USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 415 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 16 THR OG1 : rot 180:sc=0.000827 USER MOD Single : A 17 GLN : amide:sc= 0.371 K(o=0.37,f=-0.2) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 110:sc= 1.18 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 62:sc= 1.3 USER MOD Single : A 34 GLN : amide:sc= -0.717 K(o=-0.72,f=-2.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.263 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -90:sc= 1.25 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 99:sc= 0.0242 USER MOD Single : A 62 THR OG1 : rot 101:sc= 1.21 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -87:sc= 0.00864 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 70 GLN : amide:sc= -0.0466 K(o=-0.047,f=-0.69) USER MOD Single : A 73 SER OG : rot 110:sc= 0.85 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 35 N LEU A 15 100.608 7.888 19.261 1.00 0.00 N ATOM 36 CA LEU A 15 99.601 8.532 18.422 1.00 0.00 C ATOM 37 C LEU A 15 99.659 8.003 16.992 1.00 0.00 C ATOM 38 O LEU A 15 98.633 7.883 16.322 1.00 0.00 O ATOM 39 CB LEU A 15 99.798 10.048 18.426 1.00 0.00 C ATOM 40 CG LEU A 15 101.144 10.529 17.876 1.00 0.00 C ATOM 41 CD1 LEU A 15 100.946 11.328 16.597 1.00 0.00 C ATOM 42 CD2 LEU A 15 101.883 11.360 18.915 1.00 0.00 C ATOM 0 HA LEU A 15 98.620 8.298 18.835 1.00 0.00 H new ATOM 0 HB2 LEU A 15 99.000 10.504 17.840 1.00 0.00 H new ATOM 0 HB3 LEU A 15 99.690 10.410 19.448 1.00 0.00 H new ATOM 0 HG LEU A 15 101.750 9.653 17.644 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.914 11.661 16.222 1.00 0.00 H new ATOM 0 HD12 LEU A 15 100.463 10.701 15.848 1.00 0.00 H new ATOM 0 HD13 LEU A 15 100.319 12.196 16.803 1.00 0.00 H new ATOM 0 HD21 LEU A 15 102.837 11.692 18.504 1.00 0.00 H new ATOM 0 HD22 LEU A 15 101.281 12.229 19.182 1.00 0.00 H new ATOM 0 HD23 LEU A 15 102.062 10.756 19.804 1.00 0.00 H new ATOM 54 N THR A 16 100.864 7.684 16.533 1.00 0.00 N ATOM 55 CA THR A 16 101.057 7.165 15.184 1.00 0.00 C ATOM 56 C THR A 16 100.445 5.774 15.037 1.00 0.00 C ATOM 57 O THR A 16 100.221 5.300 13.923 1.00 0.00 O ATOM 58 CB THR A 16 102.547 7.113 14.844 1.00 0.00 C ATOM 59 OG1 THR A 16 103.214 8.262 15.336 1.00 0.00 O ATOM 60 CG2 THR A 16 102.818 7.024 13.359 1.00 0.00 C ATOM 0 H THR A 16 101.723 7.776 17.076 1.00 0.00 H new ATOM 0 HA THR A 16 100.553 7.838 14.491 1.00 0.00 H new ATOM 0 HB THR A 16 102.921 6.206 15.320 1.00 0.00 H new ATOM 0 HG1 THR A 16 104.166 8.209 15.110 1.00 0.00 H new ATOM 0 HG21 THR A 16 103.894 6.991 13.187 1.00 0.00 H new ATOM 0 HG22 THR A 16 102.358 6.120 12.959 1.00 0.00 H new ATOM 0 HG23 THR A 16 102.398 7.897 12.859 1.00 0.00 H new ATOM 68 N GLN A 17 100.177 5.123 16.166 1.00 0.00 N ATOM 69 CA GLN A 17 99.593 3.788 16.157 1.00 0.00 C ATOM 70 C GLN A 17 98.094 3.838 15.862 1.00 0.00 C ATOM 71 O GLN A 17 97.471 2.806 15.615 1.00 0.00 O ATOM 72 CB GLN A 17 99.837 3.094 17.499 1.00 0.00 C ATOM 73 CG GLN A 17 100.304 1.654 17.365 1.00 0.00 C ATOM 74 CD GLN A 17 99.204 0.654 17.662 1.00 0.00 C ATOM 75 OE1 GLN A 17 99.203 0.007 18.710 1.00 0.00 O ATOM 76 NE2 GLN A 17 98.258 0.523 16.739 1.00 0.00 N ATOM 0 H GLN A 17 100.355 5.499 17.097 1.00 0.00 H new ATOM 0 HA GLN A 17 100.077 3.218 15.363 1.00 0.00 H new ATOM 0 HB2 GLN A 17 100.583 3.658 18.060 1.00 0.00 H new ATOM 0 HB3 GLN A 17 98.916 3.116 18.082 1.00 0.00 H new ATOM 0 HG2 GLN A 17 100.676 1.489 16.354 1.00 0.00 H new ATOM 0 HG3 GLN A 17 101.139 1.482 18.044 1.00 0.00 H new ATOM 0 HE21 GLN A 17 98.298 1.079 15.885 1.00 0.00 H new ATOM 0 HE22 GLN A 17 97.491 -0.134 16.884 1.00 0.00 H new ATOM 85 N VAL A 18 97.519 5.040 15.891 1.00 0.00 N ATOM 86 CA VAL A 18 96.091 5.215 15.629 1.00 0.00 C ATOM 87 C VAL A 18 95.845 5.708 14.206 1.00 0.00 C ATOM 88 O VAL A 18 94.877 5.308 13.559 1.00 0.00 O ATOM 89 CB VAL A 18 95.462 6.217 16.615 1.00 0.00 C ATOM 90 CG1 VAL A 18 93.950 6.245 16.458 1.00 0.00 C ATOM 91 CG2 VAL A 18 95.853 5.874 18.045 1.00 0.00 C ATOM 0 H VAL A 18 98.019 5.906 16.093 1.00 0.00 H new ATOM 0 HA VAL A 18 95.626 4.238 15.758 1.00 0.00 H new ATOM 0 HB VAL A 18 95.844 7.212 16.387 1.00 0.00 H new ATOM 0 HG11 VAL A 18 93.524 6.959 17.163 1.00 0.00 H new ATOM 0 HG12 VAL A 18 93.695 6.543 15.441 1.00 0.00 H new ATOM 0 HG13 VAL A 18 93.545 5.253 16.657 1.00 0.00 H new ATOM 0 HG21 VAL A 18 95.400 6.592 18.728 1.00 0.00 H new ATOM 0 HG22 VAL A 18 95.502 4.871 18.288 1.00 0.00 H new ATOM 0 HG23 VAL A 18 96.938 5.913 18.145 1.00 0.00 H new ATOM 101 N LYS A 19 96.731 6.574 13.724 1.00 0.00 N ATOM 102 CA LYS A 19 96.614 7.121 12.378 1.00 0.00 C ATOM 103 C LYS A 19 96.779 6.025 11.342 1.00 0.00 C ATOM 104 O LYS A 19 95.865 5.737 10.568 1.00 0.00 O ATOM 105 CB LYS A 19 97.674 8.194 12.158 1.00 0.00 C ATOM 106 CG LYS A 19 97.115 9.509 11.639 1.00 0.00 C ATOM 107 CD LYS A 19 96.376 10.269 12.729 1.00 0.00 C ATOM 108 CE LYS A 19 96.599 11.769 12.616 1.00 0.00 C ATOM 109 NZ LYS A 19 97.237 12.331 13.839 1.00 0.00 N ATOM 0 H LYS A 19 97.539 6.912 14.247 1.00 0.00 H new ATOM 0 HA LYS A 19 95.623 7.562 12.270 1.00 0.00 H new ATOM 0 HB2 LYS A 19 98.194 8.377 13.098 1.00 0.00 H new ATOM 0 HB3 LYS A 19 98.415 7.820 11.451 1.00 0.00 H new ATOM 0 HG2 LYS A 19 97.928 10.124 11.252 1.00 0.00 H new ATOM 0 HG3 LYS A 19 96.439 9.315 10.807 1.00 0.00 H new ATOM 0 HD2 LYS A 19 95.309 10.053 12.664 1.00 0.00 H new ATOM 0 HD3 LYS A 19 96.713 9.923 13.706 1.00 0.00 H new ATOM 0 HE2 LYS A 19 97.227 11.978 11.750 1.00 0.00 H new ATOM 0 HE3 LYS A 19 95.644 12.266 12.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 97.371 13.355 13.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 96.626 12.155 14.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 98.160 11.876 13.989 1.00 0.00 H new ATOM 123 N GLU A 20 97.953 5.410 11.342 1.00 0.00 N ATOM 124 CA GLU A 20 98.249 4.331 10.412 1.00 0.00 C ATOM 125 C GLU A 20 97.230 3.207 10.562 1.00 0.00 C ATOM 126 O GLU A 20 97.053 2.389 9.659 1.00 0.00 O ATOM 127 CB GLU A 20 99.662 3.794 10.647 1.00 0.00 C ATOM 128 CG GLU A 20 100.753 4.821 10.392 1.00 0.00 C ATOM 129 CD GLU A 20 101.856 4.290 9.496 1.00 0.00 C ATOM 130 OE1 GLU A 20 101.535 3.762 8.410 1.00 0.00 O ATOM 131 OE2 GLU A 20 103.039 4.401 9.880 1.00 0.00 O ATOM 0 H GLU A 20 98.717 5.641 11.977 1.00 0.00 H new ATOM 0 HA GLU A 20 98.190 4.726 9.398 1.00 0.00 H new ATOM 0 HB2 GLU A 20 99.741 3.440 11.675 1.00 0.00 H new ATOM 0 HB3 GLU A 20 99.827 2.933 10.000 1.00 0.00 H new ATOM 0 HG2 GLU A 20 100.313 5.707 9.934 1.00 0.00 H new ATOM 0 HG3 GLU A 20 101.182 5.134 11.344 1.00 0.00 H new ATOM 138 N SER A 21 96.561 3.176 11.712 1.00 0.00 N ATOM 139 CA SER A 21 95.559 2.163 11.988 1.00 0.00 C ATOM 140 C SER A 21 94.256 2.478 11.263 1.00 0.00 C ATOM 141 O SER A 21 93.764 1.678 10.468 1.00 0.00 O ATOM 142 CB SER A 21 95.325 2.096 13.491 1.00 0.00 C ATOM 143 OG SER A 21 95.443 0.768 13.973 1.00 0.00 O ATOM 0 H SER A 21 96.699 3.847 12.468 1.00 0.00 H new ATOM 0 HA SER A 21 95.916 1.198 11.628 1.00 0.00 H new ATOM 0 HB2 SER A 21 96.045 2.736 14.002 1.00 0.00 H new ATOM 0 HB3 SER A 21 94.333 2.483 13.724 1.00 0.00 H new ATOM 0 HG SER A 21 95.289 0.756 14.941 1.00 0.00 H new ATOM 149 N LEU A 22 93.701 3.653 11.544 1.00 0.00 N ATOM 150 CA LEU A 22 92.456 4.078 10.917 1.00 0.00 C ATOM 151 C LEU A 22 92.637 4.204 9.410 1.00 0.00 C ATOM 152 O LEU A 22 91.718 3.930 8.637 1.00 0.00 O ATOM 153 CB LEU A 22 91.994 5.413 11.507 1.00 0.00 C ATOM 154 CG LEU A 22 90.979 5.299 12.644 1.00 0.00 C ATOM 155 CD1 LEU A 22 90.902 6.604 13.423 1.00 0.00 C ATOM 156 CD2 LEU A 22 89.611 4.917 12.099 1.00 0.00 C ATOM 0 H LEU A 22 94.094 4.327 12.201 1.00 0.00 H new ATOM 0 HA LEU A 22 91.693 3.325 11.114 1.00 0.00 H new ATOM 0 HB2 LEU A 22 92.867 5.953 11.872 1.00 0.00 H new ATOM 0 HB3 LEU A 22 91.558 6.014 10.709 1.00 0.00 H new ATOM 0 HG LEU A 22 91.308 4.514 13.325 1.00 0.00 H new ATOM 0 HD11 LEU A 22 90.174 6.504 14.229 1.00 0.00 H new ATOM 0 HD12 LEU A 22 91.881 6.835 13.844 1.00 0.00 H new ATOM 0 HD13 LEU A 22 90.596 7.409 12.755 1.00 0.00 H new ATOM 0 HD21 LEU A 22 88.900 4.840 12.922 1.00 0.00 H new ATOM 0 HD22 LEU A 22 89.273 5.680 11.397 1.00 0.00 H new ATOM 0 HD23 LEU A 22 89.678 3.957 11.587 1.00 0.00 H new ATOM 168 N SER A 23 93.830 4.620 9.001 1.00 0.00 N ATOM 169 CA SER A 23 94.140 4.784 7.586 1.00 0.00 C ATOM 170 C SER A 23 94.269 3.431 6.900 1.00 0.00 C ATOM 171 O SER A 23 93.852 3.263 5.754 1.00 0.00 O ATOM 172 CB SER A 23 95.431 5.584 7.412 1.00 0.00 C ATOM 173 OG SER A 23 95.386 6.378 6.240 1.00 0.00 O ATOM 0 H SER A 23 94.599 4.850 9.630 1.00 0.00 H new ATOM 0 HA SER A 23 93.320 5.331 7.121 1.00 0.00 H new ATOM 0 HB2 SER A 23 95.587 6.223 8.282 1.00 0.00 H new ATOM 0 HB3 SER A 23 96.280 4.903 7.361 1.00 0.00 H new ATOM 0 HG SER A 23 96.223 6.881 6.153 1.00 0.00 H new ATOM 178 N SER A 24 94.843 2.470 7.609 1.00 0.00 N ATOM 179 CA SER A 24 95.020 1.130 7.066 1.00 0.00 C ATOM 180 C SER A 24 93.672 0.472 6.812 1.00 0.00 C ATOM 181 O SER A 24 93.513 -0.293 5.861 1.00 0.00 O ATOM 182 CB SER A 24 95.838 0.267 8.019 1.00 0.00 C ATOM 183 OG SER A 24 97.219 0.581 7.941 1.00 0.00 O ATOM 0 H SER A 24 95.193 2.592 8.559 1.00 0.00 H new ATOM 0 HA SER A 24 95.555 1.220 6.121 1.00 0.00 H new ATOM 0 HB2 SER A 24 95.486 0.415 9.040 1.00 0.00 H new ATOM 0 HB3 SER A 24 95.688 -0.786 7.780 1.00 0.00 H new ATOM 0 HG SER A 24 97.498 1.034 8.764 1.00 0.00 H new ATOM 189 N TYR A 25 92.697 0.785 7.660 1.00 0.00 N ATOM 190 CA TYR A 25 91.362 0.239 7.523 1.00 0.00 C ATOM 191 C TYR A 25 90.818 0.547 6.137 1.00 0.00 C ATOM 192 O TYR A 25 90.109 -0.259 5.535 1.00 0.00 O ATOM 193 CB TYR A 25 90.474 0.851 8.596 1.00 0.00 C ATOM 194 CG TYR A 25 89.606 -0.154 9.320 1.00 0.00 C ATOM 195 CD1 TYR A 25 88.745 -0.988 8.619 1.00 0.00 C ATOM 196 CD2 TYR A 25 89.650 -0.269 10.703 1.00 0.00 C ATOM 197 CE1 TYR A 25 87.952 -1.909 9.277 1.00 0.00 C ATOM 198 CE2 TYR A 25 88.860 -1.187 11.368 1.00 0.00 C ATOM 199 CZ TYR A 25 88.012 -2.004 10.651 1.00 0.00 C ATOM 200 OH TYR A 25 87.223 -2.920 11.309 1.00 0.00 O ATOM 0 H TYR A 25 92.813 1.418 8.451 1.00 0.00 H new ATOM 0 HA TYR A 25 91.384 -0.844 7.646 1.00 0.00 H new ATOM 0 HB2 TYR A 25 91.102 1.365 9.324 1.00 0.00 H new ATOM 0 HB3 TYR A 25 89.834 1.605 8.138 1.00 0.00 H new ATOM 0 HD1 TYR A 25 88.694 -0.916 7.543 1.00 0.00 H new ATOM 0 HD2 TYR A 25 90.313 0.370 11.268 1.00 0.00 H new ATOM 0 HE1 TYR A 25 87.288 -2.551 8.717 1.00 0.00 H new ATOM 0 HE2 TYR A 25 88.907 -1.264 12.444 1.00 0.00 H new ATOM 0 HH TYR A 25 87.386 -2.859 12.273 1.00 0.00 H new ATOM 210 N TRP A 26 91.177 1.722 5.637 1.00 0.00 N ATOM 211 CA TRP A 26 90.754 2.163 4.316 1.00 0.00 C ATOM 212 C TRP A 26 91.862 1.941 3.291 1.00 0.00 C ATOM 213 O TRP A 26 91.608 1.921 2.086 1.00 0.00 O ATOM 214 CB TRP A 26 90.369 3.644 4.352 1.00 0.00 C ATOM 215 CG TRP A 26 88.892 3.871 4.276 1.00 0.00 C ATOM 216 CD1 TRP A 26 88.139 3.992 3.143 1.00 0.00 C ATOM 217 CD2 TRP A 26 87.986 3.998 5.377 1.00 0.00 C ATOM 218 NE1 TRP A 26 86.819 4.185 3.473 1.00 0.00 N ATOM 219 CE2 TRP A 26 86.700 4.193 4.838 1.00 0.00 C ATOM 220 CE3 TRP A 26 88.137 3.964 6.766 1.00 0.00 C ATOM 221 CZ2 TRP A 26 85.572 4.353 5.641 1.00 0.00 C ATOM 222 CZ3 TRP A 26 87.017 4.122 7.561 1.00 0.00 C ATOM 223 CH2 TRP A 26 85.750 4.314 6.997 1.00 0.00 C ATOM 0 H TRP A 26 91.766 2.392 6.132 1.00 0.00 H new ATOM 0 HA TRP A 26 89.885 1.574 4.022 1.00 0.00 H new ATOM 0 HB2 TRP A 26 90.752 4.090 5.270 1.00 0.00 H new ATOM 0 HB3 TRP A 26 90.852 4.159 3.522 1.00 0.00 H new ATOM 0 HD1 TRP A 26 88.524 3.943 2.135 1.00 0.00 H new ATOM 0 HE1 TRP A 26 86.053 4.303 2.810 1.00 0.00 H new ATOM 0 HE3 TRP A 26 89.110 3.817 7.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 84.594 4.502 5.209 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 87.121 4.097 8.636 1.00 0.00 H new ATOM 0 HH2 TRP A 26 84.895 4.434 7.646 1.00 0.00 H new ATOM 234 N GLU A 27 93.092 1.772 3.774 1.00 0.00 N ATOM 235 CA GLU A 27 94.233 1.557 2.887 1.00 0.00 C ATOM 236 C GLU A 27 94.042 0.302 2.043 1.00 0.00 C ATOM 237 O GLU A 27 94.488 0.244 0.896 1.00 0.00 O ATOM 238 CB GLU A 27 95.526 1.448 3.696 1.00 0.00 C ATOM 239 CG GLU A 27 96.782 1.506 2.842 1.00 0.00 C ATOM 240 CD GLU A 27 98.043 1.249 3.643 1.00 0.00 C ATOM 241 OE1 GLU A 27 98.174 0.142 4.206 1.00 0.00 O ATOM 242 OE2 GLU A 27 98.901 2.155 3.707 1.00 0.00 O ATOM 0 H GLU A 27 93.323 1.780 4.768 1.00 0.00 H new ATOM 0 HA GLU A 27 94.303 2.415 2.218 1.00 0.00 H new ATOM 0 HB2 GLU A 27 95.556 2.255 4.428 1.00 0.00 H new ATOM 0 HB3 GLU A 27 95.518 0.512 4.254 1.00 0.00 H new ATOM 0 HG2 GLU A 27 96.707 0.769 2.042 1.00 0.00 H new ATOM 0 HG3 GLU A 27 96.850 2.485 2.368 1.00 0.00 H new ATOM 249 N SER A 28 93.375 -0.697 2.610 1.00 0.00 N ATOM 250 CA SER A 28 93.130 -1.943 1.898 1.00 0.00 C ATOM 251 C SER A 28 92.201 -1.703 0.717 1.00 0.00 C ATOM 252 O SER A 28 92.433 -2.206 -0.382 1.00 0.00 O ATOM 253 CB SER A 28 92.543 -2.992 2.843 1.00 0.00 C ATOM 254 OG SER A 28 91.429 -3.652 2.264 1.00 0.00 O ATOM 0 H SER A 28 92.996 -0.668 3.557 1.00 0.00 H new ATOM 0 HA SER A 28 94.080 -2.319 1.518 1.00 0.00 H new ATOM 0 HB2 SER A 28 93.310 -3.725 3.095 1.00 0.00 H new ATOM 0 HB3 SER A 28 92.240 -2.514 3.775 1.00 0.00 H new ATOM 0 HG SER A 28 91.079 -4.317 2.893 1.00 0.00 H new ATOM 260 N ALA A 29 91.158 -0.913 0.944 1.00 0.00 N ATOM 261 CA ALA A 29 90.217 -0.591 -0.115 1.00 0.00 C ATOM 262 C ALA A 29 90.933 0.186 -1.206 1.00 0.00 C ATOM 263 O ALA A 29 90.647 0.030 -2.393 1.00 0.00 O ATOM 264 CB ALA A 29 89.043 0.205 0.436 1.00 0.00 C ATOM 0 H ALA A 29 90.946 -0.488 1.846 1.00 0.00 H new ATOM 0 HA ALA A 29 89.822 -1.515 -0.538 1.00 0.00 H new ATOM 0 HB1 ALA A 29 88.349 0.437 -0.372 1.00 0.00 H new ATOM 0 HB2 ALA A 29 88.530 -0.383 1.197 1.00 0.00 H new ATOM 0 HB3 ALA A 29 89.408 1.132 0.878 1.00 0.00 H new ATOM 270 N LYS A 30 91.893 1.004 -0.785 1.00 0.00 N ATOM 271 CA LYS A 30 92.687 1.798 -1.711 1.00 0.00 C ATOM 272 C LYS A 30 93.744 0.926 -2.380 1.00 0.00 C ATOM 273 O LYS A 30 94.227 1.243 -3.466 1.00 0.00 O ATOM 274 CB LYS A 30 93.355 2.961 -0.976 1.00 0.00 C ATOM 275 CG LYS A 30 93.343 4.263 -1.760 1.00 0.00 C ATOM 276 CD LYS A 30 94.502 5.163 -1.365 1.00 0.00 C ATOM 277 CE LYS A 30 94.529 6.436 -2.194 1.00 0.00 C ATOM 278 NZ LYS A 30 94.129 7.628 -1.395 1.00 0.00 N ATOM 0 H LYS A 30 92.139 1.133 0.196 1.00 0.00 H new ATOM 0 HA LYS A 30 92.026 2.202 -2.478 1.00 0.00 H new ATOM 0 HB2 LYS A 30 92.850 3.116 -0.023 1.00 0.00 H new ATOM 0 HB3 LYS A 30 94.387 2.692 -0.750 1.00 0.00 H new ATOM 0 HG2 LYS A 30 93.396 4.047 -2.827 1.00 0.00 H new ATOM 0 HG3 LYS A 30 92.401 4.784 -1.587 1.00 0.00 H new ATOM 0 HD2 LYS A 30 94.422 5.418 -0.308 1.00 0.00 H new ATOM 0 HD3 LYS A 30 95.441 4.625 -1.493 1.00 0.00 H new ATOM 0 HE2 LYS A 30 95.531 6.587 -2.594 1.00 0.00 H new ATOM 0 HE3 LYS A 30 93.858 6.328 -3.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 94.160 8.476 -1.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 93.163 7.495 -1.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 94.784 7.746 -0.596 1.00 0.00 H new ATOM 292 N THR A 31 94.095 -0.181 -1.724 1.00 0.00 N ATOM 293 CA THR A 31 95.088 -1.098 -2.256 1.00 0.00 C ATOM 294 C THR A 31 94.543 -1.825 -3.481 1.00 0.00 C ATOM 295 O THR A 31 95.139 -1.778 -4.557 1.00 0.00 O ATOM 296 CB THR A 31 95.488 -2.108 -1.182 1.00 0.00 C ATOM 297 OG1 THR A 31 96.227 -1.478 -0.152 1.00 0.00 O ATOM 298 CG2 THR A 31 96.322 -3.250 -1.712 1.00 0.00 C ATOM 0 H THR A 31 93.703 -0.459 -0.824 1.00 0.00 H new ATOM 0 HA THR A 31 95.967 -0.527 -2.556 1.00 0.00 H new ATOM 0 HB THR A 31 94.549 -2.513 -0.805 1.00 0.00 H new ATOM 0 HG1 THR A 31 95.672 -0.793 0.277 1.00 0.00 H new ATOM 0 HG21 THR A 31 96.570 -3.929 -0.896 1.00 0.00 H new ATOM 0 HG22 THR A 31 95.759 -3.789 -2.474 1.00 0.00 H new ATOM 0 HG23 THR A 31 97.240 -2.858 -2.149 1.00 0.00 H new ATOM 306 N ALA A 32 93.403 -2.490 -3.312 1.00 0.00 N ATOM 307 CA ALA A 32 92.779 -3.216 -4.409 1.00 0.00 C ATOM 308 C ALA A 32 92.501 -2.275 -5.572 1.00 0.00 C ATOM 309 O ALA A 32 92.417 -2.696 -6.726 1.00 0.00 O ATOM 310 CB ALA A 32 91.495 -3.886 -3.944 1.00 0.00 C ATOM 0 H ALA A 32 92.896 -2.540 -2.428 1.00 0.00 H new ATOM 0 HA ALA A 32 93.465 -3.992 -4.747 1.00 0.00 H new ATOM 0 HB1 ALA A 32 91.043 -4.424 -4.777 1.00 0.00 H new ATOM 0 HB2 ALA A 32 91.721 -4.586 -3.140 1.00 0.00 H new ATOM 0 HB3 ALA A 32 90.800 -3.129 -3.581 1.00 0.00 H new ATOM 316 N ALA A 33 92.380 -0.992 -5.255 1.00 0.00 N ATOM 317 CA ALA A 33 92.133 0.025 -6.264 1.00 0.00 C ATOM 318 C ALA A 33 93.446 0.465 -6.894 1.00 0.00 C ATOM 319 O ALA A 33 93.516 0.731 -8.093 1.00 0.00 O ATOM 320 CB ALA A 33 91.410 1.215 -5.650 1.00 0.00 C ATOM 0 H ALA A 33 92.450 -0.632 -4.303 1.00 0.00 H new ATOM 0 HA ALA A 33 91.498 -0.398 -7.042 1.00 0.00 H new ATOM 0 HB1 ALA A 33 91.232 1.968 -6.418 1.00 0.00 H new ATOM 0 HB2 ALA A 33 90.457 0.887 -5.235 1.00 0.00 H new ATOM 0 HB3 ALA A 33 92.023 1.643 -4.857 1.00 0.00 H new ATOM 326 N GLN A 34 94.491 0.530 -6.073 1.00 0.00 N ATOM 327 CA GLN A 34 95.813 0.932 -6.540 1.00 0.00 C ATOM 328 C GLN A 34 96.354 -0.070 -7.553 1.00 0.00 C ATOM 329 O GLN A 34 97.096 0.290 -8.465 1.00 0.00 O ATOM 330 CB GLN A 34 96.777 1.040 -5.358 1.00 0.00 C ATOM 331 CG GLN A 34 96.902 2.448 -4.798 1.00 0.00 C ATOM 332 CD GLN A 34 97.416 2.464 -3.372 1.00 0.00 C ATOM 333 OE1 GLN A 34 96.865 3.150 -2.510 1.00 0.00 O ATOM 334 NE2 GLN A 34 98.479 1.710 -3.115 1.00 0.00 N ATOM 0 H GLN A 34 94.446 0.309 -5.078 1.00 0.00 H new ATOM 0 HA GLN A 34 95.724 1.905 -7.023 1.00 0.00 H new ATOM 0 HB2 GLN A 34 96.442 0.372 -4.565 1.00 0.00 H new ATOM 0 HB3 GLN A 34 97.762 0.694 -5.671 1.00 0.00 H new ATOM 0 HG2 GLN A 34 97.575 3.028 -5.430 1.00 0.00 H new ATOM 0 HG3 GLN A 34 95.929 2.938 -4.835 1.00 0.00 H new ATOM 0 HE21 GLN A 34 98.904 1.157 -3.859 1.00 0.00 H new ATOM 0 HE22 GLN A 34 98.870 1.684 -2.173 1.00 0.00 H new ATOM 528 N ASP A 46 106.801 -4.634 -12.464 1.00 0.00 N ATOM 529 CA ASP A 46 106.780 -5.546 -11.327 1.00 0.00 C ATOM 530 C ASP A 46 105.872 -6.742 -11.596 1.00 0.00 C ATOM 531 O ASP A 46 105.683 -7.594 -10.728 1.00 0.00 O ATOM 532 CB ASP A 46 106.310 -4.820 -10.072 1.00 0.00 C ATOM 533 CG ASP A 46 107.166 -3.615 -9.739 1.00 0.00 C ATOM 534 OD1 ASP A 46 108.309 -3.809 -9.273 1.00 0.00 O ATOM 535 OD2 ASP A 46 106.695 -2.477 -9.943 1.00 0.00 O ATOM 0 HA ASP A 46 107.796 -5.909 -11.175 1.00 0.00 H new ATOM 0 HB2 ASP A 46 105.277 -4.500 -10.207 1.00 0.00 H new ATOM 0 HB3 ASP A 46 106.322 -5.513 -9.230 1.00 0.00 H new ATOM 540 N GLU A 47 105.313 -6.804 -12.801 1.00 0.00 N ATOM 541 CA GLU A 47 104.428 -7.897 -13.182 1.00 0.00 C ATOM 542 C GLU A 47 105.227 -9.153 -13.514 1.00 0.00 C ATOM 543 O GLU A 47 104.983 -9.805 -14.530 1.00 0.00 O ATOM 544 CB GLU A 47 103.600 -7.486 -14.398 1.00 0.00 C ATOM 545 CG GLU A 47 102.422 -6.584 -14.062 1.00 0.00 C ATOM 546 CD GLU A 47 101.239 -6.804 -14.984 1.00 0.00 C ATOM 547 OE1 GLU A 47 100.661 -7.910 -14.957 1.00 0.00 O ATOM 548 OE2 GLU A 47 100.889 -5.868 -15.735 1.00 0.00 O ATOM 0 H GLU A 47 105.459 -6.107 -13.532 1.00 0.00 H new ATOM 0 HA GLU A 47 103.770 -8.116 -12.341 1.00 0.00 H new ATOM 0 HB2 GLU A 47 104.247 -6.973 -15.110 1.00 0.00 H new ATOM 0 HB3 GLU A 47 103.229 -8.383 -14.893 1.00 0.00 H new ATOM 0 HG2 GLU A 47 102.114 -6.763 -13.032 1.00 0.00 H new ATOM 0 HG3 GLU A 47 102.737 -5.542 -14.123 1.00 0.00 H new ATOM 555 N LYS A 48 106.192 -9.489 -12.659 1.00 0.00 N ATOM 556 CA LYS A 48 107.028 -10.656 -12.871 1.00 0.00 C ATOM 557 C LYS A 48 107.568 -10.682 -14.297 1.00 0.00 C ATOM 558 O LYS A 48 107.914 -11.739 -14.824 1.00 0.00 O ATOM 559 CB LYS A 48 106.225 -11.914 -12.577 1.00 0.00 C ATOM 560 CG LYS A 48 107.057 -13.050 -12.004 1.00 0.00 C ATOM 561 CD LYS A 48 107.677 -12.670 -10.667 1.00 0.00 C ATOM 562 CE LYS A 48 107.108 -13.503 -9.529 1.00 0.00 C ATOM 563 NZ LYS A 48 107.011 -12.721 -8.264 1.00 0.00 N ATOM 0 H LYS A 48 106.410 -8.964 -11.812 1.00 0.00 H new ATOM 0 HA LYS A 48 107.881 -10.611 -12.194 1.00 0.00 H new ATOM 0 HB2 LYS A 48 105.428 -11.670 -11.875 1.00 0.00 H new ATOM 0 HB3 LYS A 48 105.748 -12.253 -13.496 1.00 0.00 H new ATOM 0 HG2 LYS A 48 106.430 -13.933 -11.878 1.00 0.00 H new ATOM 0 HG3 LYS A 48 107.845 -13.316 -12.709 1.00 0.00 H new ATOM 0 HD2 LYS A 48 108.757 -12.807 -10.714 1.00 0.00 H new ATOM 0 HD3 LYS A 48 107.498 -11.613 -10.470 1.00 0.00 H new ATOM 0 HE2 LYS A 48 106.120 -13.870 -9.806 1.00 0.00 H new ATOM 0 HE3 LYS A 48 107.739 -14.377 -9.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 106.619 -13.324 -7.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 107.958 -12.392 -7.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 106.389 -11.901 -8.410 1.00 0.00 H new ATOM 577 N LEU A 49 107.639 -9.502 -14.913 1.00 0.00 N ATOM 578 CA LEU A 49 108.135 -9.374 -16.277 1.00 0.00 C ATOM 579 C LEU A 49 109.404 -8.534 -16.297 1.00 0.00 C ATOM 580 O LEU A 49 110.324 -8.793 -17.071 1.00 0.00 O ATOM 581 CB LEU A 49 107.066 -8.733 -17.159 1.00 0.00 C ATOM 582 CG LEU A 49 106.068 -9.710 -17.784 1.00 0.00 C ATOM 583 CD1 LEU A 49 104.918 -8.955 -18.432 1.00 0.00 C ATOM 584 CD2 LEU A 49 106.762 -10.609 -18.801 1.00 0.00 C ATOM 0 H LEU A 49 107.357 -8.620 -14.485 1.00 0.00 H new ATOM 0 HA LEU A 49 108.367 -10.366 -16.665 1.00 0.00 H new ATOM 0 HB2 LEU A 49 106.514 -8.006 -16.564 1.00 0.00 H new ATOM 0 HB3 LEU A 49 107.560 -8.181 -17.959 1.00 0.00 H new ATOM 0 HG LEU A 49 105.662 -10.340 -16.993 1.00 0.00 H new ATOM 0 HD11 LEU A 49 104.218 -9.666 -18.871 1.00 0.00 H new ATOM 0 HD12 LEU A 49 104.404 -8.358 -17.678 1.00 0.00 H new ATOM 0 HD13 LEU A 49 105.306 -8.299 -19.211 1.00 0.00 H new ATOM 0 HD21 LEU A 49 106.036 -11.297 -19.234 1.00 0.00 H new ATOM 0 HD22 LEU A 49 107.198 -9.997 -19.590 1.00 0.00 H new ATOM 0 HD23 LEU A 49 107.550 -11.178 -18.306 1.00 0.00 H new ATOM 596 N ARG A 50 109.444 -7.530 -15.427 1.00 0.00 N ATOM 597 CA ARG A 50 110.601 -6.648 -15.323 1.00 0.00 C ATOM 598 C ARG A 50 111.023 -6.482 -13.864 1.00 0.00 C ATOM 599 O ARG A 50 111.852 -5.630 -13.543 1.00 0.00 O ATOM 600 CB ARG A 50 110.285 -5.282 -15.937 1.00 0.00 C ATOM 601 CG ARG A 50 111.334 -4.799 -16.924 1.00 0.00 C ATOM 602 CD ARG A 50 110.753 -3.793 -17.905 1.00 0.00 C ATOM 603 NE ARG A 50 111.791 -3.148 -18.707 1.00 0.00 N ATOM 604 CZ ARG A 50 112.574 -2.171 -18.256 1.00 0.00 C ATOM 605 NH1 ARG A 50 112.443 -1.724 -17.013 1.00 0.00 N ATOM 606 NH2 ARG A 50 113.493 -1.637 -19.051 1.00 0.00 N ATOM 0 H ARG A 50 108.686 -7.307 -14.782 1.00 0.00 H new ATOM 0 HA ARG A 50 111.426 -7.100 -15.873 1.00 0.00 H new ATOM 0 HB2 ARG A 50 109.321 -5.335 -16.442 1.00 0.00 H new ATOM 0 HB3 ARG A 50 110.186 -4.548 -15.137 1.00 0.00 H new ATOM 0 HG2 ARG A 50 112.163 -4.344 -16.382 1.00 0.00 H new ATOM 0 HG3 ARG A 50 111.740 -5.650 -17.471 1.00 0.00 H new ATOM 0 HD2 ARG A 50 110.046 -4.296 -18.564 1.00 0.00 H new ATOM 0 HD3 ARG A 50 110.194 -3.034 -17.358 1.00 0.00 H new ATOM 0 HE ARG A 50 111.923 -3.465 -19.668 1.00 0.00 H new ATOM 0 HH11 ARG A 50 111.739 -2.130 -16.397 1.00 0.00 H new ATOM 0 HH12 ARG A 50 113.047 -0.975 -16.674 1.00 0.00 H new ATOM 0 HH21 ARG A 50 113.599 -1.975 -20.007 1.00 0.00 H new ATOM 0 HH22 ARG A 50 114.093 -0.888 -18.706 1.00 0.00 H new ATOM 620 N ASP A 51 110.449 -7.300 -12.983 1.00 0.00 N ATOM 621 CA ASP A 51 110.769 -7.241 -11.563 1.00 0.00 C ATOM 622 C ASP A 51 112.249 -7.526 -11.332 1.00 0.00 C ATOM 623 O ASP A 51 112.930 -6.783 -10.625 1.00 0.00 O ATOM 624 CB ASP A 51 109.914 -8.243 -10.781 1.00 0.00 C ATOM 625 CG ASP A 51 109.024 -7.567 -9.756 1.00 0.00 C ATOM 626 OD1 ASP A 51 109.329 -6.422 -9.366 1.00 0.00 O ATOM 627 OD2 ASP A 51 108.020 -8.186 -9.343 1.00 0.00 O ATOM 0 H ASP A 51 109.760 -8.010 -13.230 1.00 0.00 H new ATOM 0 HA ASP A 51 110.549 -6.235 -11.206 1.00 0.00 H new ATOM 0 HB2 ASP A 51 109.296 -8.810 -11.477 1.00 0.00 H new ATOM 0 HB3 ASP A 51 110.565 -8.958 -10.278 1.00 0.00 H new ATOM 632 N LEU A 52 112.742 -8.603 -11.936 1.00 0.00 N ATOM 633 CA LEU A 52 114.144 -8.983 -11.800 1.00 0.00 C ATOM 634 C LEU A 52 115.051 -7.782 -12.046 1.00 0.00 C ATOM 635 O LEU A 52 116.107 -7.648 -11.427 1.00 0.00 O ATOM 636 CB LEU A 52 114.488 -10.105 -12.782 1.00 0.00 C ATOM 637 CG LEU A 52 114.098 -9.835 -14.237 1.00 0.00 C ATOM 638 CD1 LEU A 52 115.267 -9.234 -15.001 1.00 0.00 C ATOM 639 CD2 LEU A 52 113.623 -11.115 -14.909 1.00 0.00 C ATOM 0 H LEU A 52 112.191 -9.228 -12.524 1.00 0.00 H new ATOM 0 HA LEU A 52 114.304 -9.340 -10.783 1.00 0.00 H new ATOM 0 HB2 LEU A 52 115.561 -10.289 -12.738 1.00 0.00 H new ATOM 0 HB3 LEU A 52 113.994 -11.019 -12.453 1.00 0.00 H new ATOM 0 HG LEU A 52 113.278 -9.117 -14.245 1.00 0.00 H new ATOM 0 HD11 LEU A 52 114.970 -9.049 -16.033 1.00 0.00 H new ATOM 0 HD12 LEU A 52 115.562 -8.294 -14.534 1.00 0.00 H new ATOM 0 HD13 LEU A 52 116.108 -9.927 -14.984 1.00 0.00 H new ATOM 0 HD21 LEU A 52 113.350 -10.903 -15.943 1.00 0.00 H new ATOM 0 HD22 LEU A 52 114.423 -11.855 -14.889 1.00 0.00 H new ATOM 0 HD23 LEU A 52 112.755 -11.505 -14.377 1.00 0.00 H new ATOM 651 N TYR A 53 114.619 -6.905 -12.944 1.00 0.00 N ATOM 652 CA TYR A 53 115.378 -5.706 -13.275 1.00 0.00 C ATOM 653 C TYR A 53 115.379 -4.731 -12.105 1.00 0.00 C ATOM 654 O TYR A 53 116.432 -4.315 -11.625 1.00 0.00 O ATOM 655 CB TYR A 53 114.777 -5.030 -14.505 1.00 0.00 C ATOM 656 CG TYR A 53 115.811 -4.379 -15.395 1.00 0.00 C ATOM 657 CD1 TYR A 53 116.496 -5.120 -16.351 1.00 0.00 C ATOM 658 CD2 TYR A 53 116.112 -3.029 -15.270 1.00 0.00 C ATOM 659 CE1 TYR A 53 117.451 -4.533 -17.158 1.00 0.00 C ATOM 660 CE2 TYR A 53 117.067 -2.434 -16.073 1.00 0.00 C ATOM 661 CZ TYR A 53 117.733 -3.190 -17.015 1.00 0.00 C ATOM 662 OH TYR A 53 118.685 -2.602 -17.816 1.00 0.00 O ATOM 0 H TYR A 53 113.743 -7.003 -13.458 1.00 0.00 H new ATOM 0 HA TYR A 53 116.406 -5.999 -13.488 1.00 0.00 H new ATOM 0 HB2 TYR A 53 114.224 -5.770 -15.084 1.00 0.00 H new ATOM 0 HB3 TYR A 53 114.059 -4.276 -14.182 1.00 0.00 H new ATOM 0 HD1 TYR A 53 116.278 -6.172 -16.465 1.00 0.00 H new ATOM 0 HD2 TYR A 53 115.592 -2.435 -14.534 1.00 0.00 H new ATOM 0 HE1 TYR A 53 117.974 -5.122 -17.897 1.00 0.00 H new ATOM 0 HE2 TYR A 53 117.290 -1.383 -15.963 1.00 0.00 H new ATOM 0 HH TYR A 53 118.762 -1.652 -17.589 1.00 0.00 H new ATOM 672 N SER A 54 114.180 -4.375 -11.653 1.00 0.00 N ATOM 673 CA SER A 54 114.019 -3.443 -10.539 1.00 0.00 C ATOM 674 C SER A 54 114.159 -4.142 -9.189 1.00 0.00 C ATOM 675 O SER A 54 113.784 -3.591 -8.154 1.00 0.00 O ATOM 676 CB SER A 54 112.659 -2.748 -10.626 1.00 0.00 C ATOM 677 OG SER A 54 112.600 -1.628 -9.761 1.00 0.00 O ATOM 0 H SER A 54 113.302 -4.719 -12.042 1.00 0.00 H new ATOM 0 HA SER A 54 114.814 -2.701 -10.614 1.00 0.00 H new ATOM 0 HB2 SER A 54 112.476 -2.429 -11.652 1.00 0.00 H new ATOM 0 HB3 SER A 54 111.870 -3.454 -10.366 1.00 0.00 H new ATOM 0 HG SER A 54 111.721 -1.202 -9.837 1.00 0.00 H new ATOM 683 N LYS A 55 114.717 -5.345 -9.202 1.00 0.00 N ATOM 684 CA LYS A 55 114.924 -6.108 -7.975 1.00 0.00 C ATOM 685 C LYS A 55 116.414 -6.256 -7.686 1.00 0.00 C ATOM 686 O LYS A 55 116.820 -6.427 -6.537 1.00 0.00 O ATOM 687 CB LYS A 55 114.270 -7.487 -8.078 1.00 0.00 C ATOM 688 CG LYS A 55 114.062 -8.163 -6.733 1.00 0.00 C ATOM 689 CD LYS A 55 112.796 -7.667 -6.054 1.00 0.00 C ATOM 690 CE LYS A 55 111.558 -8.022 -6.861 1.00 0.00 C ATOM 691 NZ LYS A 55 110.319 -7.950 -6.038 1.00 0.00 N ATOM 0 H LYS A 55 115.035 -5.816 -10.049 1.00 0.00 H new ATOM 0 HA LYS A 55 114.458 -5.564 -7.154 1.00 0.00 H new ATOM 0 HB2 LYS A 55 113.307 -7.387 -8.578 1.00 0.00 H new ATOM 0 HB3 LYS A 55 114.889 -8.128 -8.706 1.00 0.00 H new ATOM 0 HG2 LYS A 55 114.003 -9.243 -6.872 1.00 0.00 H new ATOM 0 HG3 LYS A 55 114.921 -7.970 -6.090 1.00 0.00 H new ATOM 0 HD2 LYS A 55 112.721 -8.104 -5.058 1.00 0.00 H new ATOM 0 HD3 LYS A 55 112.850 -6.586 -5.925 1.00 0.00 H new ATOM 0 HE2 LYS A 55 111.470 -7.343 -7.709 1.00 0.00 H new ATOM 0 HE3 LYS A 55 111.666 -9.028 -7.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 109.497 -8.199 -6.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 110.391 -8.616 -5.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 110.202 -6.984 -5.671 1.00 0.00 H new ATOM 705 N SER A 56 117.226 -6.172 -8.736 1.00 0.00 N ATOM 706 CA SER A 56 118.673 -6.280 -8.595 1.00 0.00 C ATOM 707 C SER A 56 119.322 -4.904 -8.698 1.00 0.00 C ATOM 708 O SER A 56 120.385 -4.663 -8.127 1.00 0.00 O ATOM 709 CB SER A 56 119.247 -7.207 -9.668 1.00 0.00 C ATOM 710 OG SER A 56 118.702 -8.512 -9.563 1.00 0.00 O ATOM 0 H SER A 56 116.905 -6.029 -9.694 1.00 0.00 H new ATOM 0 HA SER A 56 118.890 -6.700 -7.613 1.00 0.00 H new ATOM 0 HB2 SER A 56 119.034 -6.799 -10.656 1.00 0.00 H new ATOM 0 HB3 SER A 56 120.332 -7.254 -9.570 1.00 0.00 H new ATOM 0 HG SER A 56 119.084 -9.083 -10.261 1.00 0.00 H new ATOM 716 N THR A 57 118.671 -4.006 -9.432 1.00 0.00 N ATOM 717 CA THR A 57 119.179 -2.652 -9.615 1.00 0.00 C ATOM 718 C THR A 57 118.438 -1.661 -8.722 1.00 0.00 C ATOM 719 O THR A 57 118.997 -0.640 -8.320 1.00 0.00 O ATOM 720 CB THR A 57 119.053 -2.232 -11.080 1.00 0.00 C ATOM 721 OG1 THR A 57 117.692 -2.063 -11.438 1.00 0.00 O ATOM 722 CG2 THR A 57 119.661 -3.228 -12.043 1.00 0.00 C ATOM 0 H THR A 57 117.789 -4.193 -9.910 1.00 0.00 H new ATOM 0 HA THR A 57 120.231 -2.646 -9.331 1.00 0.00 H new ATOM 0 HB THR A 57 119.602 -1.294 -11.159 1.00 0.00 H new ATOM 0 HG1 THR A 57 117.335 -2.911 -11.775 1.00 0.00 H new ATOM 0 HG21 THR A 57 119.537 -2.869 -13.065 1.00 0.00 H new ATOM 0 HG22 THR A 57 120.723 -3.343 -11.825 1.00 0.00 H new ATOM 0 HG23 THR A 57 119.162 -4.191 -11.934 1.00 0.00 H new ATOM 730 N ALA A 58 117.178 -1.962 -8.412 1.00 0.00 N ATOM 731 CA ALA A 58 116.372 -1.087 -7.566 1.00 0.00 C ATOM 732 C ALA A 58 116.490 -1.491 -6.104 1.00 0.00 C ATOM 733 O ALA A 58 116.623 -0.639 -5.224 1.00 0.00 O ATOM 734 CB ALA A 58 114.917 -1.099 -8.012 1.00 0.00 C ATOM 0 H ALA A 58 116.696 -2.802 -8.733 1.00 0.00 H new ATOM 0 HA ALA A 58 116.752 -0.071 -7.669 1.00 0.00 H new ATOM 0 HB1 ALA A 58 114.334 -0.440 -7.368 1.00 0.00 H new ATOM 0 HB2 ALA A 58 114.850 -0.752 -9.043 1.00 0.00 H new ATOM 0 HB3 ALA A 58 114.524 -2.113 -7.945 1.00 0.00 H new ATOM 740 N ALA A 59 116.455 -2.792 -5.849 1.00 0.00 N ATOM 741 CA ALA A 59 116.579 -3.295 -4.490 1.00 0.00 C ATOM 742 C ALA A 59 117.972 -3.004 -3.940 1.00 0.00 C ATOM 743 O ALA A 59 118.205 -3.091 -2.733 1.00 0.00 O ATOM 744 CB ALA A 59 116.285 -4.786 -4.443 1.00 0.00 C ATOM 0 H ALA A 59 116.342 -3.513 -6.561 1.00 0.00 H new ATOM 0 HA ALA A 59 115.848 -2.783 -3.864 1.00 0.00 H new ATOM 0 HB1 ALA A 59 116.383 -5.144 -3.418 1.00 0.00 H new ATOM 0 HB2 ALA A 59 115.270 -4.968 -4.796 1.00 0.00 H new ATOM 0 HB3 ALA A 59 116.991 -5.316 -5.082 1.00 0.00 H new ATOM 750 N MET A 60 118.894 -2.645 -4.834 1.00 0.00 N ATOM 751 CA MET A 60 120.261 -2.327 -4.441 1.00 0.00 C ATOM 752 C MET A 60 120.453 -0.817 -4.370 1.00 0.00 C ATOM 753 O MET A 60 121.218 -0.315 -3.545 1.00 0.00 O ATOM 754 CB MET A 60 121.254 -2.937 -5.433 1.00 0.00 C ATOM 755 CG MET A 60 121.513 -4.416 -5.198 1.00 0.00 C ATOM 756 SD MET A 60 123.135 -4.941 -5.785 1.00 0.00 S ATOM 757 CE MET A 60 123.757 -5.793 -4.338 1.00 0.00 C ATOM 0 H MET A 60 118.716 -2.568 -5.835 1.00 0.00 H new ATOM 0 HA MET A 60 120.446 -2.751 -3.454 1.00 0.00 H new ATOM 0 HB2 MET A 60 120.875 -2.799 -6.446 1.00 0.00 H new ATOM 0 HB3 MET A 60 122.198 -2.396 -5.369 1.00 0.00 H new ATOM 0 HG2 MET A 60 121.430 -4.630 -4.132 1.00 0.00 H new ATOM 0 HG3 MET A 60 120.743 -5.000 -5.701 1.00 0.00 H new ATOM 0 HE1 MET A 60 124.756 -6.177 -4.543 1.00 0.00 H new ATOM 0 HE2 MET A 60 123.800 -5.100 -3.498 1.00 0.00 H new ATOM 0 HE3 MET A 60 123.094 -6.622 -4.090 1.00 0.00 H new ATOM 767 N SER A 61 119.746 -0.098 -5.236 1.00 0.00 N ATOM 768 CA SER A 61 119.826 1.358 -5.272 1.00 0.00 C ATOM 769 C SER A 61 118.986 1.973 -4.154 1.00 0.00 C ATOM 770 O SER A 61 119.210 3.115 -3.753 1.00 0.00 O ATOM 771 CB SER A 61 119.354 1.883 -6.630 1.00 0.00 C ATOM 772 OG SER A 61 120.430 1.964 -7.548 1.00 0.00 O ATOM 0 H SER A 61 119.110 -0.501 -5.924 1.00 0.00 H new ATOM 0 HA SER A 61 120.867 1.646 -5.123 1.00 0.00 H new ATOM 0 HB2 SER A 61 118.581 1.226 -7.028 1.00 0.00 H new ATOM 0 HB3 SER A 61 118.903 2.868 -6.506 1.00 0.00 H new ATOM 0 HG SER A 61 120.418 1.180 -8.136 1.00 0.00 H new ATOM 778 N THR A 62 118.017 1.206 -3.654 1.00 0.00 N ATOM 779 CA THR A 62 117.146 1.676 -2.581 1.00 0.00 C ATOM 780 C THR A 62 117.824 1.550 -1.217 1.00 0.00 C ATOM 781 O THR A 62 117.226 1.867 -0.189 1.00 0.00 O ATOM 782 CB THR A 62 115.836 0.887 -2.578 1.00 0.00 C ATOM 783 OG1 THR A 62 115.197 0.970 -3.839 1.00 0.00 O ATOM 784 CG2 THR A 62 114.852 1.366 -1.532 1.00 0.00 C ATOM 0 H THR A 62 117.817 0.259 -3.975 1.00 0.00 H new ATOM 0 HA THR A 62 116.936 2.730 -2.763 1.00 0.00 H new ATOM 0 HB THR A 62 116.118 -0.140 -2.346 1.00 0.00 H new ATOM 0 HG1 THR A 62 115.366 0.148 -4.346 1.00 0.00 H new ATOM 0 HG21 THR A 62 113.945 0.764 -1.584 1.00 0.00 H new ATOM 0 HG22 THR A 62 115.297 1.268 -0.542 1.00 0.00 H new ATOM 0 HG23 THR A 62 114.605 2.412 -1.716 1.00 0.00 H new ATOM 792 N TYR A 63 119.075 1.094 -1.208 1.00 0.00 N ATOM 793 CA TYR A 63 119.822 0.936 0.025 1.00 0.00 C ATOM 794 C TYR A 63 120.154 2.292 0.625 1.00 0.00 C ATOM 795 O TYR A 63 120.268 2.437 1.842 1.00 0.00 O ATOM 796 CB TYR A 63 121.100 0.169 -0.264 1.00 0.00 C ATOM 797 CG TYR A 63 121.303 -1.038 0.622 1.00 0.00 C ATOM 798 CD1 TYR A 63 121.668 -0.894 1.954 1.00 0.00 C ATOM 799 CD2 TYR A 63 121.128 -2.326 0.127 1.00 0.00 C ATOM 800 CE1 TYR A 63 121.852 -1.995 2.768 1.00 0.00 C ATOM 801 CE2 TYR A 63 121.309 -3.432 0.934 1.00 0.00 C ATOM 802 CZ TYR A 63 121.671 -3.261 2.254 1.00 0.00 C ATOM 803 OH TYR A 63 121.853 -4.359 3.062 1.00 0.00 O ATOM 0 H TYR A 63 119.589 0.828 -2.048 1.00 0.00 H new ATOM 0 HA TYR A 63 119.216 0.384 0.743 1.00 0.00 H new ATOM 0 HB2 TYR A 63 121.091 -0.154 -1.305 1.00 0.00 H new ATOM 0 HB3 TYR A 63 121.950 0.841 -0.146 1.00 0.00 H new ATOM 0 HD1 TYR A 63 121.811 0.096 2.361 1.00 0.00 H new ATOM 0 HD2 TYR A 63 120.846 -2.464 -0.906 1.00 0.00 H new ATOM 0 HE1 TYR A 63 122.136 -1.864 3.802 1.00 0.00 H new ATOM 0 HE2 TYR A 63 121.168 -4.425 0.534 1.00 0.00 H new ATOM 0 HH TYR A 63 121.685 -5.176 2.547 1.00 0.00 H new ATOM 813 N THR A 64 120.296 3.288 -0.243 1.00 0.00 N ATOM 814 CA THR A 64 120.599 4.646 0.195 1.00 0.00 C ATOM 815 C THR A 64 119.606 5.081 1.260 1.00 0.00 C ATOM 816 O THR A 64 119.906 5.922 2.109 1.00 0.00 O ATOM 817 CB THR A 64 120.558 5.613 -0.989 1.00 0.00 C ATOM 818 OG1 THR A 64 119.270 5.632 -1.577 1.00 0.00 O ATOM 819 CG2 THR A 64 121.553 5.271 -2.076 1.00 0.00 C ATOM 0 H THR A 64 120.206 3.181 -1.253 1.00 0.00 H new ATOM 0 HA THR A 64 121.604 4.660 0.618 1.00 0.00 H new ATOM 0 HB THR A 64 120.817 6.587 -0.574 1.00 0.00 H new ATOM 0 HG1 THR A 64 119.204 4.916 -2.243 1.00 0.00 H new ATOM 0 HG21 THR A 64 121.471 5.996 -2.886 1.00 0.00 H new ATOM 0 HG22 THR A 64 122.563 5.297 -1.666 1.00 0.00 H new ATOM 0 HG23 THR A 64 121.343 4.273 -2.460 1.00 0.00 H new ATOM 827 N GLY A 65 118.427 4.478 1.212 1.00 0.00 N ATOM 828 CA GLY A 65 117.393 4.779 2.179 1.00 0.00 C ATOM 829 C GLY A 65 117.482 3.877 3.393 1.00 0.00 C ATOM 830 O GLY A 65 117.030 4.239 4.479 1.00 0.00 O ATOM 0 H GLY A 65 118.167 3.780 0.515 1.00 0.00 H new ATOM 0 HA2 GLY A 65 117.479 5.820 2.492 1.00 0.00 H new ATOM 0 HA3 GLY A 65 116.414 4.666 1.713 1.00 0.00 H new ATOM 834 N ILE A 66 118.078 2.699 3.210 1.00 0.00 N ATOM 835 CA ILE A 66 118.237 1.748 4.302 1.00 0.00 C ATOM 836 C ILE A 66 119.567 1.955 5.020 1.00 0.00 C ATOM 837 O ILE A 66 119.810 1.377 6.077 1.00 0.00 O ATOM 838 CB ILE A 66 118.155 0.293 3.803 1.00 0.00 C ATOM 839 CG1 ILE A 66 117.007 0.132 2.805 1.00 0.00 C ATOM 840 CG2 ILE A 66 117.980 -0.657 4.976 1.00 0.00 C ATOM 841 CD1 ILE A 66 115.641 0.383 3.408 1.00 0.00 C ATOM 0 H ILE A 66 118.457 2.384 2.317 1.00 0.00 H new ATOM 0 HA ILE A 66 117.418 1.928 4.998 1.00 0.00 H new ATOM 0 HB ILE A 66 119.087 0.047 3.294 1.00 0.00 H new ATOM 0 HG12 ILE A 66 117.160 0.820 1.974 1.00 0.00 H new ATOM 0 HG13 ILE A 66 117.033 -0.877 2.393 1.00 0.00 H new ATOM 0 HG21 ILE A 66 117.923 -1.682 4.609 1.00 0.00 H new ATOM 0 HG22 ILE A 66 118.829 -0.560 5.652 1.00 0.00 H new ATOM 0 HG23 ILE A 66 117.062 -0.411 5.509 1.00 0.00 H new ATOM 0 HD11 ILE A 66 114.876 0.251 2.643 1.00 0.00 H new ATOM 0 HD12 ILE A 66 115.467 -0.322 4.221 1.00 0.00 H new ATOM 0 HD13 ILE A 66 115.596 1.401 3.795 1.00 0.00 H new ATOM 853 N PHE A 67 120.423 2.787 4.436 1.00 0.00 N ATOM 854 CA PHE A 67 121.725 3.080 5.006 1.00 0.00 C ATOM 855 C PHE A 67 121.590 3.850 6.315 1.00 0.00 C ATOM 856 O PHE A 67 122.239 3.529 7.311 1.00 0.00 O ATOM 857 CB PHE A 67 122.531 3.893 4.001 1.00 0.00 C ATOM 858 CG PHE A 67 123.948 3.424 3.843 1.00 0.00 C ATOM 859 CD1 PHE A 67 124.856 3.561 4.881 1.00 0.00 C ATOM 860 CD2 PHE A 67 124.372 2.843 2.659 1.00 0.00 C ATOM 861 CE1 PHE A 67 126.161 3.128 4.739 1.00 0.00 C ATOM 862 CE2 PHE A 67 125.675 2.407 2.511 1.00 0.00 C ATOM 863 CZ PHE A 67 126.571 2.550 3.554 1.00 0.00 C ATOM 0 H PHE A 67 120.232 3.273 3.560 1.00 0.00 H new ATOM 0 HA PHE A 67 122.237 2.142 5.223 1.00 0.00 H new ATOM 0 HB2 PHE A 67 122.034 3.852 3.032 1.00 0.00 H new ATOM 0 HB3 PHE A 67 122.536 4.937 4.313 1.00 0.00 H new ATOM 0 HD1 PHE A 67 124.541 4.011 5.811 1.00 0.00 H new ATOM 0 HD2 PHE A 67 123.676 2.729 1.841 1.00 0.00 H new ATOM 0 HE1 PHE A 67 126.860 3.242 5.555 1.00 0.00 H new ATOM 0 HE2 PHE A 67 125.993 1.956 1.583 1.00 0.00 H new ATOM 0 HZ PHE A 67 127.590 2.210 3.442 1.00 0.00 H new ATOM 873 N THR A 68 120.741 4.868 6.297 1.00 0.00 N ATOM 874 CA THR A 68 120.505 5.706 7.470 1.00 0.00 C ATOM 875 C THR A 68 120.203 4.870 8.712 1.00 0.00 C ATOM 876 O THR A 68 120.429 5.314 9.838 1.00 0.00 O ATOM 877 CB THR A 68 119.349 6.674 7.206 1.00 0.00 C ATOM 878 OG1 THR A 68 119.136 6.834 5.815 1.00 0.00 O ATOM 879 CG2 THR A 68 119.573 8.048 7.798 1.00 0.00 C ATOM 0 H THR A 68 120.199 5.137 5.476 1.00 0.00 H new ATOM 0 HA THR A 68 121.419 6.270 7.657 1.00 0.00 H new ATOM 0 HB THR A 68 118.481 6.226 7.689 1.00 0.00 H new ATOM 0 HG1 THR A 68 118.392 7.455 5.667 1.00 0.00 H new ATOM 0 HG21 THR A 68 118.717 8.684 7.575 1.00 0.00 H new ATOM 0 HG22 THR A 68 119.691 7.964 8.878 1.00 0.00 H new ATOM 0 HG23 THR A 68 120.473 8.487 7.368 1.00 0.00 H new ATOM 887 N ASP A 69 119.685 3.662 8.507 1.00 0.00 N ATOM 888 CA ASP A 69 119.353 2.778 9.621 1.00 0.00 C ATOM 889 C ASP A 69 120.565 2.538 10.513 1.00 0.00 C ATOM 890 O ASP A 69 120.433 2.353 11.723 1.00 0.00 O ATOM 891 CB ASP A 69 118.812 1.445 9.105 1.00 0.00 C ATOM 892 CG ASP A 69 117.336 1.511 8.763 1.00 0.00 C ATOM 893 OD1 ASP A 69 116.693 2.527 9.102 1.00 0.00 O ATOM 894 OD2 ASP A 69 116.822 0.547 8.158 1.00 0.00 O ATOM 0 H ASP A 69 119.487 3.274 7.585 1.00 0.00 H new ATOM 0 HA ASP A 69 118.581 3.268 10.215 1.00 0.00 H new ATOM 0 HB2 ASP A 69 119.374 1.147 8.220 1.00 0.00 H new ATOM 0 HB3 ASP A 69 118.973 0.675 9.859 1.00 0.00 H new ATOM 899 N GLN A 70 121.746 2.547 9.909 1.00 0.00 N ATOM 900 CA GLN A 70 122.984 2.335 10.652 1.00 0.00 C ATOM 901 C GLN A 70 123.544 3.655 11.179 1.00 0.00 C ATOM 902 O GLN A 70 124.560 3.677 11.876 1.00 0.00 O ATOM 903 CB GLN A 70 124.020 1.633 9.770 1.00 0.00 C ATOM 904 CG GLN A 70 124.640 0.407 10.420 1.00 0.00 C ATOM 905 CD GLN A 70 123.765 -0.825 10.297 1.00 0.00 C ATOM 906 OE1 GLN A 70 123.159 -1.070 9.254 1.00 0.00 O ATOM 907 NE2 GLN A 70 123.694 -1.610 11.366 1.00 0.00 N ATOM 0 H GLN A 70 121.874 2.698 8.908 1.00 0.00 H new ATOM 0 HA GLN A 70 122.759 1.698 11.508 1.00 0.00 H new ATOM 0 HB2 GLN A 70 123.547 1.338 8.833 1.00 0.00 H new ATOM 0 HB3 GLN A 70 124.811 2.340 9.519 1.00 0.00 H new ATOM 0 HG2 GLN A 70 125.608 0.208 9.961 1.00 0.00 H new ATOM 0 HG3 GLN A 70 124.824 0.613 11.474 1.00 0.00 H new ATOM 0 HE21 GLN A 70 124.213 -1.370 12.211 1.00 0.00 H new ATOM 0 HE22 GLN A 70 123.121 -2.453 11.342 1.00 0.00 H new ATOM 916 N VAL A 71 122.869 4.751 10.848 1.00 0.00 N ATOM 917 CA VAL A 71 123.283 6.078 11.286 1.00 0.00 C ATOM 918 C VAL A 71 122.460 6.523 12.486 1.00 0.00 C ATOM 919 O VAL A 71 122.984 6.656 13.590 1.00 0.00 O ATOM 920 CB VAL A 71 123.124 7.104 10.147 1.00 0.00 C ATOM 921 CG1 VAL A 71 123.568 8.490 10.597 1.00 0.00 C ATOM 922 CG2 VAL A 71 123.905 6.657 8.919 1.00 0.00 C ATOM 0 H VAL A 71 122.026 4.745 10.273 1.00 0.00 H new ATOM 0 HA VAL A 71 124.334 6.024 11.570 1.00 0.00 H new ATOM 0 HB VAL A 71 122.068 7.162 9.882 1.00 0.00 H new ATOM 0 HG11 VAL A 71 123.446 9.196 9.775 1.00 0.00 H new ATOM 0 HG12 VAL A 71 122.960 8.810 11.443 1.00 0.00 H new ATOM 0 HG13 VAL A 71 124.616 8.457 10.895 1.00 0.00 H new ATOM 0 HG21 VAL A 71 123.783 7.392 8.123 1.00 0.00 H new ATOM 0 HG22 VAL A 71 124.961 6.568 9.172 1.00 0.00 H new ATOM 0 HG23 VAL A 71 123.530 5.691 8.581 1.00 0.00 H new ATOM 932 N LEU A 72 121.165 6.736 12.272 1.00 0.00 N ATOM 933 CA LEU A 72 120.273 7.152 13.346 1.00 0.00 C ATOM 934 C LEU A 72 120.422 6.226 14.551 1.00 0.00 C ATOM 935 O LEU A 72 120.246 6.643 15.696 1.00 0.00 O ATOM 936 CB LEU A 72 118.825 7.158 12.855 1.00 0.00 C ATOM 937 CG LEU A 72 118.415 5.927 12.039 1.00 0.00 C ATOM 938 CD1 LEU A 72 117.424 5.073 12.816 1.00 0.00 C ATOM 939 CD2 LEU A 72 117.826 6.345 10.700 1.00 0.00 C ATOM 0 H LEU A 72 120.711 6.627 11.365 1.00 0.00 H new ATOM 0 HA LEU A 72 120.543 8.163 13.652 1.00 0.00 H new ATOM 0 HB2 LEU A 72 118.164 7.240 13.718 1.00 0.00 H new ATOM 0 HB3 LEU A 72 118.667 8.048 12.247 1.00 0.00 H new ATOM 0 HG LEU A 72 119.307 5.329 11.851 1.00 0.00 H new ATOM 0 HD11 LEU A 72 117.146 4.204 12.219 1.00 0.00 H new ATOM 0 HD12 LEU A 72 117.882 4.741 13.748 1.00 0.00 H new ATOM 0 HD13 LEU A 72 116.533 5.661 13.038 1.00 0.00 H new ATOM 0 HD21 LEU A 72 117.541 5.458 10.135 1.00 0.00 H new ATOM 0 HD22 LEU A 72 116.946 6.967 10.868 1.00 0.00 H new ATOM 0 HD23 LEU A 72 118.568 6.911 10.137 1.00 0.00 H new ATOM 951 N SER A 73 120.765 4.970 14.276 1.00 0.00 N ATOM 952 CA SER A 73 120.961 3.973 15.324 1.00 0.00 C ATOM 953 C SER A 73 122.226 4.260 16.120 1.00 0.00 C ATOM 954 O SER A 73 122.333 3.900 17.292 1.00 0.00 O ATOM 955 CB SER A 73 121.060 2.583 14.710 1.00 0.00 C ATOM 956 OG SER A 73 119.779 2.065 14.396 1.00 0.00 O ATOM 0 H SER A 73 120.914 4.618 13.330 1.00 0.00 H new ATOM 0 HA SER A 73 120.104 4.019 15.996 1.00 0.00 H new ATOM 0 HB2 SER A 73 121.669 2.625 13.807 1.00 0.00 H new ATOM 0 HB3 SER A 73 121.566 1.912 15.404 1.00 0.00 H new ATOM 0 HG SER A 73 119.670 2.031 13.423 1.00 0.00 H new ATOM 962 N VAL A 74 123.179 4.906 15.466 1.00 0.00 N ATOM 963 CA VAL A 74 124.448 5.245 16.091 1.00 0.00 C ATOM 964 C VAL A 74 124.481 6.711 16.497 1.00 0.00 C ATOM 965 O VAL A 74 125.280 7.111 17.344 1.00 0.00 O ATOM 966 CB VAL A 74 125.627 4.969 15.142 1.00 0.00 C ATOM 967 CG1 VAL A 74 126.956 5.168 15.861 1.00 0.00 C ATOM 968 CG2 VAL A 74 125.530 3.567 14.559 1.00 0.00 C ATOM 0 H VAL A 74 123.096 5.208 14.495 1.00 0.00 H new ATOM 0 HA VAL A 74 124.544 4.618 16.978 1.00 0.00 H new ATOM 0 HB VAL A 74 125.578 5.682 14.319 1.00 0.00 H new ATOM 0 HG11 VAL A 74 127.776 4.968 15.172 1.00 0.00 H new ATOM 0 HG12 VAL A 74 127.026 6.195 16.219 1.00 0.00 H new ATOM 0 HG13 VAL A 74 127.018 4.484 16.707 1.00 0.00 H new ATOM 0 HG21 VAL A 74 126.373 3.392 13.891 1.00 0.00 H new ATOM 0 HG22 VAL A 74 125.549 2.835 15.366 1.00 0.00 H new ATOM 0 HG23 VAL A 74 124.599 3.468 14.002 1.00 0.00 H new ATOM 978 N LEU A 75 123.617 7.512 15.883 1.00 0.00 N ATOM 979 CA LEU A 75 123.565 8.932 16.188 1.00 0.00 C ATOM 980 C LEU A 75 123.040 9.163 17.596 1.00 0.00 C ATOM 981 O LEU A 75 123.598 9.956 18.355 1.00 0.00 O ATOM 982 CB LEU A 75 122.687 9.668 15.175 1.00 0.00 C ATOM 983 CG LEU A 75 123.258 9.737 13.759 1.00 0.00 C ATOM 984 CD1 LEU A 75 122.216 10.274 12.791 1.00 0.00 C ATOM 985 CD2 LEU A 75 124.512 10.598 13.729 1.00 0.00 C ATOM 0 H LEU A 75 122.949 7.203 15.177 1.00 0.00 H new ATOM 0 HA LEU A 75 124.579 9.327 16.126 1.00 0.00 H new ATOM 0 HB2 LEU A 75 121.714 9.178 15.135 1.00 0.00 H new ATOM 0 HB3 LEU A 75 122.518 10.684 15.533 1.00 0.00 H new ATOM 0 HG LEU A 75 123.529 8.728 13.447 1.00 0.00 H new ATOM 0 HD11 LEU A 75 122.639 10.317 11.787 1.00 0.00 H new ATOM 0 HD12 LEU A 75 121.347 9.616 12.791 1.00 0.00 H new ATOM 0 HD13 LEU A 75 121.914 11.275 13.100 1.00 0.00 H new ATOM 0 HD21 LEU A 75 124.904 10.635 12.713 1.00 0.00 H new ATOM 0 HD22 LEU A 75 124.268 11.607 14.061 1.00 0.00 H new ATOM 0 HD23 LEU A 75 125.264 10.169 14.392 1.00 0.00 H new ATOM 997 N LYS A 76 121.950 8.485 17.937 1.00 0.00 N ATOM 998 CA LYS A 76 121.343 8.641 19.245 1.00 0.00 C ATOM 999 C LYS A 76 120.984 7.292 19.852 1.00 0.00 C ATOM 1000 O LYS A 76 121.565 6.865 20.851 1.00 0.00 O ATOM 1001 CB LYS A 76 120.090 9.484 19.084 1.00 0.00 C ATOM 1002 CG LYS A 76 120.226 10.898 19.628 1.00 0.00 C ATOM 1003 CD LYS A 76 119.856 11.940 18.582 1.00 0.00 C ATOM 1004 CE LYS A 76 121.076 12.406 17.802 1.00 0.00 C ATOM 1005 NZ LYS A 76 121.798 13.504 18.501 1.00 0.00 N ATOM 0 H LYS A 76 121.472 7.824 17.324 1.00 0.00 H new ATOM 0 HA LYS A 76 122.052 9.125 19.917 1.00 0.00 H new ATOM 0 HB2 LYS A 76 119.831 9.535 18.026 1.00 0.00 H new ATOM 0 HB3 LYS A 76 119.262 8.988 19.591 1.00 0.00 H new ATOM 0 HG2 LYS A 76 119.585 11.015 20.502 1.00 0.00 H new ATOM 0 HG3 LYS A 76 121.251 11.063 19.960 1.00 0.00 H new ATOM 0 HD2 LYS A 76 119.121 11.521 17.894 1.00 0.00 H new ATOM 0 HD3 LYS A 76 119.386 12.795 19.069 1.00 0.00 H new ATOM 0 HE2 LYS A 76 121.753 11.565 17.651 1.00 0.00 H new ATOM 0 HE3 LYS A 76 120.766 12.747 16.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 122.622 13.792 17.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 121.160 14.317 18.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 122.116 13.172 19.434 1.00 0.00 H new ATOM 1019 N GLY A 77 120.015 6.638 19.236 1.00 0.00 N ATOM 1020 CA GLY A 77 119.558 5.346 19.699 1.00 0.00 C ATOM 1021 C GLY A 77 118.452 4.816 18.817 1.00 0.00 C ATOM 1022 O GLY A 77 117.386 4.433 19.300 1.00 0.00 O ATOM 0 H GLY A 77 119.529 6.986 18.409 1.00 0.00 H new ATOM 0 HA2 GLY A 77 120.391 4.643 19.706 1.00 0.00 H new ATOM 0 HA3 GLY A 77 119.201 5.429 20.726 1.00 0.00 H new ATOM 1026 N GLU A 78 118.716 4.805 17.512 1.00 0.00 N ATOM 1027 CA GLU A 78 117.759 4.336 16.524 1.00 0.00 C ATOM 1028 C GLU A 78 116.719 5.407 16.228 1.00 0.00 C ATOM 1029 O GLU A 78 115.529 5.228 16.490 1.00 0.00 O ATOM 1030 CB GLU A 78 117.101 3.057 17.012 1.00 0.00 C ATOM 1031 CG GLU A 78 116.660 2.126 15.895 1.00 0.00 C ATOM 1032 CD GLU A 78 115.511 1.227 16.307 1.00 0.00 C ATOM 1033 OE1 GLU A 78 115.721 0.355 17.176 1.00 0.00 O ATOM 1034 OE2 GLU A 78 114.401 1.395 15.760 1.00 0.00 O ATOM 0 H GLU A 78 119.600 5.122 17.114 1.00 0.00 H new ATOM 0 HA GLU A 78 118.287 4.124 15.594 1.00 0.00 H new ATOM 0 HB2 GLU A 78 117.798 2.526 17.660 1.00 0.00 H new ATOM 0 HB3 GLU A 78 116.234 3.315 17.620 1.00 0.00 H new ATOM 0 HG2 GLU A 78 116.361 2.718 15.030 1.00 0.00 H new ATOM 0 HG3 GLU A 78 117.505 1.511 15.584 1.00 0.00 H new ATOM 1041 N GLU A 79 117.185 6.530 15.687 1.00 0.00 N ATOM 1042 CA GLU A 79 116.298 7.639 15.358 1.00 0.00 C ATOM 1043 C GLU A 79 115.702 7.468 13.963 1.00 0.00 C ATOM 1044 O GLU A 79 114.704 6.728 13.835 1.00 0.00 O ATOM 1045 CB GLU A 79 117.051 8.969 15.446 1.00 0.00 C ATOM 1046 CG GLU A 79 116.184 10.181 15.146 1.00 0.00 C ATOM 1047 CD GLU A 79 116.527 11.372 16.018 1.00 0.00 C ATOM 1048 OE1 GLU A 79 116.660 11.190 17.247 1.00 0.00 O ATOM 1049 OE2 GLU A 79 116.663 12.487 15.473 1.00 0.00 O ATOM 0 H GLU A 79 118.168 6.694 15.468 1.00 0.00 H new ATOM 0 HA GLU A 79 115.483 7.644 16.082 1.00 0.00 H new ATOM 0 HB2 GLU A 79 117.472 9.073 16.446 1.00 0.00 H new ATOM 0 HB3 GLU A 79 117.888 8.950 14.748 1.00 0.00 H new ATOM 0 HG2 GLU A 79 116.301 10.457 14.098 1.00 0.00 H new ATOM 0 HG3 GLU A 79 115.136 9.919 15.291 1.00 0.00 H new