOM 363 CA LEU A 24 4.609 -7.112 2.357 1.00 0.00 C ATOM 364 C LEU A 24 5.233 -7.392 3.709 1.00 0.00 C ATOM 365 O LEU A 24 6.389 -7.057 3.946 1.00 0.00 O ATOM 366 CB LEU A 24 3.711 -5.885 2.417 1.00 0.00 C ATOM 367 CG LEU A 24 3.071 -5.464 1.098 1.00 0.00 C ATOM 368 CD1 LEU A 24 2.331 -4.175 1.277 1.00 0.00 C ATOM 369 CD2 LEU A 24 4.096 -5.338 -0.014 1.00 0.00 C ATOM 0 H LEU A 24 2.875 -8.151 1.837 1.00 0.00 H new ATOM 0 HA LEU A 24 5.417 -6.904 1.656 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.917 -6.074 3.140 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.296 -5.048 2.798 1.00 0.00 H new ATOM 0 HG LEU A 24 2.369 -6.244 0.804 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.877 -3.882 0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.552 -4.304 2.028 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.024 -3.400 1.603 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.598 -5.036 -0.935 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.839 -4.588 0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.589 -6.299 -0.165 1.00 0.00 H new ATOM 381 N THR A 25 4.500 -8.048 4.576 1.00 0.00 N ATOM 382 CA THR A 25 5.014 -8.390 5.885 1.00 0.00 C ATOM 383 C THR A 25 6.137 -9.467 5.771 1.00 0.00 C ATOM 384 O THR A 25 7.029 -9.562 6.624 1.00 0.00 O ATOM 385 CB THR A 25 3.858 -8.842 6.807 1.00 0.00 C ATOM 386 OG1 THR A 25 2.860 -7.808 6.811 1.00 0.00 O ATOM 387 CG2 THR A 25 4.332 -9.067 8.237 1.00 0.00 C ATOM 0 H THR A 25 3.544 -8.357 4.401 1.00 0.00 H new ATOM 0 HA THR A 25 5.467 -7.507 6.336 1.00 0.00 H new ATOM 0 HB THR A 25 3.461 -9.785 6.430 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.316 -7.876 5.999 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.491 -9.384 8.854 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.101 -9.839 8.248 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.744 -8.139 8.634 1.00 0.00 H new ATOM 395 N ALA A 26 6.121 -10.228 4.682 1.00 0.00 N ATOM 396 CA ALA A 26 7.155 -11.230 4.417 1.00 0.00 C ATOM 397 C ALA A 26 8.382 -10.577 3.779 1.00 0.00 C ATOM 398 O ALA A 26 9.452 -11.171 3.702 1.00 0.00 O ATOM 399 CB ALA A 26 6.615 -12.309 3.501 1.00 0.00 C ATOM 0 H ALA A 26 5.400 -10.171 3.963 1.00 0.00 H new ATOM 0 HA ALA A 26 7.449 -11.680 5.365 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.393 -13.048 3.311 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.761 -12.794 3.974 1.00 0.00 H new ATOM 0 HB3 ALA A 26 6.301 -11.862 2.558 1.00 0.00 H new ATOM 405 N ASN A 27 8.215 -9.356 3.346 1.00 0.00 N ATOM 406 CA ASN A 27 9.271 -8.592 2.690 1.00 0.00 C ATOM 407 C ASN A 27 9.768 -7.469 3.576 1.00 0.00 C ATOM 408 O ASN A 27 10.488 -6.575 3.115 1.00 0.00 O ATOM 409 CB ASN A 27 8.768 -8.027 1.357 1.00 0.00 C ATOM 410 CG ASN A 27 8.991 -8.957 0.190 1.00 0.00 C ATOM 411 OD1 ASN A 27 10.041 -8.926 -0.450 1.00 0.00 O ATOM 412 ND2 ASN A 27 8.023 -9.764 -0.116 1.00 0.00 N ATOM 0 H ASN A 27 7.335 -8.848 3.435 1.00 0.00 H new ATOM 0 HA ASN A 27 10.105 -9.268 2.500 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.703 -7.811 1.441 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.271 -7.080 1.159 1.00 0.00 H new ATOM 0 HD21 ASN A 27 8.119 -10.399 -0.909 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.165 -9.764 0.436 1.00 0.00 H new ATOM 419 N ARG A 28 9.400 -7.546 4.853 1.00 0.00 N ATOM 420 CA ARG A 28 9.739 -6.548 5.876 1.00 0.00 C ATOM 421 C ARG A 28 9.287 -5.153 5.453 1.00 0.00 C ATOM 422 O ARG A 28 10.090 -4.253 5.189 1.00 0.00 O ATOM 423 CB ARG A 28 11.229 -6.567 6.256 1.00 0.00 C ATOM 424 CG ARG A 28 11.585 -5.669 7.441 1.00 0.00 C ATOM 425 CD ARG A 28 13.077 -5.664 7.723 1.00 0.00 C ATOM 426 NE ARG A 28 13.602 -7.012 8.001 1.00 0.00 N ATOM 427 CZ ARG A 28 14.486 -7.307 8.969 1.00 0.00 C ATOM 428 NH1 ARG A 28 15.019 -6.337 9.708 1.00 0.00 N ATOM 429 NH2 ARG A 28 14.869 -8.566 9.155 1.00 0.00 N ATOM 0 H ARG A 28 8.845 -8.320 5.218 1.00 0.00 H new ATOM 0 HA ARG A 28 9.191 -6.824 6.777 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.520 -7.591 6.490 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.817 -6.259 5.391 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.251 -4.651 7.238 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.050 -6.009 8.327 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.604 -5.241 6.868 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.281 -5.015 8.575 1.00 0.00 H new ATOM 0 HE ARG A 28 13.270 -7.778 7.415 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.757 -5.366 9.541 1.00 0.00 H new ATOM 0 HH12 ARG A 28 15.690 -6.565 10.442 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.492 -9.306 8.563 1.00 0.00 H new ATOM 0 HH22 ARG A 28 15.540 -8.792 9.889 1.00 0.00 H new ATOM 443 N ILE A 29 8.015 -5.018 5.291 1.00 0.00 N ATOM 444 CA ILE A 29 7.431 -3.770 4.934 1.00 0.00 C ATOM 445 C ILE A 29 6.412 -3.388 5.976 1.00 0.00 C ATOM 446 O ILE A 29 5.427 -4.110 6.196 1.00 0.00 O ATOM 447 CB ILE A 29 6.771 -3.835 3.536 1.00 0.00 C ATOM 448 CG1 ILE A 29 7.834 -4.167 2.468 1.00 0.00 C ATOM 449 CG2 ILE A 29 6.052 -2.523 3.219 1.00 0.00 C ATOM 450 CD1 ILE A 29 7.293 -4.320 1.074 1.00 0.00 C ATOM 0 H ILE A 29 7.344 -5.778 5.404 1.00 0.00 H new ATOM 0 HA ILE A 29 8.216 -3.016 4.890 1.00 0.00 H new ATOM 0 HB ILE A 29 6.023 -4.628 3.531 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.587 -3.379 2.467 1.00 0.00 H new ATOM 0 HG13 ILE A 29 8.339 -5.091 2.751 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.594 -2.588 2.232 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.279 -2.342 3.966 1.00 0.00 H new ATOM 0 HG23 ILE A 29 6.769 -1.702 3.233 1.00 0.00 H new ATOM 0 HD11 ILE A 29 8.110 -4.552 0.390 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.562 -5.128 1.054 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.815 -3.390 0.765 1.00 0.00 H new ATOM 462 N ALA A 30 6.676 -2.306 6.656 1.00 0.00 N ATOM 463 CA ALA A 30 5.776 -1.794 7.642 1.00 0.00 C ATOM 464 C ALA A 30 4.790 -0.866 6.972 1.00 0.00 C ATOM 465 O ALA A 30 5.158 0.220 6.476 1.00 0.00 O ATOM 466 CB ALA A 30 6.541 -1.074 8.719 1.00 0.00 C ATOM 0 H ALA A 30 7.526 -1.755 6.538 1.00 0.00 H new ATOM 0 HA ALA A 30 5.233 -2.616 8.109 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.845 -0.689 9.464 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.236 -1.765 9.195 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.097 -0.246 8.279 1.00 0.00 H new ATOM 472 N TYR A 31 3.566 -1.282 6.933 1.00 0.00 N ATOM 473 CA TYR A 31 2.539 -0.539 6.276 1.00 0.00 C ATOM 474 C TYR A 31 1.481 -0.075 7.248 1.00 0.00 C ATOM 475 O TYR A 31 1.163 -0.759 8.228 1.00 0.00 O ATOM 476 CB TYR A 31 1.919 -1.352 5.122 1.00 0.00 C ATOM 477 CG TYR A 31 1.406 -2.733 5.512 1.00 0.00 C ATOM 478 CD1 TYR A 31 0.131 -2.917 6.045 1.00 0.00 C ATOM 479 CD2 TYR A 31 2.211 -3.850 5.354 1.00 0.00 C ATOM 480 CE1 TYR A 31 -0.316 -4.172 6.408 1.00 0.00 C ATOM 481 CE2 TYR A 31 1.772 -5.104 5.716 1.00 0.00 C ATOM 482 CZ TYR A 31 0.513 -5.263 6.242 1.00 0.00 C ATOM 483 OH TYR A 31 0.083 -6.518 6.623 1.00 0.00 O ATOM 0 H TYR A 31 3.248 -2.153 7.359 1.00 0.00 H new ATOM 0 HA TYR A 31 3.000 0.351 5.849 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.094 -0.781 4.697 1.00 0.00 H new ATOM 0 HB3 TYR A 31 2.665 -1.467 4.336 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -0.518 -2.064 6.176 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.201 -3.735 4.939 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -1.307 -4.299 6.819 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.416 -5.961 5.587 1.00 0.00 H new ATOM 0 HH TYR A 31 0.852 -7.054 6.910 1.00 0.00 H new ATOM 493 N ASP A 32 0.972 1.082 6.991 1.00 0.00 N ATOM 494 CA ASP A 32 -0.083 1.656 7.766 1.00 0.00 C ATOM 495 C ASP A 32 -1.306 1.745 6.892 1.00 0.00 C ATOM 496 O ASP A 32 -1.270 2.364 5.825 1.00 0.00 O ATOM 497 CB ASP A 32 0.333 3.030 8.277 1.00 0.00 C ATOM 498 CG ASP A 32 -0.756 3.741 9.028 1.00 0.00 C ATOM 499 OD1 ASP A 32 -1.048 3.361 10.190 1.00 0.00 O ATOM 500 OD2 ASP A 32 -1.294 4.734 8.500 1.00 0.00 O ATOM 0 H ASP A 32 1.283 1.671 6.219 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.303 1.038 8.636 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.201 2.920 8.927 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.643 3.645 7.432 1.00 0.00 H new ATOM 505 N GLU A 33 -2.351 1.089 7.297 1.00 0.00 N ATOM 506 CA GLU A 33 -3.553 1.042 6.515 1.00 0.00 C ATOM 507 C GLU A 33 -4.543 2.110 6.974 1.00 0.00 C ATOM 508 O GLU A 33 -4.554 2.502 8.155 1.00 0.00 O ATOM 509 CB GLU A 33 -4.130 -0.374 6.503 1.00 0.00 C ATOM 510 CG GLU A 33 -4.450 -0.964 7.858 1.00 0.00 C ATOM 511 CD GLU A 33 -4.772 -2.434 7.760 1.00 0.00 C ATOM 512 OE1 GLU A 33 -5.825 -2.807 7.214 1.00 0.00 O ATOM 513 OE2 GLU A 33 -3.964 -3.261 8.212 1.00 0.00 O ATOM 0 H GLU A 33 -2.397 0.572 8.175 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.320 1.282 5.478 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.041 -0.370 5.905 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.421 -1.031 5.999 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.602 -0.820 8.528 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.296 -0.434 8.296 1.00 0.00 H new ATOM 520 N VAL A 34 -5.319 2.614 6.045 1.00 0.00 N ATOM 521 CA VAL A 34 -6.197 3.744 6.282 1.00 0.00 C ATOM 522 C VAL A 34 -7.641 3.328 6.606 1.00 0.00 C ATOM 523 O VAL A 34 -8.184 2.390 6.032 1.00 0.00 O ATOM 524 CB VAL A 34 -6.183 4.720 5.061 1.00 0.00 C ATOM 525 CG1 VAL A 34 -6.959 5.992 5.340 1.00 0.00 C ATOM 526 CG2 VAL A 34 -4.765 5.056 4.658 1.00 0.00 C ATOM 0 H VAL A 34 -5.362 2.251 5.093 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.807 4.254 7.163 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.675 4.204 4.236 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.922 6.640 4.464 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.996 5.744 5.564 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.517 6.508 6.192 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.780 5.736 3.807 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.252 5.532 5.494 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.239 4.142 4.383 1.00 0.00 H new ATOM 536 N ASP A 35 -8.239 4.119 7.485 1.00 0.00 N ATOM 537 CA ASP A 35 -9.618 4.024 8.035 1.00 0.00 C ATOM 538 C ASP A 35 -10.730 4.076 6.961 1.00 0.00 C ATOM 539 O ASP A 35 -11.910 4.037 7.307 1.00 0.00 O ATOM 540 CB ASP A 35 -9.869 5.182 9.015 1.00 0.00 C ATOM 541 CG ASP A 35 -8.793 5.357 10.060 1.00 0.00 C ATOM 542 OD1 ASP A 35 -7.743 5.955 9.738 1.00 0.00 O ATOM 543 OD2 ASP A 35 -8.988 4.956 11.220 1.00 0.00 O ATOM 0 H ASP A 35 -7.743 4.920 7.877 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.669 3.051 8.523 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -9.962 6.108 8.448 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -10.823 5.018 9.517 1.00 0.00 H new ATOM 548 N ILE A 36 -10.348 4.235 5.681 1.00 0.00 N ATOM 549 CA ILE A 36 -11.270 4.478 4.524 1.00 0.00 C ATOM 550 C ILE A 36 -12.523 3.592 4.462 1.00 0.00 C ATOM 551 O ILE A 36 -13.473 3.940 3.767 1.00 0.00 O ATOM 552 CB ILE A 36 -10.535 4.440 3.151 1.00 0.00 C ATOM 553 CG1 ILE A 36 -9.865 3.096 2.880 1.00 0.00 C ATOM 554 CG2 ILE A 36 -9.540 5.550 3.045 1.00 0.00 C ATOM 555 CD1 ILE A 36 -10.624 2.228 1.880 1.00 0.00 C ATOM 0 H ILE A 36 -9.368 4.200 5.401 1.00 0.00 H new ATOM 0 HA ILE A 36 -11.629 5.488 4.722 1.00 0.00 H new ATOM 0 HB ILE A 36 -11.300 4.577 2.387 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.856 3.271 2.505 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.766 2.552 3.820 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.041 5.500 2.077 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.052 6.508 3.141 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.800 5.453 3.840 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.091 1.288 1.735 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -11.624 2.023 2.262 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.700 2.752 0.927 1.00 0.00 H new ATOM 567 N GLU A 37 -12.499 2.448 5.130 1.00 0.00 N ATOM 568 CA GLU A 37 -13.671 1.586 5.241 1.00 0.00 C ATOM 569 C GLU A 37 -14.864 2.386 5.800 1.00 0.00 C ATOM 570 O GLU A 37 -15.966 2.369 5.237 1.00 0.00 O ATOM 571 CB GLU A 37 -13.368 0.432 6.185 1.00 0.00 C ATOM 572 CG GLU A 37 -14.551 -0.489 6.425 1.00 0.00 C ATOM 573 CD GLU A 37 -14.269 -1.505 7.476 1.00 0.00 C ATOM 574 OE1 GLU A 37 -13.594 -2.501 7.186 1.00 0.00 O ATOM 575 OE2 GLU A 37 -14.722 -1.315 8.628 1.00 0.00 O ATOM 0 H GLU A 37 -11.672 2.091 5.609 1.00 0.00 H new ATOM 0 HA GLU A 37 -13.920 1.203 4.251 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.542 -0.151 5.778 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -13.033 0.835 7.141 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -15.417 0.104 6.719 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -14.811 -0.994 5.495 1.00 0.00 H new ATOM 582 N HIS A 38 -14.629 3.100 6.873 1.00 0.00 N ATOM 583 CA HIS A 38 -15.675 3.871 7.510 1.00 0.00 C ATOM 584 C HIS A 38 -15.420 5.372 7.347 1.00 0.00 C ATOM 585 O HIS A 38 -16.357 6.161 7.285 1.00 0.00 O ATOM 586 CB HIS A 38 -15.810 3.462 8.992 1.00 0.00 C ATOM 587 CG HIS A 38 -16.831 4.233 9.783 1.00 0.00 C ATOM 588 ND1 HIS A 38 -16.505 5.065 10.825 1.00 0.00 N ATOM 589 CD2 HIS A 38 -18.179 4.277 9.675 1.00 0.00 C ATOM 590 CE1 HIS A 38 -17.623 5.584 11.312 1.00 0.00 C ATOM 591 NE2 HIS A 38 -18.682 5.139 10.651 1.00 0.00 N ATOM 0 H HIS A 38 -13.718 3.165 7.328 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.624 3.655 7.020 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -16.064 2.403 9.037 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -14.839 3.578 9.473 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -18.769 3.734 8.952 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -17.665 6.278 12.138 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -19.659 5.377 10.820 1.00 0.00 H new ATOM 599 N ASN A 39 -14.164 5.762 7.257 1.00 0.00 N ATOM 600 CA ASN A 39 -13.840 7.173 7.062 1.00 0.00 C ATOM 601 C ASN A 39 -14.067 7.541 5.624 1.00 0.00 C ATOM 602 O ASN A 39 -13.235 7.208 4.763 1.00 0.00 O ATOM 603 CB ASN A 39 -12.383 7.488 7.394 1.00 0.00 C ATOM 604 CG ASN A 39 -12.064 8.977 7.226 1.00 0.00 C ATOM 605 OD1 ASN A 39 -12.890 9.833 7.511 1.00 0.00 O ATOM 606 ND2 ASN A 39 -10.937 9.287 6.640 1.00 0.00 N ATOM 0 H ASN A 39 -13.359 5.139 7.314 1.00 0.00 H new ATOM 0 HA ASN A 39 -14.483 7.742 7.733 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -12.172 7.186 8.420 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -11.729 6.902 6.748 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.732 10.260 6.411 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.263 8.556 6.412 1.00 0.00 H new ATOM 613 N ARG A 40 -15.160 8.223 5.336 1.00 0.00 N ATOM 614 CA ARG A 40 -15.428 8.570 3.961 1.00 0.00 C ATOM 615 C ARG A 40 -14.479 9.652 3.480 1.00 0.00 C ATOM 616 O ARG A 40 -14.185 9.717 2.308 1.00 0.00 O ATOM 617 CB ARG A 40 -16.886 8.988 3.677 1.00 0.00 C ATOM 618 CG ARG A 40 -17.291 10.346 4.219 1.00 0.00 C ATOM 619 CD ARG A 40 -18.596 10.830 3.603 1.00 0.00 C ATOM 620 NE ARG A 40 -18.509 10.971 2.127 1.00 0.00 N ATOM 621 CZ ARG A 40 -19.313 11.746 1.373 1.00 0.00 C ATOM 622 NH1 ARG A 40 -20.245 12.515 1.935 1.00 0.00 N ATOM 623 NH2 ARG A 40 -19.178 11.745 0.056 1.00 0.00 N ATOM 0 H ARG A 40 -15.854 8.537 6.014 1.00 0.00 H new ATOM 0 HA ARG A 40 -15.262 7.649 3.402 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -17.044 8.984 2.598 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -17.551 8.234 4.099 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -17.399 10.288 5.302 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -16.502 11.070 4.015 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -19.393 10.130 3.852 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -18.867 11.790 4.041 1.00 0.00 H new ATOM 0 HE ARG A 40 -17.783 10.439 1.646 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -20.357 12.522 2.949 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -20.846 13.096 1.351 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -18.468 11.159 -0.383 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -19.784 12.330 -0.519 1.00 0.00 H new ATOM 637 N ALA A 41 -13.961 10.467 4.402 1.00 0.00 N ATOM 638 CA ALA A 41 -13.102 11.581 4.024 1.00 0.00 C ATOM 639 C ALA A 41 -11.861 11.156 3.254 1.00 0.00 C ATOM 640 O ALA A 41 -11.524 11.755 2.244 1.00 0.00 O ATOM 641 CB ALA A 41 -12.804 12.519 5.184 1.00 0.00 C ATOM 0 H ALA A 41 -14.122 10.375 5.405 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.683 12.170 3.314 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.160 13.329 4.841 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -13.737 12.934 5.565 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.301 11.967 5.978 1.00 0.00 H new ATOM 647 N ALA A 42 -11.226 10.102 3.678 1.00 0.00 N ATOM 648 CA ALA A 42 -10.075 9.615 2.946 1.00 0.00 C ATOM 649 C ALA A 42 -10.527 8.659 1.836 1.00 0.00 C ATOM 650 O ALA A 42 -9.825 8.452 0.846 1.00 0.00 O ATOM 651 CB ALA A 42 -9.071 8.958 3.881 1.00 0.00 C ATOM 0 H ALA A 42 -11.473 9.566 4.510 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.570 10.461 2.480 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.217 8.601 3.305 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.733 9.684 4.620 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.543 8.117 4.389 1.00 0.00 H new ATOM 657 N ALA A 43 -11.731 8.113 1.995 1.00 0.00 N ATOM 658 CA ALA A 43 -12.295 7.168 1.040 1.00 0.00 C ATOM 659 C ALA A 43 -12.616 7.843 -0.272 1.00 0.00 C ATOM 660 O ALA A 43 -12.507 7.224 -1.340 1.00 0.00 O ATOM 661 CB ALA A 43 -13.537 6.517 1.598 1.00 0.00 C ATOM 0 H ALA A 43 -12.340 8.314 2.788 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.544 6.399 0.859 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -13.940 5.816 0.867 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -13.287 5.982 2.514 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.282 7.282 1.816 1.00 0.00 H new ATOM 667 N GLU A 44 -13.012 9.108 -0.198 1.00 0.00 N ATOM 668 CA GLU A 44 -13.312 9.888 -1.385 1.00 0.00 C ATOM 669 C GLU A 44 -12.058 10.011 -2.265 1.00 0.00 C ATOM 670 O GLU A 44 -12.140 9.933 -3.491 1.00 0.00 O ATOM 671 CB GLU A 44 -13.852 11.282 -1.028 1.00 0.00 C ATOM 672 CG GLU A 44 -15.094 11.309 -0.122 1.00 0.00 C ATOM 673 CD GLU A 44 -16.246 10.437 -0.595 1.00 0.00 C ATOM 674 OE1 GLU A 44 -16.589 10.455 -1.791 1.00 0.00 O ATOM 675 OE2 GLU A 44 -16.841 9.712 0.235 1.00 0.00 O ATOM 0 H GLU A 44 -13.132 9.615 0.679 1.00 0.00 H new ATOM 0 HA GLU A 44 -14.092 9.366 -1.939 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -13.057 11.844 -0.538 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -14.090 11.806 -1.954 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -14.803 10.991 0.879 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -15.445 12.338 -0.040 1.00 0.00 H new ATOM 682 N PHE A 45 -10.892 10.136 -1.620 1.00 0.00 N ATOM 683 CA PHE A 45 -9.617 10.219 -2.333 1.00 0.00 C ATOM 684 C PHE A 45 -9.320 8.888 -3.031 1.00 0.00 C ATOM 685 O PHE A 45 -8.824 8.857 -4.158 1.00 0.00 O ATOM 686 CB PHE A 45 -8.472 10.615 -1.370 1.00 0.00 C ATOM 687 CG PHE A 45 -7.103 10.694 -2.015 1.00 0.00 C ATOM 688 CD1 PHE A 45 -6.866 11.570 -3.064 1.00 0.00 C ATOM 689 CD2 PHE A 45 -6.058 9.883 -1.578 1.00 0.00 C ATOM 690 CE1 PHE A 45 -5.624 11.639 -3.664 1.00 0.00 C ATOM 691 CE2 PHE A 45 -4.809 9.951 -2.178 1.00 0.00 C ATOM 692 CZ PHE A 45 -4.595 10.829 -3.220 1.00 0.00 C ATOM 0 H PHE A 45 -10.808 10.182 -0.605 1.00 0.00 H new ATOM 0 HA PHE A 45 -9.689 10.997 -3.093 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -8.706 11.583 -0.927 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -8.434 9.892 -0.555 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -7.664 12.207 -3.416 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.222 9.194 -0.763 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.456 12.326 -4.480 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.006 9.318 -1.830 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.624 10.884 -3.689 1.00 0.00 H new ATOM 702 N VAL A 46 -9.678 7.800 -2.372 1.00 0.00 N ATOM 703 CA VAL A 46 -9.514 6.460 -2.927 1.00 0.00 C ATOM 704 C VAL A 46 -10.394 6.321 -4.168 1.00 0.00 C ATOM 705 O VAL A 46 -9.967 5.825 -5.208 1.00 0.00 O ATOM 706 CB VAL A 46 -9.914 5.371 -1.903 1.00 0.00 C ATOM 707 CG1 VAL A 46 -9.674 3.988 -2.468 1.00 0.00 C ATOM 708 CG2 VAL A 46 -9.149 5.545 -0.620 1.00 0.00 C ATOM 0 H VAL A 46 -10.090 7.816 -1.439 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.463 6.323 -3.182 1.00 0.00 H new ATOM 0 HB VAL A 46 -10.978 5.480 -1.694 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -9.962 3.239 -1.731 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -10.269 3.856 -3.372 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.617 3.872 -2.709 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -9.444 4.770 0.087 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -8.080 5.466 -0.820 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.367 6.525 -0.196 1.00 0.00 H new ATOM 718 N GLY A 47 -11.604 6.830 -4.057 1.00 0.00 N ATOM 719 CA GLY A 47 -12.547 6.789 -5.153 1.00 0.00 C ATOM 720 C GLY A 47 -12.130 7.681 -6.306 1.00 0.00 C ATOM 721 O GLY A 47 -12.608 7.525 -7.428 1.00 0.00 O ATOM 0 H GLY A 47 -11.958 7.279 -3.213 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.644 5.763 -5.507 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.530 7.097 -4.795 1.00 0.00 H new ATOM 725 N SER A 48 -11.250 8.620 -6.026 1.00 0.00 N ATOM 726 CA SER A 48 -10.727 9.497 -7.036 1.00 0.00 C ATOM 727 C SER A 48 -9.593 8.802 -7.807 1.00 0.00 C ATOM 728 O SER A 48 -9.489 8.938 -9.039 1.00 0.00 O ATOM 729 CB SER A 48 -10.216 10.789 -6.394 1.00 0.00 C ATOM 730 OG SER A 48 -11.231 11.423 -5.628 1.00 0.00 O ATOM 0 H SER A 48 -10.882 8.791 -5.090 1.00 0.00 H new ATOM 0 HA SER A 48 -11.525 9.744 -7.737 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.361 10.567 -5.755 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.865 11.469 -7.170 1.00 0.00 H new ATOM 0 HG SER A 48 -11.479 10.848 -4.874 1.00 0.00 H new ATOM 736 N VAL A 49 -8.765 8.038 -7.093 1.00 0.00 N ATOM 737 CA VAL A 49 -7.632 7.367 -7.715 1.00 0.00 C ATOM 738 C VAL A 49 -8.054 6.088 -8.436 1.00 0.00 C ATOM 739 O VAL A 49 -7.516 5.761 -9.493 1.00 0.00 O ATOM 740 CB VAL A 49 -6.442 7.105 -6.733 1.00 0.00 C ATOM 741 CG1 VAL A 49 -5.924 8.415 -6.159 1.00 0.00 C ATOM 742 CG2 VAL A 49 -6.815 6.144 -5.612 1.00 0.00 C ATOM 0 H VAL A 49 -8.860 7.872 -6.091 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.255 8.065 -8.463 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.650 6.631 -7.312 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.097 8.212 -5.479 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.578 9.056 -6.970 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.725 8.917 -5.617 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.955 5.996 -4.959 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.641 6.560 -5.036 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.116 5.187 -6.038 1.00 0.00 H new ATOM 752 N ASN A 50 -9.028 5.390 -7.891 1.00 0.00 N ATOM 753 CA ASN A 50 -9.546 4.199 -8.538 1.00 0.00 C ATOM 754 C ASN A 50 -10.567 4.624 -9.560 1.00 0.00 C ATOM 755 O ASN A 50 -11.378 5.517 -9.292 1.00 0.00 O ATOM 756 CB ASN A 50 -10.229 3.246 -7.545 1.00 0.00 C ATOM 757 CG ASN A 50 -9.346 2.686 -6.434 1.00 0.00 C ATOM 758 OD1 ASN A 50 -9.844 2.400 -5.360 1.00 0.00 O ATOM 759 ND2 ASN A 50 -8.068 2.488 -6.680 1.00 0.00 N ATOM 0 H ASN A 50 -9.477 5.624 -7.005 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.707 3.670 -8.991 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -11.066 3.772 -7.085 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -10.647 2.410 -8.105 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.467 2.085 -5.961 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.679 2.738 -7.589 1.00 0.00 H new ATOM 766 N GLY A 51 -10.530 4.028 -10.716 1.00 0.00 N ATOM 767 CA GLY A 51 -11.487 4.361 -11.738 1.00 0.00 C ATOM 768 C GLY A 51 -12.609 3.360 -11.777 1.00 0.00 C ATOM 769 O GLY A 51 -12.370 2.156 -11.629 1.00 0.00 O ATOM 0 H GLY A 51 -9.852 3.312 -10.977 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -11.890 5.357 -11.552 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.991 4.394 -12.708 1.00 0.00 H new ATOM 773 N GLY A 52 -13.819 3.838 -11.953 1.00 0.00 N ATOM 774 CA GLY A 52 -14.969 2.962 -12.015 1.00 0.00 C ATOM 775 C GLY A 52 -15.391 2.488 -10.639 1.00 0.00 C ATOM 776 O GLY A 52 -16.241 3.113 -9.984 1.00 0.00 O ATOM 0 H GLY A 52 -14.034 4.830 -12.056 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -15.799 3.485 -12.489 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -14.736 2.100 -12.641 1.00 0.00 H new ATOM 780 N ASN A 53 -14.800 1.408 -10.193 1.00 0.00 N ATOM 781 CA ASN A 53 -15.093 0.860 -8.886 1.00 0.00 C ATOM 782 C ASN A 53 -13.870 0.833 -8.006 1.00 0.00 C ATOM 783 O ASN A 53 -12.747 0.618 -8.495 1.00 0.00 O ATOM 784 CB ASN A 53 -15.805 -0.523 -8.944 1.00 0.00 C ATOM 785 CG ASN A 53 -15.111 -1.637 -9.759 1.00 0.00 C ATOM 786 OD1 ASN A 53 -15.794 -2.491 -10.327 1.00 0.00 O ATOM 787 ND2 ASN A 53 -13.793 -1.662 -9.823 1.00 0.00 N ATOM 0 H ASN A 53 -14.104 0.883 -10.722 1.00 0.00 H new ATOM 0 HA ASN A 53 -15.810 1.540 -8.427 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.933 -0.881 -7.922 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -16.803 -0.373 -9.357 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -13.322 -2.398 -10.350 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -13.246 -0.946 -9.346 1.00 0.00 H new ATOM 794 N ARG A 54 -14.080 1.050 -6.716 1.00 0.00 N ATOM 795 CA ARG A 54 -13.002 1.091 -5.740 1.00 0.00 C ATOM 796 C ARG A 54 -12.258 -0.241 -5.688 1.00 0.00 C ATOM 797 O ARG A 54 -12.869 -1.311 -5.603 1.00 0.00 O ATOM 798 CB ARG A 54 -13.529 1.460 -4.335 1.00 0.00 C ATOM 799 CG ARG A 54 -12.428 1.640 -3.293 1.00 0.00 C ATOM 800 CD ARG A 54 -12.979 1.987 -1.914 1.00 0.00 C ATOM 801 NE ARG A 54 -13.734 0.883 -1.316 1.00 0.00 N ATOM 802 CZ ARG A 54 -14.643 1.002 -0.329 1.00 0.00 C ATOM 803 NH1 ARG A 54 -14.998 2.206 0.126 1.00 0.00 N ATOM 804 NH2 ARG A 54 -15.206 -0.084 0.175 1.00 0.00 N ATOM 0 H ARG A 54 -15.006 1.203 -6.316 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.305 1.866 -6.059 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.106 2.382 -4.404 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -14.213 0.681 -3.997 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.842 0.723 -3.226 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.750 2.429 -3.619 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.154 2.258 -1.255 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.624 2.862 -1.994 1.00 0.00 H new ATOM 0 HE ARG A 54 -13.556 -0.054 -1.677 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.580 3.046 -0.274 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -15.687 2.286 0.874 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -14.951 -1.004 -0.184 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -15.895 -0.001 0.923 1.00 0.00 H new ATOM 818 N THR A 55 -10.969 -0.151 -5.753 1.00 0.00 N ATOM 819 CA THR A 55 -10.090 -1.269 -5.667 1.00 0.00 C ATOM 820 C THR A 55 -9.430 -1.137 -4.320 1.00 0.00 C ATOM 821 O THR A 55 -8.919 -0.062 -4.009 1.00 0.00 O ATOM 822 CB THR A 55 -9.037 -1.162 -6.778 1.00 0.00 C ATOM 823 OG1 THR A 55 -9.732 -0.908 -8.018 1.00 0.00 O ATOM 824 CG2 THR A 55 -8.247 -2.461 -6.902 1.00 0.00 C ATOM 0 H THR A 55 -10.482 0.738 -5.872 1.00 0.00 H new ATOM 0 HA THR A 55 -10.604 -2.224 -5.779 1.00 0.00 H new ATOM 0 HB THR A 55 -8.337 -0.359 -6.545 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.082 -0.833 -8.748 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.506 -2.362 -7.696 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.742 -2.671 -5.959 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.927 -3.279 -7.140 1.00 0.00 H new ATOM 832 N VAL A 56 -9.456 -2.162 -3.513 1.00 0.00 N ATOM 833 CA VAL A 56 -8.990 -1.984 -2.173 1.00 0.00 C ATOM 834 C VAL A 56 -7.531 -1.871 -2.052 1.00 0.00 C ATOM 835 O VAL A 56 -7.086 -0.804 -1.650 1.00 0.00 O ATOM 836 CB VAL A 56 -9.450 -2.986 -1.139 1.00 0.00 C ATOM 837 CG1 VAL A 56 -9.124 -2.445 0.243 1.00 0.00 C ATOM 838 CG2 VAL A 56 -10.876 -3.212 -1.242 1.00 0.00 C ATOM 0 H VAL A 56 -9.784 -3.098 -3.751 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.475 -1.035 -1.945 1.00 0.00 H new ATOM 0 HB VAL A 56 -8.938 -3.933 -1.308 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.451 -3.159 0.999 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.048 -2.292 0.329 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.639 -1.496 0.393 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -11.185 -3.936 -0.488 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.406 -2.273 -1.081 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -11.113 -3.597 -2.234 1.00 0.00 H new ATOM 848 N PRO A 57 -6.700 -2.935 -2.377 1.00 0.00 N ATOM 849 CA PRO A 57 -5.348 -2.858 -2.023 1.00 0.00 C ATOM 850 C PRO A 57 -4.551 -1.874 -2.919 1.00 0.00 C ATOM 851 O PRO A 57 -3.907 -2.240 -3.924 1.00 0.00 O ATOM 852 CB PRO A 57 -4.827 -4.268 -2.083 1.00 0.00 C ATOM 853 CG PRO A 57 -5.610 -4.858 -3.203 1.00 0.00 C ATOM 854 CD PRO A 57 -6.986 -4.232 -3.087 1.00 0.00 C ATOM 0 HA PRO A 57 -5.226 -2.446 -1.021 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.755 -4.296 -2.279 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -4.994 -4.802 -1.147 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.153 -4.633 -4.167 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.661 -5.944 -3.121 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.440 -4.067 -4.064 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.671 -4.862 -2.520 1.00 0.00 H new ATOM 862 N THR A 58 -4.690 -0.666 -2.582 1.00 0.00 N ATOM 863 CA THR A 58 -4.126 0.426 -3.229 1.00 0.00 C ATOM 864 C THR A 58 -3.146 1.054 -2.250 1.00 0.00 C ATOM 865 O THR A 58 -3.468 1.236 -1.064 1.00 0.00 O ATOM 866 CB THR A 58 -5.282 1.393 -3.583 1.00 0.00 C ATOM 867 OG1 THR A 58 -6.239 0.707 -4.425 1.00 0.00 O ATOM 868 CG2 THR A 58 -4.802 2.638 -4.297 1.00 0.00 C ATOM 0 H THR A 58 -5.251 -0.394 -1.775 1.00 0.00 H new ATOM 0 HA THR A 58 -3.597 0.165 -4.145 1.00 0.00 H new ATOM 0 HB THR A 58 -5.740 1.707 -2.645 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.086 0.607 -3.943 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.654 3.280 -4.521 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.100 3.175 -3.659 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.306 2.356 -5.226 1.00 0.00 H new ATOM 876 N VAL A 59 -1.965 1.324 -2.706 1.00 0.00 N ATOM 877 CA VAL A 59 -0.930 1.822 -1.846 1.00 0.00 C ATOM 878 C VAL A 59 -0.485 3.218 -2.280 1.00 0.00 C ATOM 879 O VAL A 59 -0.446 3.525 -3.467 1.00 0.00 O ATOM 880 CB VAL A 59 0.275 0.836 -1.826 1.00 0.00 C ATOM 881 CG1 VAL A 59 0.829 0.634 -3.210 1.00 0.00 C ATOM 882 CG2 VAL A 59 1.358 1.285 -0.866 1.00 0.00 C ATOM 0 H VAL A 59 -1.687 1.207 -3.681 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.329 1.900 -0.835 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.098 -0.123 -1.465 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.669 -0.059 -3.168 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.053 0.224 -3.856 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.167 1.590 -3.610 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.179 0.569 -0.883 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.726 2.266 -1.166 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.949 1.343 0.143 1.00 0.00 H new ATOM 892 N LYS A 60 -0.191 4.044 -1.323 1.00 0.00 N ATOM 893 CA LYS A 60 0.300 5.371 -1.552 1.00 0.00 C ATOM 894 C LYS A 60 1.709 5.443 -0.977 1.00 0.00 C ATOM 895 O LYS A 60 1.949 5.012 0.165 1.00 0.00 O ATOM 896 CB LYS A 60 -0.601 6.389 -0.842 1.00 0.00 C ATOM 897 CG LYS A 60 -0.246 7.834 -1.072 1.00 0.00 C ATOM 898 CD LYS A 60 -1.069 8.715 -0.160 1.00 0.00 C ATOM 899 CE LYS A 60 -0.775 10.169 -0.394 1.00 0.00 C ATOM 900 NZ LYS A 60 -1.315 11.018 0.689 1.00 0.00 N ATOM 0 H LYS A 60 -0.288 3.809 -0.335 1.00 0.00 H new ATOM 0 HA LYS A 60 0.306 5.600 -2.618 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.629 6.228 -1.167 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.571 6.191 0.229 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.816 7.991 -0.884 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.428 8.102 -2.113 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.129 8.525 -0.327 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.860 8.462 0.879 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.303 10.315 -0.468 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.204 10.478 -1.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.092 12.015 0.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.347 10.898 0.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.886 10.740 1.595 1.00 0.00 H new ATOM 914 N PHE A 61 2.626 5.941 -1.757 1.00 0.00 N ATOM 915 CA PHE A 61 4.002 6.071 -1.323 1.00 0.00 C ATOM 916 C PHE A 61 4.300 7.515 -1.004 1.00 0.00 C ATOM 917 O PHE A 61 3.457 8.387 -1.223 1.00 0.00 O ATOM 918 CB PHE A 61 4.971 5.572 -2.411 1.00 0.00 C ATOM 919 CG PHE A 61 4.873 4.103 -2.688 1.00 0.00 C ATOM 920 CD1 PHE A 61 3.967 3.605 -3.612 1.00 0.00 C ATOM 921 CD2 PHE A 61 5.684 3.216 -2.015 1.00 0.00 C ATOM 922 CE1 PHE A 61 3.883 2.248 -3.847 1.00 0.00 C ATOM 923 CE2 PHE A 61 5.596 1.865 -2.252 1.00 0.00 C ATOM 924 CZ PHE A 61 4.695 1.381 -3.167 1.00 0.00 C ATOM 0 H PHE A 61 2.450 6.269 -2.707 1.00 0.00 H new ATOM 0 HA PHE A 61 4.140 5.461 -0.431 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.777 6.119 -3.334 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.992 5.807 -2.109 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.323 4.284 -4.151 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.397 3.586 -1.293 1.00 0.00 H new ATOM 0 HE1 PHE A 61 3.175 1.869 -4.569 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.238 1.182 -1.716 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.627 0.319 -3.350 1.00 0.00 H new ATOM 934 N ALA A 62 5.528 7.778 -0.546 1.00 0.00 N ATOM 935 CA ALA A 62 5.999 9.142 -0.236 1.00 0.00 C ATOM 936 C ALA A 62 6.036 10.000 -1.506 1.00 0.00 C ATOM 937 O ALA A 62 6.138 11.223 -1.451 1.00 0.00 O ATOM 938 CB ALA A 62 7.379 9.088 0.409 1.00 0.00 C ATOM 0 H ALA A 62 6.228 7.055 -0.378 1.00 0.00 H new ATOM 0 HA ALA A 62 5.302 9.599 0.467 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.716 10.100 0.633 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.327 8.510 1.332 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.083 8.615 -0.276 1.00 0.00 H new ATOM 944 N ASP A 63 5.940 9.324 -2.642 1.00 0.00 N ATOM 945 CA ASP A 63 5.872 9.944 -3.964 1.00 0.00 C ATOM 946 C ASP A 63 4.553 10.714 -4.125 1.00 0.00 C ATOM 947 O ASP A 63 4.433 11.612 -4.951 1.00 0.00 O ATOM 948 CB ASP A 63 5.967 8.831 -5.023 1.00 0.00 C ATOM 949 CG ASP A 63 5.693 9.297 -6.432 1.00 0.00 C ATOM 950 OD1 ASP A 63 6.582 9.900 -7.055 1.00 0.00 O ATOM 951 OD2 ASP A 63 4.587 9.041 -6.943 1.00 0.00 O ATOM 0 H ASP A 63 5.906 8.305 -2.674 1.00 0.00 H new ATOM 0 HA ASP A 63 6.693 10.650 -4.086 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.964 8.391 -4.984 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.260 8.041 -4.769 1.00 0.00 H new ATOM 956 N GLY A 64 3.585 10.380 -3.292 1.00 0.00 N ATOM 957 CA GLY A 64 2.313 11.060 -3.305 1.00 0.00 C ATOM 958 C GLY A 64 1.291 10.385 -4.186 1.00 0.00 C ATOM 959 O GLY A 64 0.085 10.562 -3.995 1.00 0.00 O ATOM 0 H GLY A 64 3.661 9.638 -2.597 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.927 11.115 -2.287 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.459 12.085 -3.647 1.00 0.00 H new ATOM 963 N SER A 65 1.748 9.608 -5.134 1.00 0.00 N ATOM 964 CA SER A 65 0.857 8.936 -6.023 1.00 0.00 C ATOM 965 C SER A 65 0.517 7.548 -5.462 1.00 0.00 C ATOM 966 O SER A 65 1.188 7.054 -4.524 1.00 0.00 O ATOM 967 CB SER A 65 1.481 8.854 -7.425 1.00 0.00 C ATOM 968 OG SER A 65 0.545 8.421 -8.412 1.00 0.00 O ATOM 0 H SER A 65 2.738 9.429 -5.305 1.00 0.00 H new ATOM 0 HA SER A 65 -0.074 9.496 -6.111 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.872 9.832 -7.704 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.327 8.167 -7.404 1.00 0.00 H new ATOM 0 HG SER A 65 0.985 8.386 -9.287 1.00 0.00 H new ATOM 974 N THR A 66 -0.506 6.943 -6.007 1.00 0.00 N ATOM 975 CA THR A 66 -0.970 5.671 -5.561 1.00 0.00 C ATOM 976 C THR A 66 -0.782 4.606 -6.638 1.00 0.00 C ATOM 977 O THR A 66 -0.951 4.874 -7.834 1.00 0.00 O ATOM 978 CB THR A 66 -2.464 5.753 -5.171 1.00 0.00 C ATOM 979 OG1 THR A 66 -3.205 6.365 -6.231 1.00 0.00 O ATOM 980 CG2 THR A 66 -2.662 6.553 -3.898 1.00 0.00 C ATOM 0 H THR A 66 -1.042 7.332 -6.783 1.00 0.00 H new ATOM 0 HA THR A 66 -0.381 5.389 -4.688 1.00 0.00 H new ATOM 0 HB THR A 66 -2.822 4.738 -4.998 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.775 5.694 -6.662 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.723 6.590 -3.653 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.118 6.078 -3.082 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.287 7.566 -4.043 1.00 0.00 H new ATOM 988 N LEU A 67 -0.394 3.435 -6.222 1.00 0.00 N ATOM 989 CA LEU A 67 -0.280 2.307 -7.109 1.00 0.00 C ATOM 990 C LEU A 67 -1.398 1.333 -6.817 1.00 0.00 C ATOM 991 O LEU A 67 -1.563 0.872 -5.674 1.00 0.00 O ATOM 992 CB LEU A 67 1.103 1.608 -7.032 1.00 0.00 C ATOM 993 CG LEU A 67 2.267 2.249 -7.828 1.00 0.00 C ATOM 994 CD1 LEU A 67 2.631 3.646 -7.337 1.00 0.00 C ATOM 995 CD2 LEU A 67 3.494 1.333 -7.854 1.00 0.00 C ATOM 0 H LEU A 67 -0.146 3.232 -5.254 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.366 2.677 -8.131 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.398 1.558 -5.984 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.982 0.582 -7.378 1.00 0.00 H new ATOM 0 HG LEU A 67 1.907 2.369 -8.850 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.453 4.039 -7.935 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.766 4.302 -7.433 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.935 3.596 -6.291 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.293 1.811 -8.420 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.832 1.148 -6.834 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.231 0.386 -8.326 1.00 0.00 H new ATOM 1007 N THR A 68 -2.179 1.058 -7.816 1.00 0.00 N ATOM 1008 CA THR A 68 -3.295 0.173 -7.701 1.00 0.00 C ATOM 1009 C THR A 68 -2.896 -1.211 -8.218 1.00 0.00 C ATOM 1010 O THR A 68 -2.592 -1.375 -9.404 1.00 0.00 O ATOM 1011 CB THR A 68 -4.484 0.727 -8.511 1.00 0.00 C ATOM 1012 OG1 THR A 68 -4.737 2.081 -8.092 1.00 0.00 O ATOM 1013 CG2 THR A 68 -5.736 -0.107 -8.282 1.00 0.00 C ATOM 0 H THR A 68 -2.056 1.449 -8.750 1.00 0.00 H new ATOM 0 HA THR A 68 -3.594 0.091 -6.656 1.00 0.00 H new ATOM 0 HB THR A 68 -4.235 0.691 -9.572 1.00 0.00 H new ATOM 0 HG1 THR A 68 -5.491 2.446 -8.601 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.560 0.305 -8.865 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.550 -1.135 -8.593 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.996 -0.090 -7.224 1.00 0.00 H new ATOM 1021 N ASN A 69 -2.878 -2.179 -7.310 1.00 0.00 N ATOM 1022 CA ASN A 69 -2.491 -3.577 -7.608 1.00 0.00 C ATOM 1023 C ASN A 69 -1.045 -3.709 -8.116 1.00 0.00 C ATOM 1024 O ASN A 69 -0.818 -4.128 -9.259 1.00 0.00 O ATOM 1025 CB ASN A 69 -3.465 -4.273 -8.597 1.00 0.00 C ATOM 1026 CG ASN A 69 -4.867 -4.492 -8.053 1.00 0.00 C ATOM 1027 OD1 ASN A 69 -4.984 -4.825 -6.787 1.00 0.00 O flip ATOM 1028 ND2 ASN A 69 -5.844 -4.413 -8.798 1.00 0.00 N flip ATOM 0 H ASN A 69 -3.132 -2.028 -6.334 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.555 -4.091 -6.649 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.531 -3.673 -9.505 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.045 -5.238 -8.882 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.720 -4.152 -9.776 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.778 -4.609 -8.437 1.00 0.00 H new ATOM 1035 N PRO A 70 -0.036 -3.329 -7.308 1.00 0.00 N ATOM 1036 CA PRO A 70 1.358 -3.493 -7.682 1.00 0.00 C ATOM 1037 C PRO A 70 1.888 -4.844 -7.187 1.00 0.00 C ATOM 1038 O PRO A 70 1.187 -5.574 -6.476 1.00 0.00 O ATOM 1039 CB PRO A 70 2.022 -2.361 -6.916 1.00 0.00 C ATOM 1040 CG PRO A 70 1.267 -2.329 -5.630 1.00 0.00 C ATOM 1041 CD PRO A 70 -0.158 -2.688 -5.974 1.00 0.00 C ATOM 0 HA PRO A 70 1.534 -3.470 -8.758 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.083 -2.552 -6.755 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.946 -1.414 -7.451 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.686 -3.037 -4.914 1.00 0.00 H new ATOM 0 HG3 PRO A 70 1.321 -1.342 -5.171 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.590 -3.367 -5.239 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -0.798 -1.806 -6.008 1.00 0.00 H new ATOM 1049 N SER A 71 3.087 -5.181 -7.551 1.00 0.00 N ATOM 1050 CA SER A 71 3.678 -6.396 -7.065 1.00 0.00 C ATOM 1051 C SER A 71 4.413 -6.089 -5.766 1.00 0.00 C ATOM 1052 O SER A 71 4.900 -4.966 -5.587 1.00 0.00 O ATOM 1053 CB SER A 71 4.660 -6.918 -8.084 1.00 0.00 C ATOM 1054 OG SER A 71 4.100 -6.896 -9.393 1.00 0.00 O ATOM 0 H SER A 71 3.676 -4.636 -8.181 1.00 0.00 H new ATOM 0 HA SER A 71 2.906 -7.146 -6.892 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.567 -6.314 -8.063 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.950 -7.937 -7.826 1.00 0.00 H new ATOM 0 HG SER A 71 4.303 -6.038 -9.821 1.00 0.00 H new ATOM 1060 N ALA A 72 4.514 -7.069 -4.887 1.00 0.00 N ATOM 1061 CA ALA A 72 5.207 -6.908 -3.607 1.00 0.00 C ATOM 1062 C ALA A 72 6.666 -6.526 -3.827 1.00 0.00 C ATOM 1063 O ALA A 72 7.211 -5.699 -3.100 1.00 0.00 O ATOM 1064 CB ALA A 72 5.114 -8.181 -2.790 1.00 0.00 C ATOM 0 H ALA A 72 4.122 -7.999 -5.033 1.00 0.00 H new ATOM 0 HA ALA A 72 4.721 -6.103 -3.056 1.00 0.00 H new ATOM 0 HB1 ALA A 72 5.634 -8.044 -1.842 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.067 -8.415 -2.599 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.574 -9.001 -3.341 1.00 0.00 H new ATOM 1070 N ASP A 73 7.273 -7.119 -4.862 1.00 0.00 N ATOM 1071 CA ASP A 73 8.664 -6.820 -5.256 1.00 0.00 C ATOM 1072 C ASP A 73 8.815 -5.348 -5.549 1.00 0.00 C ATOM 1073 O ASP A 73 9.771 -4.706 -5.113 1.00 0.00 O ATOM 1074 CB ASP A 73 9.066 -7.596 -6.520 1.00 0.00 C ATOM 1075 CG ASP A 73 9.032 -9.087 -6.360 1.00 0.00 C ATOM 1076 OD1 ASP A 73 7.960 -9.685 -6.541 1.00 0.00 O ATOM 1077 OD2 ASP A 73 10.071 -9.692 -6.082 1.00 0.00 O ATOM 0 H ASP A 73 6.820 -7.818 -5.451 1.00 0.00 H new ATOM 0 HA ASP A 73 9.306 -7.117 -4.427 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.399 -7.313 -7.334 1.00 0.00 H new ATOM 0 HB3 ASP A 73 10.072 -7.296 -6.813 1.00 0.00 H new ATOM 1082 N GLU A 74 7.837 -4.812 -6.266 1.00 0.00 N ATOM 1083 CA GLU A 74 7.836 -3.421 -6.657 1.00 0.00 C ATOM 1084 C GLU A 74 7.650 -2.546 -5.445 1.00 0.00 C ATOM 1085 O GLU A 74 8.362 -1.586 -5.275 1.00 0.00 O ATOM 1086 CB GLU A 74 6.739 -3.145 -7.681 1.00 0.00 C ATOM 1087 CG GLU A 74 6.889 -3.922 -8.973 1.00 0.00 C ATOM 1088 CD GLU A 74 5.739 -3.689 -9.910 1.00 0.00 C ATOM 1089 OE1 GLU A 74 4.660 -4.289 -9.700 1.00 0.00 O ATOM 1090 OE2 GLU A 74 5.878 -2.898 -10.871 1.00 0.00 O ATOM 0 H GLU A 74 7.024 -5.335 -6.590 1.00 0.00 H new ATOM 0 HA GLU A 74 8.797 -3.192 -7.118 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.773 -3.384 -7.236 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.730 -2.079 -7.909 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.819 -3.634 -9.463 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.963 -4.986 -8.749 1.00 0.00 H new ATOM 1097 N VAL A 75 6.711 -2.917 -4.584 1.00 0.00 N ATOM 1098 CA VAL A 75 6.436 -2.159 -3.363 1.00 0.00 C ATOM 1099 C VAL A 75 7.682 -2.102 -2.474 1.00 0.00 C ATOM 1100 O VAL A 75 8.029 -1.050 -1.959 1.00 0.00 O ATOM 1101 CB VAL A 75 5.253 -2.764 -2.551 1.00 0.00 C ATOM 1102 CG1 VAL A 75 4.982 -1.955 -1.291 1.00 0.00 C ATOM 1103 CG2 VAL A 75 3.997 -2.835 -3.394 1.00 0.00 C ATOM 0 H VAL A 75 6.123 -3.741 -4.707 1.00 0.00 H new ATOM 0 HA VAL A 75 6.156 -1.152 -3.673 1.00 0.00 H new ATOM 0 HB VAL A 75 5.540 -3.775 -2.261 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.151 -2.401 -0.744 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.872 -1.953 -0.661 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.729 -0.930 -1.564 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.186 -3.261 -2.803 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.720 -1.832 -3.720 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.179 -3.463 -4.266 1.00 0.00 H new ATOM 1113 N LYS A 76 8.365 -3.232 -2.345 1.00 0.00 N ATOM 1114 CA LYS A 76 9.573 -3.333 -1.529 1.00 0.00 C ATOM 1115 C LYS A 76 10.656 -2.431 -2.144 1.00 0.00 C ATOM 1116 O LYS A 76 11.297 -1.655 -1.444 1.00 0.00 O ATOM 1117 CB LYS A 76 10.025 -4.820 -1.479 1.00 0.00 C ATOM 1118 CG LYS A 76 10.890 -5.276 -0.268 1.00 0.00 C ATOM 1119 CD LYS A 76 12.285 -4.664 -0.215 1.00 0.00 C ATOM 1120 CE LYS A 76 13.160 -5.355 0.849 1.00 0.00 C ATOM 1121 NZ LYS A 76 12.663 -5.180 2.239 1.00 0.00 N ATOM 0 H LYS A 76 8.100 -4.105 -2.802 1.00 0.00 H new ATOM 0 HA LYS A 76 9.387 -3.001 -0.507 1.00 0.00 H new ATOM 0 HB2 LYS A 76 9.131 -5.443 -1.505 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.586 -5.030 -2.389 1.00 0.00 H new ATOM 0 HG2 LYS A 76 10.363 -5.025 0.652 1.00 0.00 H new ATOM 0 HG3 LYS A 76 10.985 -6.362 -0.295 1.00 0.00 H new ATOM 0 HD2 LYS A 76 12.760 -4.751 -1.192 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.209 -3.600 0.009 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.216 -6.420 0.624 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.174 -4.962 0.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.433 -5.376 2.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.331 -4.203 2.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.877 -5.839 2.412 1.00 0.00 H new ATOM 1135 N ALA A 77 10.793 -2.501 -3.461 1.00 0.00 N ATOM 1136 CA ALA A 77 11.780 -1.713 -4.193 1.00 0.00 C ATOM 1137 C ALA A 77 11.463 -0.206 -4.153 1.00 0.00 C ATOM 1138 O ALA A 77 12.367 0.631 -4.129 1.00 0.00 O ATOM 1139 CB ALA A 77 11.873 -2.194 -5.626 1.00 0.00 C ATOM 0 H ALA A 77 10.224 -3.105 -4.054 1.00 0.00 H new ATOM 0 HA ALA A 77 12.743 -1.855 -3.702 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.612 -1.599 -6.162 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.172 -3.242 -5.639 1.00 0.00 H new ATOM 0 HB3 ALA A 77 10.902 -2.088 -6.109 1.00 0.00 H new ATOM 1145 N LYS A 78 10.195 0.141 -4.168 1.00 0.00 N ATOM 1146 CA LYS A 78 9.798 1.540 -4.067 1.00 0.00 C ATOM 1147 C LYS A 78 9.971 2.004 -2.629 1.00 0.00 C ATOM 1148 O LYS A 78 10.359 3.139 -2.387 1.00 0.00 O ATOM 1149 CB LYS A 78 8.331 1.756 -4.475 1.00 0.00 C ATOM 1150 CG LYS A 78 7.929 1.343 -5.884 1.00 0.00 C ATOM 1151 CD LYS A 78 8.574 2.177 -6.966 1.00 0.00 C ATOM 1152 CE LYS A 78 8.055 1.739 -8.329 1.00 0.00 C ATOM 1153 NZ LYS A 78 8.592 2.553 -9.430 1.00 0.00 N ATOM 0 H LYS A 78 9.420 -0.517 -4.248 1.00 0.00 H new ATOM 0 HA LYS A 78 10.430 2.112 -4.747 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.702 1.211 -3.771 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.100 2.815 -4.355 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.194 0.297 -6.037 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.846 1.414 -5.979 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.355 3.232 -6.805 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.658 2.067 -6.926 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.317 0.694 -8.494 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.967 1.800 -8.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.207 2.212 -10.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.321 3.547 -9.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 9.629 2.476 -9.445 1.00 0.00 H new ATOM 1167 N LEU A 79 9.681 1.116 -1.683 1.00 0.00 N ATOM 1168 CA LEU A 79 9.787 1.432 -0.267 1.00 0.00 C ATOM 1169 C LEU A 79 11.217 1.777 0.070 1.00 0.00 C ATOM 1170 O LEU A 79 11.493 2.826 0.616 1.00 0.00 O ATOM 1171 CB LEU A 79 9.373 0.250 0.624 1.00 0.00 C ATOM 1172 CG LEU A 79 9.234 0.550 2.123 1.00 0.00 C ATOM 1173 CD1 LEU A 79 7.921 1.263 2.453 1.00 0.00 C ATOM 1174 CD2 LEU A 79 9.404 -0.704 2.949 1.00 0.00 C ATOM 0 H LEU A 79 9.368 0.165 -1.877 1.00 0.00 H new ATOM 0 HA LEU A 79 9.117 2.271 -0.078 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.420 -0.135 0.262 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.107 -0.546 0.500 1.00 0.00 H new ATOM 0 HG LEU A 79 10.038 1.237 2.386 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.870 1.453 3.525 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.875 2.209 1.914 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.081 0.635 2.155 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.300 -0.460 4.006 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.642 -1.431 2.668 1.00 0.00 H new ATOM 0 HD23 LEU A 79 10.392 -1.127 2.769 1.00 0.00 H new ATOM 1186 N VAL A 80 12.119 0.898 -0.304 1.00 0.00 N ATOM 1187 CA VAL A 80 13.519 1.041 0.036 1.00 0.00 C ATOM 1188 C VAL A 80 14.161 2.292 -0.541 1.00 0.00 C ATOM 1189 O VAL A 80 14.985 2.917 0.119 1.00 0.00 O ATOM 1190 CB VAL A 80 14.340 -0.208 -0.304 1.00 0.00 C ATOM 1191 CG1 VAL A 80 13.849 -1.396 0.488 1.00 0.00 C ATOM 1192 CG2 VAL A 80 14.335 -0.503 -1.783 1.00 0.00 C ATOM 0 H VAL A 80 11.905 0.065 -0.852 1.00 0.00 H new ATOM 0 HA VAL A 80 13.531 1.158 1.120 1.00 0.00 H new ATOM 0 HB VAL A 80 15.374 -0.007 -0.024 1.00 0.00 H new ATOM 0 HG11 VAL A 80 14.443 -2.274 0.234 1.00 0.00 H new ATOM 0 HG12 VAL A 80 13.946 -1.188 1.554 1.00 0.00 H new ATOM 0 HG13 VAL A 80 12.802 -1.585 0.249 1.00 0.00 H new ATOM 0 HG21 VAL A 80 14.929 -1.396 -1.978 1.00 0.00 H new ATOM 0 HG22 VAL A 80 13.311 -0.668 -2.118 1.00 0.00 H new ATOM 0 HG23 VAL A 80 14.762 0.342 -2.324 1.00 0.00 H new ATOM 1202 N LYS A 81 13.760 2.687 -1.735 1.00 0.00 N ATOM 1203 CA LYS A 81 14.320 3.881 -2.332 1.00 0.00 C ATOM 1204 C LYS A 81 13.801 5.132 -1.652 1.00 0.00 C ATOM 1205 O LYS A 81 14.524 6.115 -1.512 1.00 0.00 O ATOM 1206 CB LYS A 81 14.088 3.958 -3.844 1.00 0.00 C ATOM 1207 CG LYS A 81 12.644 3.886 -4.278 1.00 0.00 C ATOM 1208 CD LYS A 81 12.466 4.286 -5.735 1.00 0.00 C ATOM 1209 CE LYS A 81 13.409 3.542 -6.669 1.00 0.00 C ATOM 1210 NZ LYS A 81 13.241 2.074 -6.619 1.00 0.00 N ATOM 0 H LYS A 81 13.060 2.207 -2.301 1.00 0.00 H new ATOM 0 HA LYS A 81 15.397 3.819 -2.178 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.516 4.890 -4.214 1.00 0.00 H new ATOM 0 HB3 LYS A 81 14.635 3.145 -4.321 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.272 2.872 -4.132 1.00 0.00 H new ATOM 0 HG3 LYS A 81 12.043 4.540 -3.646 1.00 0.00 H new ATOM 0 HD2 LYS A 81 11.436 4.094 -6.037 1.00 0.00 H new ATOM 0 HD3 LYS A 81 12.633 5.358 -5.836 1.00 0.00 H new ATOM 0 HE2 LYS A 81 13.244 3.885 -7.690 1.00 0.00 H new ATOM 0 HE3 LYS A 81 14.438 3.792 -6.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 14.016 1.618 -7.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 13.257 1.756 -5.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 12.332 1.814 -7.051 1.00 0.00 H new ATOM 1224 N ILE A 82 12.558 5.099 -1.208 1.00 0.00 N ATOM 1225 CA ILE A 82 12.006 6.256 -0.567 1.00 0.00 C ATOM 1226 C ILE A 82 12.387 6.298 0.915 1.00 0.00 C ATOM 1227 O ILE A 82 12.549 7.369 1.484 1.00 0.00 O ATOM 1228 CB ILE A 82 10.456 6.455 -0.848 1.00 0.00 C ATOM 1229 CG1 ILE A 82 9.545 5.335 -0.269 1.00 0.00 C ATOM 1230 CG2 ILE A 82 10.213 6.572 -2.354 1.00 0.00 C ATOM 1231 CD1 ILE A 82 9.240 5.436 1.216 1.00 0.00 C ATOM 0 H ILE A 82 11.931 4.298 -1.281 1.00 0.00 H new ATOM 0 HA ILE A 82 12.464 7.132 -1.027 1.00 0.00 H new ATOM 0 HB ILE A 82 10.179 7.373 -0.329 1.00 0.00 H new ATOM 0 HG12 ILE A 82 8.602 5.340 -0.816 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.019 4.372 -0.459 1.00 0.00 H new ATOM 0 HG21 ILE A 82 9.148 6.708 -2.541 1.00 0.00 H new ATOM 0 HG22 ILE A 82 10.763 7.428 -2.746 1.00 0.00 H new ATOM 0 HG23 ILE A 82 10.555 5.663 -2.849 1.00 0.00 H new ATOM 0 HD11 ILE A 82 8.598 4.606 1.513 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.171 5.396 1.782 1.00 0.00 H new ATOM 0 HD13 ILE A 82 8.732 6.379 1.420 1.00 0.00 H new ATOM 1243 N ALA A 83 12.574 5.132 1.513 1.00 0.00 N ATOM 1244 CA ALA A 83 12.970 5.029 2.909 1.00 0.00 C ATOM 1245 C ALA A 83 14.464 5.289 3.063 1.00 0.00 C ATOM 1246 O ALA A 83 14.889 5.956 3.990 1.00 0.00 O ATOM 1247 CB ALA A 83 12.594 3.666 3.477 1.00 0.00 C ATOM 0 H ALA A 83 12.456 4.233 1.046 1.00 0.00 H new ATOM 0 HA ALA A 83 12.433 5.790 3.475 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.899 3.610 4.522 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.515 3.527 3.406 1.00 0.00 H new ATOM 0 HB3 ALA A 83 13.098 2.884 2.910 1.00 0.00 H new