USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 693 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 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 91 THR OG1 : rot -95:sc= 1.23 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 MET CE :methyl -123:sc= -0.492 (180deg=-2.54!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -138:sc= -0.0116 (180deg=-0.105) USER MOD Single : A 40 THR OG1 : rot -90:sc= -2.58 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc=-0.00144 X(o=-0.0014,f=0) USER MOD Single : A 72 ASN :FLIP amide:sc= -1 F(o=-2.2!,f=-1) USER MOD Single : A 78 ASN : amide:sc= -0.473 X(o=-0.47,f=0) USER MOD Single : A 79 SER OG : rot 82:sc= 1.29 USER MOD Single : A 80 SER OG : rot 171:sc= -0.0146 USER MOD Single : A 81 HIS : no HD1:sc= -0.0266 X(o=-0.027,f=-0.0078) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN :FLIP amide:sc= 0 F(o=-0.65,f=0) USER MOD Single : A 93 GLN : amide:sc= -0.158 K(o=-0.16,f=-2!) USER MOD Single : A 94 LYS NZ :NH3+ -165:sc= -0.0113 (180deg=-0.171) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 115 N PRO A 12 -3.198 13.274 -6.597 1.00 0.00 N ATOM 116 CA PRO A 12 -3.433 12.678 -5.279 1.00 0.00 C ATOM 117 C PRO A 12 -4.230 11.381 -5.363 1.00 0.00 C ATOM 118 O PRO A 12 -5.065 11.211 -6.252 1.00 0.00 O ATOM 119 CB PRO A 12 -4.237 13.753 -4.542 1.00 0.00 C ATOM 120 CG PRO A 12 -4.908 14.530 -5.622 1.00 0.00 C ATOM 121 CD PRO A 12 -3.962 14.517 -6.791 1.00 0.00 C ATOM 0 HA PRO A 12 -2.501 12.407 -4.782 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -4.965 13.308 -3.864 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.588 14.390 -3.940 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.865 14.081 -5.889 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.114 15.550 -5.298 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.497 14.516 -7.741 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.312 15.392 -6.792 1.00 0.00 H new ATOM 129 N ILE A 13 -3.969 10.470 -4.432 1.00 0.00 N ATOM 130 CA ILE A 13 -4.664 9.189 -4.401 1.00 0.00 C ATOM 131 C ILE A 13 -6.122 9.344 -4.819 1.00 0.00 C ATOM 132 O ILE A 13 -6.850 10.175 -4.275 1.00 0.00 O ATOM 133 CB ILE A 13 -4.608 8.552 -3.000 1.00 0.00 C ATOM 134 CG1 ILE A 13 -3.157 8.282 -2.596 1.00 0.00 C ATOM 135 CG2 ILE A 13 -5.420 7.266 -2.970 1.00 0.00 C ATOM 136 CD1 ILE A 13 -3.017 7.674 -1.218 1.00 0.00 C ATOM 0 H ILE A 13 -3.281 10.595 -3.689 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.153 8.536 -5.109 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.041 9.249 -2.283 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.703 7.613 -3.327 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.599 9.218 -2.630 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.371 6.828 -1.973 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.458 7.485 -3.219 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.014 6.562 -3.696 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.962 7.510 -0.998 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.441 8.351 -0.477 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.547 6.722 -1.185 1.00 0.00 H new ATOM 148 N VAL A 14 -6.543 8.538 -5.787 1.00 0.00 N ATOM 149 CA VAL A 14 -7.916 8.583 -6.277 1.00 0.00 C ATOM 150 C VAL A 14 -8.635 7.263 -6.020 1.00 0.00 C ATOM 151 O VAL A 14 -8.161 6.188 -6.389 1.00 0.00 O ATOM 152 CB VAL A 14 -7.964 8.897 -7.784 1.00 0.00 C ATOM 153 CG1 VAL A 14 -9.375 8.715 -8.322 1.00 0.00 C ATOM 154 CG2 VAL A 14 -7.461 10.307 -8.050 1.00 0.00 C ATOM 0 H VAL A 14 -5.953 7.845 -6.248 1.00 0.00 H new ATOM 0 HA VAL A 14 -8.421 9.380 -5.731 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.309 8.198 -8.305 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.390 8.941 -9.388 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -9.694 7.685 -8.165 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.054 9.389 -7.799 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -7.502 10.512 -9.120 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.088 11.023 -7.519 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.432 10.398 -7.702 1.00 0.00 H new ATOM 164 N PRO A 15 -9.807 7.343 -5.373 1.00 0.00 N ATOM 165 CA PRO A 15 -10.617 6.165 -5.053 1.00 0.00 C ATOM 166 C PRO A 15 -11.235 5.532 -6.296 1.00 0.00 C ATOM 167 O PRO A 15 -11.171 6.094 -7.388 1.00 0.00 O ATOM 168 CB PRO A 15 -11.709 6.723 -4.138 1.00 0.00 C ATOM 169 CG PRO A 15 -11.817 8.161 -4.510 1.00 0.00 C ATOM 170 CD PRO A 15 -10.431 8.592 -4.904 1.00 0.00 C ATOM 0 HA PRO A 15 -10.023 5.374 -4.596 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -12.655 6.203 -4.288 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.444 6.605 -3.087 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -12.518 8.300 -5.333 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -12.187 8.754 -3.673 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -10.453 9.349 -5.688 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.889 9.021 -4.061 1.00 0.00 H new ATOM 178 N GLY A 16 -11.835 4.358 -6.120 1.00 0.00 N ATOM 179 CA GLY A 16 -12.456 3.668 -7.236 1.00 0.00 C ATOM 180 C GLY A 16 -11.447 2.945 -8.105 1.00 0.00 C ATOM 181 O GLY A 16 -11.681 1.813 -8.527 1.00 0.00 O ATOM 0 H GLY A 16 -11.902 3.873 -5.225 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.184 2.951 -6.856 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -13.005 4.387 -7.844 1.00 0.00 H new ATOM 185 N GLN A 17 -10.322 3.600 -8.374 1.00 0.00 N ATOM 186 CA GLN A 17 -9.275 3.012 -9.201 1.00 0.00 C ATOM 187 C GLN A 17 -7.953 2.952 -8.443 1.00 0.00 C ATOM 188 O GLN A 17 -7.763 3.654 -7.451 1.00 0.00 O ATOM 189 CB GLN A 17 -9.101 3.817 -10.490 1.00 0.00 C ATOM 190 CG GLN A 17 -8.577 5.225 -10.262 1.00 0.00 C ATOM 191 CD GLN A 17 -8.570 6.058 -11.529 1.00 0.00 C ATOM 192 OE1 GLN A 17 -7.607 6.036 -12.295 1.00 0.00 O ATOM 193 NE2 GLN A 17 -9.649 6.798 -11.756 1.00 0.00 N ATOM 0 H GLN A 17 -10.112 4.538 -8.031 1.00 0.00 H new ATOM 0 HA GLN A 17 -9.575 1.995 -9.454 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.416 3.286 -11.150 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -10.060 3.874 -11.005 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.192 5.720 -9.510 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.565 5.171 -9.862 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -10.424 6.786 -11.094 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -9.702 7.379 -12.593 1.00 0.00 H new ATOM 202 N GLU A 18 -7.042 2.107 -8.918 1.00 0.00 N ATOM 203 CA GLU A 18 -5.738 1.955 -8.284 1.00 0.00 C ATOM 204 C GLU A 18 -4.755 3.001 -8.802 1.00 0.00 C ATOM 205 O GLU A 18 -4.814 3.401 -9.965 1.00 0.00 O ATOM 206 CB GLU A 18 -5.185 0.551 -8.535 1.00 0.00 C ATOM 207 CG GLU A 18 -5.986 -0.549 -7.858 1.00 0.00 C ATOM 208 CD GLU A 18 -7.097 -1.087 -8.738 1.00 0.00 C ATOM 209 OE1 GLU A 18 -8.186 -0.476 -8.758 1.00 0.00 O ATOM 210 OE2 GLU A 18 -6.879 -2.119 -9.407 1.00 0.00 O ATOM 0 H GLU A 18 -7.183 1.518 -9.739 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.865 2.101 -7.211 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.163 0.365 -9.609 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.154 0.507 -8.183 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.317 -1.365 -7.584 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.415 -0.164 -6.933 1.00 0.00 H new ATOM 217 N MET A 19 -3.853 3.440 -7.931 1.00 0.00 N ATOM 218 CA MET A 19 -2.857 4.439 -8.300 1.00 0.00 C ATOM 219 C MET A 19 -1.521 4.152 -7.622 1.00 0.00 C ATOM 220 O MET A 19 -1.461 3.418 -6.635 1.00 0.00 O ATOM 221 CB MET A 19 -3.343 5.839 -7.922 1.00 0.00 C ATOM 222 CG MET A 19 -3.361 6.093 -6.424 1.00 0.00 C ATOM 223 SD MET A 19 -1.808 6.779 -5.817 1.00 0.00 S ATOM 224 CE MET A 19 -1.833 8.399 -6.581 1.00 0.00 C ATOM 0 H MET A 19 -3.791 3.120 -6.965 1.00 0.00 H new ATOM 0 HA MET A 19 -2.714 4.391 -9.380 1.00 0.00 H new ATOM 0 HB2 MET A 19 -2.701 6.579 -8.400 1.00 0.00 H new ATOM 0 HB3 MET A 19 -4.348 5.985 -8.319 1.00 0.00 H new ATOM 0 HG2 MET A 19 -4.174 6.778 -6.185 1.00 0.00 H new ATOM 0 HG3 MET A 19 -3.569 5.158 -5.903 1.00 0.00 H new ATOM 0 HE1 MET A 19 -0.936 8.529 -7.187 1.00 0.00 H new ATOM 0 HE2 MET A 19 -2.715 8.489 -7.215 1.00 0.00 H new ATOM 0 HE3 MET A 19 -1.863 9.166 -5.807 1.00 0.00 H new ATOM 234 N ILE A 20 -0.453 4.734 -8.157 1.00 0.00 N ATOM 235 CA ILE A 20 0.880 4.540 -7.603 1.00 0.00 C ATOM 236 C ILE A 20 1.387 5.813 -6.932 1.00 0.00 C ATOM 237 O ILE A 20 0.938 6.914 -7.250 1.00 0.00 O ATOM 238 CB ILE A 20 1.885 4.110 -8.688 1.00 0.00 C ATOM 239 CG1 ILE A 20 1.469 2.769 -9.296 1.00 0.00 C ATOM 240 CG2 ILE A 20 3.288 4.022 -8.106 1.00 0.00 C ATOM 241 CD1 ILE A 20 0.476 2.902 -10.430 1.00 0.00 C ATOM 0 H ILE A 20 -0.486 5.344 -8.974 1.00 0.00 H new ATOM 0 HA ILE A 20 0.800 3.747 -6.860 1.00 0.00 H new ATOM 0 HB ILE A 20 1.888 4.861 -9.478 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.357 2.253 -9.660 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.035 2.144 -8.515 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.987 3.717 -8.885 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.582 4.997 -7.716 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.302 3.289 -7.299 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.226 1.912 -10.813 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.429 3.389 -10.066 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.914 3.500 -11.229 1.00 0.00 H new ATOM 253 N ILE A 21 2.325 5.653 -6.005 1.00 0.00 N ATOM 254 CA ILE A 21 2.895 6.790 -5.292 1.00 0.00 C ATOM 255 C ILE A 21 4.394 6.609 -5.078 1.00 0.00 C ATOM 256 O ILE A 21 4.846 5.545 -4.657 1.00 0.00 O ATOM 257 CB ILE A 21 2.214 6.996 -3.926 1.00 0.00 C ATOM 258 CG1 ILE A 21 2.027 5.654 -3.216 1.00 0.00 C ATOM 259 CG2 ILE A 21 0.876 7.699 -4.102 1.00 0.00 C ATOM 260 CD1 ILE A 21 1.245 5.756 -1.925 1.00 0.00 C ATOM 0 H ILE A 21 2.706 4.748 -5.730 1.00 0.00 H new ATOM 0 HA ILE A 21 2.722 7.670 -5.911 1.00 0.00 H new ATOM 0 HB ILE A 21 2.855 7.625 -3.309 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.515 4.965 -3.888 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.006 5.224 -3.005 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.407 7.837 -3.128 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.034 8.671 -4.570 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.227 7.093 -4.734 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.152 4.767 -1.477 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.767 6.419 -1.235 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.252 6.156 -2.132 1.00 0.00 H new ATOM 272 N GLU A 22 5.158 7.657 -5.368 1.00 0.00 N ATOM 273 CA GLU A 22 6.607 7.613 -5.206 1.00 0.00 C ATOM 274 C GLU A 22 7.075 8.672 -4.212 1.00 0.00 C ATOM 275 O GLU A 22 7.013 9.870 -4.491 1.00 0.00 O ATOM 276 CB GLU A 22 7.300 7.822 -6.555 1.00 0.00 C ATOM 277 CG GLU A 22 8.701 7.237 -6.616 1.00 0.00 C ATOM 278 CD GLU A 22 9.546 7.860 -7.710 1.00 0.00 C ATOM 279 OE1 GLU A 22 9.112 7.838 -8.880 1.00 0.00 O ATOM 280 OE2 GLU A 22 10.641 8.371 -7.394 1.00 0.00 O ATOM 0 H GLU A 22 4.799 8.546 -5.716 1.00 0.00 H new ATOM 0 HA GLU A 22 6.874 6.630 -4.817 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.693 7.371 -7.340 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.352 8.890 -6.766 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.194 7.382 -5.655 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.635 6.162 -6.781 1.00 0.00 H new ATOM 287 N ILE A 23 7.543 8.221 -3.053 1.00 0.00 N ATOM 288 CA ILE A 23 8.022 9.129 -2.019 1.00 0.00 C ATOM 289 C ILE A 23 9.522 8.967 -1.797 1.00 0.00 C ATOM 290 O ILE A 23 10.029 7.850 -1.703 1.00 0.00 O ATOM 291 CB ILE A 23 7.290 8.898 -0.684 1.00 0.00 C ATOM 292 CG1 ILE A 23 5.778 9.042 -0.874 1.00 0.00 C ATOM 293 CG2 ILE A 23 7.791 9.872 0.371 1.00 0.00 C ATOM 294 CD1 ILE A 23 4.968 8.465 0.265 1.00 0.00 C ATOM 0 H ILE A 23 7.601 7.233 -2.807 1.00 0.00 H new ATOM 0 HA ILE A 23 7.815 10.141 -2.367 1.00 0.00 H new ATOM 0 HB ILE A 23 7.500 7.884 -0.343 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.533 10.098 -0.985 1.00 0.00 H new ATOM 0 HG13 ILE A 23 5.488 8.549 -1.802 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.264 9.696 1.309 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.860 9.725 0.523 1.00 0.00 H new ATOM 0 HG23 ILE A 23 7.608 10.894 0.039 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.906 8.603 0.062 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.184 7.401 0.363 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.230 8.975 1.192 1.00 0.00 H new ATOM 306 N SER A 24 10.227 10.091 -1.713 1.00 0.00 N ATOM 307 CA SER A 24 11.670 10.075 -1.504 1.00 0.00 C ATOM 308 C SER A 24 12.004 10.113 -0.016 1.00 0.00 C ATOM 309 O SER A 24 11.533 10.983 0.717 1.00 0.00 O ATOM 310 CB SER A 24 12.323 11.261 -2.215 1.00 0.00 C ATOM 311 OG SER A 24 13.726 11.266 -2.017 1.00 0.00 O ATOM 0 H SER A 24 9.822 11.024 -1.787 1.00 0.00 H new ATOM 0 HA SER A 24 12.062 9.149 -1.923 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.103 11.215 -3.282 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.897 12.192 -1.842 1.00 0.00 H new ATOM 0 HG SER A 24 14.119 12.033 -2.483 1.00 0.00 H new ATOM 317 N LYS A 25 12.821 9.162 0.425 1.00 0.00 N ATOM 318 CA LYS A 25 13.221 9.085 1.825 1.00 0.00 C ATOM 319 C LYS A 25 13.997 10.331 2.238 1.00 0.00 C ATOM 320 O LYS A 25 15.165 10.492 1.885 1.00 0.00 O ATOM 321 CB LYS A 25 14.073 7.836 2.065 1.00 0.00 C ATOM 322 CG LYS A 25 13.290 6.538 1.968 1.00 0.00 C ATOM 323 CD LYS A 25 13.904 5.451 2.835 1.00 0.00 C ATOM 324 CE LYS A 25 13.465 4.066 2.386 1.00 0.00 C ATOM 325 NZ LYS A 25 13.740 3.033 3.423 1.00 0.00 N ATOM 0 H LYS A 25 13.219 8.434 -0.168 1.00 0.00 H new ATOM 0 HA LYS A 25 12.318 9.023 2.433 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.886 7.816 1.339 1.00 0.00 H new ATOM 0 HB3 LYS A 25 14.530 7.902 3.052 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.258 6.710 2.275 1.00 0.00 H new ATOM 0 HG3 LYS A 25 13.262 6.205 0.930 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.991 5.521 2.793 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.615 5.606 3.874 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.399 4.079 2.160 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.983 3.802 1.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.426 2.103 3.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 14.761 3.003 3.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.225 3.271 4.295 1.00 0.00 H new ATOM 381 N GLY A 29 13.665 7.995 7.392 1.00 0.00 N ATOM 382 CA GLY A 29 13.045 7.008 6.527 1.00 0.00 C ATOM 383 C GLY A 29 11.533 7.002 6.644 1.00 0.00 C ATOM 384 O GLY A 29 10.973 7.581 7.576 1.00 0.00 O ATOM 0 HA2 GLY A 29 13.325 7.208 5.493 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.429 6.019 6.776 1.00 0.00 H new ATOM 388 N LEU A 30 10.871 6.348 5.696 1.00 0.00 N ATOM 389 CA LEU A 30 9.414 6.271 5.696 1.00 0.00 C ATOM 390 C LEU A 30 8.873 6.190 7.120 1.00 0.00 C ATOM 391 O LEU A 30 7.935 6.901 7.480 1.00 0.00 O ATOM 392 CB LEU A 30 8.948 5.056 4.891 1.00 0.00 C ATOM 393 CG LEU A 30 9.337 5.041 3.413 1.00 0.00 C ATOM 394 CD1 LEU A 30 8.923 3.729 2.765 1.00 0.00 C ATOM 395 CD2 LEU A 30 8.708 6.220 2.684 1.00 0.00 C ATOM 0 H LEU A 30 11.319 5.864 4.918 1.00 0.00 H new ATOM 0 HA LEU A 30 9.027 7.178 5.231 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.350 4.158 5.361 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.862 4.994 4.961 1.00 0.00 H new ATOM 0 HG LEU A 30 10.421 5.131 3.342 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.208 3.737 1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.421 2.901 3.270 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.843 3.607 2.847 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.996 6.193 1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.623 6.161 2.765 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.055 7.151 3.132 1.00 0.00 H new ATOM 407 N GLY A 31 9.472 5.319 7.927 1.00 0.00 N ATOM 408 CA GLY A 31 9.038 5.163 9.303 1.00 0.00 C ATOM 409 C GLY A 31 7.544 4.929 9.416 1.00 0.00 C ATOM 410 O GLY A 31 6.832 5.710 10.050 1.00 0.00 O ATOM 0 H GLY A 31 10.250 4.719 7.652 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.569 4.326 9.756 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.307 6.055 9.869 1.00 0.00 H new ATOM 414 N LEU A 32 7.067 3.853 8.801 1.00 0.00 N ATOM 415 CA LEU A 32 5.648 3.518 8.834 1.00 0.00 C ATOM 416 C LEU A 32 5.428 2.135 9.439 1.00 0.00 C ATOM 417 O LEU A 32 6.370 1.495 9.907 1.00 0.00 O ATOM 418 CB LEU A 32 5.058 3.571 7.424 1.00 0.00 C ATOM 419 CG LEU A 32 5.754 2.704 6.373 1.00 0.00 C ATOM 420 CD1 LEU A 32 5.921 1.280 6.881 1.00 0.00 C ATOM 421 CD2 LEU A 32 4.972 2.719 5.068 1.00 0.00 C ATOM 0 H LEU A 32 7.643 3.197 8.273 1.00 0.00 H new ATOM 0 HA LEU A 32 5.142 4.252 9.460 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.011 3.272 7.478 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.076 4.606 7.083 1.00 0.00 H new ATOM 0 HG LEU A 32 6.744 3.119 6.185 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.418 0.678 6.120 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.523 1.286 7.789 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.941 0.854 7.098 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.481 2.097 4.332 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.969 2.329 5.240 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.905 3.741 4.696 1.00 0.00 H new ATOM 433 N SER A 33 4.180 1.680 9.423 1.00 0.00 N ATOM 434 CA SER A 33 3.836 0.373 9.972 1.00 0.00 C ATOM 435 C SER A 33 2.758 -0.303 9.129 1.00 0.00 C ATOM 436 O SER A 33 1.937 0.365 8.500 1.00 0.00 O ATOM 437 CB SER A 33 3.356 0.513 11.417 1.00 0.00 C ATOM 438 OG SER A 33 3.203 -0.756 12.029 1.00 0.00 O ATOM 0 H SER A 33 3.390 2.196 9.036 1.00 0.00 H new ATOM 0 HA SER A 33 4.731 -0.249 9.953 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.070 1.110 11.984 1.00 0.00 H new ATOM 0 HB3 SER A 33 2.406 1.047 11.438 1.00 0.00 H new ATOM 0 HG SER A 33 2.897 -0.639 12.953 1.00 0.00 H new ATOM 444 N ILE A 34 2.768 -1.632 9.123 1.00 0.00 N ATOM 445 CA ILE A 34 1.792 -2.399 8.359 1.00 0.00 C ATOM 446 C ILE A 34 1.320 -3.620 9.140 1.00 0.00 C ATOM 447 O ILE A 34 1.815 -3.902 10.232 1.00 0.00 O ATOM 448 CB ILE A 34 2.370 -2.859 7.008 1.00 0.00 C ATOM 449 CG1 ILE A 34 3.572 -3.779 7.230 1.00 0.00 C ATOM 450 CG2 ILE A 34 2.764 -1.657 6.163 1.00 0.00 C ATOM 451 CD1 ILE A 34 3.761 -4.802 6.132 1.00 0.00 C ATOM 0 H ILE A 34 3.441 -2.199 9.638 1.00 0.00 H new ATOM 0 HA ILE A 34 0.945 -1.738 8.176 1.00 0.00 H new ATOM 0 HB ILE A 34 1.603 -3.418 6.473 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.474 -3.172 7.309 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.452 -4.297 8.181 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.171 -1.999 5.211 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.886 -1.037 5.981 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.518 -1.073 6.691 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.631 -5.419 6.356 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.875 -5.434 6.067 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.913 -4.291 5.181 1.00 0.00 H new ATOM 463 N VAL A 35 0.360 -4.344 8.573 1.00 0.00 N ATOM 464 CA VAL A 35 -0.178 -5.538 9.215 1.00 0.00 C ATOM 465 C VAL A 35 -0.839 -6.459 8.196 1.00 0.00 C ATOM 466 O VAL A 35 -1.598 -6.009 7.338 1.00 0.00 O ATOM 467 CB VAL A 35 -1.204 -5.175 10.305 1.00 0.00 C ATOM 468 CG1 VAL A 35 -0.500 -4.849 11.614 1.00 0.00 C ATOM 469 CG2 VAL A 35 -2.072 -4.011 9.853 1.00 0.00 C ATOM 0 H VAL A 35 -0.061 -4.125 7.670 1.00 0.00 H new ATOM 0 HA VAL A 35 0.663 -6.056 9.676 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.850 -6.037 10.472 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.241 -4.595 12.372 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.074 -5.715 11.944 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.171 -4.003 11.465 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.791 -3.768 10.635 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.443 -3.143 9.656 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.605 -4.287 8.943 1.00 0.00 H new ATOM 479 N GLY A 36 -0.546 -7.752 8.296 1.00 0.00 N ATOM 480 CA GLY A 36 -1.121 -8.716 7.377 1.00 0.00 C ATOM 481 C GLY A 36 -0.066 -9.460 6.583 1.00 0.00 C ATOM 482 O GLY A 36 1.130 -9.234 6.761 1.00 0.00 O ATOM 0 H GLY A 36 0.079 -8.149 8.997 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.723 -9.432 7.936 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.793 -8.202 6.690 1.00 0.00 H new ATOM 486 N GLY A 37 -0.509 -10.353 5.702 1.00 0.00 N ATOM 487 CA GLY A 37 0.418 -11.120 4.892 1.00 0.00 C ATOM 488 C GLY A 37 -0.031 -12.555 4.698 1.00 0.00 C ATOM 489 O GLY A 37 -1.134 -12.808 4.213 1.00 0.00 O ATOM 0 H GLY A 37 -1.494 -10.558 5.536 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.527 -10.642 3.919 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.401 -11.111 5.363 1.00 0.00 H new ATOM 493 N LYS A 38 0.826 -13.497 5.076 1.00 0.00 N ATOM 494 CA LYS A 38 0.513 -14.915 4.941 1.00 0.00 C ATOM 495 C LYS A 38 0.177 -15.529 6.297 1.00 0.00 C ATOM 496 O LYS A 38 -0.875 -16.146 6.465 1.00 0.00 O ATOM 497 CB LYS A 38 1.690 -15.661 4.310 1.00 0.00 C ATOM 498 CG LYS A 38 1.818 -15.438 2.813 1.00 0.00 C ATOM 499 CD LYS A 38 2.456 -16.633 2.124 1.00 0.00 C ATOM 500 CE LYS A 38 3.974 -16.537 2.133 1.00 0.00 C ATOM 501 NZ LYS A 38 4.560 -17.149 3.358 1.00 0.00 N ATOM 0 H LYS A 38 1.743 -13.304 5.478 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.358 -15.009 4.293 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.613 -15.345 4.796 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.578 -16.728 4.502 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.832 -15.254 2.386 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.417 -14.547 2.627 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.146 -17.551 2.623 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.100 -16.694 1.095 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.375 -17.035 1.250 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.272 -15.490 2.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.327 -16.544 3.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.823 -17.241 4.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.940 -18.090 3.129 1.00 0.00 H new ATOM 515 N ASP A 39 1.075 -15.355 7.259 1.00 0.00 N ATOM 516 CA ASP A 39 0.873 -15.890 8.601 1.00 0.00 C ATOM 517 C ASP A 39 0.036 -14.935 9.446 1.00 0.00 C ATOM 518 O ASP A 39 0.229 -14.828 10.657 1.00 0.00 O ATOM 519 CB ASP A 39 2.219 -16.145 9.280 1.00 0.00 C ATOM 520 CG ASP A 39 3.259 -16.687 8.318 1.00 0.00 C ATOM 521 OD1 ASP A 39 2.874 -17.393 7.363 1.00 0.00 O ATOM 522 OD2 ASP A 39 4.458 -16.404 8.521 1.00 0.00 O ATOM 0 H ASP A 39 1.951 -14.847 7.135 1.00 0.00 H new ATOM 0 HA ASP A 39 0.336 -16.834 8.512 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.583 -15.216 9.719 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.082 -16.852 10.098 1.00 0.00 H new ATOM 527 N THR A 40 -0.896 -14.242 8.799 1.00 0.00 N ATOM 528 CA THR A 40 -1.761 -13.294 9.490 1.00 0.00 C ATOM 529 C THR A 40 -3.231 -13.596 9.222 1.00 0.00 C ATOM 530 O THR A 40 -3.585 -14.273 8.257 1.00 0.00 O ATOM 531 CB THR A 40 -1.460 -11.845 9.064 1.00 0.00 C ATOM 532 OG1 THR A 40 -1.002 -11.818 7.707 1.00 0.00 O ATOM 533 CG2 THR A 40 -0.411 -11.220 9.971 1.00 0.00 C ATOM 0 H THR A 40 -1.071 -14.320 7.797 1.00 0.00 H new ATOM 0 HA THR A 40 -1.559 -13.400 10.556 1.00 0.00 H new ATOM 0 HB THR A 40 -2.380 -11.267 9.148 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.026 -11.905 7.689 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.215 -10.197 9.650 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.775 -11.215 10.998 1.00 0.00 H new ATOM 0 HG23 THR A 40 0.510 -11.800 9.915 1.00 0.00 H new ATOM 541 N PRO A 41 -4.110 -13.081 10.095 1.00 0.00 N ATOM 542 CA PRO A 41 -5.557 -13.282 9.973 1.00 0.00 C ATOM 543 C PRO A 41 -6.148 -12.530 8.786 1.00 0.00 C ATOM 544 O PRO A 41 -7.340 -12.643 8.497 1.00 0.00 O ATOM 545 CB PRO A 41 -6.105 -12.721 11.288 1.00 0.00 C ATOM 546 CG PRO A 41 -5.086 -11.729 11.730 1.00 0.00 C ATOM 547 CD PRO A 41 -3.759 -12.264 11.269 1.00 0.00 C ATOM 0 HA PRO A 41 -5.810 -14.328 9.802 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.078 -12.251 11.143 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.238 -13.509 12.029 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -5.283 -10.748 11.297 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -5.103 -11.609 12.813 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.070 -11.460 11.008 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.275 -12.860 12.043 1.00 0.00 H new ATOM 555 N LEU A 42 -5.308 -11.762 8.100 1.00 0.00 N ATOM 556 CA LEU A 42 -5.748 -10.991 6.942 1.00 0.00 C ATOM 557 C LEU A 42 -4.825 -11.225 5.750 1.00 0.00 C ATOM 558 O LEU A 42 -3.612 -11.042 5.846 1.00 0.00 O ATOM 559 CB LEU A 42 -5.791 -9.501 7.284 1.00 0.00 C ATOM 560 CG LEU A 42 -4.559 -8.939 7.993 1.00 0.00 C ATOM 561 CD1 LEU A 42 -4.432 -7.445 7.739 1.00 0.00 C ATOM 562 CD2 LEU A 42 -4.625 -9.224 9.486 1.00 0.00 C ATOM 0 H LEU A 42 -4.319 -11.657 8.326 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.750 -11.325 6.673 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.941 -8.941 6.361 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.662 -9.318 7.913 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.675 -9.432 7.589 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.549 -7.063 8.252 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.336 -7.265 6.668 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.319 -6.935 8.115 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.739 -8.816 9.974 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.517 -8.759 9.906 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.666 -10.301 9.649 1.00 0.00 H new ATOM 574 N ASN A 43 -5.409 -11.629 4.626 1.00 0.00 N ATOM 575 CA ASN A 43 -4.639 -11.886 3.415 1.00 0.00 C ATOM 576 C ASN A 43 -4.435 -10.601 2.617 1.00 0.00 C ATOM 577 O ASN A 43 -4.446 -10.614 1.387 1.00 0.00 O ATOM 578 CB ASN A 43 -5.347 -12.930 2.548 1.00 0.00 C ATOM 579 CG ASN A 43 -5.317 -14.313 3.169 1.00 0.00 C ATOM 580 OD1 ASN A 43 -6.206 -14.680 3.937 1.00 0.00 O ATOM 581 ND2 ASN A 43 -4.290 -15.087 2.839 1.00 0.00 N ATOM 0 H ASN A 43 -6.412 -11.785 4.529 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.662 -12.269 3.710 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -6.382 -12.627 2.392 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.874 -12.965 1.567 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -4.215 -16.028 3.226 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.576 -14.741 2.198 1.00 0.00 H new ATOM 588 N ALA A 44 -4.248 -9.493 3.328 1.00 0.00 N ATOM 589 CA ALA A 44 -4.039 -8.201 2.687 1.00 0.00 C ATOM 590 C ALA A 44 -3.179 -7.290 3.557 1.00 0.00 C ATOM 591 O ALA A 44 -3.330 -7.259 4.779 1.00 0.00 O ATOM 592 CB ALA A 44 -5.375 -7.538 2.386 1.00 0.00 C ATOM 0 H ALA A 44 -4.237 -9.465 4.348 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.511 -8.370 1.749 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.203 -6.574 1.907 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.956 -8.176 1.719 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.925 -7.389 3.315 1.00 0.00 H new ATOM 598 N ILE A 45 -2.276 -6.552 2.920 1.00 0.00 N ATOM 599 CA ILE A 45 -1.393 -5.640 3.637 1.00 0.00 C ATOM 600 C ILE A 45 -2.081 -4.307 3.908 1.00 0.00 C ATOM 601 O ILE A 45 -2.584 -3.658 2.991 1.00 0.00 O ATOM 602 CB ILE A 45 -0.092 -5.384 2.852 1.00 0.00 C ATOM 603 CG1 ILE A 45 0.519 -6.707 2.388 1.00 0.00 C ATOM 604 CG2 ILE A 45 0.898 -4.608 3.708 1.00 0.00 C ATOM 605 CD1 ILE A 45 1.056 -7.555 3.520 1.00 0.00 C ATOM 0 H ILE A 45 -2.137 -6.568 1.910 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.148 -6.118 4.585 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.328 -4.787 1.971 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.236 -7.276 1.845 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.327 -6.499 1.686 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.812 -4.435 3.140 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.461 -3.651 3.993 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.131 -5.182 4.605 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.474 -8.477 3.117 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.834 -7.005 4.049 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.247 -7.794 4.211 1.00 0.00 H new ATOM 617 N VAL A 46 -2.098 -3.903 5.174 1.00 0.00 N ATOM 618 CA VAL A 46 -2.722 -2.645 5.567 1.00 0.00 C ATOM 619 C VAL A 46 -1.796 -1.828 6.462 1.00 0.00 C ATOM 620 O VAL A 46 -1.125 -2.373 7.339 1.00 0.00 O ATOM 621 CB VAL A 46 -4.052 -2.885 6.305 1.00 0.00 C ATOM 622 CG1 VAL A 46 -4.871 -1.604 6.359 1.00 0.00 C ATOM 623 CG2 VAL A 46 -4.838 -4.002 5.637 1.00 0.00 C ATOM 0 H VAL A 46 -1.687 -4.429 5.945 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.919 -2.089 4.650 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.830 -3.190 7.328 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.807 -1.793 6.884 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.308 -0.834 6.887 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.085 -1.266 5.345 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.775 -4.158 6.172 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.051 -3.729 4.603 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.252 -4.921 5.656 1.00 0.00 H new ATOM 633 N ILE A 47 -1.766 -0.520 6.235 1.00 0.00 N ATOM 634 CA ILE A 47 -0.924 0.373 7.022 1.00 0.00 C ATOM 635 C ILE A 47 -1.518 0.611 8.406 1.00 0.00 C ATOM 636 O ILE A 47 -2.405 1.448 8.577 1.00 0.00 O ATOM 637 CB ILE A 47 -0.729 1.729 6.319 1.00 0.00 C ATOM 638 CG1 ILE A 47 -0.042 1.533 4.966 1.00 0.00 C ATOM 639 CG2 ILE A 47 0.080 2.670 7.199 1.00 0.00 C ATOM 640 CD1 ILE A 47 -0.017 2.783 4.115 1.00 0.00 C ATOM 0 H ILE A 47 -2.315 -0.054 5.512 1.00 0.00 H new ATOM 0 HA ILE A 47 0.045 -0.116 7.124 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.708 2.176 6.146 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.981 1.196 5.132 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.554 0.741 4.419 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.210 3.624 6.688 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.446 2.830 8.140 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.057 2.230 7.400 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.485 2.571 3.171 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.038 3.109 3.918 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.520 3.571 4.642 1.00 0.00 H new ATOM 652 N HIS A 48 -1.024 -0.130 9.392 1.00 0.00 N ATOM 653 CA HIS A 48 -1.504 0.002 10.763 1.00 0.00 C ATOM 654 C HIS A 48 -1.476 1.460 11.211 1.00 0.00 C ATOM 655 O HIS A 48 -2.488 2.003 11.652 1.00 0.00 O ATOM 656 CB HIS A 48 -0.656 -0.850 11.708 1.00 0.00 C ATOM 657 CG HIS A 48 -1.249 -1.000 13.075 1.00 0.00 C ATOM 658 ND1 HIS A 48 -2.296 -1.854 13.351 1.00 0.00 N ATOM 659 CD2 HIS A 48 -0.934 -0.401 14.247 1.00 0.00 C ATOM 660 CE1 HIS A 48 -2.601 -1.772 14.634 1.00 0.00 C ATOM 661 NE2 HIS A 48 -1.790 -0.897 15.200 1.00 0.00 N ATOM 0 H HIS A 48 -0.291 -0.828 9.267 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.535 -0.350 10.795 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -0.520 -1.839 11.269 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.334 -0.403 11.798 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -0.155 0.330 14.404 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.381 -2.326 15.135 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -1.798 -0.632 16.185 1.00 0.00 H new ATOM 670 N GLU A 49 -0.310 2.087 11.094 1.00 0.00 N ATOM 671 CA GLU A 49 -0.151 3.482 11.489 1.00 0.00 C ATOM 672 C GLU A 49 1.028 4.122 10.761 1.00 0.00 C ATOM 673 O GLU A 49 2.058 3.484 10.542 1.00 0.00 O ATOM 674 CB GLU A 49 0.052 3.588 13.002 1.00 0.00 C ATOM 675 CG GLU A 49 -0.015 5.012 13.527 1.00 0.00 C ATOM 676 CD GLU A 49 -0.433 5.078 14.983 1.00 0.00 C ATOM 677 OE1 GLU A 49 -1.425 4.412 15.346 1.00 0.00 O ATOM 678 OE2 GLU A 49 0.232 5.795 15.760 1.00 0.00 O ATOM 0 H GLU A 49 0.538 1.652 10.729 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.060 4.016 11.214 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.707 2.988 13.505 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.020 3.159 13.261 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.961 5.484 13.411 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.720 5.585 12.924 1.00 0.00 H new ATOM 685 N VAL A 50 0.869 5.388 10.388 1.00 0.00 N ATOM 686 CA VAL A 50 1.919 6.116 9.686 1.00 0.00 C ATOM 687 C VAL A 50 2.551 7.173 10.585 1.00 0.00 C ATOM 688 O VAL A 50 2.059 8.297 10.680 1.00 0.00 O ATOM 689 CB VAL A 50 1.376 6.797 8.415 1.00 0.00 C ATOM 690 CG1 VAL A 50 2.452 7.656 7.768 1.00 0.00 C ATOM 691 CG2 VAL A 50 0.851 5.758 7.437 1.00 0.00 C ATOM 0 H VAL A 50 0.023 5.931 10.560 1.00 0.00 H new ATOM 0 HA VAL A 50 2.676 5.385 9.403 1.00 0.00 H new ATOM 0 HB VAL A 50 0.548 7.447 8.697 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.050 8.129 6.872 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.775 8.425 8.470 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.303 7.031 7.498 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.471 6.257 6.545 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.658 5.080 7.158 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.047 5.191 7.906 1.00 0.00 H new ATOM 701 N TYR A 51 3.645 6.804 11.242 1.00 0.00 N ATOM 702 CA TYR A 51 4.344 7.719 12.136 1.00 0.00 C ATOM 703 C TYR A 51 4.641 9.043 11.437 1.00 0.00 C ATOM 704 O TYR A 51 5.338 9.079 10.424 1.00 0.00 O ATOM 705 CB TYR A 51 5.647 7.087 12.629 1.00 0.00 C ATOM 706 CG TYR A 51 5.452 5.753 13.314 1.00 0.00 C ATOM 707 CD1 TYR A 51 4.501 5.597 14.314 1.00 0.00 C ATOM 708 CD2 TYR A 51 6.219 4.650 12.960 1.00 0.00 C ATOM 709 CE1 TYR A 51 4.319 4.380 14.943 1.00 0.00 C ATOM 710 CE2 TYR A 51 6.043 3.429 13.582 1.00 0.00 C ATOM 711 CZ TYR A 51 5.092 3.299 14.573 1.00 0.00 C ATOM 712 OH TYR A 51 4.915 2.085 15.196 1.00 0.00 O ATOM 0 H TYR A 51 4.067 5.878 11.172 1.00 0.00 H new ATOM 0 HA TYR A 51 3.697 7.917 12.991 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.321 6.956 11.782 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.135 7.773 13.321 1.00 0.00 H new ATOM 0 HD1 TYR A 51 3.893 6.441 14.605 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.965 4.749 12.186 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.576 4.276 15.720 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.647 2.581 13.294 1.00 0.00 H new ATOM 0 HH TYR A 51 5.537 1.429 14.818 1.00 0.00 H new ATOM 722 N GLU A 52 4.105 10.128 11.988 1.00 0.00 N ATOM 723 CA GLU A 52 4.312 11.454 11.418 1.00 0.00 C ATOM 724 C GLU A 52 5.779 11.668 11.056 1.00 0.00 C ATOM 725 O GLU A 52 6.122 11.837 9.886 1.00 0.00 O ATOM 726 CB GLU A 52 3.856 12.533 12.402 1.00 0.00 C ATOM 727 CG GLU A 52 2.488 12.265 13.008 1.00 0.00 C ATOM 728 CD GLU A 52 2.563 11.414 14.261 1.00 0.00 C ATOM 729 OE1 GLU A 52 3.663 11.307 14.842 1.00 0.00 O ATOM 730 OE2 GLU A 52 1.520 10.854 14.660 1.00 0.00 O ATOM 0 H GLU A 52 3.525 10.115 12.827 1.00 0.00 H new ATOM 0 HA GLU A 52 3.717 11.527 10.508 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.590 12.615 13.204 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.835 13.495 11.890 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.008 13.214 13.246 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.859 11.765 12.271 1.00 0.00 H new ATOM 737 N GLU A 53 6.640 11.660 12.069 1.00 0.00 N ATOM 738 CA GLU A 53 8.069 11.855 11.858 1.00 0.00 C ATOM 739 C GLU A 53 8.543 11.105 10.615 1.00 0.00 C ATOM 740 O GLU A 53 9.542 11.472 9.999 1.00 0.00 O ATOM 741 CB GLU A 53 8.857 11.384 13.082 1.00 0.00 C ATOM 742 CG GLU A 53 8.887 9.873 13.243 1.00 0.00 C ATOM 743 CD GLU A 53 9.493 9.439 14.563 1.00 0.00 C ATOM 744 OE1 GLU A 53 8.752 9.392 15.568 1.00 0.00 O ATOM 745 OE2 GLU A 53 10.706 9.146 14.592 1.00 0.00 O ATOM 0 H GLU A 53 6.373 11.521 13.043 1.00 0.00 H new ATOM 0 HA GLU A 53 8.246 12.920 11.709 1.00 0.00 H new ATOM 0 HB2 GLU A 53 9.880 11.753 13.009 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.421 11.828 13.977 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.872 9.483 13.168 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.458 9.435 12.424 1.00 0.00 H new ATOM 752 N GLY A 54 7.816 10.052 10.254 1.00 0.00 N ATOM 753 CA GLY A 54 8.177 9.267 9.088 1.00 0.00 C ATOM 754 C GLY A 54 8.065 10.057 7.799 1.00 0.00 C ATOM 755 O GLY A 54 7.183 10.903 7.657 1.00 0.00 O ATOM 0 H GLY A 54 6.984 9.729 10.748 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.199 8.904 9.200 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.532 8.390 9.030 1.00 0.00 H new ATOM 759 N ALA A 55 8.962 9.782 6.859 1.00 0.00 N ATOM 760 CA ALA A 55 8.960 10.473 5.575 1.00 0.00 C ATOM 761 C ALA A 55 7.582 10.418 4.925 1.00 0.00 C ATOM 762 O ALA A 55 7.025 11.447 4.541 1.00 0.00 O ATOM 763 CB ALA A 55 10.007 9.871 4.650 1.00 0.00 C ATOM 0 H ALA A 55 9.700 9.085 6.962 1.00 0.00 H new ATOM 0 HA ALA A 55 9.208 11.520 5.753 1.00 0.00 H new ATOM 0 HB1 ALA A 55 9.994 10.397 3.695 1.00 0.00 H new ATOM 0 HB2 ALA A 55 10.993 9.968 5.105 1.00 0.00 H new ATOM 0 HB3 ALA A 55 9.785 8.816 4.487 1.00 0.00 H new ATOM 769 N ALA A 56 7.038 9.212 4.802 1.00 0.00 N ATOM 770 CA ALA A 56 5.725 9.024 4.199 1.00 0.00 C ATOM 771 C ALA A 56 4.739 10.078 4.691 1.00 0.00 C ATOM 772 O ALA A 56 3.912 10.573 3.926 1.00 0.00 O ATOM 773 CB ALA A 56 5.201 7.627 4.499 1.00 0.00 C ATOM 0 H ALA A 56 7.487 8.350 5.112 1.00 0.00 H new ATOM 0 HA ALA A 56 5.829 9.137 3.120 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.219 7.501 4.042 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.889 6.885 4.092 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.119 7.493 5.578 1.00 0.00 H new ATOM 779 N ALA A 57 4.832 10.416 5.973 1.00 0.00 N ATOM 780 CA ALA A 57 3.948 11.412 6.566 1.00 0.00 C ATOM 781 C ALA A 57 4.314 12.817 6.100 1.00 0.00 C ATOM 782 O ALA A 57 3.439 13.624 5.785 1.00 0.00 O ATOM 783 CB ALA A 57 4.002 11.327 8.084 1.00 0.00 C ATOM 0 H ALA A 57 5.510 10.015 6.621 1.00 0.00 H new ATOM 0 HA ALA A 57 2.930 11.202 6.237 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.337 12.076 8.514 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.686 10.334 8.404 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.022 11.510 8.423 1.00 0.00 H new ATOM 789 N ARG A 58 5.611 13.103 6.059 1.00 0.00 N ATOM 790 CA ARG A 58 6.092 14.412 5.633 1.00 0.00 C ATOM 791 C ARG A 58 5.367 14.873 4.372 1.00 0.00 C ATOM 792 O ARG A 58 4.939 16.024 4.275 1.00 0.00 O ATOM 793 CB ARG A 58 7.600 14.368 5.380 1.00 0.00 C ATOM 794 CG ARG A 58 8.412 13.992 6.609 1.00 0.00 C ATOM 795 CD ARG A 58 8.400 15.103 7.647 1.00 0.00 C ATOM 796 NE ARG A 58 7.262 14.990 8.556 1.00 0.00 N ATOM 797 CZ ARG A 58 7.208 15.585 9.742 1.00 0.00 C ATOM 798 NH1 ARG A 58 8.221 16.330 10.161 1.00 0.00 N ATOM 799 NH2 ARG A 58 6.138 15.434 10.513 1.00 0.00 N ATOM 0 H ARG A 58 6.348 12.446 6.316 1.00 0.00 H new ATOM 0 HA ARG A 58 5.886 15.125 6.432 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.806 13.651 4.585 1.00 0.00 H new ATOM 0 HB3 ARG A 58 7.929 15.344 5.022 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.009 13.079 7.047 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.440 13.778 6.316 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.326 15.073 8.220 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.367 16.069 7.144 1.00 0.00 H new ATOM 0 HE ARG A 58 6.466 14.423 8.264 1.00 0.00 H new ATOM 0 HH11 ARG A 58 9.045 16.448 9.572 1.00 0.00 H new ATOM 0 HH12 ARG A 58 8.176 16.786 11.072 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.357 14.861 10.195 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.097 15.891 11.424 1.00 0.00 H new ATOM 813 N ASP A 59 5.235 13.969 3.408 1.00 0.00 N ATOM 814 CA ASP A 59 4.562 14.282 2.152 1.00 0.00 C ATOM 815 C ASP A 59 3.050 14.345 2.347 1.00 0.00 C ATOM 816 O ASP A 59 2.400 15.305 1.935 1.00 0.00 O ATOM 817 CB ASP A 59 4.909 13.239 1.089 1.00 0.00 C ATOM 818 CG ASP A 59 4.804 13.791 -0.319 1.00 0.00 C ATOM 819 OD1 ASP A 59 5.088 14.992 -0.508 1.00 0.00 O ATOM 820 OD2 ASP A 59 4.435 13.022 -1.232 1.00 0.00 O ATOM 0 H ASP A 59 5.585 13.013 3.472 1.00 0.00 H new ATOM 0 HA ASP A 59 4.908 15.260 1.816 1.00 0.00 H new ATOM 0 HB2 ASP A 59 5.922 12.875 1.259 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.241 12.384 1.192 1.00 0.00 H new ATOM 825 N GLY A 60 2.496 13.313 2.977 1.00 0.00 N ATOM 826 CA GLY A 60 1.065 13.270 3.214 1.00 0.00 C ATOM 827 C GLY A 60 0.322 12.505 2.137 1.00 0.00 C ATOM 828 O GLY A 60 -0.782 12.885 1.746 1.00 0.00 O ATOM 0 H GLY A 60 3.013 12.506 3.327 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.874 12.807 4.182 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.678 14.288 3.266 1.00 0.00 H new ATOM 832 N ARG A 61 0.929 11.426 1.654 1.00 0.00 N ATOM 833 CA ARG A 61 0.318 10.608 0.613 1.00 0.00 C ATOM 834 C ARG A 61 -0.329 9.362 1.211 1.00 0.00 C ATOM 835 O ARG A 61 -1.537 9.155 1.083 1.00 0.00 O ATOM 836 CB ARG A 61 1.365 10.203 -0.426 1.00 0.00 C ATOM 837 CG ARG A 61 2.142 11.377 -0.998 1.00 0.00 C ATOM 838 CD ARG A 61 1.246 12.292 -1.818 1.00 0.00 C ATOM 839 NE ARG A 61 0.613 11.585 -2.928 1.00 0.00 N ATOM 840 CZ ARG A 61 0.121 12.194 -4.002 1.00 0.00 C ATOM 841 NH1 ARG A 61 0.191 13.514 -4.110 1.00 0.00 N ATOM 842 NH2 ARG A 61 -0.440 11.482 -4.970 1.00 0.00 N ATOM 0 H ARG A 61 1.843 11.098 1.967 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.457 11.201 0.127 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.065 9.503 0.030 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.870 9.674 -1.241 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.597 11.944 -0.186 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.955 11.007 -1.623 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.477 12.719 -1.174 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.834 13.123 -2.206 1.00 0.00 H new ATOM 0 HE ARG A 61 0.545 10.569 -2.876 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.623 14.064 -3.368 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.187 13.979 -4.935 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.494 10.467 -4.890 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.817 11.950 -5.794 1.00 0.00 H new ATOM 856 N LEU A 62 0.481 8.535 1.862 1.00 0.00 N ATOM 857 CA LEU A 62 -0.013 7.309 2.479 1.00 0.00 C ATOM 858 C LEU A 62 -0.693 7.605 3.812 1.00 0.00 C ATOM 859 O LEU A 62 -0.050 8.048 4.763 1.00 0.00 O ATOM 860 CB LEU A 62 1.137 6.322 2.690 1.00 0.00 C ATOM 861 CG LEU A 62 1.610 5.567 1.447 1.00 0.00 C ATOM 862 CD1 LEU A 62 2.888 4.798 1.743 1.00 0.00 C ATOM 863 CD2 LEU A 62 0.522 4.626 0.948 1.00 0.00 C ATOM 0 H LEU A 62 1.483 8.691 1.976 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.748 6.865 1.808 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.985 6.867 3.104 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.830 5.592 3.439 1.00 0.00 H new ATOM 0 HG LEU A 62 1.822 6.294 0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.209 4.267 0.847 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.668 5.494 2.052 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.704 4.081 2.543 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.876 4.097 0.063 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.278 3.905 1.728 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.369 5.201 0.695 1.00 0.00 H new ATOM 875 N TRP A 63 -1.996 7.356 3.872 1.00 0.00 N ATOM 876 CA TRP A 63 -2.764 7.595 5.089 1.00 0.00 C ATOM 877 C TRP A 63 -3.147 6.279 5.758 1.00 0.00 C ATOM 878 O TRP A 63 -3.532 5.321 5.089 1.00 0.00 O ATOM 879 CB TRP A 63 -4.022 8.405 4.773 1.00 0.00 C ATOM 880 CG TRP A 63 -3.773 9.546 3.833 1.00 0.00 C ATOM 881 CD1 TRP A 63 -2.564 10.096 3.514 1.00 0.00 C ATOM 882 CD2 TRP A 63 -4.757 10.278 3.094 1.00 0.00 C ATOM 883 NE1 TRP A 63 -2.737 11.125 2.620 1.00 0.00 N ATOM 884 CE2 TRP A 63 -4.073 11.257 2.346 1.00 0.00 C ATOM 885 CE3 TRP A 63 -6.148 10.201 2.989 1.00 0.00 C ATOM 886 CZ2 TRP A 63 -4.735 12.150 1.508 1.00 0.00 C ATOM 887 CZ3 TRP A 63 -6.804 11.088 2.157 1.00 0.00 C ATOM 888 CH2 TRP A 63 -6.098 12.052 1.425 1.00 0.00 C ATOM 0 H TRP A 63 -2.543 6.989 3.093 1.00 0.00 H new ATOM 0 HA TRP A 63 -2.138 8.163 5.777 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -4.772 7.744 4.340 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -4.438 8.793 5.702 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -1.612 9.770 3.907 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -1.992 11.698 2.224 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -6.701 9.461 3.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -4.193 12.894 0.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -7.879 11.037 2.069 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -6.640 12.731 0.783 1.00 0.00 H new ATOM 899 N ALA A 64 -3.038 6.240 7.082 1.00 0.00 N ATOM 900 CA ALA A 64 -3.375 5.042 7.841 1.00 0.00 C ATOM 901 C ALA A 64 -4.775 4.548 7.493 1.00 0.00 C ATOM 902 O ALA A 64 -5.773 5.166 7.862 1.00 0.00 O ATOM 903 CB ALA A 64 -3.266 5.315 9.334 1.00 0.00 C ATOM 0 H ALA A 64 -2.719 7.024 7.651 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.665 4.260 7.573 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.520 4.412 9.889 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.246 5.614 9.576 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.953 6.115 9.609 1.00 0.00 H new ATOM 909 N GLY A 65 -4.842 3.428 6.778 1.00 0.00 N ATOM 910 CA GLY A 65 -6.124 2.870 6.392 1.00 0.00 C ATOM 911 C GLY A 65 -6.193 2.544 4.913 1.00 0.00 C ATOM 912 O GLY A 65 -7.261 2.612 4.304 1.00 0.00 O ATOM 0 H GLY A 65 -4.031 2.898 6.460 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -6.311 1.965 6.970 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -6.915 3.577 6.642 1.00 0.00 H new ATOM 916 N ASP A 66 -5.051 2.191 4.333 1.00 0.00 N ATOM 917 CA ASP A 66 -4.985 1.854 2.916 1.00 0.00 C ATOM 918 C ASP A 66 -4.547 0.406 2.722 1.00 0.00 C ATOM 919 O ASP A 66 -4.000 -0.214 3.633 1.00 0.00 O ATOM 920 CB ASP A 66 -4.020 2.793 2.191 1.00 0.00 C ATOM 921 CG ASP A 66 -4.141 2.696 0.683 1.00 0.00 C ATOM 922 OD1 ASP A 66 -3.629 1.713 0.109 1.00 0.00 O ATOM 923 OD2 ASP A 66 -4.747 3.604 0.076 1.00 0.00 O ATOM 0 H ASP A 66 -4.158 2.131 4.823 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.982 1.973 2.493 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.213 3.819 2.503 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.998 2.557 2.486 1.00 0.00 H new ATOM 928 N GLN A 67 -4.792 -0.126 1.529 1.00 0.00 N ATOM 929 CA GLN A 67 -4.425 -1.502 1.217 1.00 0.00 C ATOM 930 C GLN A 67 -3.364 -1.547 0.122 1.00 0.00 C ATOM 931 O GLN A 67 -3.657 -1.306 -1.050 1.00 0.00 O ATOM 932 CB GLN A 67 -5.658 -2.296 0.781 1.00 0.00 C ATOM 933 CG GLN A 67 -6.417 -2.924 1.939 1.00 0.00 C ATOM 934 CD GLN A 67 -7.807 -3.384 1.544 1.00 0.00 C ATOM 935 OE1 GLN A 67 -8.808 -2.874 2.049 1.00 0.00 O ATOM 936 NE2 GLN A 67 -7.875 -4.351 0.637 1.00 0.00 N ATOM 0 H GLN A 67 -5.243 0.375 0.763 1.00 0.00 H new ATOM 0 HA GLN A 67 -4.011 -1.954 2.119 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -6.330 -1.636 0.232 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -5.349 -3.081 0.091 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -5.852 -3.774 2.321 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -6.495 -2.202 2.752 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -7.019 -4.744 0.246 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -8.783 -4.701 0.332 1.00 0.00 H new ATOM 945 N ILE A 68 -2.132 -1.857 0.511 1.00 0.00 N ATOM 946 CA ILE A 68 -1.028 -1.933 -0.438 1.00 0.00 C ATOM 947 C ILE A 68 -1.087 -3.225 -1.246 1.00 0.00 C ATOM 948 O ILE A 68 -1.466 -4.277 -0.730 1.00 0.00 O ATOM 949 CB ILE A 68 0.335 -1.849 0.275 1.00 0.00 C ATOM 950 CG1 ILE A 68 0.394 -0.603 1.161 1.00 0.00 C ATOM 951 CG2 ILE A 68 1.465 -1.836 -0.743 1.00 0.00 C ATOM 952 CD1 ILE A 68 -0.108 -0.838 2.569 1.00 0.00 C ATOM 0 H ILE A 68 -1.873 -2.060 1.477 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.130 -1.081 -1.110 1.00 0.00 H new ATOM 0 HB ILE A 68 0.453 -2.728 0.908 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.423 -0.247 1.206 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.197 0.189 0.701 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.422 -1.776 -0.224 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.431 -2.750 -1.337 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.354 -0.973 -1.399 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.037 0.088 3.140 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.147 -1.164 2.535 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.498 -1.607 3.048 1.00 0.00 H new ATOM 964 N LEU A 69 -0.707 -3.140 -2.516 1.00 0.00 N ATOM 965 CA LEU A 69 -0.714 -4.303 -3.397 1.00 0.00 C ATOM 966 C LEU A 69 0.705 -4.686 -3.804 1.00 0.00 C ATOM 967 O LEU A 69 1.007 -5.863 -4.004 1.00 0.00 O ATOM 968 CB LEU A 69 -1.554 -4.018 -4.643 1.00 0.00 C ATOM 969 CG LEU A 69 -3.025 -3.678 -4.397 1.00 0.00 C ATOM 970 CD1 LEU A 69 -3.614 -2.959 -5.600 1.00 0.00 C ATOM 971 CD2 LEU A 69 -3.819 -4.939 -4.086 1.00 0.00 C ATOM 0 H LEU A 69 -0.390 -2.278 -2.959 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.154 -5.138 -2.852 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.096 -3.190 -5.184 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.507 -4.890 -5.296 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.086 -3.013 -3.536 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.661 -2.725 -5.407 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.063 -2.036 -5.778 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.541 -3.600 -6.479 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.863 -4.678 -3.914 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.751 -5.628 -4.928 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.412 -5.415 -3.194 1.00 0.00 H new ATOM 983 N GLU A 70 1.573 -3.686 -3.921 1.00 0.00 N ATOM 984 CA GLU A 70 2.961 -3.920 -4.303 1.00 0.00 C ATOM 985 C GLU A 70 3.873 -2.843 -3.724 1.00 0.00 C ATOM 986 O GLU A 70 3.405 -1.818 -3.228 1.00 0.00 O ATOM 987 CB GLU A 70 3.096 -3.953 -5.826 1.00 0.00 C ATOM 988 CG GLU A 70 4.319 -4.712 -6.313 1.00 0.00 C ATOM 989 CD GLU A 70 4.250 -5.043 -7.791 1.00 0.00 C ATOM 990 OE1 GLU A 70 3.253 -5.665 -8.213 1.00 0.00 O ATOM 991 OE2 GLU A 70 5.193 -4.680 -8.525 1.00 0.00 O ATOM 0 H GLU A 70 1.340 -2.707 -3.757 1.00 0.00 H new ATOM 0 HA GLU A 70 3.264 -4.885 -3.898 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.202 -4.410 -6.252 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.141 -2.930 -6.200 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.212 -4.118 -6.119 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.420 -5.635 -5.742 1.00 0.00 H new ATOM 998 N VAL A 71 5.179 -3.083 -3.790 1.00 0.00 N ATOM 999 CA VAL A 71 6.158 -2.134 -3.273 1.00 0.00 C ATOM 1000 C VAL A 71 7.512 -2.320 -3.948 1.00 0.00 C ATOM 1001 O VAL A 71 8.074 -3.415 -3.945 1.00 0.00 O ATOM 1002 CB VAL A 71 6.332 -2.281 -1.750 1.00 0.00 C ATOM 1003 CG1 VAL A 71 6.920 -3.641 -1.407 1.00 0.00 C ATOM 1004 CG2 VAL A 71 7.204 -1.161 -1.203 1.00 0.00 C ATOM 0 H VAL A 71 5.583 -3.927 -4.196 1.00 0.00 H new ATOM 0 HA VAL A 71 5.779 -1.136 -3.493 1.00 0.00 H new ATOM 0 HB VAL A 71 5.350 -2.209 -1.282 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.035 -3.725 -0.326 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.253 -4.426 -1.763 1.00 0.00 H new ATOM 0 HG13 VAL A 71 7.894 -3.747 -1.885 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.316 -1.281 -0.125 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.185 -1.199 -1.677 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.736 -0.199 -1.415 1.00 0.00 H new ATOM 1014 N ASN A 72 8.032 -1.242 -4.526 1.00 0.00 N ATOM 1015 CA ASN A 72 9.322 -1.286 -5.206 1.00 0.00 C ATOM 1016 C ASN A 72 9.381 -2.455 -6.185 1.00 0.00 C ATOM 1017 O ASN A 72 10.422 -3.090 -6.346 1.00 0.00 O ATOM 1018 CB ASN A 72 10.456 -1.402 -4.185 1.00 0.00 C ATOM 1019 CG ASN A 72 11.738 -0.752 -4.669 1.00 0.00 C ATOM 1020 OD1 ASN A 72 11.716 0.569 -4.806 1.00 0.00 O flip ATOM 1021 ND2 ASN A 72 12.735 -1.429 -4.917 1.00 0.00 N flip ATOM 0 H ASN A 72 7.580 -0.328 -4.537 1.00 0.00 H new ATOM 0 HA ASN A 72 9.441 -0.359 -5.767 1.00 0.00 H new ATOM 0 HB2 ASN A 72 10.147 -0.937 -3.249 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.643 -2.454 -3.972 1.00 0.00 H new ATOM 0 HD21 ASN A 72 12.707 -2.442 -4.797 1.00 0.00 H new ATOM 0 HD22 ASN A 72 13.590 -0.978 -5.242 1.00 0.00 H new ATOM 1028 N GLY A 73 8.256 -2.732 -6.836 1.00 0.00 N ATOM 1029 CA GLY A 73 8.202 -3.824 -7.791 1.00 0.00 C ATOM 1030 C GLY A 73 8.244 -5.183 -7.121 1.00 0.00 C ATOM 1031 O GLY A 73 8.873 -6.113 -7.626 1.00 0.00 O ATOM 0 H GLY A 73 7.381 -2.220 -6.720 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.289 -3.741 -8.381 1.00 0.00 H new ATOM 0 HA3 GLY A 73 9.039 -3.738 -8.484 1.00 0.00 H new ATOM 1035 N VAL A 74 7.574 -5.299 -5.979 1.00 0.00 N ATOM 1036 CA VAL A 74 7.537 -6.554 -5.238 1.00 0.00 C ATOM 1037 C VAL A 74 6.129 -6.859 -4.742 1.00 0.00 C ATOM 1038 O VAL A 74 5.639 -6.227 -3.806 1.00 0.00 O ATOM 1039 CB VAL A 74 8.499 -6.524 -4.035 1.00 0.00 C ATOM 1040 CG1 VAL A 74 8.391 -7.812 -3.233 1.00 0.00 C ATOM 1041 CG2 VAL A 74 9.928 -6.294 -4.502 1.00 0.00 C ATOM 0 H VAL A 74 7.049 -4.539 -5.547 1.00 0.00 H new ATOM 0 HA VAL A 74 7.853 -7.337 -5.927 1.00 0.00 H new ATOM 0 HB VAL A 74 8.216 -5.696 -3.385 1.00 0.00 H new ATOM 0 HG11 VAL A 74 9.078 -7.773 -2.387 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.371 -7.928 -2.867 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.647 -8.659 -3.869 1.00 0.00 H new ATOM 0 HG21 VAL A 74 10.594 -6.276 -3.639 1.00 0.00 H new ATOM 0 HG22 VAL A 74 10.226 -7.100 -5.173 1.00 0.00 H new ATOM 0 HG23 VAL A 74 9.990 -5.342 -5.029 1.00 0.00 H new ATOM 1051 N ASP A 75 5.482 -7.831 -5.374 1.00 0.00 N ATOM 1052 CA ASP A 75 4.129 -8.222 -4.996 1.00 0.00 C ATOM 1053 C ASP A 75 4.056 -8.560 -3.510 1.00 0.00 C ATOM 1054 O ASP A 75 4.760 -9.449 -3.030 1.00 0.00 O ATOM 1055 CB ASP A 75 3.669 -9.421 -5.828 1.00 0.00 C ATOM 1056 CG ASP A 75 2.182 -9.681 -5.696 1.00 0.00 C ATOM 1057 OD1 ASP A 75 1.404 -8.704 -5.720 1.00 0.00 O ATOM 1058 OD2 ASP A 75 1.795 -10.861 -5.570 1.00 0.00 O ATOM 0 H ASP A 75 5.873 -8.363 -6.151 1.00 0.00 H new ATOM 0 HA ASP A 75 3.466 -7.379 -5.192 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.913 -9.247 -6.876 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.219 -10.309 -5.516 1.00 0.00 H new ATOM 1063 N LEU A 76 3.202 -7.845 -2.787 1.00 0.00 N ATOM 1064 CA LEU A 76 3.037 -8.068 -1.355 1.00 0.00 C ATOM 1065 C LEU A 76 1.813 -8.933 -1.076 1.00 0.00 C ATOM 1066 O LEU A 76 1.837 -9.796 -0.198 1.00 0.00 O ATOM 1067 CB LEU A 76 2.909 -6.731 -0.622 1.00 0.00 C ATOM 1068 CG LEU A 76 4.039 -5.727 -0.855 1.00 0.00 C ATOM 1069 CD1 LEU A 76 3.769 -4.436 -0.099 1.00 0.00 C ATOM 1070 CD2 LEU A 76 5.376 -6.322 -0.439 1.00 0.00 C ATOM 0 H LEU A 76 2.613 -7.105 -3.169 1.00 0.00 H new ATOM 0 HA LEU A 76 3.920 -8.592 -0.990 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.969 -6.265 -0.919 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.842 -6.931 0.447 1.00 0.00 H new ATOM 0 HG LEU A 76 4.082 -5.498 -1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.583 -3.733 -0.276 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.832 -4.000 -0.446 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.698 -4.647 0.968 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.168 -5.593 -0.612 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.346 -6.581 0.619 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.574 -7.219 -1.026 1.00 0.00 H new ATOM 1082 N ARG A 77 0.744 -8.697 -1.829 1.00 0.00 N ATOM 1083 CA ARG A 77 -0.490 -9.456 -1.663 1.00 0.00 C ATOM 1084 C ARG A 77 -0.192 -10.899 -1.265 1.00 0.00 C ATOM 1085 O ARG A 77 -0.914 -11.495 -0.467 1.00 0.00 O ATOM 1086 CB ARG A 77 -1.307 -9.431 -2.956 1.00 0.00 C ATOM 1087 CG ARG A 77 -2.076 -8.136 -3.165 1.00 0.00 C ATOM 1088 CD ARG A 77 -3.310 -8.072 -2.279 1.00 0.00 C ATOM 1089 NE ARG A 77 -4.392 -7.314 -2.901 1.00 0.00 N ATOM 1090 CZ ARG A 77 -5.387 -6.759 -2.218 1.00 0.00 C ATOM 1091 NH1 ARG A 77 -5.437 -6.875 -0.898 1.00 0.00 N ATOM 1092 NH2 ARG A 77 -6.336 -6.084 -2.856 1.00 0.00 N ATOM 0 H ARG A 77 0.707 -7.986 -2.560 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.069 -8.990 -0.866 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.638 -9.587 -3.802 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -2.010 -10.264 -2.948 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.427 -7.287 -2.949 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -2.373 -8.052 -4.211 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -3.654 -9.084 -2.063 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.048 -7.614 -1.325 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.383 -7.205 -3.915 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.710 -7.392 -0.404 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.203 -6.447 -0.377 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.301 -5.991 -3.871 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.100 -5.658 -2.331 1.00 0.00 H new ATOM 1106 N ASN A 78 0.876 -11.454 -1.828 1.00 0.00 N ATOM 1107 CA ASN A 78 1.269 -12.827 -1.534 1.00 0.00 C ATOM 1108 C ASN A 78 2.294 -12.869 -0.404 1.00 0.00 C ATOM 1109 O ASN A 78 2.174 -13.665 0.527 1.00 0.00 O ATOM 1110 CB ASN A 78 1.844 -13.495 -2.784 1.00 0.00 C ATOM 1111 CG ASN A 78 0.771 -13.857 -3.792 1.00 0.00 C ATOM 1112 OD1 ASN A 78 0.532 -15.033 -4.066 1.00 0.00 O ATOM 1113 ND2 ASN A 78 0.117 -12.844 -4.349 1.00 0.00 N ATOM 0 H ASN A 78 1.485 -10.974 -2.491 1.00 0.00 H new ATOM 0 HA ASN A 78 0.380 -13.372 -1.216 1.00 0.00 H new ATOM 0 HB2 ASN A 78 2.566 -12.825 -3.251 1.00 0.00 H new ATOM 0 HB3 ASN A 78 2.385 -14.396 -2.495 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.617 -13.026 -5.034 1.00 0.00 H new ATOM 0 HD22 ASN A 78 0.348 -11.884 -4.092 1.00 0.00 H new ATOM 1120 N SER A 79 3.300 -12.005 -0.493 1.00 0.00 N ATOM 1121 CA SER A 79 4.348 -11.945 0.519 1.00 0.00 C ATOM 1122 C SER A 79 3.751 -11.997 1.922 1.00 0.00 C ATOM 1123 O SER A 79 2.584 -11.663 2.125 1.00 0.00 O ATOM 1124 CB SER A 79 5.176 -10.670 0.351 1.00 0.00 C ATOM 1125 OG SER A 79 5.795 -10.627 -0.923 1.00 0.00 O ATOM 0 H SER A 79 3.411 -11.337 -1.256 1.00 0.00 H new ATOM 0 HA SER A 79 4.997 -12.811 0.387 1.00 0.00 H new ATOM 0 HB2 SER A 79 4.535 -9.797 0.477 1.00 0.00 H new ATOM 0 HB3 SER A 79 5.937 -10.622 1.130 1.00 0.00 H new ATOM 0 HG SER A 79 5.155 -10.296 -1.587 1.00 0.00 H new ATOM 1131 N SER A 80 4.562 -12.418 2.888 1.00 0.00 N ATOM 1132 CA SER A 80 4.114 -12.517 4.272 1.00 0.00 C ATOM 1133 C SER A 80 4.477 -11.258 5.053 1.00 0.00 C ATOM 1134 O SER A 80 5.356 -10.495 4.649 1.00 0.00 O ATOM 1135 CB SER A 80 4.734 -13.744 4.944 1.00 0.00 C ATOM 1136 OG SER A 80 4.214 -13.927 6.250 1.00 0.00 O ATOM 0 H SER A 80 5.532 -12.696 2.737 1.00 0.00 H new ATOM 0 HA SER A 80 3.029 -12.621 4.270 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.536 -14.631 4.343 1.00 0.00 H new ATOM 0 HB3 SER A 80 5.817 -13.628 4.993 1.00 0.00 H new ATOM 0 HG SER A 80 4.507 -14.794 6.600 1.00 0.00 H new ATOM 1142 N HIS A 81 3.794 -11.046 6.173 1.00 0.00 N ATOM 1143 CA HIS A 81 4.045 -9.879 7.012 1.00 0.00 C ATOM 1144 C HIS A 81 5.524 -9.507 6.997 1.00 0.00 C ATOM 1145 O HIS A 81 5.908 -8.474 6.449 1.00 0.00 O ATOM 1146 CB HIS A 81 3.589 -10.148 8.446 1.00 0.00 C ATOM 1147 CG HIS A 81 3.737 -8.966 9.354 1.00 0.00 C ATOM 1148 ND1 HIS A 81 2.860 -7.902 9.353 1.00 0.00 N ATOM 1149 CD2 HIS A 81 4.667 -8.685 10.296 1.00 0.00 C ATOM 1150 CE1 HIS A 81 3.245 -7.017 10.255 1.00 0.00 C ATOM 1151 NE2 HIS A 81 4.339 -7.468 10.841 1.00 0.00 N ATOM 0 H HIS A 81 3.063 -11.666 6.521 1.00 0.00 H new ATOM 0 HA HIS A 81 3.474 -9.043 6.608 1.00 0.00 H new ATOM 0 HB2 HIS A 81 2.544 -10.458 8.434 1.00 0.00 H new ATOM 0 HB3 HIS A 81 4.164 -10.981 8.851 1.00 0.00 H new ATOM 0 HD2 HIS A 81 5.510 -9.303 10.568 1.00 0.00 H new ATOM 0 HE1 HIS A 81 2.749 -6.083 10.476 1.00 0.00 H new ATOM 0 HE2 HIS A 81 4.856 -6.990 11.579 1.00 0.00 H new ATOM 1160 N GLU A 82 6.349 -10.355 7.604 1.00 0.00 N ATOM 1161 CA GLU A 82 7.786 -10.113 7.661 1.00 0.00 C ATOM 1162 C GLU A 82 8.319 -9.677 6.299 1.00 0.00 C ATOM 1163 O GLU A 82 8.880 -8.590 6.160 1.00 0.00 O ATOM 1164 CB GLU A 82 8.519 -11.372 8.128 1.00 0.00 C ATOM 1165 CG GLU A 82 8.138 -11.813 9.531 1.00 0.00 C ATOM 1166 CD GLU A 82 8.541 -13.246 9.822 1.00 0.00 C ATOM 1167 OE1 GLU A 82 8.017 -14.158 9.151 1.00 0.00 O ATOM 1168 OE2 GLU A 82 9.382 -13.453 10.722 1.00 0.00 O ATOM 0 H GLU A 82 6.047 -11.215 8.063 1.00 0.00 H new ATOM 0 HA GLU A 82 7.965 -9.310 8.376 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.309 -12.184 7.432 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.593 -11.191 8.092 1.00 0.00 H new ATOM 0 HG2 GLU A 82 8.612 -11.152 10.257 1.00 0.00 H new ATOM 0 HG3 GLU A 82 7.061 -11.709 9.661 1.00 0.00 H new ATOM 1175 N GLU A 83 8.139 -10.532 5.298 1.00 0.00 N ATOM 1176 CA GLU A 83 8.603 -10.236 3.948 1.00 0.00 C ATOM 1177 C GLU A 83 8.247 -8.805 3.552 1.00 0.00 C ATOM 1178 O GLU A 83 9.075 -8.077 3.005 1.00 0.00 O ATOM 1179 CB GLU A 83 7.993 -11.220 2.947 1.00 0.00 C ATOM 1180 CG GLU A 83 8.526 -12.636 3.085 1.00 0.00 C ATOM 1181 CD GLU A 83 10.023 -12.721 2.858 1.00 0.00 C ATOM 1182 OE1 GLU A 83 10.464 -12.477 1.715 1.00 0.00 O ATOM 1183 OE2 GLU A 83 10.753 -13.031 3.822 1.00 0.00 O ATOM 0 H GLU A 83 7.675 -11.435 5.396 1.00 0.00 H new ATOM 0 HA GLU A 83 9.688 -10.340 3.934 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.911 -11.234 3.077 1.00 0.00 H new ATOM 0 HB3 GLU A 83 8.188 -10.864 1.935 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.291 -13.013 4.080 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.017 -13.283 2.371 1.00 0.00 H new ATOM 1190 N ALA A 84 7.009 -8.411 3.832 1.00 0.00 N ATOM 1191 CA ALA A 84 6.544 -7.068 3.508 1.00 0.00 C ATOM 1192 C ALA A 84 7.355 -6.011 4.250 1.00 0.00 C ATOM 1193 O ALA A 84 7.708 -4.976 3.684 1.00 0.00 O ATOM 1194 CB ALA A 84 5.065 -6.929 3.836 1.00 0.00 C ATOM 0 H ALA A 84 6.310 -9.002 4.282 1.00 0.00 H new ATOM 0 HA ALA A 84 6.684 -6.910 2.439 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.731 -5.921 3.589 1.00 0.00 H new ATOM 0 HB2 ALA A 84 4.494 -7.653 3.255 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.909 -7.113 4.899 1.00 0.00 H new ATOM 1200 N ILE A 85 7.645 -6.278 5.519 1.00 0.00 N ATOM 1201 CA ILE A 85 8.414 -5.350 6.338 1.00 0.00 C ATOM 1202 C ILE A 85 9.789 -5.091 5.731 1.00 0.00 C ATOM 1203 O ILE A 85 10.227 -3.946 5.621 1.00 0.00 O ATOM 1204 CB ILE A 85 8.590 -5.878 7.774 1.00 0.00 C ATOM 1205 CG1 ILE A 85 7.225 -6.090 8.433 1.00 0.00 C ATOM 1206 CG2 ILE A 85 9.435 -4.914 8.593 1.00 0.00 C ATOM 1207 CD1 ILE A 85 6.447 -4.810 8.637 1.00 0.00 C ATOM 0 H ILE A 85 7.359 -7.130 6.002 1.00 0.00 H new ATOM 0 HA ILE A 85 7.852 -4.417 6.370 1.00 0.00 H new ATOM 0 HB ILE A 85 9.106 -6.837 7.732 1.00 0.00 H new ATOM 0 HG12 ILE A 85 6.635 -6.770 7.818 1.00 0.00 H new ATOM 0 HG13 ILE A 85 7.368 -6.576 9.398 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.550 -5.301 9.605 1.00 0.00 H new ATOM 0 HG22 ILE A 85 10.417 -4.808 8.131 1.00 0.00 H new ATOM 0 HG23 ILE A 85 8.944 -3.941 8.630 1.00 0.00 H new ATOM 0 HD11 ILE A 85 5.491 -5.037 9.108 1.00 0.00 H new ATOM 0 HD12 ILE A 85 7.016 -4.136 9.277 1.00 0.00 H new ATOM 0 HD13 ILE A 85 6.272 -4.333 7.673 1.00 0.00 H new ATOM 1219 N THR A 86 10.467 -6.165 5.337 1.00 0.00 N ATOM 1220 CA THR A 86 11.792 -6.055 4.740 1.00 0.00 C ATOM 1221 C THR A 86 11.731 -5.350 3.390 1.00 0.00 C ATOM 1222 O THR A 86 12.613 -4.561 3.051 1.00 0.00 O ATOM 1223 CB THR A 86 12.441 -7.440 4.554 1.00 0.00 C ATOM 1224 OG1 THR A 86 12.470 -8.139 5.804 1.00 0.00 O ATOM 1225 CG2 THR A 86 13.855 -7.306 4.010 1.00 0.00 C ATOM 0 H THR A 86 10.120 -7.121 5.421 1.00 0.00 H new ATOM 0 HA THR A 86 12.400 -5.466 5.427 1.00 0.00 H new ATOM 0 HB THR A 86 11.844 -8.003 3.837 1.00 0.00 H new ATOM 0 HG1 THR A 86 12.882 -9.019 5.677 1.00 0.00 H new ATOM 0 HG21 THR A 86 14.293 -8.297 3.887 1.00 0.00 H new ATOM 0 HG22 THR A 86 13.827 -6.799 3.045 1.00 0.00 H new ATOM 0 HG23 THR A 86 14.460 -6.726 4.707 1.00 0.00 H new ATOM 1233 N ALA A 87 10.684 -5.638 2.624 1.00 0.00 N ATOM 1234 CA ALA A 87 10.507 -5.029 1.312 1.00 0.00 C ATOM 1235 C ALA A 87 10.439 -3.509 1.417 1.00 0.00 C ATOM 1236 O ALA A 87 10.781 -2.795 0.474 1.00 0.00 O ATOM 1237 CB ALA A 87 9.252 -5.570 0.644 1.00 0.00 C ATOM 0 H ALA A 87 9.945 -6.289 2.890 1.00 0.00 H new ATOM 0 HA ALA A 87 11.371 -5.287 0.700 1.00 0.00 H new ATOM 0 HB1 ALA A 87 9.132 -5.106 -0.335 1.00 0.00 H new ATOM 0 HB2 ALA A 87 9.339 -6.650 0.526 1.00 0.00 H new ATOM 0 HB3 ALA A 87 8.384 -5.342 1.262 1.00 0.00 H new ATOM 1243 N LEU A 88 9.994 -3.020 2.569 1.00 0.00 N ATOM 1244 CA LEU A 88 9.880 -1.583 2.798 1.00 0.00 C ATOM 1245 C LEU A 88 11.215 -0.995 3.242 1.00 0.00 C ATOM 1246 O LEU A 88 11.465 0.199 3.075 1.00 0.00 O ATOM 1247 CB LEU A 88 8.808 -1.298 3.851 1.00 0.00 C ATOM 1248 CG LEU A 88 7.376 -1.166 3.332 1.00 0.00 C ATOM 1249 CD1 LEU A 88 6.377 -1.490 4.433 1.00 0.00 C ATOM 1250 CD2 LEU A 88 7.133 0.233 2.785 1.00 0.00 C ATOM 0 H LEU A 88 9.706 -3.597 3.359 1.00 0.00 H new ATOM 0 HA LEU A 88 9.591 -1.112 1.858 1.00 0.00 H new ATOM 0 HB2 LEU A 88 8.833 -2.098 4.591 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.072 -0.376 4.369 1.00 0.00 H new ATOM 0 HG LEU A 88 7.237 -1.881 2.521 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.363 -1.391 4.045 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.535 -2.512 4.778 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.516 -0.800 5.265 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.109 0.308 2.420 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.291 0.966 3.576 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.825 0.429 1.966 1.00 0.00 H new ATOM 1262 N ARG A 89 12.070 -1.841 3.808 1.00 0.00 N ATOM 1263 CA ARG A 89 13.380 -1.405 4.275 1.00 0.00 C ATOM 1264 C ARG A 89 14.413 -1.492 3.156 1.00 0.00 C ATOM 1265 O ARG A 89 15.401 -0.758 3.152 1.00 0.00 O ATOM 1266 CB ARG A 89 13.829 -2.255 5.465 1.00 0.00 C ATOM 1267 CG ARG A 89 13.016 -2.014 6.727 1.00 0.00 C ATOM 1268 CD ARG A 89 13.041 -3.226 7.645 1.00 0.00 C ATOM 1269 NE ARG A 89 14.180 -3.197 8.559 1.00 0.00 N ATOM 1270 CZ ARG A 89 15.381 -3.675 8.251 1.00 0.00 C ATOM 1271 NH1 ARG A 89 15.598 -4.215 7.060 1.00 0.00 N ATOM 1272 NH2 ARG A 89 16.368 -3.613 9.136 1.00 0.00 N ATOM 0 H ARG A 89 11.879 -2.832 3.954 1.00 0.00 H new ATOM 0 HA ARG A 89 13.298 -0.365 4.590 1.00 0.00 H new ATOM 0 HB2 ARG A 89 13.760 -3.309 5.194 1.00 0.00 H new ATOM 0 HB3 ARG A 89 14.878 -2.047 5.674 1.00 0.00 H new ATOM 0 HG2 ARG A 89 13.412 -1.147 7.256 1.00 0.00 H new ATOM 0 HG3 ARG A 89 11.986 -1.781 6.458 1.00 0.00 H new ATOM 0 HD2 ARG A 89 12.116 -3.264 8.220 1.00 0.00 H new ATOM 0 HD3 ARG A 89 13.081 -4.135 7.045 1.00 0.00 H new ATOM 0 HE ARG A 89 14.046 -2.788 9.484 1.00 0.00 H new ATOM 0 HH11 ARG A 89 14.842 -4.264 6.377 1.00 0.00 H new ATOM 0 HH12 ARG A 89 16.521 -4.581 6.827 1.00 0.00 H new ATOM 0 HH21 ARG A 89 16.205 -3.198 10.053 1.00 0.00 H new ATOM 0 HH22 ARG A 89 17.290 -3.980 8.899 1.00 0.00 H new ATOM 1286 N GLN A 90 14.178 -2.395 2.209 1.00 0.00 N ATOM 1287 CA GLN A 90 15.089 -2.578 1.086 1.00 0.00 C ATOM 1288 C GLN A 90 14.746 -1.625 -0.055 1.00 0.00 C ATOM 1289 O GLN A 90 15.225 -1.786 -1.178 1.00 0.00 O ATOM 1290 CB GLN A 90 15.038 -4.024 0.591 1.00 0.00 C ATOM 1291 CG GLN A 90 15.757 -5.006 1.503 1.00 0.00 C ATOM 1292 CD GLN A 90 16.075 -6.318 0.813 1.00 0.00 C ATOM 1293 OE1 GLN A 90 15.104 -7.224 0.788 1.00 0.00 O flip ATOM 1294 NE2 GLN A 90 17.180 -6.515 0.309 1.00 0.00 N flip ATOM 0 H GLN A 90 13.365 -3.011 2.197 1.00 0.00 H new ATOM 0 HA GLN A 90 16.099 -2.355 1.430 1.00 0.00 H new ATOM 0 HB2 GLN A 90 13.996 -4.329 0.492 1.00 0.00 H new ATOM 0 HB3 GLN A 90 15.480 -4.074 -0.404 1.00 0.00 H new ATOM 0 HG2 GLN A 90 16.682 -4.554 1.860 1.00 0.00 H new ATOM 0 HG3 GLN A 90 15.139 -5.201 2.379 1.00 0.00 H new ATOM 0 HE21 GLN A 90 17.897 -5.790 0.352 1.00 0.00 H new ATOM 0 HE22 GLN A 90 17.379 -7.403 -0.152 1.00 0.00 H new ATOM 1303 N THR A 91 13.913 -0.632 0.241 1.00 0.00 N ATOM 1304 CA THR A 91 13.504 0.346 -0.760 1.00 0.00 C ATOM 1305 C THR A 91 14.515 1.481 -0.864 1.00 0.00 C ATOM 1306 O THR A 91 14.948 2.053 0.137 1.00 0.00 O ATOM 1307 CB THR A 91 12.118 0.935 -0.435 1.00 0.00 C ATOM 1308 OG1 THR A 91 12.132 1.530 0.867 1.00 0.00 O ATOM 1309 CG2 THR A 91 11.045 -0.141 -0.496 1.00 0.00 C ATOM 0 H THR A 91 13.508 -0.484 1.166 1.00 0.00 H new ATOM 0 HA THR A 91 13.453 -0.179 -1.714 1.00 0.00 H new ATOM 0 HB THR A 91 11.888 1.697 -1.179 1.00 0.00 H new ATOM 0 HG1 THR A 91 11.807 0.882 1.526 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.075 0.299 -0.263 1.00 0.00 H new ATOM 0 HG22 THR A 91 11.017 -0.571 -1.497 1.00 0.00 H new ATOM 0 HG23 THR A 91 11.272 -0.923 0.228 1.00 0.00 H new ATOM 1317 N PRO A 92 14.902 1.818 -2.103 1.00 0.00 N ATOM 1318 CA PRO A 92 15.867 2.890 -2.367 1.00 0.00 C ATOM 1319 C PRO A 92 15.296 4.271 -2.064 1.00 0.00 C ATOM 1320 O PRO A 92 14.097 4.419 -1.831 1.00 0.00 O ATOM 1321 CB PRO A 92 16.155 2.747 -3.863 1.00 0.00 C ATOM 1322 CG PRO A 92 14.940 2.091 -4.422 1.00 0.00 C ATOM 1323 CD PRO A 92 14.428 1.179 -3.342 1.00 0.00 C ATOM 0 HA PRO A 92 16.753 2.805 -1.738 1.00 0.00 H new ATOM 0 HB2 PRO A 92 16.330 3.718 -4.327 1.00 0.00 H new ATOM 0 HB3 PRO A 92 17.046 2.145 -4.039 1.00 0.00 H new ATOM 0 HG2 PRO A 92 14.188 2.831 -4.697 1.00 0.00 H new ATOM 0 HG3 PRO A 92 15.180 1.530 -5.325 1.00 0.00 H new ATOM 0 HD2 PRO A 92 13.341 1.101 -3.364 1.00 0.00 H new ATOM 0 HD3 PRO A 92 14.822 0.168 -3.449 1.00 0.00 H new ATOM 1331 N GLN A 93 16.163 5.279 -2.069 1.00 0.00 N ATOM 1332 CA GLN A 93 15.743 6.648 -1.794 1.00 0.00 C ATOM 1333 C GLN A 93 14.345 6.910 -2.345 1.00 0.00 C ATOM 1334 O GLN A 93 13.511 7.528 -1.683 1.00 0.00 O ATOM 1335 CB GLN A 93 16.737 7.640 -2.401 1.00 0.00 C ATOM 1336 CG GLN A 93 17.858 8.034 -1.452 1.00 0.00 C ATOM 1337 CD GLN A 93 19.148 8.363 -2.178 1.00 0.00 C ATOM 1338 OE1 GLN A 93 19.211 8.321 -3.407 1.00 0.00 O ATOM 1339 NE2 GLN A 93 20.187 8.694 -1.419 1.00 0.00 N ATOM 0 H GLN A 93 17.159 5.173 -2.260 1.00 0.00 H new ATOM 0 HA GLN A 93 15.719 6.784 -0.713 1.00 0.00 H new ATOM 0 HB2 GLN A 93 17.170 7.203 -3.301 1.00 0.00 H new ATOM 0 HB3 GLN A 93 16.200 8.537 -2.709 1.00 0.00 H new ATOM 0 HG2 GLN A 93 17.545 8.898 -0.865 1.00 0.00 H new ATOM 0 HG3 GLN A 93 18.038 7.220 -0.750 1.00 0.00 H new ATOM 0 HE21 GLN A 93 20.090 8.716 -0.404 1.00 0.00 H new ATOM 0 HE22 GLN A 93 21.081 8.926 -1.851 1.00 0.00 H new ATOM 1348 N LYS A 94 14.096 6.437 -3.562 1.00 0.00 N ATOM 1349 CA LYS A 94 12.799 6.619 -4.203 1.00 0.00 C ATOM 1350 C LYS A 94 11.908 5.401 -3.983 1.00 0.00 C ATOM 1351 O LYS A 94 11.979 4.424 -4.728 1.00 0.00 O ATOM 1352 CB LYS A 94 12.979 6.868 -5.702 1.00 0.00 C ATOM 1353 CG LYS A 94 13.622 8.206 -6.024 1.00 0.00 C ATOM 1354 CD LYS A 94 13.820 8.385 -7.520 1.00 0.00 C ATOM 1355 CE LYS A 94 14.993 7.562 -8.029 1.00 0.00 C ATOM 1356 NZ LYS A 94 16.298 8.114 -7.572 1.00 0.00 N ATOM 0 H LYS A 94 14.776 5.925 -4.124 1.00 0.00 H new ATOM 0 HA LYS A 94 12.317 7.486 -3.752 1.00 0.00 H new ATOM 0 HB2 LYS A 94 13.590 6.070 -6.123 1.00 0.00 H new ATOM 0 HB3 LYS A 94 12.006 6.815 -6.190 1.00 0.00 H new ATOM 0 HG2 LYS A 94 12.997 9.012 -5.640 1.00 0.00 H new ATOM 0 HG3 LYS A 94 14.584 8.279 -5.518 1.00 0.00 H new ATOM 0 HD2 LYS A 94 12.912 8.090 -8.046 1.00 0.00 H new ATOM 0 HD3 LYS A 94 13.990 9.439 -7.742 1.00 0.00 H new ATOM 0 HE2 LYS A 94 14.892 6.533 -7.682 1.00 0.00 H new ATOM 0 HE3 LYS A 94 14.972 7.535 -9.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 17.068 7.694 -8.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 16.301 9.146 -7.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 16.438 7.887 -6.567 1.00 0.00 H new ATOM 1370 N VAL A 95 11.068 5.466 -2.954 1.00 0.00 N ATOM 1371 CA VAL A 95 10.160 4.370 -2.638 1.00 0.00 C ATOM 1372 C VAL A 95 8.847 4.506 -3.399 1.00 0.00 C ATOM 1373 O VAL A 95 8.204 5.555 -3.365 1.00 0.00 O ATOM 1374 CB VAL A 95 9.862 4.307 -1.128 1.00 0.00 C ATOM 1375 CG1 VAL A 95 9.096 3.037 -0.788 1.00 0.00 C ATOM 1376 CG2 VAL A 95 11.152 4.392 -0.326 1.00 0.00 C ATOM 0 H VAL A 95 10.998 6.266 -2.325 1.00 0.00 H new ATOM 0 HA VAL A 95 10.658 3.449 -2.942 1.00 0.00 H new ATOM 0 HB VAL A 95 9.239 5.161 -0.862 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.894 3.009 0.283 1.00 0.00 H new ATOM 0 HG12 VAL A 95 8.153 3.023 -1.335 1.00 0.00 H new ATOM 0 HG13 VAL A 95 9.691 2.167 -1.068 1.00 0.00 H new ATOM 0 HG21 VAL A 95 10.922 4.346 0.739 1.00 0.00 H new ATOM 0 HG22 VAL A 95 11.802 3.559 -0.593 1.00 0.00 H new ATOM 0 HG23 VAL A 95 11.657 5.332 -0.548 1.00 0.00 H new ATOM 1386 N ARG A 96 8.453 3.438 -4.086 1.00 0.00 N ATOM 1387 CA ARG A 96 7.216 3.439 -4.857 1.00 0.00 C ATOM 1388 C ARG A 96 6.304 2.295 -4.422 1.00 0.00 C ATOM 1389 O ARG A 96 6.768 1.190 -4.139 1.00 0.00 O ATOM 1390 CB ARG A 96 7.521 3.322 -6.351 1.00 0.00 C ATOM 1391 CG ARG A 96 6.278 3.238 -7.222 1.00 0.00 C ATOM 1392 CD ARG A 96 5.726 1.822 -7.269 1.00 0.00 C ATOM 1393 NE ARG A 96 5.028 1.548 -8.523 1.00 0.00 N ATOM 1394 CZ ARG A 96 5.641 1.167 -9.638 1.00 0.00 C ATOM 1395 NH1 ARG A 96 6.958 1.015 -9.655 1.00 0.00 N ATOM 1396 NH2 ARG A 96 4.937 0.937 -10.738 1.00 0.00 N ATOM 0 H ARG A 96 8.973 2.561 -4.124 1.00 0.00 H new ATOM 0 HA ARG A 96 6.702 4.382 -4.671 1.00 0.00 H new ATOM 0 HB2 ARG A 96 8.114 4.183 -6.661 1.00 0.00 H new ATOM 0 HB3 ARG A 96 8.133 2.436 -6.520 1.00 0.00 H new ATOM 0 HG2 ARG A 96 5.515 3.914 -6.836 1.00 0.00 H new ATOM 0 HG3 ARG A 96 6.517 3.570 -8.232 1.00 0.00 H new ATOM 0 HD2 ARG A 96 6.542 1.110 -7.146 1.00 0.00 H new ATOM 0 HD3 ARG A 96 5.043 1.671 -6.433 1.00 0.00 H new ATOM 0 HE ARG A 96 4.014 1.655 -8.543 1.00 0.00 H new ATOM 0 HH11 ARG A 96 7.503 1.191 -8.811 1.00 0.00 H new ATOM 0 HH12 ARG A 96 7.427 0.722 -10.512 1.00 0.00 H new ATOM 0 HH21 ARG A 96 3.924 1.053 -10.728 1.00 0.00 H new ATOM 0 HH22 ARG A 96 5.409 0.644 -11.594 1.00 0.00 H new ATOM 1410 N LEU A 97 5.005 2.569 -4.369 1.00 0.00 N ATOM 1411 CA LEU A 97 4.027 1.564 -3.968 1.00 0.00 C ATOM 1412 C LEU A 97 2.696 1.784 -4.680 1.00 0.00 C ATOM 1413 O LEU A 97 2.454 2.847 -5.251 1.00 0.00 O ATOM 1414 CB LEU A 97 3.820 1.601 -2.453 1.00 0.00 C ATOM 1415 CG LEU A 97 5.083 1.765 -1.607 1.00 0.00 C ATOM 1416 CD1 LEU A 97 5.499 3.227 -1.547 1.00 0.00 C ATOM 1417 CD2 LEU A 97 4.863 1.213 -0.206 1.00 0.00 C ATOM 0 H LEU A 97 4.605 3.479 -4.599 1.00 0.00 H new ATOM 0 HA LEU A 97 4.412 0.585 -4.252 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.141 2.421 -2.219 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.322 0.679 -2.152 1.00 0.00 H new ATOM 0 HG LEU A 97 5.887 1.198 -2.076 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.400 3.324 -0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.699 3.590 -2.555 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.697 3.816 -1.102 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.773 1.338 0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.045 1.751 0.273 1.00 0.00 H new ATOM 0 HD23 LEU A 97 4.614 0.154 -0.267 1.00 0.00 H new ATOM 1429 N VAL A 98 1.835 0.772 -4.640 1.00 0.00 N ATOM 1430 CA VAL A 98 0.527 0.856 -5.278 1.00 0.00 C ATOM 1431 C VAL A 98 -0.594 0.727 -4.253 1.00 0.00 C ATOM 1432 O VAL A 98 -0.819 -0.347 -3.695 1.00 0.00 O ATOM 1433 CB VAL A 98 0.355 -0.235 -6.351 1.00 0.00 C ATOM 1434 CG1 VAL A 98 -1.013 -0.127 -7.008 1.00 0.00 C ATOM 1435 CG2 VAL A 98 1.462 -0.140 -7.390 1.00 0.00 C ATOM 0 H VAL A 98 2.020 -0.115 -4.172 1.00 0.00 H new ATOM 0 HA VAL A 98 0.469 1.835 -5.754 1.00 0.00 H new ATOM 0 HB VAL A 98 0.424 -1.209 -5.867 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -1.116 -0.906 -7.763 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -1.790 -0.248 -6.253 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -1.114 0.851 -7.479 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.325 -0.919 -8.140 1.00 0.00 H new ATOM 0 HG22 VAL A 98 1.427 0.838 -7.871 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.429 -0.271 -6.904 1.00 0.00 H new ATOM 1445 N VAL A 99 -1.296 1.830 -4.010 1.00 0.00 N ATOM 1446 CA VAL A 99 -2.396 1.840 -3.053 1.00 0.00 C ATOM 1447 C VAL A 99 -3.744 1.816 -3.764 1.00 0.00 C ATOM 1448 O VAL A 99 -3.869 2.283 -4.897 1.00 0.00 O ATOM 1449 CB VAL A 99 -2.332 3.077 -2.138 1.00 0.00 C ATOM 1450 CG1 VAL A 99 -1.144 2.982 -1.193 1.00 0.00 C ATOM 1451 CG2 VAL A 99 -2.264 4.350 -2.969 1.00 0.00 C ATOM 0 H VAL A 99 -1.122 2.727 -4.463 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.294 0.941 -2.444 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.241 3.111 -1.537 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.115 3.865 -0.555 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -1.242 2.090 -0.574 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.222 2.923 -1.772 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.219 5.215 -2.307 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -1.373 4.327 -3.597 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -3.151 4.421 -3.599 1.00 0.00 H new ATOM 1461 N TYR A 100 -4.752 1.270 -3.093 1.00 0.00 N ATOM 1462 CA TYR A 100 -6.092 1.184 -3.661 1.00 0.00 C ATOM 1463 C TYR A 100 -7.152 1.485 -2.606 1.00 0.00 C ATOM 1464 O TYR A 100 -7.305 0.744 -1.635 1.00 0.00 O ATOM 1465 CB TYR A 100 -6.328 -0.206 -4.256 1.00 0.00 C ATOM 1466 CG TYR A 100 -7.750 -0.435 -4.715 1.00 0.00 C ATOM 1467 CD1 TYR A 100 -8.326 0.375 -5.686 1.00 0.00 C ATOM 1468 CD2 TYR A 100 -8.518 -1.460 -4.177 1.00 0.00 C ATOM 1469 CE1 TYR A 100 -9.625 0.171 -6.108 1.00 0.00 C ATOM 1470 CE2 TYR A 100 -9.818 -1.673 -4.594 1.00 0.00 C ATOM 1471 CZ TYR A 100 -10.367 -0.855 -5.559 1.00 0.00 C ATOM 1472 OH TYR A 100 -11.662 -1.063 -5.976 1.00 0.00 O ATOM 0 H TYR A 100 -4.666 0.880 -2.154 1.00 0.00 H new ATOM 0 HA TYR A 100 -6.172 1.929 -4.452 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -5.655 -0.349 -5.101 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -6.070 -0.959 -3.512 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -7.748 1.178 -6.118 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -8.092 -2.101 -3.420 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -10.058 0.811 -6.863 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -10.401 -2.476 -4.167 1.00 0.00 H new ATOM 0 HH TYR A 100 -12.043 -1.825 -5.492 1.00 0.00 H new ATOM 1482 N ARG A 101 -7.882 2.577 -2.805 1.00 0.00 N ATOM 1483 CA ARG A 101 -8.927 2.978 -1.872 1.00 0.00 C ATOM 1484 C ARG A 101 -10.304 2.877 -2.522 1.00 0.00 C ATOM 1485 O ARG A 101 -10.757 3.808 -3.188 1.00 0.00 O ATOM 1486 CB ARG A 101 -8.685 4.408 -1.385 1.00 0.00 C ATOM 1487 CG ARG A 101 -9.429 4.749 -0.104 1.00 0.00 C ATOM 1488 CD ARG A 101 -8.865 6.000 0.552 1.00 0.00 C ATOM 1489 NE ARG A 101 -7.478 5.819 0.972 1.00 0.00 N ATOM 1490 CZ ARG A 101 -6.641 6.825 1.199 1.00 0.00 C ATOM 1491 NH1 ARG A 101 -7.049 8.078 1.047 1.00 0.00 N ATOM 1492 NH2 ARG A 101 -5.394 6.580 1.580 1.00 0.00 N ATOM 0 H ARG A 101 -7.769 3.200 -3.605 1.00 0.00 H new ATOM 0 HA ARG A 101 -8.896 2.301 -1.018 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -7.617 4.552 -1.224 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -8.986 5.105 -2.167 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -10.486 4.898 -0.325 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -9.363 3.911 0.590 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -8.926 6.835 -0.146 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -9.475 6.262 1.417 1.00 0.00 H new ATOM 0 HE ARG A 101 -7.133 4.867 1.098 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -8.007 8.270 0.755 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -6.404 8.849 1.222 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -5.077 5.618 1.699 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -4.753 7.354 1.754 1.00 0.00 H new ATOM 1506 N ASP A 102 -10.964 1.741 -2.323 1.00 0.00 N ATOM 1507 CA ASP A 102 -12.289 1.518 -2.889 1.00 0.00 C ATOM 1508 C ASP A 102 -13.285 2.547 -2.363 1.00 0.00 C ATOM 1509 O ASP A 102 -13.171 3.012 -1.230 1.00 0.00 O ATOM 1510 CB ASP A 102 -12.776 0.106 -2.561 1.00 0.00 C ATOM 1511 CG ASP A 102 -14.199 -0.138 -3.024 1.00 0.00 C ATOM 1512 OD1 ASP A 102 -14.493 0.135 -4.206 1.00 0.00 O ATOM 1513 OD2 ASP A 102 -15.019 -0.602 -2.203 1.00 0.00 O ATOM 0 H ASP A 102 -10.603 0.961 -1.774 1.00 0.00 H new ATOM 0 HA ASP A 102 -12.218 1.628 -3.971 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -12.114 -0.622 -3.031 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -12.714 -0.056 -1.485 1.00 0.00 H new ATOM 1518 N GLU A 103 -14.260 2.899 -3.196 1.00 0.00 N ATOM 1519 CA GLU A 103 -15.274 3.875 -2.815 1.00 0.00 C ATOM 1520 C GLU A 103 -16.623 3.198 -2.588 1.00 0.00 C ATOM 1521 O GLU A 103 -17.669 3.742 -2.941 1.00 0.00 O ATOM 1522 CB GLU A 103 -15.407 4.953 -3.893 1.00 0.00 C ATOM 1523 CG GLU A 103 -15.769 4.403 -5.262 1.00 0.00 C ATOM 1524 CD GLU A 103 -17.267 4.279 -5.463 1.00 0.00 C ATOM 1525 OE1 GLU A 103 -17.928 5.320 -5.659 1.00 0.00 O ATOM 1526 OE2 GLU A 103 -17.778 3.140 -5.425 1.00 0.00 O ATOM 0 H GLU A 103 -14.369 2.523 -4.138 1.00 0.00 H new ATOM 0 HA GLU A 103 -14.959 4.342 -1.882 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -16.168 5.670 -3.586 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -14.466 5.499 -3.967 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -15.355 5.054 -6.032 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -15.307 3.424 -5.390 1.00 0.00 H new