USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 742 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 37 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 69 HIS :FLIP no HD1:sc= -3.32! C(o=-5.5!,f=-2.2!) USER MOD Set 1.3: A 87 TYR OH : rot -73:sc= 1.1 USER MOD Set 2.1: A 64 ASN :FLIP amide:sc= -0.286 F(o=-2,f=-0.56) USER MOD Set 2.2: A 68 THR OG1 : rot 180:sc= -0.273 USER MOD Set 2.3: A 70 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 60 ASN :FLIP amide:sc= -1.45 F(o=-5.1!,f=-3.1) USER MOD Set 3.2: A 72 THR OG1 : rot 180:sc= -1.66 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -159:sc= 0.0653 (180deg=-0.289) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -4.3! C(o=-4.3!,f=-4.9!) USER MOD Single : A 32 SER OG : rot 180:sc= -0.0767 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot -169:sc= 0.275 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -1.34 X(o=-1.3,f=-0.89) USER MOD Single : A 81 TYR OH : rot 151:sc= -0.765 USER MOD Single : A 82 MET CE :methyl -168:sc= -0.43 (180deg=-0.643) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot -149:sc= -0.733 USER MOD Single : A 98 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000549) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 10:sc= -0.83 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 82 N VAL A 9 1.921 20.336 4.801 1.00 0.00 N ATOM 83 CA VAL A 9 1.730 18.939 4.426 1.00 0.00 C ATOM 84 C VAL A 9 0.327 18.462 4.781 1.00 0.00 C ATOM 85 O VAL A 9 -0.185 18.756 5.862 1.00 0.00 O ATOM 86 CB VAL A 9 2.761 18.027 5.117 1.00 0.00 C ATOM 87 CG1 VAL A 9 2.390 16.564 4.930 1.00 0.00 C ATOM 88 CG2 VAL A 9 4.159 18.303 4.585 1.00 0.00 C ATOM 0 HA VAL A 9 1.868 18.879 3.347 1.00 0.00 H new ATOM 0 HB VAL A 9 2.754 18.245 6.185 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.130 15.935 5.425 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.408 16.379 5.365 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.366 16.328 3.866 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.874 17.649 5.085 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.184 18.115 3.512 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.423 19.343 4.777 1.00 0.00 H new ATOM 98 N ASP A 10 -0.291 17.726 3.864 1.00 0.00 N ATOM 99 CA ASP A 10 -1.636 17.205 4.080 1.00 0.00 C ATOM 100 C ASP A 10 -1.695 15.711 3.779 1.00 0.00 C ATOM 101 O ASP A 10 -1.865 15.290 2.635 1.00 0.00 O ATOM 102 CB ASP A 10 -2.642 17.955 3.207 1.00 0.00 C ATOM 103 CG ASP A 10 -4.034 17.968 3.807 1.00 0.00 C ATOM 104 OD1 ASP A 10 -4.320 17.101 4.660 1.00 0.00 O ATOM 105 OD2 ASP A 10 -4.838 18.842 3.424 1.00 0.00 O ATOM 0 H ASP A 10 0.118 17.477 2.964 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.894 17.356 5.128 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.301 18.981 3.065 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -2.679 17.492 2.221 1.00 0.00 H new ATOM 110 N PRO A 11 -1.552 14.889 4.830 1.00 0.00 N ATOM 111 CA PRO A 11 -1.586 13.429 4.703 1.00 0.00 C ATOM 112 C PRO A 11 -2.978 12.908 4.362 1.00 0.00 C ATOM 113 O PRO A 11 -3.180 11.705 4.203 1.00 0.00 O ATOM 114 CB PRO A 11 -1.157 12.943 6.089 1.00 0.00 C ATOM 115 CG PRO A 11 -1.524 14.054 7.011 1.00 0.00 C ATOM 116 CD PRO A 11 -1.346 15.321 6.222 1.00 0.00 C ATOM 0 HA PRO A 11 -0.946 13.075 3.895 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.668 12.019 6.360 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.087 12.738 6.123 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.552 13.951 7.357 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.888 14.053 7.896 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.068 16.083 6.517 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.354 15.749 6.367 1.00 0.00 H new ATOM 124 N SER A 12 -3.935 13.824 4.249 1.00 0.00 N ATOM 125 CA SER A 12 -5.310 13.456 3.930 1.00 0.00 C ATOM 126 C SER A 12 -5.594 13.655 2.443 1.00 0.00 C ATOM 127 O SER A 12 -6.713 13.437 1.979 1.00 0.00 O ATOM 128 CB SER A 12 -6.288 14.286 4.763 1.00 0.00 C ATOM 129 OG SER A 12 -5.967 14.222 6.142 1.00 0.00 O ATOM 0 H SER A 12 -3.784 14.825 4.373 1.00 0.00 H new ATOM 0 HA SER A 12 -5.444 12.401 4.170 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.265 15.323 4.429 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.304 13.923 4.606 1.00 0.00 H new ATOM 0 HG SER A 12 -6.606 14.762 6.652 1.00 0.00 H new ATOM 135 N LYS A 13 -4.572 14.071 1.703 1.00 0.00 N ATOM 136 CA LYS A 13 -4.709 14.298 0.269 1.00 0.00 C ATOM 137 C LYS A 13 -3.975 13.222 -0.525 1.00 0.00 C ATOM 138 O LYS A 13 -4.080 13.161 -1.750 1.00 0.00 O ATOM 139 CB LYS A 13 -4.167 15.680 -0.103 1.00 0.00 C ATOM 140 CG LYS A 13 -4.722 16.803 0.757 1.00 0.00 C ATOM 141 CD LYS A 13 -6.058 17.299 0.230 1.00 0.00 C ATOM 142 CE LYS A 13 -7.221 16.560 0.872 1.00 0.00 C ATOM 143 NZ LYS A 13 -8.534 17.145 0.485 1.00 0.00 N ATOM 0 H LYS A 13 -3.640 14.258 2.072 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.769 14.250 0.018 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.080 15.670 -0.016 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.402 15.884 -1.148 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.841 16.453 1.782 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.011 17.628 0.783 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.153 18.367 0.425 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.095 17.168 -0.851 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.191 15.511 0.578 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.116 16.590 1.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.300 16.612 0.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.574 18.139 0.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.646 17.093 -0.548 1.00 0.00 H new ATOM 157 N VAL A 14 -3.233 12.375 0.180 1.00 0.00 N ATOM 158 CA VAL A 14 -2.484 11.299 -0.459 1.00 0.00 C ATOM 159 C VAL A 14 -3.331 10.038 -0.584 1.00 0.00 C ATOM 160 O VAL A 14 -3.851 9.525 0.408 1.00 0.00 O ATOM 161 CB VAL A 14 -1.201 10.966 0.325 1.00 0.00 C ATOM 162 CG1 VAL A 14 -1.489 10.895 1.818 1.00 0.00 C ATOM 163 CG2 VAL A 14 -0.597 9.662 -0.172 1.00 0.00 C ATOM 0 H VAL A 14 -3.134 12.413 1.194 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.212 11.651 -1.454 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.477 11.763 0.157 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.570 10.659 2.355 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.873 11.856 2.161 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.231 10.119 2.009 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.309 9.442 0.393 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.315 8.853 -0.036 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.351 9.755 -1.230 1.00 0.00 H new ATOM 173 N LYS A 15 -3.468 9.542 -1.809 1.00 0.00 N ATOM 174 CA LYS A 15 -4.251 8.340 -2.066 1.00 0.00 C ATOM 175 C LYS A 15 -3.405 7.278 -2.761 1.00 0.00 C ATOM 176 O LYS A 15 -2.255 7.527 -3.124 1.00 0.00 O ATOM 177 CB LYS A 15 -5.473 8.676 -2.923 1.00 0.00 C ATOM 178 CG LYS A 15 -6.353 9.762 -2.329 1.00 0.00 C ATOM 179 CD LYS A 15 -7.424 10.209 -3.309 1.00 0.00 C ATOM 180 CE LYS A 15 -6.898 11.269 -4.264 1.00 0.00 C ATOM 181 NZ LYS A 15 -6.616 12.554 -3.567 1.00 0.00 N ATOM 0 H LYS A 15 -3.046 9.955 -2.641 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.586 7.943 -1.108 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.138 8.992 -3.911 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.068 7.773 -3.062 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.824 9.393 -1.418 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.738 10.616 -2.046 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.780 9.350 -3.878 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.279 10.604 -2.760 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.987 10.908 -4.741 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.628 11.438 -5.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.608 13.330 -4.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.354 12.732 -2.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.689 12.499 -3.098 1.00 0.00 H new ATOM 195 N ILE A 16 -3.981 6.095 -2.944 1.00 0.00 N ATOM 196 CA ILE A 16 -3.281 4.997 -3.597 1.00 0.00 C ATOM 197 C ILE A 16 -4.241 4.146 -4.422 1.00 0.00 C ATOM 198 O ILE A 16 -5.318 3.778 -3.954 1.00 0.00 O ATOM 199 CB ILE A 16 -2.564 4.097 -2.574 1.00 0.00 C ATOM 200 CG1 ILE A 16 -3.585 3.412 -1.662 1.00 0.00 C ATOM 201 CG2 ILE A 16 -1.575 4.912 -1.753 1.00 0.00 C ATOM 202 CD1 ILE A 16 -2.955 2.562 -0.581 1.00 0.00 C ATOM 0 H ILE A 16 -4.932 5.873 -2.649 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.538 5.445 -4.257 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.011 3.327 -3.113 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.212 4.172 -1.196 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.240 2.787 -2.269 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.076 4.262 -1.034 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.833 5.358 -2.415 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.107 5.701 -1.221 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.737 2.108 0.027 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.351 1.779 -1.040 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.322 3.186 0.050 1.00 0.00 H new ATOM 214 N ALA A 17 -3.842 3.836 -5.651 1.00 0.00 N ATOM 215 CA ALA A 17 -4.664 3.025 -6.540 1.00 0.00 C ATOM 216 C ALA A 17 -3.806 2.073 -7.366 1.00 0.00 C ATOM 217 O ALA A 17 -2.766 2.460 -7.896 1.00 0.00 O ATOM 218 CB ALA A 17 -5.493 3.917 -7.452 1.00 0.00 C ATOM 0 H ALA A 17 -2.954 4.135 -6.054 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.337 2.426 -5.926 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.102 3.298 -8.111 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.142 4.552 -6.848 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.830 4.541 -8.051 1.00 0.00 H new ATOM 224 N GLY A 18 -4.249 0.823 -7.469 1.00 0.00 N ATOM 225 CA GLY A 18 -3.508 -0.165 -8.232 1.00 0.00 C ATOM 226 C GLY A 18 -4.055 -1.567 -8.049 1.00 0.00 C ATOM 227 O GLY A 18 -4.907 -1.818 -7.196 1.00 0.00 O ATOM 0 H GLY A 18 -5.107 0.477 -7.038 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.539 0.099 -9.289 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.461 -0.144 -7.929 1.00 0.00 H new ATOM 231 N PRO A 19 -3.561 -2.510 -8.865 1.00 0.00 N ATOM 232 CA PRO A 19 -3.992 -3.910 -8.809 1.00 0.00 C ATOM 233 C PRO A 19 -3.513 -4.614 -7.544 1.00 0.00 C ATOM 234 O PRO A 19 -4.181 -5.510 -7.030 1.00 0.00 O ATOM 235 CB PRO A 19 -3.341 -4.531 -10.046 1.00 0.00 C ATOM 236 CG PRO A 19 -2.154 -3.674 -10.321 1.00 0.00 C ATOM 237 CD PRO A 19 -2.543 -2.282 -9.904 1.00 0.00 C ATOM 0 HA PRO A 19 -5.078 -4.002 -8.791 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.049 -5.565 -9.862 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -4.028 -4.539 -10.892 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.285 -4.020 -9.762 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.887 -3.705 -11.377 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.690 -1.726 -9.516 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.943 -1.709 -10.740 1.00 0.00 H new ATOM 245 N GLY A 20 -2.351 -4.202 -7.048 1.00 0.00 N ATOM 246 CA GLY A 20 -1.802 -4.804 -5.846 1.00 0.00 C ATOM 247 C GLY A 20 -2.719 -4.650 -4.649 1.00 0.00 C ATOM 248 O GLY A 20 -2.903 -5.588 -3.873 1.00 0.00 O ATOM 0 H GLY A 20 -1.780 -3.462 -7.456 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.619 -5.863 -6.025 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.838 -4.347 -5.622 1.00 0.00 H new ATOM 252 N LEU A 21 -3.295 -3.462 -4.497 1.00 0.00 N ATOM 253 CA LEU A 21 -4.197 -3.187 -3.384 1.00 0.00 C ATOM 254 C LEU A 21 -5.572 -3.799 -3.633 1.00 0.00 C ATOM 255 O LEU A 21 -6.322 -4.068 -2.696 1.00 0.00 O ATOM 256 CB LEU A 21 -4.329 -1.678 -3.171 1.00 0.00 C ATOM 257 CG LEU A 21 -3.031 -0.924 -2.880 1.00 0.00 C ATOM 258 CD1 LEU A 21 -3.114 0.503 -3.397 1.00 0.00 C ATOM 259 CD2 LEU A 21 -2.729 -0.937 -1.388 1.00 0.00 C ATOM 0 H LEU A 21 -3.154 -2.675 -5.130 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.776 -3.640 -2.486 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.786 -1.245 -4.061 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.018 -1.507 -2.344 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.217 -1.429 -3.399 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.181 1.023 -3.180 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.281 0.491 -4.474 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.940 1.020 -2.908 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.802 -0.396 -1.200 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.545 -0.458 -0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.624 -1.967 -1.047 1.00 0.00 H new ATOM 271 N GLY A 22 -5.895 -4.017 -4.904 1.00 0.00 N ATOM 272 CA GLY A 22 -7.179 -4.598 -5.254 1.00 0.00 C ATOM 273 C GLY A 22 -7.451 -5.891 -4.511 1.00 0.00 C ATOM 274 O GLY A 22 -6.586 -6.401 -3.800 1.00 0.00 O ATOM 0 H GLY A 22 -5.291 -3.802 -5.697 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.971 -3.882 -5.033 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.209 -4.786 -6.327 1.00 0.00 H new ATOM 278 N SER A 23 -8.658 -6.423 -4.677 1.00 0.00 N ATOM 279 CA SER A 23 -9.044 -7.662 -4.012 1.00 0.00 C ATOM 280 C SER A 23 -8.642 -8.874 -4.846 1.00 0.00 C ATOM 281 O SER A 23 -8.680 -10.010 -4.372 1.00 0.00 O ATOM 282 CB SER A 23 -10.553 -7.682 -3.759 1.00 0.00 C ATOM 283 OG SER A 23 -10.901 -6.818 -2.690 1.00 0.00 O ATOM 0 H SER A 23 -9.385 -6.016 -5.266 1.00 0.00 H new ATOM 0 HA SER A 23 -8.522 -7.710 -3.057 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.081 -7.378 -4.663 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.873 -8.698 -3.529 1.00 0.00 H new ATOM 0 HG SER A 23 -11.870 -6.847 -2.549 1.00 0.00 H new ATOM 289 N GLY A 24 -8.256 -8.625 -6.094 1.00 0.00 N ATOM 290 CA GLY A 24 -7.853 -9.705 -6.976 1.00 0.00 C ATOM 291 C GLY A 24 -6.376 -10.026 -6.860 1.00 0.00 C ATOM 292 O GLY A 24 -5.688 -10.193 -7.868 1.00 0.00 O ATOM 0 H GLY A 24 -8.215 -7.695 -6.510 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.435 -10.597 -6.743 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.083 -9.434 -8.006 1.00 0.00 H new ATOM 296 N VAL A 25 -5.886 -10.112 -5.628 1.00 0.00 N ATOM 297 CA VAL A 25 -4.480 -10.416 -5.384 1.00 0.00 C ATOM 298 C VAL A 25 -4.267 -11.912 -5.190 1.00 0.00 C ATOM 299 O VAL A 25 -5.127 -12.608 -4.650 1.00 0.00 O ATOM 300 CB VAL A 25 -3.952 -9.669 -4.145 1.00 0.00 C ATOM 301 CG1 VAL A 25 -2.532 -10.109 -3.820 1.00 0.00 C ATOM 302 CG2 VAL A 25 -4.017 -8.165 -4.362 1.00 0.00 C ATOM 0 H VAL A 25 -6.441 -9.976 -4.783 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.927 -10.084 -6.263 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.587 -9.918 -3.295 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.176 -9.570 -2.942 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.520 -11.180 -3.618 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.881 -9.892 -4.667 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.640 -7.653 -3.477 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.407 -7.895 -5.224 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.050 -7.868 -4.541 1.00 0.00 H new ATOM 312 N ARG A 26 -3.113 -12.402 -5.634 1.00 0.00 N ATOM 313 CA ARG A 26 -2.786 -13.818 -5.511 1.00 0.00 C ATOM 314 C ARG A 26 -1.505 -14.011 -4.707 1.00 0.00 C ATOM 315 O ARG A 26 -0.629 -13.147 -4.699 1.00 0.00 O ATOM 316 CB ARG A 26 -2.633 -14.451 -6.895 1.00 0.00 C ATOM 317 CG ARG A 26 -3.849 -14.261 -7.788 1.00 0.00 C ATOM 318 CD ARG A 26 -3.564 -14.702 -9.216 1.00 0.00 C ATOM 319 NE ARG A 26 -3.048 -13.607 -10.034 1.00 0.00 N ATOM 320 CZ ARG A 26 -3.823 -12.727 -10.657 1.00 0.00 C ATOM 321 NH1 ARG A 26 -5.142 -12.811 -10.555 1.00 0.00 N ATOM 322 NH2 ARG A 26 -3.279 -11.758 -11.383 1.00 0.00 N ATOM 0 H ARG A 26 -2.390 -11.839 -6.082 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.604 -14.310 -4.984 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.760 -14.022 -7.387 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.441 -15.518 -6.779 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.687 -14.832 -7.390 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.146 -13.212 -7.782 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -2.842 -15.519 -9.206 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.478 -15.090 -9.665 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.037 -13.513 -10.132 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.564 -13.553 -9.997 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.735 -12.134 -11.035 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -2.264 -11.689 -11.463 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -3.875 -11.083 -11.861 1.00 0.00 H new ATOM 336 N ALA A 27 -1.403 -15.151 -4.031 1.00 0.00 N ATOM 337 CA ALA A 27 -0.227 -15.459 -3.224 1.00 0.00 C ATOM 338 C ALA A 27 0.984 -15.742 -4.106 1.00 0.00 C ATOM 339 O ALA A 27 0.851 -16.278 -5.207 1.00 0.00 O ATOM 340 CB ALA A 27 -0.508 -16.645 -2.313 1.00 0.00 C ATOM 0 H ALA A 27 -2.120 -15.877 -4.026 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.000 -14.588 -2.609 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.378 -16.864 -1.717 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.341 -16.406 -1.651 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.763 -17.516 -2.917 1.00 0.00 H new ATOM 346 N ARG A 28 2.164 -15.377 -3.617 1.00 0.00 N ATOM 347 CA ARG A 28 3.399 -15.591 -4.361 1.00 0.00 C ATOM 348 C ARG A 28 3.326 -14.930 -5.736 1.00 0.00 C ATOM 349 O ARG A 28 3.889 -15.434 -6.709 1.00 0.00 O ATOM 350 CB ARG A 28 3.674 -17.087 -4.517 1.00 0.00 C ATOM 351 CG ARG A 28 3.918 -17.802 -3.198 1.00 0.00 C ATOM 352 CD ARG A 28 4.845 -18.995 -3.375 1.00 0.00 C ATOM 353 NE ARG A 28 4.210 -20.077 -4.122 1.00 0.00 N ATOM 354 CZ ARG A 28 3.264 -20.862 -3.618 1.00 0.00 C ATOM 355 NH1 ARG A 28 2.846 -20.687 -2.372 1.00 0.00 N ATOM 356 NH2 ARG A 28 2.734 -21.824 -4.362 1.00 0.00 N ATOM 0 H ARG A 28 2.291 -14.931 -2.708 1.00 0.00 H new ATOM 0 HA ARG A 28 4.215 -15.136 -3.800 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.828 -17.553 -5.022 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.543 -17.223 -5.161 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.352 -17.106 -2.480 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.967 -18.137 -2.783 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.749 -18.677 -3.895 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.153 -19.363 -2.396 1.00 0.00 H new ATOM 0 HE ARG A 28 4.509 -20.239 -5.084 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.251 -19.948 -1.797 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.120 -21.291 -1.988 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.053 -21.961 -5.321 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.008 -22.427 -3.975 1.00 0.00 H new ATOM 370 N VAL A 29 2.630 -13.800 -5.807 1.00 0.00 N ATOM 371 CA VAL A 29 2.484 -13.071 -7.061 1.00 0.00 C ATOM 372 C VAL A 29 2.970 -11.634 -6.920 1.00 0.00 C ATOM 373 O VAL A 29 2.794 -11.007 -5.875 1.00 0.00 O ATOM 374 CB VAL A 29 1.019 -13.061 -7.538 1.00 0.00 C ATOM 375 CG1 VAL A 29 0.867 -12.194 -8.778 1.00 0.00 C ATOM 376 CG2 VAL A 29 0.536 -14.479 -7.805 1.00 0.00 C ATOM 0 H VAL A 29 2.159 -13.370 -5.011 1.00 0.00 H new ATOM 0 HA VAL A 29 3.095 -13.588 -7.801 1.00 0.00 H new ATOM 0 HB VAL A 29 0.401 -12.634 -6.748 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.174 -12.199 -9.100 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.170 -11.173 -8.547 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.496 -12.588 -9.577 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.501 -14.453 -8.141 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.156 -14.935 -8.576 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.606 -15.066 -6.889 1.00 0.00 H new ATOM 386 N LEU A 30 3.583 -11.116 -7.980 1.00 0.00 N ATOM 387 CA LEU A 30 4.095 -9.750 -7.975 1.00 0.00 C ATOM 388 C LEU A 30 2.953 -8.739 -7.930 1.00 0.00 C ATOM 389 O LEU A 30 2.203 -8.593 -8.894 1.00 0.00 O ATOM 390 CB LEU A 30 4.959 -9.504 -9.213 1.00 0.00 C ATOM 391 CG LEU A 30 5.532 -8.094 -9.363 1.00 0.00 C ATOM 392 CD1 LEU A 30 6.885 -7.992 -8.677 1.00 0.00 C ATOM 393 CD2 LEU A 30 5.647 -7.719 -10.834 1.00 0.00 C ATOM 0 H LEU A 30 3.737 -11.621 -8.853 1.00 0.00 H new ATOM 0 HA LEU A 30 4.705 -9.621 -7.081 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.788 -10.212 -9.199 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.363 -9.728 -10.098 1.00 0.00 H new ATOM 0 HG LEU A 30 4.851 -7.392 -8.882 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.277 -6.982 -8.794 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.773 -8.217 -7.616 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.576 -8.704 -9.128 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.056 -6.713 -10.922 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.307 -8.425 -11.339 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.660 -7.751 -11.296 1.00 0.00 H new ATOM 405 N GLN A 31 2.829 -8.045 -6.802 1.00 0.00 N ATOM 406 CA GLN A 31 1.778 -7.047 -6.633 1.00 0.00 C ATOM 407 C GLN A 31 2.373 -5.648 -6.508 1.00 0.00 C ATOM 408 O GLN A 31 3.292 -5.421 -5.722 1.00 0.00 O ATOM 409 CB GLN A 31 0.935 -7.369 -5.398 1.00 0.00 C ATOM 410 CG GLN A 31 0.419 -8.798 -5.369 1.00 0.00 C ATOM 411 CD GLN A 31 -0.581 -9.080 -6.473 1.00 0.00 C ATOM 412 OE1 GLN A 31 -1.086 -8.160 -7.118 1.00 0.00 O ATOM 413 NE2 GLN A 31 -0.872 -10.356 -6.698 1.00 0.00 N ATOM 0 H GLN A 31 3.441 -8.155 -5.994 1.00 0.00 H new ATOM 0 HA GLN A 31 1.140 -7.073 -7.516 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.532 -7.189 -4.504 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.087 -6.685 -5.358 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.260 -9.486 -5.461 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -0.047 -8.992 -4.403 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.430 -11.086 -6.139 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.538 -10.606 -7.429 1.00 0.00 H new ATOM 422 N SER A 32 1.841 -4.714 -7.289 1.00 0.00 N ATOM 423 CA SER A 32 2.321 -3.337 -7.269 1.00 0.00 C ATOM 424 C SER A 32 1.174 -2.358 -7.504 1.00 0.00 C ATOM 425 O SER A 32 0.212 -2.668 -8.206 1.00 0.00 O ATOM 426 CB SER A 32 3.403 -3.136 -8.332 1.00 0.00 C ATOM 427 OG SER A 32 3.821 -1.783 -8.385 1.00 0.00 O ATOM 0 H SER A 32 1.078 -4.885 -7.943 1.00 0.00 H new ATOM 0 HA SER A 32 2.747 -3.141 -6.285 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.258 -3.775 -8.111 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.021 -3.440 -9.306 1.00 0.00 H new ATOM 0 HG SER A 32 4.514 -1.681 -9.071 1.00 0.00 H new ATOM 433 N PHE A 33 1.284 -1.174 -6.909 1.00 0.00 N ATOM 434 CA PHE A 33 0.257 -0.149 -7.051 1.00 0.00 C ATOM 435 C PHE A 33 0.885 1.235 -7.186 1.00 0.00 C ATOM 436 O PHE A 33 2.109 1.376 -7.203 1.00 0.00 O ATOM 437 CB PHE A 33 -0.690 -0.177 -5.850 1.00 0.00 C ATOM 438 CG PHE A 33 0.020 -0.251 -4.528 1.00 0.00 C ATOM 439 CD1 PHE A 33 0.691 -1.404 -4.153 1.00 0.00 C ATOM 440 CD2 PHE A 33 0.015 0.829 -3.662 1.00 0.00 C ATOM 441 CE1 PHE A 33 1.345 -1.477 -2.937 1.00 0.00 C ATOM 442 CE2 PHE A 33 0.668 0.762 -2.446 1.00 0.00 C ATOM 443 CZ PHE A 33 1.333 -0.392 -2.082 1.00 0.00 C ATOM 0 H PHE A 33 2.074 -0.901 -6.324 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.310 -0.361 -7.957 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.314 0.716 -5.869 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.357 -1.034 -5.943 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.703 -2.255 -4.818 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.505 1.734 -3.940 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.865 -2.381 -2.656 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.658 1.612 -1.780 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.842 -0.446 -1.131 1.00 0.00 H new ATOM 453 N THR A 34 0.039 2.255 -7.285 1.00 0.00 N ATOM 454 CA THR A 34 0.509 3.628 -7.422 1.00 0.00 C ATOM 455 C THR A 34 0.017 4.495 -6.267 1.00 0.00 C ATOM 456 O THR A 34 -1.174 4.514 -5.956 1.00 0.00 O ATOM 457 CB THR A 34 0.045 4.252 -8.751 1.00 0.00 C ATOM 458 OG1 THR A 34 0.576 3.509 -9.853 1.00 0.00 O ATOM 459 CG2 THR A 34 0.486 5.704 -8.852 1.00 0.00 C ATOM 0 H THR A 34 -0.976 2.156 -7.273 1.00 0.00 H new ATOM 0 HA THR A 34 1.598 3.592 -7.408 1.00 0.00 H new ATOM 0 HB THR A 34 -1.044 4.218 -8.781 1.00 0.00 H new ATOM 0 HG1 THR A 34 0.275 3.911 -10.694 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.146 6.122 -9.799 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.055 6.273 -8.029 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.573 5.758 -8.801 1.00 0.00 H new ATOM 467 N VAL A 35 0.942 5.211 -5.636 1.00 0.00 N ATOM 468 CA VAL A 35 0.602 6.082 -4.517 1.00 0.00 C ATOM 469 C VAL A 35 0.712 7.550 -4.910 1.00 0.00 C ATOM 470 O VAL A 35 1.812 8.085 -5.052 1.00 0.00 O ATOM 471 CB VAL A 35 1.512 5.817 -3.303 1.00 0.00 C ATOM 472 CG1 VAL A 35 1.110 6.699 -2.132 1.00 0.00 C ATOM 473 CG2 VAL A 35 1.467 4.346 -2.915 1.00 0.00 C ATOM 0 H VAL A 35 1.932 5.205 -5.880 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.429 5.859 -4.244 1.00 0.00 H new ATOM 0 HB VAL A 35 2.537 6.065 -3.578 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.764 6.498 -1.284 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.199 7.747 -2.418 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.078 6.486 -1.853 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.116 4.176 -2.056 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.445 4.069 -2.658 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.809 3.738 -3.753 1.00 0.00 H new ATOM 483 N ASP A 36 -0.434 8.198 -5.085 1.00 0.00 N ATOM 484 CA ASP A 36 -0.467 9.607 -5.460 1.00 0.00 C ATOM 485 C ASP A 36 -0.422 10.500 -4.225 1.00 0.00 C ATOM 486 O ASP A 36 -1.401 10.602 -3.485 1.00 0.00 O ATOM 487 CB ASP A 36 -1.724 9.910 -6.278 1.00 0.00 C ATOM 488 CG ASP A 36 -1.717 11.313 -6.851 1.00 0.00 C ATOM 489 OD1 ASP A 36 -1.061 11.526 -7.892 1.00 0.00 O ATOM 490 OD2 ASP A 36 -2.370 12.198 -6.259 1.00 0.00 O ATOM 0 H ASP A 36 -1.353 7.770 -4.973 1.00 0.00 H new ATOM 0 HA ASP A 36 0.413 9.816 -6.069 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -1.807 9.189 -7.091 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.604 9.783 -5.647 1.00 0.00 H new ATOM 495 N SER A 37 0.721 11.143 -4.006 1.00 0.00 N ATOM 496 CA SER A 37 0.894 12.024 -2.857 1.00 0.00 C ATOM 497 C SER A 37 1.293 13.427 -3.303 1.00 0.00 C ATOM 498 O SER A 37 1.868 14.196 -2.533 1.00 0.00 O ATOM 499 CB SER A 37 1.954 11.458 -1.910 1.00 0.00 C ATOM 500 OG SER A 37 3.243 11.509 -2.497 1.00 0.00 O ATOM 0 H SER A 37 1.540 11.070 -4.609 1.00 0.00 H new ATOM 0 HA SER A 37 -0.059 12.086 -2.331 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.953 12.024 -0.978 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.707 10.427 -1.657 1.00 0.00 H new ATOM 0 HG SER A 37 3.902 11.143 -1.871 1.00 0.00 H new ATOM 506 N SER A 38 0.983 13.754 -4.554 1.00 0.00 N ATOM 507 CA SER A 38 1.311 15.063 -5.106 1.00 0.00 C ATOM 508 C SER A 38 0.509 16.161 -4.415 1.00 0.00 C ATOM 509 O SER A 38 1.004 17.268 -4.201 1.00 0.00 O ATOM 510 CB SER A 38 1.039 15.088 -6.612 1.00 0.00 C ATOM 511 OG SER A 38 1.355 16.354 -7.166 1.00 0.00 O ATOM 0 H SER A 38 0.505 13.130 -5.204 1.00 0.00 H new ATOM 0 HA SER A 38 2.371 15.247 -4.932 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.629 14.315 -7.104 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.010 14.857 -6.799 1.00 0.00 H new ATOM 0 HG SER A 38 1.174 16.344 -8.129 1.00 0.00 H new ATOM 517 N LYS A 39 -0.734 15.847 -4.067 1.00 0.00 N ATOM 518 CA LYS A 39 -1.607 16.805 -3.398 1.00 0.00 C ATOM 519 C LYS A 39 -1.342 16.827 -1.897 1.00 0.00 C ATOM 520 O LYS A 39 -1.861 17.680 -1.178 1.00 0.00 O ATOM 521 CB LYS A 39 -3.074 16.458 -3.663 1.00 0.00 C ATOM 522 CG LYS A 39 -3.484 16.611 -5.117 1.00 0.00 C ATOM 523 CD LYS A 39 -3.948 18.026 -5.421 1.00 0.00 C ATOM 524 CE LYS A 39 -4.494 18.141 -6.836 1.00 0.00 C ATOM 525 NZ LYS A 39 -3.405 18.152 -7.852 1.00 0.00 N ATOM 0 H LYS A 39 -1.160 14.936 -4.237 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.395 17.796 -3.800 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.258 15.430 -3.349 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.706 17.097 -3.047 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.643 16.357 -5.762 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.285 15.908 -5.346 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.718 18.319 -4.708 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.116 18.718 -5.293 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.167 17.307 -7.034 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.083 19.054 -6.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.818 18.232 -8.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.777 18.962 -7.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.859 17.270 -7.785 1.00 0.00 H new ATOM 539 N ALA A 40 -0.529 15.885 -1.430 1.00 0.00 N ATOM 540 CA ALA A 40 -0.191 15.800 -0.015 1.00 0.00 C ATOM 541 C ALA A 40 0.941 16.756 0.338 1.00 0.00 C ATOM 542 O ALA A 40 0.979 17.312 1.435 1.00 0.00 O ATOM 543 CB ALA A 40 0.187 14.372 0.352 1.00 0.00 C ATOM 0 H ALA A 40 -0.092 15.170 -2.012 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.069 16.092 0.561 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.437 14.323 1.412 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.653 13.709 0.146 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.048 14.060 -0.239 1.00 0.00 H new ATOM 549 N GLY A 41 1.865 16.944 -0.599 1.00 0.00 N ATOM 550 CA GLY A 41 2.988 17.834 -0.367 1.00 0.00 C ATOM 551 C GLY A 41 4.314 17.208 -0.752 1.00 0.00 C ATOM 552 O GLY A 41 4.432 16.588 -1.810 1.00 0.00 O ATOM 0 H GLY A 41 1.856 16.496 -1.515 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.844 18.752 -0.937 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.014 18.114 0.686 1.00 0.00 H new ATOM 556 N LEU A 42 5.314 17.369 0.107 1.00 0.00 N ATOM 557 CA LEU A 42 6.639 16.817 -0.149 1.00 0.00 C ATOM 558 C LEU A 42 7.070 15.887 0.981 1.00 0.00 C ATOM 559 O LEU A 42 8.260 15.641 1.177 1.00 0.00 O ATOM 560 CB LEU A 42 7.661 17.943 -0.314 1.00 0.00 C ATOM 561 CG LEU A 42 7.641 19.031 0.761 1.00 0.00 C ATOM 562 CD1 LEU A 42 6.524 20.027 0.492 1.00 0.00 C ATOM 563 CD2 LEU A 42 7.485 18.412 2.142 1.00 0.00 C ATOM 0 H LEU A 42 5.232 17.878 0.987 1.00 0.00 H new ATOM 0 HA LEU A 42 6.591 16.240 -1.072 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.657 17.502 -0.337 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.499 18.415 -1.283 1.00 0.00 H new ATOM 0 HG LEU A 42 8.591 19.565 0.729 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.525 20.793 1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.679 20.494 -0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.565 19.508 0.496 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.473 19.200 2.895 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.550 17.853 2.187 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.320 17.739 2.335 1.00 0.00 H new ATOM 575 N ALA A 43 6.093 15.373 1.721 1.00 0.00 N ATOM 576 CA ALA A 43 6.370 14.468 2.830 1.00 0.00 C ATOM 577 C ALA A 43 6.650 13.055 2.328 1.00 0.00 C ATOM 578 O ALA A 43 6.162 12.635 1.278 1.00 0.00 O ATOM 579 CB ALA A 43 5.205 14.460 3.810 1.00 0.00 C ATOM 0 H ALA A 43 5.103 15.568 1.573 1.00 0.00 H new ATOM 0 HA ALA A 43 7.261 14.827 3.345 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.426 13.780 4.633 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.052 15.466 4.202 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.301 14.129 3.298 1.00 0.00 H new ATOM 585 N PRO A 44 7.455 12.303 3.093 1.00 0.00 N ATOM 586 CA PRO A 44 7.818 10.927 2.745 1.00 0.00 C ATOM 587 C PRO A 44 6.640 9.966 2.870 1.00 0.00 C ATOM 588 O PRO A 44 5.611 10.304 3.456 1.00 0.00 O ATOM 589 CB PRO A 44 8.904 10.576 3.766 1.00 0.00 C ATOM 590 CG PRO A 44 8.629 11.465 4.930 1.00 0.00 C ATOM 591 CD PRO A 44 8.073 12.738 4.356 1.00 0.00 C ATOM 0 HA PRO A 44 8.145 10.843 1.709 1.00 0.00 H new ATOM 0 HB2 PRO A 44 8.856 9.525 4.050 1.00 0.00 H new ATOM 0 HB3 PRO A 44 9.900 10.751 3.360 1.00 0.00 H new ATOM 0 HG2 PRO A 44 7.918 11.003 5.615 1.00 0.00 H new ATOM 0 HG3 PRO A 44 9.539 11.658 5.498 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.343 13.194 5.024 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.856 13.477 4.186 1.00 0.00 H new ATOM 599 N LEU A 45 6.797 8.769 2.317 1.00 0.00 N ATOM 600 CA LEU A 45 5.746 7.759 2.368 1.00 0.00 C ATOM 601 C LEU A 45 6.263 6.465 2.989 1.00 0.00 C ATOM 602 O LEU A 45 7.350 5.997 2.655 1.00 0.00 O ATOM 603 CB LEU A 45 5.207 7.484 0.963 1.00 0.00 C ATOM 604 CG LEU A 45 4.149 6.386 0.853 1.00 0.00 C ATOM 605 CD1 LEU A 45 2.772 6.937 1.188 1.00 0.00 C ATOM 606 CD2 LEU A 45 4.156 5.776 -0.542 1.00 0.00 C ATOM 0 H LEU A 45 7.642 8.474 1.828 1.00 0.00 H new ATOM 0 HA LEU A 45 4.938 8.142 2.992 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.784 8.409 0.570 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.046 7.218 0.319 1.00 0.00 H new ATOM 0 HG LEU A 45 4.390 5.603 1.572 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.032 6.141 1.104 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.774 7.326 2.206 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.522 7.739 0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.397 4.996 -0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.940 6.550 -1.279 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.136 5.344 -0.745 1.00 0.00 H new ATOM 618 N GLU A 46 5.474 5.893 3.894 1.00 0.00 N ATOM 619 CA GLU A 46 5.853 4.653 4.560 1.00 0.00 C ATOM 620 C GLU A 46 4.838 3.549 4.273 1.00 0.00 C ATOM 621 O GLU A 46 3.645 3.811 4.118 1.00 0.00 O ATOM 622 CB GLU A 46 5.969 4.873 6.069 1.00 0.00 C ATOM 623 CG GLU A 46 6.900 3.890 6.758 1.00 0.00 C ATOM 624 CD GLU A 46 7.479 4.441 8.047 1.00 0.00 C ATOM 625 OE1 GLU A 46 6.878 5.377 8.615 1.00 0.00 O ATOM 626 OE2 GLU A 46 8.533 3.936 8.488 1.00 0.00 O ATOM 0 H GLU A 46 4.570 6.268 4.182 1.00 0.00 H new ATOM 0 HA GLU A 46 6.822 4.343 4.170 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.324 5.887 6.253 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.978 4.796 6.516 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.357 2.970 6.972 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.713 3.630 6.081 1.00 0.00 H new ATOM 633 N VAL A 47 5.321 2.312 4.201 1.00 0.00 N ATOM 634 CA VAL A 47 4.458 1.169 3.934 1.00 0.00 C ATOM 635 C VAL A 47 4.809 -0.008 4.837 1.00 0.00 C ATOM 636 O VAL A 47 5.959 -0.169 5.245 1.00 0.00 O ATOM 637 CB VAL A 47 4.560 0.720 2.463 1.00 0.00 C ATOM 638 CG1 VAL A 47 3.602 -0.429 2.187 1.00 0.00 C ATOM 639 CG2 VAL A 47 4.284 1.891 1.530 1.00 0.00 C ATOM 0 H VAL A 47 6.306 2.077 4.324 1.00 0.00 H new ATOM 0 HA VAL A 47 3.437 1.489 4.139 1.00 0.00 H new ATOM 0 HB VAL A 47 5.575 0.367 2.278 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.688 -0.732 1.144 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.850 -1.272 2.832 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.580 -0.107 2.388 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.360 1.557 0.495 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.281 2.275 1.715 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.014 2.680 1.711 1.00 0.00 H new ATOM 649 N ARG A 48 3.809 -0.828 5.146 1.00 0.00 N ATOM 650 CA ARG A 48 4.013 -1.991 6.001 1.00 0.00 C ATOM 651 C ARG A 48 2.974 -3.070 5.709 1.00 0.00 C ATOM 652 O ARG A 48 1.781 -2.786 5.607 1.00 0.00 O ATOM 653 CB ARG A 48 3.940 -1.586 7.475 1.00 0.00 C ATOM 654 CG ARG A 48 5.238 -1.002 8.010 1.00 0.00 C ATOM 655 CD ARG A 48 5.260 -0.995 9.531 1.00 0.00 C ATOM 656 NE ARG A 48 6.622 -1.025 10.058 1.00 0.00 N ATOM 657 CZ ARG A 48 7.404 -2.096 10.014 1.00 0.00 C ATOM 658 NH1 ARG A 48 6.964 -3.221 9.468 1.00 0.00 N ATOM 659 NH2 ARG A 48 8.632 -2.045 10.516 1.00 0.00 N ATOM 0 H ARG A 48 2.851 -0.708 4.817 1.00 0.00 H new ATOM 0 HA ARG A 48 5.003 -2.396 5.790 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.142 -0.855 7.603 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.671 -2.459 8.070 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.081 -1.582 7.635 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.361 0.015 7.638 1.00 0.00 H new ATOM 0 HD2 ARG A 48 4.749 -0.104 9.897 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.707 -1.856 9.906 1.00 0.00 H new ATOM 0 HE ARG A 48 6.993 -0.175 10.484 1.00 0.00 H new ATOM 0 HH11 ARG A 48 6.022 -3.265 9.080 1.00 0.00 H new ATOM 0 HH12 ARG A 48 7.568 -4.042 9.436 1.00 0.00 H new ATOM 0 HH21 ARG A 48 8.976 -1.182 10.936 1.00 0.00 H new ATOM 0 HH22 ARG A 48 9.232 -2.869 10.481 1.00 0.00 H new ATOM 673 N VAL A 49 3.437 -4.309 5.575 1.00 0.00 N ATOM 674 CA VAL A 49 2.548 -5.431 5.294 1.00 0.00 C ATOM 675 C VAL A 49 2.490 -6.395 6.473 1.00 0.00 C ATOM 676 O VAL A 49 3.523 -6.834 6.981 1.00 0.00 O ATOM 677 CB VAL A 49 2.996 -6.201 4.038 1.00 0.00 C ATOM 678 CG1 VAL A 49 2.037 -7.344 3.741 1.00 0.00 C ATOM 679 CG2 VAL A 49 3.102 -5.261 2.846 1.00 0.00 C ATOM 0 H VAL A 49 4.422 -4.561 5.656 1.00 0.00 H new ATOM 0 HA VAL A 49 1.556 -5.013 5.121 1.00 0.00 H new ATOM 0 HB VAL A 49 3.982 -6.625 4.227 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.370 -7.876 2.850 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.016 -8.031 4.587 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.037 -6.945 3.573 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.420 -5.822 1.967 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.130 -4.806 2.654 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.832 -4.481 3.062 1.00 0.00 H new ATOM 689 N LEU A 50 1.276 -6.719 6.906 1.00 0.00 N ATOM 690 CA LEU A 50 1.082 -7.632 8.026 1.00 0.00 C ATOM 691 C LEU A 50 0.188 -8.802 7.628 1.00 0.00 C ATOM 692 O LEU A 50 -0.910 -8.607 7.111 1.00 0.00 O ATOM 693 CB LEU A 50 0.470 -6.889 9.216 1.00 0.00 C ATOM 694 CG LEU A 50 1.423 -5.995 10.012 1.00 0.00 C ATOM 695 CD1 LEU A 50 2.599 -6.804 10.537 1.00 0.00 C ATOM 696 CD2 LEU A 50 1.911 -4.838 9.152 1.00 0.00 C ATOM 0 H LEU A 50 0.412 -6.363 6.498 1.00 0.00 H new ATOM 0 HA LEU A 50 2.057 -8.026 8.314 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.353 -6.274 8.851 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.041 -7.625 9.896 1.00 0.00 H new ATOM 0 HG LEU A 50 0.881 -5.585 10.864 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.266 -6.152 11.101 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.233 -7.598 11.188 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.142 -7.242 9.700 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.588 -4.212 9.734 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.437 -5.229 8.281 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.058 -4.243 8.824 1.00 0.00 H new ATOM 708 N GLY A 51 0.666 -10.017 7.875 1.00 0.00 N ATOM 709 CA GLY A 51 -0.104 -11.200 7.538 1.00 0.00 C ATOM 710 C GLY A 51 -1.283 -11.408 8.467 1.00 0.00 C ATOM 711 O GLY A 51 -1.515 -10.633 9.393 1.00 0.00 O ATOM 0 H GLY A 51 1.573 -10.204 8.303 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.464 -11.116 6.513 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.544 -12.075 7.577 1.00 0.00 H new ATOM 715 N PRO A 52 -2.053 -12.479 8.221 1.00 0.00 N ATOM 716 CA PRO A 52 -3.229 -12.811 9.031 1.00 0.00 C ATOM 717 C PRO A 52 -2.853 -13.282 10.432 1.00 0.00 C ATOM 718 O PRO A 52 -3.530 -12.959 11.408 1.00 0.00 O ATOM 719 CB PRO A 52 -3.891 -13.946 8.246 1.00 0.00 C ATOM 720 CG PRO A 52 -2.782 -14.567 7.468 1.00 0.00 C ATOM 721 CD PRO A 52 -1.835 -13.447 7.133 1.00 0.00 C ATOM 0 HA PRO A 52 -3.875 -11.947 9.185 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.359 -14.669 8.914 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.673 -13.568 7.588 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.282 -15.340 8.051 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.159 -15.044 6.563 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.801 -13.791 7.102 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.056 -13.012 6.158 1.00 0.00 H new ATOM 729 N ARG A 53 -1.769 -14.044 10.525 1.00 0.00 N ATOM 730 CA ARG A 53 -1.303 -14.559 11.806 1.00 0.00 C ATOM 731 C ARG A 53 -0.391 -13.551 12.499 1.00 0.00 C ATOM 732 O ARG A 53 -0.347 -13.480 13.726 1.00 0.00 O ATOM 733 CB ARG A 53 -0.561 -15.882 11.610 1.00 0.00 C ATOM 734 CG ARG A 53 -1.107 -16.723 10.467 1.00 0.00 C ATOM 735 CD ARG A 53 -0.298 -16.525 9.194 1.00 0.00 C ATOM 736 NE ARG A 53 0.878 -17.390 9.153 1.00 0.00 N ATOM 737 CZ ARG A 53 2.096 -16.992 9.505 1.00 0.00 C ATOM 738 NH1 ARG A 53 2.297 -15.750 9.921 1.00 0.00 N ATOM 739 NH2 ARG A 53 3.116 -17.839 9.439 1.00 0.00 N ATOM 0 H ARG A 53 -1.196 -14.319 9.727 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.175 -14.729 12.438 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.493 -15.674 11.426 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.615 -16.459 12.533 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.092 -17.776 10.749 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.148 -16.457 10.283 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.928 -16.729 8.328 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.015 -15.483 9.122 1.00 0.00 H new ATOM 0 HE ARG A 53 0.758 -18.352 8.837 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.516 -15.096 9.972 1.00 0.00 H new ATOM 0 HH12 ARG A 53 3.233 -15.448 10.190 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.965 -18.795 9.118 1.00 0.00 H new ATOM 0 HH22 ARG A 53 4.051 -17.533 9.709 1.00 0.00 H new ATOM 753 N GLY A 54 0.335 -12.772 11.702 1.00 0.00 N ATOM 754 CA GLY A 54 1.237 -11.779 12.256 1.00 0.00 C ATOM 755 C GLY A 54 2.589 -11.778 11.573 1.00 0.00 C ATOM 756 O GLY A 54 3.605 -11.459 12.191 1.00 0.00 O ATOM 0 H GLY A 54 0.314 -12.811 10.683 1.00 0.00 H new ATOM 0 HA2 GLY A 54 0.786 -10.791 12.163 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.372 -11.969 13.321 1.00 0.00 H new ATOM 760 N LEU A 55 2.604 -12.137 10.294 1.00 0.00 N ATOM 761 CA LEU A 55 3.843 -12.178 9.525 1.00 0.00 C ATOM 762 C LEU A 55 4.219 -10.788 9.023 1.00 0.00 C ATOM 763 O LEU A 55 3.350 -9.966 8.729 1.00 0.00 O ATOM 764 CB LEU A 55 3.702 -13.139 8.343 1.00 0.00 C ATOM 765 CG LEU A 55 4.759 -13.013 7.246 1.00 0.00 C ATOM 766 CD1 LEU A 55 6.084 -13.598 7.711 1.00 0.00 C ATOM 767 CD2 LEU A 55 4.290 -13.700 5.972 1.00 0.00 C ATOM 0 H LEU A 55 1.772 -12.404 9.768 1.00 0.00 H new ATOM 0 HA LEU A 55 4.637 -12.534 10.182 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.724 -14.159 8.726 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.721 -12.988 7.893 1.00 0.00 H new ATOM 0 HG LEU A 55 4.907 -11.955 7.032 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.824 -13.499 6.917 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.428 -13.062 8.596 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.951 -14.652 7.954 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.055 -13.600 5.202 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.113 -14.757 6.173 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.366 -13.236 5.627 1.00 0.00 H new ATOM 779 N VAL A 56 5.520 -10.530 8.924 1.00 0.00 N ATOM 780 CA VAL A 56 6.010 -9.241 8.453 1.00 0.00 C ATOM 781 C VAL A 56 6.657 -9.368 7.078 1.00 0.00 C ATOM 782 O VAL A 56 7.769 -9.879 6.950 1.00 0.00 O ATOM 783 CB VAL A 56 7.032 -8.636 9.435 1.00 0.00 C ATOM 784 CG1 VAL A 56 7.565 -7.315 8.905 1.00 0.00 C ATOM 785 CG2 VAL A 56 6.405 -8.455 10.810 1.00 0.00 C ATOM 0 H VAL A 56 6.253 -11.197 9.164 1.00 0.00 H new ATOM 0 HA VAL A 56 5.146 -8.580 8.385 1.00 0.00 H new ATOM 0 HB VAL A 56 7.871 -9.325 9.531 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.285 -6.903 9.612 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.053 -7.479 7.944 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.740 -6.614 8.778 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.140 -8.027 11.492 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.548 -7.786 10.734 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.078 -9.422 11.191 1.00 0.00 H new ATOM 795 N GLU A 57 5.953 -8.897 6.053 1.00 0.00 N ATOM 796 CA GLU A 57 6.460 -8.959 4.688 1.00 0.00 C ATOM 797 C GLU A 57 7.121 -7.642 4.293 1.00 0.00 C ATOM 798 O GLU A 57 6.696 -6.559 4.696 1.00 0.00 O ATOM 799 CB GLU A 57 5.325 -9.285 3.714 1.00 0.00 C ATOM 800 CG GLU A 57 4.959 -10.759 3.678 1.00 0.00 C ATOM 801 CD GLU A 57 4.127 -11.124 2.464 1.00 0.00 C ATOM 802 OE1 GLU A 57 4.197 -10.390 1.456 1.00 0.00 O ATOM 803 OE2 GLU A 57 3.408 -12.143 2.521 1.00 0.00 O ATOM 0 H GLU A 57 5.031 -8.469 6.142 1.00 0.00 H new ATOM 0 HA GLU A 57 7.209 -9.750 4.641 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.443 -8.707 3.990 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.614 -8.966 2.712 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.871 -11.356 3.682 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.407 -11.015 4.582 1.00 0.00 H new ATOM 810 N PRO A 58 8.188 -7.734 3.486 1.00 0.00 N ATOM 811 CA PRO A 58 8.932 -6.560 3.019 1.00 0.00 C ATOM 812 C PRO A 58 8.131 -5.724 2.026 1.00 0.00 C ATOM 813 O PRO A 58 7.091 -6.158 1.530 1.00 0.00 O ATOM 814 CB PRO A 58 10.161 -7.167 2.337 1.00 0.00 C ATOM 815 CG PRO A 58 9.729 -8.531 1.921 1.00 0.00 C ATOM 816 CD PRO A 58 8.752 -8.992 2.967 1.00 0.00 C ATOM 0 HA PRO A 58 9.173 -5.879 3.835 1.00 0.00 H new ATOM 0 HB2 PRO A 58 10.472 -6.571 1.479 1.00 0.00 H new ATOM 0 HB3 PRO A 58 11.010 -7.212 3.019 1.00 0.00 H new ATOM 0 HG2 PRO A 58 9.264 -8.510 0.935 1.00 0.00 H new ATOM 0 HG3 PRO A 58 10.581 -9.208 1.857 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.980 -9.633 2.541 1.00 0.00 H new ATOM 0 HD3 PRO A 58 9.245 -9.565 3.752 1.00 0.00 H new ATOM 824 N VAL A 59 8.623 -4.523 1.740 1.00 0.00 N ATOM 825 CA VAL A 59 7.954 -3.627 0.805 1.00 0.00 C ATOM 826 C VAL A 59 8.965 -2.855 -0.037 1.00 0.00 C ATOM 827 O VAL A 59 10.158 -2.847 0.261 1.00 0.00 O ATOM 828 CB VAL A 59 7.045 -2.625 1.541 1.00 0.00 C ATOM 829 CG1 VAL A 59 5.870 -3.343 2.186 1.00 0.00 C ATOM 830 CG2 VAL A 59 7.840 -1.847 2.578 1.00 0.00 C ATOM 0 H VAL A 59 9.482 -4.148 2.142 1.00 0.00 H new ATOM 0 HA VAL A 59 7.343 -4.250 0.152 1.00 0.00 H new ATOM 0 HB VAL A 59 6.651 -1.916 0.813 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.239 -2.619 2.701 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.287 -3.850 1.417 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.240 -4.076 2.903 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.182 -1.144 3.088 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.265 -2.539 3.305 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.644 -1.300 2.085 1.00 0.00 H new ATOM 840 N ASN A 60 8.478 -2.207 -1.091 1.00 0.00 N ATOM 841 CA ASN A 60 9.339 -1.433 -1.977 1.00 0.00 C ATOM 842 C ASN A 60 8.839 0.003 -2.102 1.00 0.00 C ATOM 843 O ASN A 60 7.635 0.251 -2.153 1.00 0.00 O ATOM 844 CB ASN A 60 9.403 -2.085 -3.359 1.00 0.00 C ATOM 845 CG ASN A 60 9.857 -1.118 -4.434 1.00 0.00 C ATOM 846 OD1 ASN A 60 8.976 -0.200 -4.815 1.00 0.00 O flip ATOM 847 ND2 ASN A 60 10.987 -1.195 -4.917 1.00 0.00 N flip ATOM 0 H ASN A 60 7.492 -2.203 -1.352 1.00 0.00 H new ATOM 0 HA ASN A 60 10.340 -1.415 -1.546 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.086 -2.934 -3.326 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.420 -2.477 -3.619 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.632 -1.917 -4.594 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.279 -0.537 -5.640 1.00 0.00 H new ATOM 854 N VAL A 61 9.774 0.947 -2.153 1.00 0.00 N ATOM 855 CA VAL A 61 9.430 2.358 -2.275 1.00 0.00 C ATOM 856 C VAL A 61 10.266 3.037 -3.353 1.00 0.00 C ATOM 857 O VAL A 61 11.475 3.216 -3.196 1.00 0.00 O ATOM 858 CB VAL A 61 9.630 3.102 -0.941 1.00 0.00 C ATOM 859 CG1 VAL A 61 9.332 4.585 -1.106 1.00 0.00 C ATOM 860 CG2 VAL A 61 8.756 2.493 0.145 1.00 0.00 C ATOM 0 H VAL A 61 10.776 0.759 -2.112 1.00 0.00 H new ATOM 0 HA VAL A 61 8.377 2.404 -2.554 1.00 0.00 H new ATOM 0 HB VAL A 61 10.672 2.996 -0.639 1.00 0.00 H new ATOM 0 HG11 VAL A 61 9.479 5.094 -0.153 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.004 5.010 -1.852 1.00 0.00 H new ATOM 0 HG13 VAL A 61 8.300 4.715 -1.431 1.00 0.00 H new ATOM 0 HG21 VAL A 61 8.910 3.031 1.080 1.00 0.00 H new ATOM 0 HG22 VAL A 61 7.708 2.566 -0.147 1.00 0.00 H new ATOM 0 HG23 VAL A 61 9.022 1.445 0.281 1.00 0.00 H new ATOM 870 N VAL A 62 9.616 3.415 -4.449 1.00 0.00 N ATOM 871 CA VAL A 62 10.299 4.077 -5.554 1.00 0.00 C ATOM 872 C VAL A 62 9.457 5.215 -6.118 1.00 0.00 C ATOM 873 O VAL A 62 8.377 4.992 -6.664 1.00 0.00 O ATOM 874 CB VAL A 62 10.626 3.085 -6.687 1.00 0.00 C ATOM 875 CG1 VAL A 62 11.291 3.803 -7.851 1.00 0.00 C ATOM 876 CG2 VAL A 62 11.508 1.958 -6.170 1.00 0.00 C ATOM 0 H VAL A 62 8.616 3.274 -4.595 1.00 0.00 H new ATOM 0 HA VAL A 62 11.229 4.481 -5.154 1.00 0.00 H new ATOM 0 HB VAL A 62 9.693 2.650 -7.046 1.00 0.00 H new ATOM 0 HG11 VAL A 62 11.514 3.086 -8.641 1.00 0.00 H new ATOM 0 HG12 VAL A 62 10.620 4.570 -8.236 1.00 0.00 H new ATOM 0 HG13 VAL A 62 12.216 4.268 -7.511 1.00 0.00 H new ATOM 0 HG21 VAL A 62 11.729 1.267 -6.983 1.00 0.00 H new ATOM 0 HG22 VAL A 62 12.439 2.373 -5.783 1.00 0.00 H new ATOM 0 HG23 VAL A 62 10.989 1.426 -5.373 1.00 0.00 H new ATOM 886 N ASP A 63 9.961 6.438 -5.983 1.00 0.00 N ATOM 887 CA ASP A 63 9.256 7.614 -6.481 1.00 0.00 C ATOM 888 C ASP A 63 9.307 7.674 -8.004 1.00 0.00 C ATOM 889 O ASP A 63 10.333 7.373 -8.612 1.00 0.00 O ATOM 890 CB ASP A 63 9.862 8.886 -5.887 1.00 0.00 C ATOM 891 CG ASP A 63 9.101 10.134 -6.293 1.00 0.00 C ATOM 892 OD1 ASP A 63 9.192 10.524 -7.476 1.00 0.00 O ATOM 893 OD2 ASP A 63 8.416 10.719 -5.429 1.00 0.00 O ATOM 0 H ASP A 63 10.854 6.640 -5.533 1.00 0.00 H new ATOM 0 HA ASP A 63 8.213 7.540 -6.174 1.00 0.00 H new ATOM 0 HB2 ASP A 63 9.871 8.807 -4.800 1.00 0.00 H new ATOM 0 HB3 ASP A 63 10.899 8.976 -6.209 1.00 0.00 H new ATOM 898 N ASN A 64 8.193 8.064 -8.614 1.00 0.00 N ATOM 899 CA ASN A 64 8.110 8.163 -10.066 1.00 0.00 C ATOM 900 C ASN A 64 8.795 9.431 -10.566 1.00 0.00 C ATOM 901 O ASN A 64 9.525 9.406 -11.556 1.00 0.00 O ATOM 902 CB ASN A 64 6.648 8.148 -10.517 1.00 0.00 C ATOM 903 CG ASN A 64 5.981 6.808 -10.274 1.00 0.00 C ATOM 904 OD1 ASN A 64 5.770 6.474 -9.006 1.00 0.00 O flip ATOM 905 ND2 ASN A 64 5.660 6.082 -11.215 1.00 0.00 N flip ATOM 0 H ASN A 64 7.334 8.317 -8.125 1.00 0.00 H new ATOM 0 HA ASN A 64 8.624 7.302 -10.493 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.099 8.926 -9.986 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.596 8.389 -11.579 1.00 0.00 H new ATOM 0 HD21 ASN A 64 5.842 6.379 -12.174 1.00 0.00 H new ATOM 0 HD22 ASN A 64 5.212 5.183 -11.036 1.00 0.00 H new ATOM 912 N GLY A 65 8.555 10.539 -9.872 1.00 0.00 N ATOM 913 CA GLY A 65 9.156 11.803 -10.259 1.00 0.00 C ATOM 914 C GLY A 65 8.125 12.826 -10.693 1.00 0.00 C ATOM 915 O GLY A 65 8.398 14.027 -10.700 1.00 0.00 O ATOM 0 H GLY A 65 7.955 10.584 -9.048 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.728 12.201 -9.421 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.860 11.633 -11.074 1.00 0.00 H new ATOM 919 N ASP A 66 6.939 12.351 -11.057 1.00 0.00 N ATOM 920 CA ASP A 66 5.864 13.235 -11.494 1.00 0.00 C ATOM 921 C ASP A 66 4.983 13.642 -10.317 1.00 0.00 C ATOM 922 O ASP A 66 4.579 14.798 -10.201 1.00 0.00 O ATOM 923 CB ASP A 66 5.018 12.550 -12.569 1.00 0.00 C ATOM 924 CG ASP A 66 5.825 12.194 -13.801 1.00 0.00 C ATOM 925 OD1 ASP A 66 6.772 12.941 -14.125 1.00 0.00 O ATOM 926 OD2 ASP A 66 5.509 11.171 -14.443 1.00 0.00 O ATOM 0 H ASP A 66 6.698 11.360 -11.058 1.00 0.00 H new ATOM 0 HA ASP A 66 6.314 14.134 -11.915 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.574 11.645 -12.155 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.196 13.207 -12.854 1.00 0.00 H new ATOM 931 N GLY A 67 4.685 12.681 -9.447 1.00 0.00 N ATOM 932 CA GLY A 67 3.852 12.960 -8.292 1.00 0.00 C ATOM 933 C GLY A 67 3.237 11.704 -7.705 1.00 0.00 C ATOM 934 O GLY A 67 2.119 11.734 -7.188 1.00 0.00 O ATOM 0 H GLY A 67 5.005 11.716 -9.522 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.449 13.459 -7.529 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.058 13.650 -8.578 1.00 0.00 H new ATOM 938 N THR A 68 3.967 10.596 -7.785 1.00 0.00 N ATOM 939 CA THR A 68 3.486 9.325 -7.261 1.00 0.00 C ATOM 940 C THR A 68 4.642 8.456 -6.778 1.00 0.00 C ATOM 941 O THR A 68 5.808 8.832 -6.902 1.00 0.00 O ATOM 942 CB THR A 68 2.683 8.548 -8.320 1.00 0.00 C ATOM 943 OG1 THR A 68 3.532 8.199 -9.420 1.00 0.00 O ATOM 944 CG2 THR A 68 1.508 9.374 -8.822 1.00 0.00 C ATOM 0 H THR A 68 4.894 10.554 -8.208 1.00 0.00 H new ATOM 0 HA THR A 68 2.833 9.558 -6.420 1.00 0.00 H new ATOM 0 HB THR A 68 2.297 7.640 -7.857 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.014 7.704 -10.088 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.956 8.804 -9.569 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.849 9.613 -7.988 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.877 10.297 -9.269 1.00 0.00 H new ATOM 952 N HIS A 69 4.312 7.292 -6.228 1.00 0.00 N ATOM 953 CA HIS A 69 5.325 6.368 -5.728 1.00 0.00 C ATOM 954 C HIS A 69 4.878 4.921 -5.912 1.00 0.00 C ATOM 955 O HIS A 69 3.803 4.529 -5.459 1.00 0.00 O ATOM 956 CB HIS A 69 5.610 6.642 -4.251 1.00 0.00 C ATOM 957 CG HIS A 69 5.952 8.072 -3.962 1.00 0.00 C ATOM 958 ND1 HIS A 69 5.222 9.202 -4.103 1.00 0.00 N flip ATOM 959 CD2 HIS A 69 7.177 8.467 -3.467 1.00 0.00 C flip ATOM 960 CE1 HIS A 69 6.010 10.249 -3.693 1.00 0.00 C flip ATOM 961 NE2 HIS A 69 7.185 9.779 -3.314 1.00 0.00 N flip ATOM 0 H HIS A 69 3.352 6.966 -6.117 1.00 0.00 H new ATOM 0 HA HIS A 69 6.239 6.523 -6.302 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.737 6.360 -3.663 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.433 6.007 -3.924 1.00 0.00 H new ATOM 0 HD2 HIS A 69 8.001 7.807 -3.240 1.00 0.00 H new ATOM 0 HE1 HIS A 69 5.717 11.288 -3.682 1.00 0.00 H new ATOM 0 HE2 HIS A 69 7.965 10.334 -2.963 1.00 0.00 H new ATOM 970 N THR A 70 5.711 4.130 -6.582 1.00 0.00 N ATOM 971 CA THR A 70 5.402 2.728 -6.829 1.00 0.00 C ATOM 972 C THR A 70 5.807 1.860 -5.643 1.00 0.00 C ATOM 973 O THR A 70 6.856 2.073 -5.033 1.00 0.00 O ATOM 974 CB THR A 70 6.110 2.211 -8.095 1.00 0.00 C ATOM 975 OG1 THR A 70 5.568 2.850 -9.256 1.00 0.00 O ATOM 976 CG2 THR A 70 5.957 0.703 -8.223 1.00 0.00 C ATOM 0 H THR A 70 6.606 4.438 -6.963 1.00 0.00 H new ATOM 0 HA THR A 70 4.324 2.662 -6.973 1.00 0.00 H new ATOM 0 HB THR A 70 7.171 2.448 -8.013 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.025 2.517 -10.056 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.465 0.361 -9.125 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.397 0.217 -7.352 1.00 0.00 H new ATOM 0 HG23 THR A 70 4.899 0.449 -8.284 1.00 0.00 H new ATOM 984 N VAL A 71 4.971 0.877 -5.322 1.00 0.00 N ATOM 985 CA VAL A 71 5.244 -0.026 -4.210 1.00 0.00 C ATOM 986 C VAL A 71 5.072 -1.482 -4.629 1.00 0.00 C ATOM 987 O VAL A 71 3.951 -1.973 -4.763 1.00 0.00 O ATOM 988 CB VAL A 71 4.319 0.264 -3.012 1.00 0.00 C ATOM 989 CG1 VAL A 71 4.612 -0.694 -1.868 1.00 0.00 C ATOM 990 CG2 VAL A 71 4.470 1.709 -2.561 1.00 0.00 C ATOM 0 H VAL A 71 4.099 0.686 -5.816 1.00 0.00 H new ATOM 0 HA VAL A 71 6.278 0.143 -3.911 1.00 0.00 H new ATOM 0 HB VAL A 71 3.286 0.112 -3.326 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.949 -0.474 -1.031 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.449 -1.719 -2.201 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.648 -0.576 -1.551 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.810 1.897 -1.714 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.503 1.891 -2.263 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.206 2.376 -3.382 1.00 0.00 H new ATOM 1000 N THR A 72 6.192 -2.167 -4.836 1.00 0.00 N ATOM 1001 CA THR A 72 6.167 -3.567 -5.240 1.00 0.00 C ATOM 1002 C THR A 72 6.254 -4.492 -4.030 1.00 0.00 C ATOM 1003 O THR A 72 7.011 -4.234 -3.094 1.00 0.00 O ATOM 1004 CB THR A 72 7.321 -3.894 -6.205 1.00 0.00 C ATOM 1005 OG1 THR A 72 8.571 -3.506 -5.625 1.00 0.00 O ATOM 1006 CG2 THR A 72 7.132 -3.182 -7.537 1.00 0.00 C ATOM 0 H THR A 72 7.128 -1.775 -4.731 1.00 0.00 H new ATOM 0 HA THR A 72 5.218 -3.730 -5.751 1.00 0.00 H new ATOM 0 HB THR A 72 7.322 -4.969 -6.382 1.00 0.00 H new ATOM 0 HG1 THR A 72 9.299 -3.719 -6.245 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.960 -3.429 -8.202 1.00 0.00 H new ATOM 0 HG22 THR A 72 6.194 -3.502 -7.991 1.00 0.00 H new ATOM 0 HG23 THR A 72 7.107 -2.105 -7.373 1.00 0.00 H new ATOM 1014 N TYR A 73 5.476 -5.568 -4.056 1.00 0.00 N ATOM 1015 CA TYR A 73 5.465 -6.529 -2.961 1.00 0.00 C ATOM 1016 C TYR A 73 4.904 -7.872 -3.420 1.00 0.00 C ATOM 1017 O TYR A 73 4.350 -7.986 -4.515 1.00 0.00 O ATOM 1018 CB TYR A 73 4.638 -5.992 -1.791 1.00 0.00 C ATOM 1019 CG TYR A 73 3.162 -6.299 -1.902 1.00 0.00 C ATOM 1020 CD1 TYR A 73 2.636 -7.475 -1.384 1.00 0.00 C ATOM 1021 CD2 TYR A 73 2.293 -5.410 -2.524 1.00 0.00 C ATOM 1022 CE1 TYR A 73 1.288 -7.760 -1.484 1.00 0.00 C ATOM 1023 CE2 TYR A 73 0.943 -5.685 -2.627 1.00 0.00 C ATOM 1024 CZ TYR A 73 0.446 -6.861 -2.105 1.00 0.00 C ATOM 1025 OH TYR A 73 -0.899 -7.141 -2.206 1.00 0.00 O ATOM 0 H TYR A 73 4.845 -5.796 -4.824 1.00 0.00 H new ATOM 0 HA TYR A 73 6.494 -6.678 -2.632 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.020 -6.416 -0.862 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.772 -4.912 -1.727 1.00 0.00 H new ATOM 0 HD1 TYR A 73 3.292 -8.179 -0.894 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.680 -4.489 -2.934 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.896 -8.681 -1.078 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.281 -4.984 -3.113 1.00 0.00 H new ATOM 0 HH TYR A 73 -1.321 -6.502 -2.817 1.00 0.00 H new ATOM 1035 N THR A 74 5.051 -8.887 -2.575 1.00 0.00 N ATOM 1036 CA THR A 74 4.560 -10.223 -2.893 1.00 0.00 C ATOM 1037 C THR A 74 4.099 -10.952 -1.636 1.00 0.00 C ATOM 1038 O THR A 74 4.885 -11.247 -0.736 1.00 0.00 O ATOM 1039 CB THR A 74 5.642 -11.067 -3.594 1.00 0.00 C ATOM 1040 OG1 THR A 74 6.072 -10.413 -4.793 1.00 0.00 O ATOM 1041 CG2 THR A 74 5.115 -12.455 -3.926 1.00 0.00 C ATOM 0 H THR A 74 5.506 -8.810 -1.665 1.00 0.00 H new ATOM 0 HA THR A 74 3.714 -10.097 -3.568 1.00 0.00 H new ATOM 0 HB THR A 74 6.488 -11.171 -2.915 1.00 0.00 H new ATOM 0 HG1 THR A 74 6.761 -10.955 -5.232 1.00 0.00 H new ATOM 0 HG21 THR A 74 5.896 -13.032 -4.420 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.817 -12.960 -3.007 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.254 -12.368 -4.589 1.00 0.00 H new ATOM 1049 N PRO A 75 2.793 -11.251 -1.571 1.00 0.00 N ATOM 1050 CA PRO A 75 2.197 -11.951 -0.429 1.00 0.00 C ATOM 1051 C PRO A 75 2.636 -13.410 -0.350 1.00 0.00 C ATOM 1052 O PRO A 75 2.096 -14.268 -1.047 1.00 0.00 O ATOM 1053 CB PRO A 75 0.694 -11.859 -0.701 1.00 0.00 C ATOM 1054 CG PRO A 75 0.585 -11.710 -2.179 1.00 0.00 C ATOM 1055 CD PRO A 75 1.798 -10.930 -2.607 1.00 0.00 C ATOM 0 HA PRO A 75 2.499 -11.511 0.521 1.00 0.00 H new ATOM 0 HB2 PRO A 75 0.173 -12.751 -0.354 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.249 -11.009 -0.184 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.554 -12.684 -2.668 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.332 -11.187 -2.452 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.139 -11.229 -3.598 1.00 0.00 H new ATOM 0 HD3 PRO A 75 1.593 -9.860 -2.650 1.00 0.00 H new ATOM 1063 N SER A 76 3.618 -13.682 0.504 1.00 0.00 N ATOM 1064 CA SER A 76 4.131 -15.037 0.672 1.00 0.00 C ATOM 1065 C SER A 76 3.010 -16.062 0.541 1.00 0.00 C ATOM 1066 O SER A 76 3.096 -16.994 -0.258 1.00 0.00 O ATOM 1067 CB SER A 76 4.814 -15.181 2.033 1.00 0.00 C ATOM 1068 OG SER A 76 5.402 -16.463 2.175 1.00 0.00 O ATOM 0 H SER A 76 4.074 -12.983 1.090 1.00 0.00 H new ATOM 0 HA SER A 76 4.862 -15.223 -0.115 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.579 -14.412 2.143 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.085 -15.021 2.828 1.00 0.00 H new ATOM 0 HG SER A 76 5.833 -16.530 3.052 1.00 0.00 H new ATOM 1074 N GLN A 77 1.957 -15.883 1.334 1.00 0.00 N ATOM 1075 CA GLN A 77 0.818 -16.793 1.309 1.00 0.00 C ATOM 1076 C GLN A 77 -0.490 -16.024 1.152 1.00 0.00 C ATOM 1077 O GLN A 77 -0.496 -14.795 1.110 1.00 0.00 O ATOM 1078 CB GLN A 77 0.780 -17.633 2.587 1.00 0.00 C ATOM 1079 CG GLN A 77 0.781 -16.802 3.860 1.00 0.00 C ATOM 1080 CD GLN A 77 1.438 -17.518 5.023 1.00 0.00 C ATOM 1081 OE1 GLN A 77 2.445 -18.207 4.854 1.00 0.00 O ATOM 1082 NE2 GLN A 77 0.872 -17.358 6.214 1.00 0.00 N ATOM 0 H GLN A 77 1.870 -15.116 2.001 1.00 0.00 H new ATOM 0 HA GLN A 77 0.934 -17.456 0.451 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.111 -18.261 2.573 1.00 0.00 H new ATOM 0 HB3 GLN A 77 1.641 -18.302 2.598 1.00 0.00 H new ATOM 0 HG2 GLN A 77 1.302 -15.862 3.676 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.246 -16.551 4.126 1.00 0.00 H new ATOM 0 HE21 GLN A 77 0.038 -16.778 6.309 1.00 0.00 H new ATOM 0 HE22 GLN A 77 1.271 -17.815 7.034 1.00 0.00 H new ATOM 1091 N GLU A 78 -1.595 -16.758 1.066 1.00 0.00 N ATOM 1092 CA GLU A 78 -2.909 -16.144 0.912 1.00 0.00 C ATOM 1093 C GLU A 78 -3.522 -15.825 2.273 1.00 0.00 C ATOM 1094 O GLU A 78 -3.050 -16.299 3.305 1.00 0.00 O ATOM 1095 CB GLU A 78 -3.839 -17.068 0.125 1.00 0.00 C ATOM 1096 CG GLU A 78 -4.142 -18.377 0.835 1.00 0.00 C ATOM 1097 CD GLU A 78 -3.037 -19.401 0.665 1.00 0.00 C ATOM 1098 OE1 GLU A 78 -2.604 -19.620 -0.486 1.00 0.00 O ATOM 1099 OE2 GLU A 78 -2.606 -19.985 1.680 1.00 0.00 O ATOM 0 H GLU A 78 -1.607 -17.777 1.100 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.785 -15.212 0.361 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.775 -16.546 -0.071 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.387 -17.286 -0.843 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.293 -18.184 1.897 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.075 -18.788 0.450 1.00 0.00 H new ATOM 1106 N GLY A 79 -4.579 -15.017 2.265 1.00 0.00 N ATOM 1107 CA GLY A 79 -5.238 -14.646 3.503 1.00 0.00 C ATOM 1108 C GLY A 79 -5.442 -13.150 3.627 1.00 0.00 C ATOM 1109 O GLY A 79 -4.963 -12.366 2.807 1.00 0.00 O ATOM 0 H GLY A 79 -4.990 -14.613 1.423 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.204 -15.147 3.561 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.645 -15.000 4.346 1.00 0.00 H new ATOM 1113 N PRO A 80 -6.170 -12.732 4.673 1.00 0.00 N ATOM 1114 CA PRO A 80 -6.453 -11.316 4.925 1.00 0.00 C ATOM 1115 C PRO A 80 -5.211 -10.544 5.357 1.00 0.00 C ATOM 1116 O PRO A 80 -4.886 -10.486 6.543 1.00 0.00 O ATOM 1117 CB PRO A 80 -7.479 -11.356 6.061 1.00 0.00 C ATOM 1118 CG PRO A 80 -7.225 -12.649 6.756 1.00 0.00 C ATOM 1119 CD PRO A 80 -6.773 -13.610 5.689 1.00 0.00 C ATOM 0 HA PRO A 80 -6.807 -10.806 4.029 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.353 -10.511 6.738 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -8.498 -11.307 5.676 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -6.463 -12.535 7.527 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -8.127 -13.010 7.250 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -6.053 -14.331 6.076 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -7.608 -14.181 5.282 1.00 0.00 H new ATOM 1127 N TYR A 81 -4.521 -9.953 4.388 1.00 0.00 N ATOM 1128 CA TYR A 81 -3.313 -9.187 4.667 1.00 0.00 C ATOM 1129 C TYR A 81 -3.641 -7.712 4.883 1.00 0.00 C ATOM 1130 O TYR A 81 -4.622 -7.198 4.346 1.00 0.00 O ATOM 1131 CB TYR A 81 -2.312 -9.336 3.521 1.00 0.00 C ATOM 1132 CG TYR A 81 -1.354 -10.491 3.700 1.00 0.00 C ATOM 1133 CD1 TYR A 81 -1.824 -11.789 3.866 1.00 0.00 C ATOM 1134 CD2 TYR A 81 0.020 -10.287 3.704 1.00 0.00 C ATOM 1135 CE1 TYR A 81 -0.953 -12.848 4.031 1.00 0.00 C ATOM 1136 CE2 TYR A 81 0.899 -11.341 3.866 1.00 0.00 C ATOM 1137 CZ TYR A 81 0.407 -12.619 4.030 1.00 0.00 C ATOM 1138 OH TYR A 81 1.279 -13.671 4.193 1.00 0.00 O ATOM 0 H TYR A 81 -4.778 -9.990 3.402 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.868 -9.580 5.581 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -2.859 -9.470 2.587 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.741 -8.413 3.426 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.888 -11.972 3.866 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.408 -9.287 3.578 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -1.335 -13.850 4.160 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.965 -11.165 3.864 1.00 0.00 H new ATOM 0 HH TYR A 81 2.122 -13.471 3.734 1.00 0.00 H new ATOM 1148 N MET A 82 -2.813 -7.037 5.673 1.00 0.00 N ATOM 1149 CA MET A 82 -3.013 -5.621 5.958 1.00 0.00 C ATOM 1150 C MET A 82 -1.814 -4.799 5.496 1.00 0.00 C ATOM 1151 O MET A 82 -0.670 -5.113 5.822 1.00 0.00 O ATOM 1152 CB MET A 82 -3.245 -5.409 7.455 1.00 0.00 C ATOM 1153 CG MET A 82 -3.150 -3.953 7.885 1.00 0.00 C ATOM 1154 SD MET A 82 -1.446 -3.390 8.059 1.00 0.00 S ATOM 1155 CE MET A 82 -1.258 -3.429 9.840 1.00 0.00 C ATOM 0 H MET A 82 -1.997 -7.448 6.127 1.00 0.00 H new ATOM 0 HA MET A 82 -3.894 -5.286 5.410 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.230 -5.794 7.720 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.514 -5.993 8.014 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.662 -3.328 7.153 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.670 -3.824 8.834 1.00 0.00 H new ATOM 0 HE1 MET A 82 -0.341 -2.911 10.120 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.111 -2.936 10.307 1.00 0.00 H new ATOM 0 HE3 MET A 82 -1.208 -4.464 10.178 1.00 0.00 H new ATOM 1165 N VAL A 83 -2.084 -3.744 4.735 1.00 0.00 N ATOM 1166 CA VAL A 83 -1.029 -2.876 4.228 1.00 0.00 C ATOM 1167 C VAL A 83 -1.118 -1.484 4.844 1.00 0.00 C ATOM 1168 O VAL A 83 -1.870 -0.632 4.371 1.00 0.00 O ATOM 1169 CB VAL A 83 -1.091 -2.751 2.694 1.00 0.00 C ATOM 1170 CG1 VAL A 83 -0.058 -1.751 2.197 1.00 0.00 C ATOM 1171 CG2 VAL A 83 -0.888 -4.110 2.040 1.00 0.00 C ATOM 0 H VAL A 83 -3.026 -3.470 4.456 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.081 -3.335 4.509 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.079 -2.384 2.417 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.117 -1.676 1.111 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.255 -0.774 2.639 1.00 0.00 H new ATOM 0 HG13 VAL A 83 0.939 -2.085 2.484 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.935 -4.003 0.956 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.086 -4.508 2.323 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.670 -4.794 2.371 1.00 0.00 H new ATOM 1181 N SER A 84 -0.345 -1.260 5.902 1.00 0.00 N ATOM 1182 CA SER A 84 -0.339 0.028 6.585 1.00 0.00 C ATOM 1183 C SER A 84 0.508 1.043 5.825 1.00 0.00 C ATOM 1184 O SER A 84 1.582 0.717 5.318 1.00 0.00 O ATOM 1185 CB SER A 84 0.191 -0.130 8.012 1.00 0.00 C ATOM 1186 OG SER A 84 0.331 1.129 8.646 1.00 0.00 O ATOM 0 H SER A 84 0.285 -1.954 6.305 1.00 0.00 H new ATOM 0 HA SER A 84 -1.365 0.395 6.624 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.489 -0.757 8.588 1.00 0.00 H new ATOM 0 HB3 SER A 84 1.154 -0.639 7.991 1.00 0.00 H new ATOM 0 HG SER A 84 0.669 1.001 9.557 1.00 0.00 H new ATOM 1192 N VAL A 85 0.017 2.276 5.748 1.00 0.00 N ATOM 1193 CA VAL A 85 0.729 3.341 5.051 1.00 0.00 C ATOM 1194 C VAL A 85 0.692 4.640 5.847 1.00 0.00 C ATOM 1195 O VAL A 85 -0.357 5.042 6.352 1.00 0.00 O ATOM 1196 CB VAL A 85 0.134 3.591 3.653 1.00 0.00 C ATOM 1197 CG1 VAL A 85 0.891 4.702 2.942 1.00 0.00 C ATOM 1198 CG2 VAL A 85 0.150 2.311 2.830 1.00 0.00 C ATOM 0 H VAL A 85 -0.871 2.562 6.160 1.00 0.00 H new ATOM 0 HA VAL A 85 1.763 3.014 4.945 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.903 3.907 3.769 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.457 4.865 1.956 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.822 5.620 3.525 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.938 4.418 2.835 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.274 2.506 1.845 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.177 1.962 2.720 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.441 1.547 3.334 1.00 0.00 H new ATOM 1208 N LYS A 86 1.843 5.294 5.957 1.00 0.00 N ATOM 1209 CA LYS A 86 1.944 6.550 6.690 1.00 0.00 C ATOM 1210 C LYS A 86 2.497 7.657 5.799 1.00 0.00 C ATOM 1211 O LYS A 86 3.014 7.394 4.713 1.00 0.00 O ATOM 1212 CB LYS A 86 2.836 6.376 7.921 1.00 0.00 C ATOM 1213 CG LYS A 86 2.446 7.267 9.087 1.00 0.00 C ATOM 1214 CD LYS A 86 3.144 6.845 10.370 1.00 0.00 C ATOM 1215 CE LYS A 86 2.515 7.503 11.588 1.00 0.00 C ATOM 1216 NZ LYS A 86 3.269 7.197 12.835 1.00 0.00 N ATOM 0 H LYS A 86 2.721 4.974 5.547 1.00 0.00 H new ATOM 0 HA LYS A 86 0.943 6.835 7.013 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.798 5.335 8.242 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.869 6.587 7.643 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.701 8.301 8.857 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.366 7.229 9.230 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.093 5.761 10.474 1.00 0.00 H new ATOM 0 HD3 LYS A 86 4.200 7.111 10.316 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.480 8.582 11.440 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.485 7.162 11.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.809 7.664 13.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.281 6.169 12.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.245 7.545 12.745 1.00 0.00 H new ATOM 1230 N TYR A 87 2.389 8.896 6.267 1.00 0.00 N ATOM 1231 CA TYR A 87 2.878 10.043 5.512 1.00 0.00 C ATOM 1232 C TYR A 87 3.220 11.202 6.442 1.00 0.00 C ATOM 1233 O TYR A 87 2.333 11.876 6.966 1.00 0.00 O ATOM 1234 CB TYR A 87 1.835 10.489 4.486 1.00 0.00 C ATOM 1235 CG TYR A 87 2.418 11.256 3.322 1.00 0.00 C ATOM 1236 CD1 TYR A 87 3.162 10.610 2.343 1.00 0.00 C ATOM 1237 CD2 TYR A 87 2.225 12.627 3.200 1.00 0.00 C ATOM 1238 CE1 TYR A 87 3.699 11.306 1.277 1.00 0.00 C ATOM 1239 CE2 TYR A 87 2.757 13.331 2.137 1.00 0.00 C ATOM 1240 CZ TYR A 87 3.493 12.667 1.179 1.00 0.00 C ATOM 1241 OH TYR A 87 4.024 13.365 0.118 1.00 0.00 O ATOM 0 H TYR A 87 1.967 9.131 7.165 1.00 0.00 H new ATOM 0 HA TYR A 87 3.785 9.740 4.989 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.313 9.611 4.106 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.091 11.111 4.984 1.00 0.00 H new ATOM 0 HD1 TYR A 87 3.324 9.545 2.416 1.00 0.00 H new ATOM 0 HD2 TYR A 87 1.649 13.151 3.949 1.00 0.00 H new ATOM 0 HE1 TYR A 87 4.276 10.788 0.525 1.00 0.00 H new ATOM 0 HE2 TYR A 87 2.597 14.396 2.057 1.00 0.00 H new ATOM 0 HH TYR A 87 4.993 13.454 0.237 1.00 0.00 H new ATOM 1251 N ALA A 88 4.515 11.429 6.644 1.00 0.00 N ATOM 1252 CA ALA A 88 4.976 12.508 7.509 1.00 0.00 C ATOM 1253 C ALA A 88 4.558 12.268 8.956 1.00 0.00 C ATOM 1254 O ALA A 88 4.114 13.187 9.644 1.00 0.00 O ATOM 1255 CB ALA A 88 4.440 13.844 7.017 1.00 0.00 C ATOM 0 H ALA A 88 5.263 10.880 6.220 1.00 0.00 H new ATOM 0 HA ALA A 88 6.065 12.530 7.472 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.792 14.641 7.672 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.793 14.026 6.002 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.350 13.824 7.024 1.00 0.00 H new ATOM 1261 N ASP A 89 4.702 11.028 9.410 1.00 0.00 N ATOM 1262 CA ASP A 89 4.339 10.667 10.776 1.00 0.00 C ATOM 1263 C ASP A 89 2.843 10.857 11.009 1.00 0.00 C ATOM 1264 O ASP A 89 2.417 11.200 12.111 1.00 0.00 O ATOM 1265 CB ASP A 89 5.134 11.507 11.776 1.00 0.00 C ATOM 1266 CG ASP A 89 6.497 10.914 12.075 1.00 0.00 C ATOM 1267 OD1 ASP A 89 6.589 9.677 12.208 1.00 0.00 O ATOM 1268 OD2 ASP A 89 7.472 11.689 12.177 1.00 0.00 O ATOM 0 H ASP A 89 5.067 10.256 8.853 1.00 0.00 H new ATOM 0 HA ASP A 89 4.581 9.615 10.924 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.258 12.515 11.381 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.568 11.595 12.703 1.00 0.00 H new ATOM 1273 N GLU A 90 2.053 10.632 9.964 1.00 0.00 N ATOM 1274 CA GLU A 90 0.606 10.780 10.056 1.00 0.00 C ATOM 1275 C GLU A 90 -0.104 9.710 9.232 1.00 0.00 C ATOM 1276 O GLU A 90 -0.143 9.782 8.003 1.00 0.00 O ATOM 1277 CB GLU A 90 0.182 12.172 9.580 1.00 0.00 C ATOM 1278 CG GLU A 90 0.734 13.301 10.432 1.00 0.00 C ATOM 1279 CD GLU A 90 -0.191 13.676 11.574 1.00 0.00 C ATOM 1280 OE1 GLU A 90 -1.322 14.130 11.296 1.00 0.00 O ATOM 1281 OE2 GLU A 90 0.215 13.517 12.743 1.00 0.00 O ATOM 0 H GLU A 90 2.391 10.347 9.045 1.00 0.00 H new ATOM 0 HA GLU A 90 0.320 10.658 11.101 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.512 12.311 8.550 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -0.906 12.230 9.577 1.00 0.00 H new ATOM 0 HG2 GLU A 90 1.703 13.006 10.836 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.903 14.176 9.804 1.00 0.00 H new ATOM 1288 N GLU A 91 -0.665 8.719 9.916 1.00 0.00 N ATOM 1289 CA GLU A 91 -1.372 7.633 9.248 1.00 0.00 C ATOM 1290 C GLU A 91 -2.501 8.175 8.376 1.00 0.00 C ATOM 1291 O GLU A 91 -3.493 8.700 8.881 1.00 0.00 O ATOM 1292 CB GLU A 91 -1.936 6.651 10.277 1.00 0.00 C ATOM 1293 CG GLU A 91 -1.013 5.479 10.569 1.00 0.00 C ATOM 1294 CD GLU A 91 -1.249 4.878 11.940 1.00 0.00 C ATOM 1295 OE1 GLU A 91 -0.945 5.554 12.945 1.00 0.00 O ATOM 1296 OE2 GLU A 91 -1.739 3.731 12.009 1.00 0.00 O ATOM 0 H GLU A 91 -0.644 8.645 10.933 1.00 0.00 H new ATOM 0 HA GLU A 91 -0.660 7.110 8.609 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.136 7.186 11.206 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.891 6.269 9.917 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.157 4.710 9.810 1.00 0.00 H new ATOM 0 HG3 GLU A 91 0.023 5.810 10.495 1.00 0.00 H new ATOM 1303 N ILE A 92 -2.341 8.043 7.063 1.00 0.00 N ATOM 1304 CA ILE A 92 -3.346 8.519 6.120 1.00 0.00 C ATOM 1305 C ILE A 92 -4.737 8.028 6.506 1.00 0.00 C ATOM 1306 O ILE A 92 -4.902 6.985 7.139 1.00 0.00 O ATOM 1307 CB ILE A 92 -3.031 8.061 4.683 1.00 0.00 C ATOM 1308 CG1 ILE A 92 -3.045 6.534 4.599 1.00 0.00 C ATOM 1309 CG2 ILE A 92 -1.687 8.611 4.235 1.00 0.00 C ATOM 1310 CD1 ILE A 92 -3.014 6.007 3.180 1.00 0.00 C ATOM 0 H ILE A 92 -1.526 7.611 6.629 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.325 9.608 6.158 1.00 0.00 H new ATOM 0 HB ILE A 92 -3.800 8.450 4.015 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.187 6.140 5.143 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.938 6.159 5.098 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.479 8.279 3.218 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.712 9.700 4.263 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.905 8.249 4.902 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.026 4.917 3.196 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.886 6.371 2.637 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.107 6.353 2.683 1.00 0.00 H new ATOM 1322 N PRO A 93 -5.765 8.796 6.114 1.00 0.00 N ATOM 1323 CA PRO A 93 -7.161 8.458 6.406 1.00 0.00 C ATOM 1324 C PRO A 93 -7.641 7.245 5.618 1.00 0.00 C ATOM 1325 O PRO A 93 -8.812 6.870 5.687 1.00 0.00 O ATOM 1326 CB PRO A 93 -7.927 9.712 5.974 1.00 0.00 C ATOM 1327 CG PRO A 93 -7.058 10.351 4.946 1.00 0.00 C ATOM 1328 CD PRO A 93 -5.644 10.052 5.357 1.00 0.00 C ATOM 0 HA PRO A 93 -7.305 8.192 7.453 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -8.904 9.457 5.564 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -8.100 10.381 6.817 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.269 9.952 3.954 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.232 11.426 4.901 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.990 9.938 4.492 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -5.226 10.851 5.969 1.00 0.00 H new ATOM 1336 N ARG A 94 -6.729 6.633 4.868 1.00 0.00 N ATOM 1337 CA ARG A 94 -7.059 5.461 4.067 1.00 0.00 C ATOM 1338 C ARG A 94 -6.308 4.231 4.567 1.00 0.00 C ATOM 1339 O ARG A 94 -6.470 3.133 4.033 1.00 0.00 O ATOM 1340 CB ARG A 94 -6.725 5.712 2.595 1.00 0.00 C ATOM 1341 CG ARG A 94 -7.652 6.713 1.923 1.00 0.00 C ATOM 1342 CD ARG A 94 -7.208 7.013 0.499 1.00 0.00 C ATOM 1343 NE ARG A 94 -8.333 7.379 -0.358 1.00 0.00 N ATOM 1344 CZ ARG A 94 -8.900 8.581 -0.354 1.00 0.00 C ATOM 1345 NH1 ARG A 94 -8.450 9.526 0.459 1.00 0.00 N ATOM 1346 NH2 ARG A 94 -9.919 8.837 -1.164 1.00 0.00 N ATOM 0 H ARG A 94 -5.756 6.930 4.799 1.00 0.00 H new ATOM 0 HA ARG A 94 -8.129 5.276 4.164 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -5.699 6.072 2.520 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -6.771 4.767 2.054 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -8.669 6.320 1.913 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -7.673 7.637 2.501 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -6.481 7.825 0.509 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -6.705 6.139 0.084 1.00 0.00 H new ATOM 0 HE ARG A 94 -8.704 6.673 -0.994 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -7.667 9.331 1.083 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -8.887 10.448 0.460 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -10.268 8.111 -1.790 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -10.354 9.760 -1.161 1.00 0.00 H new ATOM 1360 N SER A 95 -5.486 4.422 5.593 1.00 0.00 N ATOM 1361 CA SER A 95 -4.707 3.329 6.162 1.00 0.00 C ATOM 1362 C SER A 95 -5.168 3.015 7.582 1.00 0.00 C ATOM 1363 O SER A 95 -5.703 3.867 8.291 1.00 0.00 O ATOM 1364 CB SER A 95 -3.219 3.683 6.164 1.00 0.00 C ATOM 1365 OG SER A 95 -2.555 3.091 7.268 1.00 0.00 O ATOM 0 H SER A 95 -5.342 5.324 6.048 1.00 0.00 H new ATOM 0 HA SER A 95 -4.862 2.445 5.544 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.760 3.344 5.235 1.00 0.00 H new ATOM 0 HB3 SER A 95 -3.100 4.766 6.202 1.00 0.00 H new ATOM 0 HG SER A 95 -1.810 3.664 7.547 1.00 0.00 H new ATOM 1371 N PRO A 96 -4.955 1.761 8.009 1.00 0.00 N ATOM 1372 CA PRO A 96 -4.319 0.738 7.174 1.00 0.00 C ATOM 1373 C PRO A 96 -5.209 0.298 6.018 1.00 0.00 C ATOM 1374 O PRO A 96 -6.343 0.760 5.882 1.00 0.00 O ATOM 1375 CB PRO A 96 -4.091 -0.422 8.146 1.00 0.00 C ATOM 1376 CG PRO A 96 -5.126 -0.239 9.203 1.00 0.00 C ATOM 1377 CD PRO A 96 -5.320 1.246 9.339 1.00 0.00 C ATOM 0 HA PRO A 96 -3.406 1.104 6.705 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.201 -1.385 7.647 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.086 -0.394 8.567 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.058 -0.731 8.926 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.802 -0.678 10.147 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.349 1.495 9.598 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -4.685 1.664 10.120 1.00 0.00 H new ATOM 1385 N PHE A 97 -4.691 -0.599 5.185 1.00 0.00 N ATOM 1386 CA PHE A 97 -5.439 -1.101 4.039 1.00 0.00 C ATOM 1387 C PHE A 97 -5.688 -2.602 4.167 1.00 0.00 C ATOM 1388 O PHE A 97 -4.819 -3.350 4.615 1.00 0.00 O ATOM 1389 CB PHE A 97 -4.683 -0.807 2.742 1.00 0.00 C ATOM 1390 CG PHE A 97 -4.662 0.650 2.378 1.00 0.00 C ATOM 1391 CD1 PHE A 97 -3.714 1.500 2.925 1.00 0.00 C ATOM 1392 CD2 PHE A 97 -5.588 1.170 1.487 1.00 0.00 C ATOM 1393 CE1 PHE A 97 -3.693 2.841 2.592 1.00 0.00 C ATOM 1394 CE2 PHE A 97 -5.571 2.510 1.151 1.00 0.00 C ATOM 1395 CZ PHE A 97 -4.621 3.347 1.704 1.00 0.00 C ATOM 0 H PHE A 97 -3.755 -0.993 5.283 1.00 0.00 H new ATOM 0 HA PHE A 97 -6.402 -0.592 4.014 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.658 -1.164 2.840 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.140 -1.370 1.928 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.984 1.110 3.619 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -6.332 0.520 1.050 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.950 3.494 3.027 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -6.299 2.903 0.457 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.604 4.395 1.442 1.00 0.00 H new ATOM 1405 N LYS A 98 -6.880 -3.033 3.770 1.00 0.00 N ATOM 1406 CA LYS A 98 -7.245 -4.443 3.839 1.00 0.00 C ATOM 1407 C LYS A 98 -7.107 -5.108 2.474 1.00 0.00 C ATOM 1408 O LYS A 98 -7.867 -4.816 1.550 1.00 0.00 O ATOM 1409 CB LYS A 98 -8.680 -4.595 4.350 1.00 0.00 C ATOM 1410 CG LYS A 98 -8.858 -4.177 5.799 1.00 0.00 C ATOM 1411 CD LYS A 98 -10.323 -3.965 6.142 1.00 0.00 C ATOM 1412 CE LYS A 98 -10.529 -3.834 7.643 1.00 0.00 C ATOM 1413 NZ LYS A 98 -10.492 -5.156 8.327 1.00 0.00 N ATOM 0 H LYS A 98 -7.610 -2.426 3.397 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.564 -4.935 4.534 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -9.344 -3.999 3.725 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.987 -5.635 4.240 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.437 -4.940 6.453 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.303 -3.257 5.984 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.689 -3.067 5.644 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.911 -4.801 5.764 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -9.757 -3.188 8.060 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -11.487 -3.352 7.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -10.653 -5.024 9.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -11.234 -5.770 7.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -9.563 -5.598 8.178 1.00 0.00 H new ATOM 1427 N VAL A 99 -6.133 -6.004 2.353 1.00 0.00 N ATOM 1428 CA VAL A 99 -5.897 -6.713 1.100 1.00 0.00 C ATOM 1429 C VAL A 99 -6.004 -8.222 1.295 1.00 0.00 C ATOM 1430 O VAL A 99 -5.093 -8.857 1.826 1.00 0.00 O ATOM 1431 CB VAL A 99 -4.511 -6.379 0.519 1.00 0.00 C ATOM 1432 CG1 VAL A 99 -4.237 -7.214 -0.723 1.00 0.00 C ATOM 1433 CG2 VAL A 99 -4.409 -4.894 0.206 1.00 0.00 C ATOM 0 H VAL A 99 -5.494 -6.257 3.107 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.665 -6.384 0.400 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.755 -6.623 1.265 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.253 -6.964 -1.120 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.266 -8.272 -0.464 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.996 -7.005 -1.477 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.423 -4.675 -0.204 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.173 -4.622 -0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -4.558 -4.319 1.120 1.00 0.00 H new ATOM 1443 N LYS A 100 -7.124 -8.791 0.859 1.00 0.00 N ATOM 1444 CA LYS A 100 -7.351 -10.225 0.982 1.00 0.00 C ATOM 1445 C LYS A 100 -6.662 -10.985 -0.148 1.00 0.00 C ATOM 1446 O LYS A 100 -7.144 -11.005 -1.280 1.00 0.00 O ATOM 1447 CB LYS A 100 -8.852 -10.528 0.971 1.00 0.00 C ATOM 1448 CG LYS A 100 -9.174 -12.008 1.063 1.00 0.00 C ATOM 1449 CD LYS A 100 -10.666 -12.264 0.926 1.00 0.00 C ATOM 1450 CE LYS A 100 -11.024 -13.692 1.307 1.00 0.00 C ATOM 1451 NZ LYS A 100 -11.307 -13.824 2.763 1.00 0.00 N ATOM 0 H LYS A 100 -7.888 -8.280 0.417 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.926 -10.554 1.930 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -9.325 -10.009 1.805 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.289 -10.126 0.057 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.638 -12.547 0.282 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.823 -12.399 2.018 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -11.215 -11.568 1.561 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -10.976 -12.072 -0.101 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -11.896 -14.012 0.737 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -10.204 -14.357 1.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -11.547 -14.812 2.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.466 -13.543 3.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -12.106 -13.209 3.019 1.00 0.00 H new ATOM 1465 N VAL A 101 -5.532 -11.609 0.169 1.00 0.00 N ATOM 1466 CA VAL A 101 -4.777 -12.371 -0.819 1.00 0.00 C ATOM 1467 C VAL A 101 -5.488 -13.675 -1.166 1.00 0.00 C ATOM 1468 O VAL A 101 -6.089 -14.316 -0.302 1.00 0.00 O ATOM 1469 CB VAL A 101 -3.357 -12.691 -0.316 1.00 0.00 C ATOM 1470 CG1 VAL A 101 -2.561 -13.418 -1.389 1.00 0.00 C ATOM 1471 CG2 VAL A 101 -2.647 -11.418 0.117 1.00 0.00 C ATOM 0 H VAL A 101 -5.119 -11.602 1.102 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.706 -11.750 -1.712 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.436 -13.348 0.550 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.561 -13.636 -1.015 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.063 -14.351 -1.645 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.488 -12.789 -2.276 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.645 -11.662 0.470 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.577 -10.734 -0.729 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.209 -10.944 0.921 1.00 0.00 H new ATOM 1481 N LEU A 102 -5.413 -14.063 -2.434 1.00 0.00 N ATOM 1482 CA LEU A 102 -6.048 -15.293 -2.895 1.00 0.00 C ATOM 1483 C LEU A 102 -5.003 -16.333 -3.287 1.00 0.00 C ATOM 1484 O LEU A 102 -3.866 -16.007 -3.628 1.00 0.00 O ATOM 1485 CB LEU A 102 -6.964 -15.001 -4.086 1.00 0.00 C ATOM 1486 CG LEU A 102 -8.270 -14.273 -3.766 1.00 0.00 C ATOM 1487 CD1 LEU A 102 -8.998 -13.895 -5.046 1.00 0.00 C ATOM 1488 CD2 LEU A 102 -9.158 -15.136 -2.880 1.00 0.00 C ATOM 0 H LEU A 102 -4.920 -13.545 -3.161 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.643 -15.695 -2.075 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.407 -14.405 -4.809 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.208 -15.946 -4.571 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.030 -13.358 -3.225 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -9.925 -13.378 -4.798 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.365 -13.239 -5.644 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.226 -14.797 -5.615 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -10.083 -14.602 -2.662 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.390 -16.068 -3.395 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.638 -15.356 -1.948 1.00 0.00 H new ATOM 1500 N PRO A 103 -5.396 -17.614 -3.240 1.00 0.00 N ATOM 1501 CA PRO A 103 -4.508 -18.727 -3.588 1.00 0.00 C ATOM 1502 C PRO A 103 -4.198 -18.776 -5.079 1.00 0.00 C ATOM 1503 O PRO A 103 -5.103 -18.844 -5.911 1.00 0.00 O ATOM 1504 CB PRO A 103 -5.308 -19.963 -3.167 1.00 0.00 C ATOM 1505 CG PRO A 103 -6.732 -19.530 -3.222 1.00 0.00 C ATOM 1506 CD PRO A 103 -6.737 -18.075 -2.842 1.00 0.00 C ATOM 0 HA PRO A 103 -3.538 -18.643 -3.099 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -5.123 -20.802 -3.838 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.032 -20.290 -2.165 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -7.145 -19.674 -4.220 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -7.345 -20.115 -2.536 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -7.522 -17.526 -3.363 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.908 -17.939 -1.774 1.00 0.00 H new ATOM 1514 N THR A 104 -2.911 -18.742 -5.413 1.00 0.00 N ATOM 1515 CA THR A 104 -2.481 -18.781 -6.805 1.00 0.00 C ATOM 1516 C THR A 104 -3.341 -19.741 -7.619 1.00 0.00 C ATOM 1517 O THR A 104 -3.477 -19.589 -8.834 1.00 0.00 O ATOM 1518 CB THR A 104 -1.004 -19.204 -6.925 1.00 0.00 C ATOM 1519 OG1 THR A 104 -0.160 -18.209 -6.338 1.00 0.00 O ATOM 1520 CG2 THR A 104 -0.618 -19.410 -8.382 1.00 0.00 C ATOM 0 H THR A 104 -2.149 -18.688 -4.738 1.00 0.00 H new ATOM 0 HA THR A 104 -2.595 -17.771 -7.200 1.00 0.00 H new ATOM 0 HB THR A 104 -0.874 -20.147 -6.394 1.00 0.00 H new ATOM 0 HG1 THR A 104 -0.710 -17.556 -5.857 1.00 0.00 H new ATOM 0 HG21 THR A 104 0.429 -19.708 -8.442 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.243 -20.190 -8.817 1.00 0.00 H new ATOM 0 HG23 THR A 104 -0.763 -18.480 -8.932 1.00 0.00 H new ATOM 1528 N TYR A 105 -3.921 -20.726 -6.944 1.00 0.00 N ATOM 1529 CA TYR A 105 -4.766 -21.712 -7.606 1.00 0.00 C ATOM 1530 C TYR A 105 -6.242 -21.358 -7.446 1.00 0.00 C ATOM 1531 O TYR A 105 -6.663 -20.854 -6.405 1.00 0.00 O ATOM 1532 CB TYR A 105 -4.501 -23.107 -7.037 1.00 0.00 C ATOM 1533 CG TYR A 105 -3.037 -23.391 -6.786 1.00 0.00 C ATOM 1534 CD1 TYR A 105 -2.112 -23.337 -7.821 1.00 0.00 C ATOM 1535 CD2 TYR A 105 -2.580 -23.710 -5.515 1.00 0.00 C ATOM 1536 CE1 TYR A 105 -0.773 -23.594 -7.597 1.00 0.00 C ATOM 1537 CE2 TYR A 105 -1.243 -23.969 -5.280 1.00 0.00 C ATOM 1538 CZ TYR A 105 -0.344 -23.911 -6.324 1.00 0.00 C ATOM 1539 OH TYR A 105 0.989 -24.168 -6.097 1.00 0.00 O ATOM 0 H TYR A 105 -3.822 -20.863 -5.938 1.00 0.00 H new ATOM 0 HA TYR A 105 -4.522 -21.708 -8.668 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -5.050 -23.219 -6.102 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -4.894 -23.853 -7.728 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -2.445 -23.090 -8.818 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -3.282 -23.757 -4.695 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -0.067 -23.547 -8.413 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -0.904 -24.215 -4.285 1.00 0.00 H new ATOM 0 HH TYR A 105 1.126 -24.374 -5.149 1.00 0.00 H new