USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 603 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -6:sc= 0.879! USER MOD Single : A 25 HIS : no HD1:sc= -0.529 X(o=-0.53,f=-0.095) USER MOD Single : A 28 HIS : no HD1:sc= -5.29! C(o=-5.3!,f=-5.9!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 144:sc= -0.351 (180deg=-0.671) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.0397 K(o=-0.04,f=-1.2!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.0578 X(o=-0.058,f=-0.16) USER MOD Single : A 62 CYS SG : rot 180:sc= -0.486 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.0134 K(o=-0.013,f=-1.3) USER MOD Single : A 78 HIS : no HE2:sc= -5.41! C(o=-5.4!,f=-6.5!) USER MOD Single : A 81 ASN : amide:sc= -1.5! C(o=-1.5!,f=-2.3!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 125 N GLY A 11 -15.305 -6.943 4.880 1.00 0.00 N ATOM 126 CA GLY A 11 -15.175 -8.323 4.450 1.00 0.00 C ATOM 127 C GLY A 11 -14.601 -9.216 5.532 1.00 0.00 C ATOM 128 O GLY A 11 -14.380 -8.773 6.658 1.00 0.00 O ATOM 0 HA2 GLY A 11 -16.153 -8.701 4.152 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -14.534 -8.367 3.569 1.00 0.00 H new ATOM 132 N GLU A 12 -14.362 -10.478 5.190 1.00 0.00 N ATOM 133 CA GLU A 12 -13.813 -11.436 6.142 1.00 0.00 C ATOM 134 C GLU A 12 -12.316 -11.631 5.916 1.00 0.00 C ATOM 135 O GLU A 12 -11.808 -11.404 4.818 1.00 0.00 O ATOM 136 CB GLU A 12 -14.537 -12.779 6.025 1.00 0.00 C ATOM 137 CG GLU A 12 -15.824 -12.849 6.829 1.00 0.00 C ATOM 138 CD GLU A 12 -16.440 -14.234 6.825 1.00 0.00 C ATOM 139 OE1 GLU A 12 -16.450 -14.876 5.754 1.00 0.00 O ATOM 140 OE2 GLU A 12 -16.912 -14.676 7.893 1.00 0.00 O ATOM 0 H GLU A 12 -14.540 -10.860 4.261 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.963 -11.038 7.146 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -14.763 -12.970 4.976 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -13.868 -13.573 6.357 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -15.622 -12.548 7.857 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -16.541 -12.135 6.423 1.00 0.00 H new ATOM 147 N LEU A 13 -11.616 -12.053 6.964 1.00 0.00 N ATOM 148 CA LEU A 13 -10.177 -12.278 6.881 1.00 0.00 C ATOM 149 C LEU A 13 -9.845 -13.283 5.782 1.00 0.00 C ATOM 150 O LEU A 13 -9.173 -12.951 4.807 1.00 0.00 O ATOM 151 CB LEU A 13 -9.641 -12.778 8.224 1.00 0.00 C ATOM 152 CG LEU A 13 -9.686 -11.777 9.379 1.00 0.00 C ATOM 153 CD1 LEU A 13 -9.694 -12.503 10.715 1.00 0.00 C ATOM 154 CD2 LEU A 13 -8.507 -10.818 9.299 1.00 0.00 C ATOM 0 H LEU A 13 -12.021 -12.246 7.880 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.699 -11.329 6.636 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.210 -13.662 8.513 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.608 -13.095 8.085 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.606 -11.199 9.298 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.726 -11.774 11.525 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.570 -13.149 10.773 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.791 -13.107 10.806 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.555 -10.113 10.129 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.575 -11.381 9.355 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.545 -10.272 8.356 1.00 0.00 H new ATOM 166 N GLU A 14 -10.325 -14.512 5.948 1.00 0.00 N ATOM 167 CA GLU A 14 -10.080 -15.565 4.969 1.00 0.00 C ATOM 168 C GLU A 14 -10.321 -15.056 3.550 1.00 0.00 C ATOM 169 O GLU A 14 -9.587 -15.398 2.624 1.00 0.00 O ATOM 170 CB GLU A 14 -10.978 -16.772 5.249 1.00 0.00 C ATOM 171 CG GLU A 14 -10.474 -17.656 6.377 1.00 0.00 C ATOM 172 CD GLU A 14 -9.253 -18.465 5.983 1.00 0.00 C ATOM 173 OE1 GLU A 14 -9.405 -19.431 5.207 1.00 0.00 O ATOM 174 OE2 GLU A 14 -8.145 -18.130 6.452 1.00 0.00 O ATOM 0 H GLU A 14 -10.885 -14.802 6.750 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.037 -15.870 5.055 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.980 -16.420 5.495 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.064 -17.369 4.341 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.231 -17.035 7.239 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.270 -18.334 6.686 1.00 0.00 H new ATOM 181 N GLN A 15 -11.356 -14.237 3.390 1.00 0.00 N ATOM 182 CA GLN A 15 -11.696 -13.682 2.085 1.00 0.00 C ATOM 183 C GLN A 15 -10.555 -12.826 1.545 1.00 0.00 C ATOM 184 O GLN A 15 -10.272 -12.837 0.347 1.00 0.00 O ATOM 185 CB GLN A 15 -12.975 -12.849 2.179 1.00 0.00 C ATOM 186 CG GLN A 15 -14.244 -13.685 2.222 1.00 0.00 C ATOM 187 CD GLN A 15 -14.711 -14.108 0.843 1.00 0.00 C ATOM 188 OE1 GLN A 15 -14.248 -15.111 0.299 1.00 0.00 O ATOM 189 NE2 GLN A 15 -15.633 -13.343 0.269 1.00 0.00 N ATOM 0 H GLN A 15 -11.973 -13.943 4.147 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.862 -14.511 1.397 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -12.929 -12.227 3.073 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.023 -12.175 1.324 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -14.070 -14.572 2.830 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -15.034 -13.114 2.710 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -15.989 -12.521 0.756 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -15.985 -13.578 -0.659 1.00 0.00 H new ATOM 198 N MET A 16 -9.905 -12.085 2.435 1.00 0.00 N ATOM 199 CA MET A 16 -8.795 -11.223 2.047 1.00 0.00 C ATOM 200 C MET A 16 -7.753 -12.003 1.251 1.00 0.00 C ATOM 201 O MET A 16 -7.594 -13.210 1.434 1.00 0.00 O ATOM 202 CB MET A 16 -8.146 -10.601 3.285 1.00 0.00 C ATOM 203 CG MET A 16 -9.113 -9.797 4.139 1.00 0.00 C ATOM 204 SD MET A 16 -8.275 -8.626 5.223 1.00 0.00 S ATOM 205 CE MET A 16 -9.665 -7.936 6.117 1.00 0.00 C ATOM 0 H MET A 16 -10.128 -12.064 3.430 1.00 0.00 H new ATOM 0 HA MET A 16 -9.190 -10.428 1.415 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.709 -11.393 3.893 1.00 0.00 H new ATOM 0 HB3 MET A 16 -7.328 -9.954 2.970 1.00 0.00 H new ATOM 0 HG2 MET A 16 -9.802 -9.256 3.490 1.00 0.00 H new ATOM 0 HG3 MET A 16 -9.713 -10.479 4.742 1.00 0.00 H new ATOM 0 HE1 MET A 16 -9.307 -7.192 6.829 1.00 0.00 H new ATOM 0 HE2 MET A 16 -10.352 -7.464 5.414 1.00 0.00 H new ATOM 0 HE3 MET A 16 -10.184 -8.731 6.653 1.00 0.00 H new ATOM 215 N VAL A 17 -7.047 -11.307 0.367 1.00 0.00 N ATOM 216 CA VAL A 17 -6.020 -11.935 -0.457 1.00 0.00 C ATOM 217 C VAL A 17 -4.708 -11.161 -0.384 1.00 0.00 C ATOM 218 O VAL A 17 -4.698 -9.931 -0.423 1.00 0.00 O ATOM 219 CB VAL A 17 -6.464 -12.034 -1.928 1.00 0.00 C ATOM 220 CG1 VAL A 17 -7.734 -12.861 -2.049 1.00 0.00 C ATOM 221 CG2 VAL A 17 -6.664 -10.646 -2.518 1.00 0.00 C ATOM 0 H VAL A 17 -7.167 -10.308 0.202 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.868 -12.940 -0.063 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.678 -12.535 -2.493 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.032 -12.919 -3.096 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.552 -13.865 -1.667 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.530 -12.392 -1.471 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.978 -10.735 -3.558 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.430 -10.117 -1.952 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.727 -10.091 -2.467 1.00 0.00 H new ATOM 231 N SER A 18 -3.603 -11.892 -0.277 1.00 0.00 N ATOM 232 CA SER A 18 -2.284 -11.274 -0.195 1.00 0.00 C ATOM 233 C SER A 18 -1.683 -11.090 -1.586 1.00 0.00 C ATOM 234 O SER A 18 -1.451 -12.060 -2.306 1.00 0.00 O ATOM 235 CB SER A 18 -1.351 -12.127 0.667 1.00 0.00 C ATOM 236 OG SER A 18 -0.762 -13.167 -0.094 1.00 0.00 O ATOM 0 H SER A 18 -3.594 -12.911 -0.245 1.00 0.00 H new ATOM 0 HA SER A 18 -2.397 -10.293 0.266 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.570 -11.498 1.095 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.909 -12.553 1.500 1.00 0.00 H new ATOM 0 HG SER A 18 -1.157 -13.180 -0.991 1.00 0.00 H new ATOM 242 N GLU A 19 -1.434 -9.838 -1.955 1.00 0.00 N ATOM 243 CA GLU A 19 -0.861 -9.526 -3.259 1.00 0.00 C ATOM 244 C GLU A 19 0.510 -8.873 -3.109 1.00 0.00 C ATOM 245 O GLU A 19 0.823 -8.293 -2.069 1.00 0.00 O ATOM 246 CB GLU A 19 -1.795 -8.601 -4.043 1.00 0.00 C ATOM 247 CG GLU A 19 -2.806 -9.342 -4.901 1.00 0.00 C ATOM 248 CD GLU A 19 -3.768 -8.407 -5.608 1.00 0.00 C ATOM 249 OE1 GLU A 19 -3.373 -7.809 -6.629 1.00 0.00 O ATOM 250 OE2 GLU A 19 -4.918 -8.275 -5.138 1.00 0.00 O ATOM 0 H GLU A 19 -1.620 -9.023 -1.370 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.741 -10.460 -3.807 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.328 -7.958 -3.342 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.197 -7.951 -4.681 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.278 -9.942 -5.642 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.371 -10.033 -4.275 1.00 0.00 H new ATOM 257 N ASP A 20 1.324 -8.974 -4.154 1.00 0.00 N ATOM 258 CA ASP A 20 2.662 -8.394 -4.140 1.00 0.00 C ATOM 259 C ASP A 20 2.750 -7.207 -5.093 1.00 0.00 C ATOM 260 O ASP A 20 2.532 -7.346 -6.297 1.00 0.00 O ATOM 261 CB ASP A 20 3.702 -9.449 -4.522 1.00 0.00 C ATOM 262 CG ASP A 20 3.220 -10.361 -5.633 1.00 0.00 C ATOM 263 OD1 ASP A 20 2.922 -9.851 -6.733 1.00 0.00 O ATOM 264 OD2 ASP A 20 3.142 -11.586 -5.402 1.00 0.00 O ATOM 0 H ASP A 20 1.081 -9.452 -5.022 1.00 0.00 H new ATOM 0 HA ASP A 20 2.868 -8.041 -3.129 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.620 -8.953 -4.836 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.947 -10.048 -3.645 1.00 0.00 H new ATOM 269 N VAL A 21 3.068 -6.038 -4.546 1.00 0.00 N ATOM 270 CA VAL A 21 3.185 -4.825 -5.347 1.00 0.00 C ATOM 271 C VAL A 21 4.629 -4.342 -5.407 1.00 0.00 C ATOM 272 O VAL A 21 5.245 -4.020 -4.390 1.00 0.00 O ATOM 273 CB VAL A 21 2.300 -3.696 -4.788 1.00 0.00 C ATOM 274 CG1 VAL A 21 1.969 -2.687 -5.877 1.00 0.00 C ATOM 275 CG2 VAL A 21 1.030 -4.267 -4.177 1.00 0.00 C ATOM 0 H VAL A 21 3.249 -5.905 -3.551 1.00 0.00 H new ATOM 0 HA VAL A 21 2.848 -5.077 -6.353 1.00 0.00 H new ATOM 0 HB VAL A 21 2.854 -3.180 -4.004 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.343 -1.897 -5.463 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.891 -2.254 -6.264 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.435 -3.186 -6.686 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.417 -3.455 -3.787 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.471 -4.809 -4.940 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.290 -4.947 -3.366 1.00 0.00 H new ATOM 285 N PRO A 22 5.186 -4.289 -6.626 1.00 0.00 N ATOM 286 CA PRO A 22 6.565 -3.845 -6.848 1.00 0.00 C ATOM 287 C PRO A 22 6.741 -2.351 -6.595 1.00 0.00 C ATOM 288 O PRO A 22 6.382 -1.523 -7.432 1.00 0.00 O ATOM 289 CB PRO A 22 6.809 -4.170 -8.324 1.00 0.00 C ATOM 290 CG PRO A 22 5.454 -4.161 -8.943 1.00 0.00 C ATOM 291 CD PRO A 22 4.511 -4.657 -7.882 1.00 0.00 C ATOM 0 HA PRO A 22 7.264 -4.332 -6.169 1.00 0.00 H new ATOM 0 HB2 PRO A 22 7.462 -3.431 -8.789 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.291 -5.140 -8.441 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.181 -3.158 -9.270 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.423 -4.803 -9.824 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.531 -4.187 -7.964 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.355 -5.733 -7.954 1.00 0.00 H new ATOM 299 N LEU A 23 7.296 -2.014 -5.436 1.00 0.00 N ATOM 300 CA LEU A 23 7.521 -0.619 -5.073 1.00 0.00 C ATOM 301 C LEU A 23 9.006 -0.345 -4.856 1.00 0.00 C ATOM 302 O LEU A 23 9.675 -1.056 -4.107 1.00 0.00 O ATOM 303 CB LEU A 23 6.736 -0.268 -3.808 1.00 0.00 C ATOM 304 CG LEU A 23 6.723 1.209 -3.414 1.00 0.00 C ATOM 305 CD1 LEU A 23 5.650 1.959 -4.190 1.00 0.00 C ATOM 306 CD2 LEU A 23 6.504 1.360 -1.916 1.00 0.00 C ATOM 0 H LEU A 23 7.598 -2.687 -4.732 1.00 0.00 H new ATOM 0 HA LEU A 23 7.172 0.005 -5.895 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.705 -0.597 -3.941 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.149 -0.841 -2.978 1.00 0.00 H new ATOM 0 HG LEU A 23 7.692 1.640 -3.664 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.655 3.009 -3.897 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.851 1.880 -5.258 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.674 1.526 -3.972 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.498 2.418 -1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.549 0.912 -1.641 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.308 0.858 -1.378 1.00 0.00 H new ATOM 318 N ASP A 24 9.513 0.691 -5.516 1.00 0.00 N ATOM 319 CA ASP A 24 10.918 1.062 -5.393 1.00 0.00 C ATOM 320 C ASP A 24 11.228 1.558 -3.984 1.00 0.00 C ATOM 321 O ASP A 24 10.458 2.320 -3.399 1.00 0.00 O ATOM 322 CB ASP A 24 11.274 2.140 -6.416 1.00 0.00 C ATOM 323 CG ASP A 24 12.767 2.230 -6.668 1.00 0.00 C ATOM 324 OD1 ASP A 24 13.492 1.291 -6.277 1.00 0.00 O ATOM 325 OD2 ASP A 24 13.210 3.239 -7.255 1.00 0.00 O ATOM 0 H ASP A 24 8.972 1.288 -6.141 1.00 0.00 H new ATOM 0 HA ASP A 24 11.521 0.175 -5.587 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.762 1.929 -7.355 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.909 3.105 -6.064 1.00 0.00 H new ATOM 330 N HIS A 25 12.360 1.119 -3.443 1.00 0.00 N ATOM 331 CA HIS A 25 12.772 1.518 -2.102 1.00 0.00 C ATOM 332 C HIS A 25 13.014 3.022 -2.033 1.00 0.00 C ATOM 333 O HIS A 25 13.156 3.589 -0.949 1.00 0.00 O ATOM 334 CB HIS A 25 14.038 0.767 -1.689 1.00 0.00 C ATOM 335 CG HIS A 25 15.154 0.884 -2.682 1.00 0.00 C ATOM 336 ND1 HIS A 25 16.134 1.850 -2.602 1.00 0.00 N ATOM 337 CD2 HIS A 25 15.443 0.147 -3.780 1.00 0.00 C ATOM 338 CE1 HIS A 25 16.977 1.704 -3.609 1.00 0.00 C ATOM 339 NE2 HIS A 25 16.580 0.677 -4.339 1.00 0.00 N ATOM 0 H HIS A 25 13.008 0.487 -3.913 1.00 0.00 H new ATOM 0 HA HIS A 25 11.967 1.265 -1.412 1.00 0.00 H new ATOM 0 HB2 HIS A 25 14.378 1.147 -0.726 1.00 0.00 H new ATOM 0 HB3 HIS A 25 13.796 -0.287 -1.549 1.00 0.00 H new ATOM 0 HD2 HIS A 25 14.883 -0.700 -4.148 1.00 0.00 H new ATOM 0 HE1 HIS A 25 17.843 2.319 -3.802 1.00 0.00 H new ATOM 0 HE2 HIS A 25 17.043 0.334 -5.181 1.00 0.00 H new ATOM 347 N ARG A 26 13.059 3.664 -3.196 1.00 0.00 N ATOM 348 CA ARG A 26 13.286 5.102 -3.268 1.00 0.00 C ATOM 349 C ARG A 26 12.011 5.870 -2.931 1.00 0.00 C ATOM 350 O ARG A 26 12.022 7.097 -2.831 1.00 0.00 O ATOM 351 CB ARG A 26 13.777 5.494 -4.662 1.00 0.00 C ATOM 352 CG ARG A 26 15.275 5.320 -4.852 1.00 0.00 C ATOM 353 CD ARG A 26 16.043 6.539 -4.367 1.00 0.00 C ATOM 354 NE ARG A 26 17.481 6.293 -4.310 1.00 0.00 N ATOM 355 CZ ARG A 26 18.059 5.519 -3.398 1.00 0.00 C ATOM 356 NH1 ARG A 26 17.324 4.919 -2.472 1.00 0.00 N ATOM 357 NH2 ARG A 26 19.374 5.344 -3.412 1.00 0.00 N ATOM 0 H ARG A 26 12.941 3.210 -4.102 1.00 0.00 H new ATOM 0 HA ARG A 26 14.051 5.361 -2.536 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.253 4.893 -5.405 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.514 6.535 -4.851 1.00 0.00 H new ATOM 0 HG2 ARG A 26 15.612 4.437 -4.309 1.00 0.00 H new ATOM 0 HG3 ARG A 26 15.492 5.148 -5.906 1.00 0.00 H new ATOM 0 HD2 ARG A 26 15.845 7.380 -5.032 1.00 0.00 H new ATOM 0 HD3 ARG A 26 15.684 6.823 -3.378 1.00 0.00 H new ATOM 0 HE ARG A 26 18.074 6.740 -5.009 1.00 0.00 H new ATOM 0 HH11 ARG A 26 16.313 5.051 -2.459 1.00 0.00 H new ATOM 0 HH12 ARG A 26 17.770 4.325 -1.773 1.00 0.00 H new ATOM 0 HH21 ARG A 26 19.942 5.804 -4.123 1.00 0.00 H new ATOM 0 HH22 ARG A 26 19.817 4.750 -2.711 1.00 0.00 H new ATOM 371 N VAL A 27 10.915 5.140 -2.757 1.00 0.00 N ATOM 372 CA VAL A 27 9.632 5.752 -2.431 1.00 0.00 C ATOM 373 C VAL A 27 9.061 5.177 -1.139 1.00 0.00 C ATOM 374 O VAL A 27 8.264 5.824 -0.458 1.00 0.00 O ATOM 375 CB VAL A 27 8.610 5.552 -3.565 1.00 0.00 C ATOM 376 CG1 VAL A 27 9.118 6.171 -4.858 1.00 0.00 C ATOM 377 CG2 VAL A 27 8.309 4.072 -3.755 1.00 0.00 C ATOM 0 H VAL A 27 10.889 4.123 -2.836 1.00 0.00 H new ATOM 0 HA VAL A 27 9.814 6.819 -2.301 1.00 0.00 H new ATOM 0 HB VAL A 27 7.684 6.056 -3.289 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.382 6.019 -5.648 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.278 7.239 -4.712 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.058 5.699 -5.143 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.585 3.948 -4.560 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.228 3.544 -4.009 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.898 3.663 -2.832 1.00 0.00 H new ATOM 387 N HIS A 28 9.474 3.958 -0.807 1.00 0.00 N ATOM 388 CA HIS A 28 9.005 3.296 0.404 1.00 0.00 C ATOM 389 C HIS A 28 8.782 4.307 1.525 1.00 0.00 C ATOM 390 O HIS A 28 7.653 4.521 1.965 1.00 0.00 O ATOM 391 CB HIS A 28 10.009 2.234 0.852 1.00 0.00 C ATOM 392 CG HIS A 28 9.895 0.945 0.098 1.00 0.00 C ATOM 393 ND1 HIS A 28 10.268 -0.273 0.627 1.00 0.00 N ATOM 394 CD2 HIS A 28 9.444 0.688 -1.153 1.00 0.00 C ATOM 395 CE1 HIS A 28 10.053 -1.222 -0.266 1.00 0.00 C ATOM 396 NE2 HIS A 28 9.553 -0.666 -1.355 1.00 0.00 N ATOM 0 H HIS A 28 10.132 3.409 -1.360 1.00 0.00 H new ATOM 0 HA HIS A 28 8.054 2.814 0.179 1.00 0.00 H new ATOM 0 HB2 HIS A 28 11.019 2.627 0.732 1.00 0.00 H new ATOM 0 HB3 HIS A 28 9.867 2.037 1.915 1.00 0.00 H new ATOM 0 HD2 HIS A 28 9.069 1.413 -1.860 1.00 0.00 H new ATOM 0 HE1 HIS A 28 10.252 -2.275 -0.129 1.00 0.00 H new ATOM 0 HE2 HIS A 28 9.291 -1.162 -2.207 1.00 0.00 H new ATOM 404 N ALA A 29 9.866 4.924 1.983 1.00 0.00 N ATOM 405 CA ALA A 29 9.789 5.913 3.051 1.00 0.00 C ATOM 406 C ALA A 29 8.821 7.035 2.691 1.00 0.00 C ATOM 407 O ALA A 29 7.962 7.407 3.491 1.00 0.00 O ATOM 408 CB ALA A 29 11.170 6.480 3.347 1.00 0.00 C ATOM 0 H ALA A 29 10.808 4.756 1.631 1.00 0.00 H new ATOM 0 HA ALA A 29 9.413 5.416 3.946 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.097 7.217 4.147 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.836 5.674 3.656 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.568 6.955 2.450 1.00 0.00 H new ATOM 414 N ARG A 30 8.965 7.570 1.483 1.00 0.00 N ATOM 415 CA ARG A 30 8.104 8.651 1.019 1.00 0.00 C ATOM 416 C ARG A 30 6.636 8.329 1.283 1.00 0.00 C ATOM 417 O ARG A 30 5.816 9.229 1.467 1.00 0.00 O ATOM 418 CB ARG A 30 8.322 8.900 -0.475 1.00 0.00 C ATOM 419 CG ARG A 30 9.752 9.274 -0.828 1.00 0.00 C ATOM 420 CD ARG A 30 10.134 10.626 -0.246 1.00 0.00 C ATOM 421 NE ARG A 30 11.566 10.887 -0.360 1.00 0.00 N ATOM 422 CZ ARG A 30 12.138 12.025 0.014 1.00 0.00 C ATOM 423 NH1 ARG A 30 11.403 13.004 0.524 1.00 0.00 N ATOM 424 NH2 ARG A 30 13.448 12.187 -0.121 1.00 0.00 N ATOM 0 H ARG A 30 9.670 7.273 0.808 1.00 0.00 H new ATOM 0 HA ARG A 30 8.365 9.553 1.573 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.043 8.004 -1.029 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.655 9.698 -0.803 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.432 8.510 -0.453 1.00 0.00 H new ATOM 0 HG3 ARG A 30 9.866 9.298 -1.912 1.00 0.00 H new ATOM 0 HD2 ARG A 30 9.580 11.411 -0.761 1.00 0.00 H new ATOM 0 HD3 ARG A 30 9.841 10.665 0.803 1.00 0.00 H new ATOM 0 HE ARG A 30 12.160 10.154 -0.749 1.00 0.00 H new ATOM 0 HH11 ARG A 30 10.396 12.884 0.630 1.00 0.00 H new ATOM 0 HH12 ARG A 30 11.845 13.877 0.811 1.00 0.00 H new ATOM 0 HH21 ARG A 30 14.017 11.437 -0.513 1.00 0.00 H new ATOM 0 HH22 ARG A 30 13.886 13.062 0.167 1.00 0.00 H new ATOM 438 N ILE A 31 6.312 7.041 1.299 1.00 0.00 N ATOM 439 CA ILE A 31 4.944 6.600 1.541 1.00 0.00 C ATOM 440 C ILE A 31 4.717 6.298 3.019 1.00 0.00 C ATOM 441 O ILE A 31 3.748 6.768 3.617 1.00 0.00 O ATOM 442 CB ILE A 31 4.601 5.347 0.714 1.00 0.00 C ATOM 443 CG1 ILE A 31 4.814 5.619 -0.776 1.00 0.00 C ATOM 444 CG2 ILE A 31 3.168 4.913 0.980 1.00 0.00 C ATOM 445 CD1 ILE A 31 4.658 4.390 -1.644 1.00 0.00 C ATOM 0 H ILE A 31 6.978 6.284 1.147 1.00 0.00 H new ATOM 0 HA ILE A 31 4.291 7.417 1.235 1.00 0.00 H new ATOM 0 HB ILE A 31 5.266 4.538 1.015 1.00 0.00 H new ATOM 0 HG12 ILE A 31 4.103 6.378 -1.104 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.812 6.033 -0.922 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.941 4.026 0.388 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.048 4.683 2.039 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.487 5.718 0.704 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.823 4.658 -2.688 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.387 3.637 -1.343 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.652 3.988 -1.527 1.00 0.00 H new ATOM 457 N ILE A 32 5.617 5.514 3.602 1.00 0.00 N ATOM 458 CA ILE A 32 5.516 5.152 5.010 1.00 0.00 C ATOM 459 C ILE A 32 5.314 6.386 5.882 1.00 0.00 C ATOM 460 O ILE A 32 4.425 6.421 6.731 1.00 0.00 O ATOM 461 CB ILE A 32 6.772 4.399 5.489 1.00 0.00 C ATOM 462 CG1 ILE A 32 6.864 3.032 4.808 1.00 0.00 C ATOM 463 CG2 ILE A 32 6.750 4.242 7.002 1.00 0.00 C ATOM 464 CD1 ILE A 32 8.271 2.480 4.749 1.00 0.00 C ATOM 0 H ILE A 32 6.424 5.117 3.121 1.00 0.00 H new ATOM 0 HA ILE A 32 4.650 4.497 5.106 1.00 0.00 H new ATOM 0 HB ILE A 32 7.653 4.980 5.216 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.227 2.326 5.341 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.471 3.113 3.794 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.644 3.708 7.325 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.726 5.226 7.470 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.864 3.679 7.297 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.260 1.509 4.253 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.908 3.166 4.190 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.660 2.367 5.761 1.00 0.00 H new ATOM 476 N GLY A 33 6.146 7.401 5.664 1.00 0.00 N ATOM 477 CA GLY A 33 6.041 8.625 6.436 1.00 0.00 C ATOM 478 C GLY A 33 7.000 8.653 7.611 1.00 0.00 C ATOM 479 O GLY A 33 8.077 8.062 7.555 1.00 0.00 O ATOM 0 H GLY A 33 6.890 7.397 4.967 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.240 9.478 5.788 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.020 8.734 6.801 1.00 0.00 H new ATOM 483 N ALA A 34 6.607 9.344 8.676 1.00 0.00 N ATOM 484 CA ALA A 34 7.439 9.447 9.868 1.00 0.00 C ATOM 485 C ALA A 34 7.126 8.326 10.854 1.00 0.00 C ATOM 486 O ALA A 34 7.974 7.478 11.133 1.00 0.00 O ATOM 487 CB ALA A 34 7.247 10.804 10.530 1.00 0.00 C ATOM 0 H ALA A 34 5.718 9.840 8.737 1.00 0.00 H new ATOM 0 HA ALA A 34 8.481 9.348 9.564 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.874 10.867 11.419 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.527 11.592 9.831 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.202 10.926 10.814 1.00 0.00 H new ATOM 493 N ARG A 35 5.906 8.330 11.379 1.00 0.00 N ATOM 494 CA ARG A 35 5.482 7.314 12.336 1.00 0.00 C ATOM 495 C ARG A 35 4.478 6.356 11.702 1.00 0.00 C ATOM 496 O ARG A 35 3.715 5.689 12.401 1.00 0.00 O ATOM 497 CB ARG A 35 4.867 7.972 13.572 1.00 0.00 C ATOM 498 CG ARG A 35 3.663 8.847 13.260 1.00 0.00 C ATOM 499 CD ARG A 35 3.156 9.559 14.504 1.00 0.00 C ATOM 500 NE ARG A 35 4.063 10.618 14.938 1.00 0.00 N ATOM 501 CZ ARG A 35 3.991 11.207 16.126 1.00 0.00 C ATOM 502 NH1 ARG A 35 3.058 10.843 16.995 1.00 0.00 N ATOM 503 NH2 ARG A 35 4.853 12.164 16.447 1.00 0.00 N ATOM 0 H ARG A 35 5.193 9.025 11.158 1.00 0.00 H new ATOM 0 HA ARG A 35 6.361 6.744 12.637 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.569 7.195 14.276 1.00 0.00 H new ATOM 0 HB3 ARG A 35 5.627 8.577 14.067 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.933 9.583 12.503 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.866 8.234 12.839 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.173 9.984 14.303 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.032 8.836 15.310 1.00 0.00 H new ATOM 0 HE ARG A 35 4.792 10.922 14.293 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.393 10.109 16.752 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.005 11.297 17.907 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.572 12.448 15.781 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.797 12.616 17.360 1.00 0.00 H new ATOM 517 N GLY A 36 4.483 6.294 10.374 1.00 0.00 N ATOM 518 CA GLY A 36 3.567 5.416 9.669 1.00 0.00 C ATOM 519 C GLY A 36 2.167 5.988 9.581 1.00 0.00 C ATOM 520 O GLY A 36 1.196 5.252 9.401 1.00 0.00 O ATOM 0 H GLY A 36 5.105 6.836 9.774 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.945 5.234 8.663 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.531 4.452 10.176 1.00 0.00 H new ATOM 524 N LYS A 37 2.059 7.306 9.709 1.00 0.00 N ATOM 525 CA LYS A 37 0.767 7.979 9.644 1.00 0.00 C ATOM 526 C LYS A 37 0.373 8.261 8.197 1.00 0.00 C ATOM 527 O LYS A 37 -0.810 8.281 7.859 1.00 0.00 O ATOM 528 CB LYS A 37 0.809 9.287 10.437 1.00 0.00 C ATOM 529 CG LYS A 37 1.473 10.430 9.689 1.00 0.00 C ATOM 530 CD LYS A 37 1.300 11.751 10.420 1.00 0.00 C ATOM 531 CE LYS A 37 2.156 12.846 9.804 1.00 0.00 C ATOM 532 NZ LYS A 37 1.519 13.431 8.591 1.00 0.00 N ATOM 0 H LYS A 37 2.852 7.930 9.859 1.00 0.00 H new ATOM 0 HA LYS A 37 0.019 7.319 10.084 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.209 9.577 10.698 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.342 9.118 11.373 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.535 10.217 9.567 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.046 10.508 8.689 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.252 12.049 10.392 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.568 11.625 11.469 1.00 0.00 H new ATOM 0 HE2 LYS A 37 2.326 13.632 10.540 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.133 12.439 9.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.133 14.174 8.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 1.380 12.686 7.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.598 13.842 8.846 1.00 0.00 H new ATOM 546 N ALA A 38 1.372 8.477 7.348 1.00 0.00 N ATOM 547 CA ALA A 38 1.130 8.754 5.938 1.00 0.00 C ATOM 548 C ALA A 38 0.561 7.531 5.228 1.00 0.00 C ATOM 549 O ALA A 38 -0.315 7.650 4.371 1.00 0.00 O ATOM 550 CB ALA A 38 2.414 9.211 5.261 1.00 0.00 C ATOM 0 H ALA A 38 2.357 8.465 7.612 1.00 0.00 H new ATOM 0 HA ALA A 38 0.393 9.555 5.872 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.218 9.414 4.208 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.777 10.118 5.744 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.168 8.428 5.345 1.00 0.00 H new ATOM 556 N ILE A 39 1.065 6.356 5.589 1.00 0.00 N ATOM 557 CA ILE A 39 0.606 5.110 4.986 1.00 0.00 C ATOM 558 C ILE A 39 -0.757 4.703 5.536 1.00 0.00 C ATOM 559 O ILE A 39 -1.595 4.167 4.810 1.00 0.00 O ATOM 560 CB ILE A 39 1.608 3.965 5.228 1.00 0.00 C ATOM 561 CG1 ILE A 39 1.171 2.709 4.472 1.00 0.00 C ATOM 562 CG2 ILE A 39 1.735 3.678 6.716 1.00 0.00 C ATOM 563 CD1 ILE A 39 1.632 2.678 3.032 1.00 0.00 C ATOM 0 H ILE A 39 1.791 6.240 6.296 1.00 0.00 H new ATOM 0 HA ILE A 39 0.524 5.289 3.914 1.00 0.00 H new ATOM 0 HB ILE A 39 2.585 4.270 4.853 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.559 1.831 4.988 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.084 2.639 4.498 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.446 2.867 6.871 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.087 4.572 7.230 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.763 3.389 7.115 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.286 1.759 2.559 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.222 3.537 2.500 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.721 2.716 2.998 1.00 0.00 H new ATOM 575 N ARG A 40 -0.971 4.961 6.822 1.00 0.00 N ATOM 576 CA ARG A 40 -2.233 4.622 7.469 1.00 0.00 C ATOM 577 C ARG A 40 -3.417 5.131 6.652 1.00 0.00 C ATOM 578 O ARG A 40 -4.503 4.552 6.685 1.00 0.00 O ATOM 579 CB ARG A 40 -2.282 5.212 8.879 1.00 0.00 C ATOM 580 CG ARG A 40 -3.311 4.550 9.781 1.00 0.00 C ATOM 581 CD ARG A 40 -3.074 3.052 9.891 1.00 0.00 C ATOM 582 NE ARG A 40 -3.603 2.504 11.136 1.00 0.00 N ATOM 583 CZ ARG A 40 -3.340 1.276 11.570 1.00 0.00 C ATOM 584 NH1 ARG A 40 -2.557 0.473 10.862 1.00 0.00 N ATOM 585 NH2 ARG A 40 -3.859 0.849 12.714 1.00 0.00 N ATOM 0 H ARG A 40 -0.287 5.403 7.436 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.299 3.536 7.534 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.297 5.120 9.337 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.503 6.277 8.811 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.270 5.000 10.773 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.311 4.733 9.389 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.542 2.548 9.045 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.005 2.849 9.831 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.208 3.097 11.704 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.155 0.798 9.982 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.356 -0.469 11.197 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.461 1.464 13.262 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.656 -0.094 13.046 1.00 0.00 H new ATOM 599 N LYS A 41 -3.200 6.217 5.919 1.00 0.00 N ATOM 600 CA LYS A 41 -4.248 6.805 5.092 1.00 0.00 C ATOM 601 C LYS A 41 -4.717 5.819 4.027 1.00 0.00 C ATOM 602 O LYS A 41 -5.908 5.525 3.921 1.00 0.00 O ATOM 603 CB LYS A 41 -3.743 8.088 4.428 1.00 0.00 C ATOM 604 CG LYS A 41 -4.437 8.407 3.115 1.00 0.00 C ATOM 605 CD LYS A 41 -3.969 9.736 2.546 1.00 0.00 C ATOM 606 CE LYS A 41 -4.258 10.884 3.501 1.00 0.00 C ATOM 607 NZ LYS A 41 -4.395 12.182 2.784 1.00 0.00 N ATOM 0 H LYS A 41 -2.307 6.709 5.880 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.093 7.046 5.737 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.883 8.922 5.115 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.671 7.998 4.250 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.240 7.612 2.396 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.516 8.436 3.270 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.899 9.690 2.344 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.465 9.920 1.593 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.175 10.675 4.052 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.455 10.957 4.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.591 12.939 3.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.511 12.394 2.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.178 12.121 2.102 1.00 0.00 H new ATOM 621 N ILE A 42 -3.774 5.311 3.240 1.00 0.00 N ATOM 622 CA ILE A 42 -4.092 4.357 2.185 1.00 0.00 C ATOM 623 C ILE A 42 -4.715 3.090 2.760 1.00 0.00 C ATOM 624 O ILE A 42 -5.671 2.549 2.205 1.00 0.00 O ATOM 625 CB ILE A 42 -2.839 3.977 1.374 1.00 0.00 C ATOM 626 CG1 ILE A 42 -2.203 5.227 0.761 1.00 0.00 C ATOM 627 CG2 ILE A 42 -3.195 2.971 0.290 1.00 0.00 C ATOM 628 CD1 ILE A 42 -0.718 5.087 0.508 1.00 0.00 C ATOM 0 H ILE A 42 -2.784 5.544 3.313 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.809 4.844 1.524 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.115 3.516 2.046 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.704 5.455 -0.180 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.372 6.074 1.426 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -2.299 2.712 -0.275 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.607 2.072 0.749 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.934 3.407 -0.382 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.334 6.010 0.073 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -0.206 4.889 1.449 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.543 4.261 -0.181 1.00 0.00 H new ATOM 640 N MET A 43 -4.168 2.622 3.877 1.00 0.00 N ATOM 641 CA MET A 43 -4.673 1.419 4.529 1.00 0.00 C ATOM 642 C MET A 43 -6.152 1.566 4.870 1.00 0.00 C ATOM 643 O MET A 43 -6.937 0.635 4.685 1.00 0.00 O ATOM 644 CB MET A 43 -3.872 1.127 5.800 1.00 0.00 C ATOM 645 CG MET A 43 -2.546 0.432 5.536 1.00 0.00 C ATOM 646 SD MET A 43 -1.812 -0.255 7.032 1.00 0.00 S ATOM 647 CE MET A 43 -0.290 0.684 7.125 1.00 0.00 C ATOM 0 H MET A 43 -3.376 3.057 4.349 1.00 0.00 H new ATOM 0 HA MET A 43 -4.559 0.585 3.836 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.684 2.064 6.324 1.00 0.00 H new ATOM 0 HB3 MET A 43 -4.473 0.505 6.464 1.00 0.00 H new ATOM 0 HG2 MET A 43 -2.697 -0.367 4.810 1.00 0.00 H new ATOM 0 HG3 MET A 43 -1.851 1.142 5.088 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.052 0.889 8.169 1.00 0.00 H new ATOM 0 HE2 MET A 43 0.520 0.110 6.674 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.410 1.625 6.589 1.00 0.00 H new ATOM 657 N ASP A 44 -6.527 2.739 5.368 1.00 0.00 N ATOM 658 CA ASP A 44 -7.913 3.008 5.733 1.00 0.00 C ATOM 659 C ASP A 44 -8.747 3.333 4.499 1.00 0.00 C ATOM 660 O ASP A 44 -9.949 3.071 4.464 1.00 0.00 O ATOM 661 CB ASP A 44 -7.984 4.164 6.732 1.00 0.00 C ATOM 662 CG ASP A 44 -7.896 3.693 8.170 1.00 0.00 C ATOM 663 OD1 ASP A 44 -8.865 3.069 8.651 1.00 0.00 O ATOM 664 OD2 ASP A 44 -6.857 3.947 8.815 1.00 0.00 O ATOM 0 H ASP A 44 -5.890 3.519 5.528 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.321 2.111 6.198 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.173 4.864 6.532 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -8.917 4.708 6.588 1.00 0.00 H new ATOM 669 N GLU A 45 -8.101 3.907 3.488 1.00 0.00 N ATOM 670 CA GLU A 45 -8.785 4.270 2.253 1.00 0.00 C ATOM 671 C GLU A 45 -9.553 3.079 1.686 1.00 0.00 C ATOM 672 O GLU A 45 -10.745 3.178 1.393 1.00 0.00 O ATOM 673 CB GLU A 45 -7.780 4.781 1.218 1.00 0.00 C ATOM 674 CG GLU A 45 -8.429 5.329 -0.041 1.00 0.00 C ATOM 675 CD GLU A 45 -9.051 6.696 0.170 1.00 0.00 C ATOM 676 OE1 GLU A 45 -8.295 7.688 0.235 1.00 0.00 O ATOM 677 OE2 GLU A 45 -10.293 6.773 0.271 1.00 0.00 O ATOM 0 H GLU A 45 -7.106 4.130 3.501 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.496 5.064 2.482 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.170 5.562 1.671 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.107 3.968 0.945 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.682 5.392 -0.832 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.196 4.634 -0.382 1.00 0.00 H new ATOM 684 N PHE A 46 -8.862 1.955 1.534 1.00 0.00 N ATOM 685 CA PHE A 46 -9.477 0.745 1.001 1.00 0.00 C ATOM 686 C PHE A 46 -9.526 -0.352 2.060 1.00 0.00 C ATOM 687 O PHE A 46 -9.898 -1.491 1.775 1.00 0.00 O ATOM 688 CB PHE A 46 -8.706 0.252 -0.225 1.00 0.00 C ATOM 689 CG PHE A 46 -8.444 1.328 -1.240 1.00 0.00 C ATOM 690 CD1 PHE A 46 -7.309 2.118 -1.155 1.00 0.00 C ATOM 691 CD2 PHE A 46 -9.333 1.549 -2.280 1.00 0.00 C ATOM 692 CE1 PHE A 46 -7.065 3.108 -2.088 1.00 0.00 C ATOM 693 CE2 PHE A 46 -9.094 2.537 -3.216 1.00 0.00 C ATOM 694 CZ PHE A 46 -7.959 3.318 -3.119 1.00 0.00 C ATOM 0 H PHE A 46 -7.875 1.856 1.772 1.00 0.00 H new ATOM 0 HA PHE A 46 -10.498 0.987 0.706 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -7.755 -0.170 0.099 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -9.268 -0.554 -0.698 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.607 1.958 -0.350 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -10.223 0.942 -2.360 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -6.176 3.717 -2.011 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -9.794 2.698 -4.023 1.00 0.00 H new ATOM 0 HZ PHE A 46 -7.771 4.092 -3.849 1.00 0.00 H new ATOM 704 N LYS A 47 -9.147 -0.002 3.285 1.00 0.00 N ATOM 705 CA LYS A 47 -9.147 -0.954 4.388 1.00 0.00 C ATOM 706 C LYS A 47 -8.196 -2.113 4.107 1.00 0.00 C ATOM 707 O LYS A 47 -8.535 -3.276 4.328 1.00 0.00 O ATOM 708 CB LYS A 47 -10.561 -1.488 4.628 1.00 0.00 C ATOM 709 CG LYS A 47 -11.535 -0.431 5.118 1.00 0.00 C ATOM 710 CD LYS A 47 -11.928 0.525 4.004 1.00 0.00 C ATOM 711 CE LYS A 47 -13.336 1.064 4.202 1.00 0.00 C ATOM 712 NZ LYS A 47 -13.348 2.283 5.058 1.00 0.00 N ATOM 0 H LYS A 47 -8.836 0.936 3.538 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.804 -0.435 5.283 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.940 -1.918 3.701 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.516 -2.296 5.359 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -12.428 -0.914 5.516 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.084 0.129 5.937 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -11.222 1.354 3.969 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -11.865 0.012 3.044 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.775 1.297 3.232 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -13.959 0.294 4.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.326 2.620 5.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -12.952 2.055 5.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -12.774 3.027 4.611 1.00 0.00 H new ATOM 726 N VAL A 48 -7.003 -1.788 3.619 1.00 0.00 N ATOM 727 CA VAL A 48 -6.001 -2.802 3.310 1.00 0.00 C ATOM 728 C VAL A 48 -4.797 -2.685 4.237 1.00 0.00 C ATOM 729 O VAL A 48 -4.605 -1.663 4.897 1.00 0.00 O ATOM 730 CB VAL A 48 -5.524 -2.693 1.850 1.00 0.00 C ATOM 731 CG1 VAL A 48 -6.675 -2.956 0.891 1.00 0.00 C ATOM 732 CG2 VAL A 48 -4.906 -1.327 1.592 1.00 0.00 C ATOM 0 H VAL A 48 -6.707 -0.831 3.429 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.476 -3.772 3.457 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.759 -3.451 1.678 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.319 -2.875 -0.136 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.068 -3.959 1.060 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.464 -2.224 1.060 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.574 -1.268 0.555 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.647 -0.551 1.781 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.053 -1.183 2.255 1.00 0.00 H new ATOM 742 N ASP A 49 -3.987 -3.737 4.282 1.00 0.00 N ATOM 743 CA ASP A 49 -2.799 -3.753 5.127 1.00 0.00 C ATOM 744 C ASP A 49 -1.534 -3.882 4.284 1.00 0.00 C ATOM 745 O ASP A 49 -1.269 -4.934 3.703 1.00 0.00 O ATOM 746 CB ASP A 49 -2.877 -4.903 6.132 1.00 0.00 C ATOM 747 CG ASP A 49 -1.539 -5.193 6.784 1.00 0.00 C ATOM 748 OD1 ASP A 49 -0.873 -4.233 7.225 1.00 0.00 O ATOM 749 OD2 ASP A 49 -1.160 -6.381 6.855 1.00 0.00 O ATOM 0 H ASP A 49 -4.132 -4.591 3.743 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.757 -2.809 5.670 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.608 -4.659 6.903 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.234 -5.800 5.626 1.00 0.00 H new ATOM 754 N ILE A 50 -0.758 -2.805 4.222 1.00 0.00 N ATOM 755 CA ILE A 50 0.478 -2.798 3.450 1.00 0.00 C ATOM 756 C ILE A 50 1.660 -3.248 4.302 1.00 0.00 C ATOM 757 O ILE A 50 2.004 -2.605 5.294 1.00 0.00 O ATOM 758 CB ILE A 50 0.776 -1.401 2.876 1.00 0.00 C ATOM 759 CG1 ILE A 50 -0.442 -0.866 2.120 1.00 0.00 C ATOM 760 CG2 ILE A 50 1.992 -1.452 1.963 1.00 0.00 C ATOM 761 CD1 ILE A 50 -0.503 0.644 2.065 1.00 0.00 C ATOM 0 H ILE A 50 -0.964 -1.926 4.697 1.00 0.00 H new ATOM 0 HA ILE A 50 0.339 -3.498 2.626 1.00 0.00 H new ATOM 0 HB ILE A 50 0.994 -0.724 3.702 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.430 -1.258 1.103 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.348 -1.241 2.595 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.190 -0.457 1.565 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.858 -1.795 2.529 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.800 -2.140 1.140 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.392 0.952 1.514 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.547 1.044 3.078 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.386 1.026 1.563 1.00 0.00 H new ATOM 773 N ARG A 51 2.280 -4.355 3.907 1.00 0.00 N ATOM 774 CA ARG A 51 3.425 -4.891 4.634 1.00 0.00 C ATOM 775 C ARG A 51 4.721 -4.635 3.871 1.00 0.00 C ATOM 776 O ARG A 51 4.947 -5.201 2.802 1.00 0.00 O ATOM 777 CB ARG A 51 3.248 -6.392 4.872 1.00 0.00 C ATOM 778 CG ARG A 51 3.924 -6.891 6.138 1.00 0.00 C ATOM 779 CD ARG A 51 5.438 -6.894 5.998 1.00 0.00 C ATOM 780 NE ARG A 51 6.105 -7.196 7.262 1.00 0.00 N ATOM 781 CZ ARG A 51 6.199 -6.333 8.267 1.00 0.00 C ATOM 782 NH1 ARG A 51 5.672 -5.121 8.157 1.00 0.00 N ATOM 783 NH2 ARG A 51 6.821 -6.681 9.387 1.00 0.00 N ATOM 0 H ARG A 51 2.009 -4.898 3.088 1.00 0.00 H new ATOM 0 HA ARG A 51 3.484 -4.382 5.596 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.183 -6.620 4.925 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.649 -6.937 4.017 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.637 -6.259 6.978 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.577 -7.899 6.364 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.731 -7.630 5.249 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.770 -5.921 5.636 1.00 0.00 H new ATOM 0 HE ARG A 51 6.521 -8.120 7.379 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.193 -4.849 7.299 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.746 -4.461 8.931 1.00 0.00 H new ATOM 0 HH21 ARG A 51 7.227 -7.612 9.476 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.892 -6.017 10.158 1.00 0.00 H new ATOM 797 N PHE A 52 5.570 -3.778 4.429 1.00 0.00 N ATOM 798 CA PHE A 52 6.844 -3.445 3.800 1.00 0.00 C ATOM 799 C PHE A 52 7.899 -4.500 4.119 1.00 0.00 C ATOM 800 O PHE A 52 7.875 -5.141 5.170 1.00 0.00 O ATOM 801 CB PHE A 52 7.324 -2.070 4.269 1.00 0.00 C ATOM 802 CG PHE A 52 6.610 -0.928 3.604 1.00 0.00 C ATOM 803 CD1 PHE A 52 6.953 -0.532 2.321 1.00 0.00 C ATOM 804 CD2 PHE A 52 5.598 -0.249 4.262 1.00 0.00 C ATOM 805 CE1 PHE A 52 6.298 0.518 1.706 1.00 0.00 C ATOM 806 CE2 PHE A 52 4.939 0.802 3.652 1.00 0.00 C ATOM 807 CZ PHE A 52 5.291 1.187 2.373 1.00 0.00 C ATOM 0 H PHE A 52 5.399 -3.302 5.315 1.00 0.00 H new ATOM 0 HA PHE A 52 6.693 -3.421 2.721 1.00 0.00 H new ATOM 0 HB2 PHE A 52 7.188 -1.995 5.348 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.393 -1.982 4.076 1.00 0.00 H new ATOM 0 HD1 PHE A 52 7.742 -1.050 1.796 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.321 -0.544 5.263 1.00 0.00 H new ATOM 0 HE1 PHE A 52 6.573 0.815 0.705 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.150 1.322 4.175 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.780 2.010 1.896 1.00 0.00 H new ATOM 817 N PRO A 53 8.848 -4.686 3.190 1.00 0.00 N ATOM 818 CA PRO A 53 9.930 -5.663 3.348 1.00 0.00 C ATOM 819 C PRO A 53 10.928 -5.253 4.426 1.00 0.00 C ATOM 820 O PRO A 53 11.450 -4.138 4.409 1.00 0.00 O ATOM 821 CB PRO A 53 10.603 -5.672 1.973 1.00 0.00 C ATOM 822 CG PRO A 53 10.298 -4.335 1.392 1.00 0.00 C ATOM 823 CD PRO A 53 8.939 -3.957 1.913 1.00 0.00 C ATOM 0 HA PRO A 53 9.556 -6.638 3.662 1.00 0.00 H new ATOM 0 HB2 PRO A 53 11.678 -5.830 2.060 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.213 -6.474 1.347 1.00 0.00 H new ATOM 0 HG2 PRO A 53 11.047 -3.601 1.688 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.302 -4.373 0.303 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.849 -2.880 2.058 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.148 -4.253 1.224 1.00 0.00 H new ATOM 831 N GLN A 54 11.188 -6.160 5.361 1.00 0.00 N ATOM 832 CA GLN A 54 12.123 -5.892 6.447 1.00 0.00 C ATOM 833 C GLN A 54 13.561 -6.142 6.001 1.00 0.00 C ATOM 834 O GLN A 54 13.801 -6.793 4.985 1.00 0.00 O ATOM 835 CB GLN A 54 11.794 -6.763 7.660 1.00 0.00 C ATOM 836 CG GLN A 54 10.715 -6.177 8.555 1.00 0.00 C ATOM 837 CD GLN A 54 11.250 -5.113 9.494 1.00 0.00 C ATOM 838 OE1 GLN A 54 12.397 -5.179 9.936 1.00 0.00 O ATOM 839 NE2 GLN A 54 10.419 -4.124 9.803 1.00 0.00 N ATOM 0 H GLN A 54 10.764 -7.087 5.389 1.00 0.00 H new ATOM 0 HA GLN A 54 12.025 -4.843 6.726 1.00 0.00 H new ATOM 0 HB2 GLN A 54 11.474 -7.746 7.315 1.00 0.00 H new ATOM 0 HB3 GLN A 54 12.700 -6.911 8.247 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.928 -5.747 7.935 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.259 -6.976 9.140 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.476 -4.109 9.413 1.00 0.00 H new ATOM 0 HE22 GLN A 54 10.723 -3.379 10.430 1.00 0.00 H new ATOM 848 N SER A 55 14.512 -5.620 6.769 1.00 0.00 N ATOM 849 CA SER A 55 15.926 -5.783 6.451 1.00 0.00 C ATOM 850 C SER A 55 16.238 -7.232 6.091 1.00 0.00 C ATOM 851 O SER A 55 17.185 -7.511 5.357 1.00 0.00 O ATOM 852 CB SER A 55 16.790 -5.341 7.633 1.00 0.00 C ATOM 853 OG SER A 55 16.951 -3.933 7.650 1.00 0.00 O ATOM 0 H SER A 55 14.329 -5.081 7.615 1.00 0.00 H new ATOM 0 HA SER A 55 16.154 -5.156 5.589 1.00 0.00 H new ATOM 0 HB2 SER A 55 16.331 -5.669 8.566 1.00 0.00 H new ATOM 0 HB3 SER A 55 17.767 -5.821 7.573 1.00 0.00 H new ATOM 0 HG SER A 55 17.506 -3.676 8.416 1.00 0.00 H new ATOM 859 N GLY A 56 15.433 -8.152 6.615 1.00 0.00 N ATOM 860 CA GLY A 56 15.639 -9.562 6.340 1.00 0.00 C ATOM 861 C GLY A 56 14.603 -10.123 5.386 1.00 0.00 C ATOM 862 O GLY A 56 14.229 -11.291 5.484 1.00 0.00 O ATOM 0 H GLY A 56 14.642 -7.946 7.225 1.00 0.00 H new ATOM 0 HA2 GLY A 56 16.633 -9.705 5.917 1.00 0.00 H new ATOM 0 HA3 GLY A 56 15.607 -10.120 7.276 1.00 0.00 H new ATOM 866 N ALA A 57 14.138 -9.289 4.462 1.00 0.00 N ATOM 867 CA ALA A 57 13.140 -9.709 3.487 1.00 0.00 C ATOM 868 C ALA A 57 13.789 -10.064 2.154 1.00 0.00 C ATOM 869 O ALA A 57 14.821 -9.511 1.771 1.00 0.00 O ATOM 870 CB ALA A 57 12.098 -8.617 3.294 1.00 0.00 C ATOM 0 H ALA A 57 14.437 -8.318 4.368 1.00 0.00 H new ATOM 0 HA ALA A 57 12.648 -10.603 3.871 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.359 -8.945 2.563 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.604 -8.414 4.244 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.584 -7.709 2.937 1.00 0.00 H new ATOM 876 N PRO A 58 13.175 -11.010 1.428 1.00 0.00 N ATOM 877 CA PRO A 58 13.676 -11.460 0.126 1.00 0.00 C ATOM 878 C PRO A 58 13.525 -10.394 -0.954 1.00 0.00 C ATOM 879 O PRO A 58 14.336 -10.312 -1.876 1.00 0.00 O ATOM 880 CB PRO A 58 12.798 -12.673 -0.192 1.00 0.00 C ATOM 881 CG PRO A 58 11.539 -12.439 0.569 1.00 0.00 C ATOM 882 CD PRO A 58 11.942 -11.712 1.822 1.00 0.00 C ATOM 0 HA PRO A 58 14.742 -11.685 0.155 1.00 0.00 H new ATOM 0 HB2 PRO A 58 12.605 -12.752 -1.262 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.279 -13.602 0.115 1.00 0.00 H new ATOM 0 HG2 PRO A 58 10.834 -11.848 -0.015 1.00 0.00 H new ATOM 0 HG3 PRO A 58 11.045 -13.381 0.806 1.00 0.00 H new ATOM 0 HD2 PRO A 58 11.170 -11.015 2.148 1.00 0.00 H new ATOM 0 HD3 PRO A 58 12.119 -12.402 2.647 1.00 0.00 H new ATOM 890 N ASP A 59 12.482 -9.580 -0.832 1.00 0.00 N ATOM 891 CA ASP A 59 12.225 -8.518 -1.798 1.00 0.00 C ATOM 892 C ASP A 59 12.126 -7.164 -1.102 1.00 0.00 C ATOM 893 O ASP A 59 11.053 -6.732 -0.681 1.00 0.00 O ATOM 894 CB ASP A 59 10.937 -8.803 -2.571 1.00 0.00 C ATOM 895 CG ASP A 59 11.094 -9.942 -3.559 1.00 0.00 C ATOM 896 OD1 ASP A 59 11.047 -11.113 -3.127 1.00 0.00 O ATOM 897 OD2 ASP A 59 11.264 -9.663 -4.764 1.00 0.00 O ATOM 0 H ASP A 59 11.801 -9.635 -0.074 1.00 0.00 H new ATOM 0 HA ASP A 59 13.060 -8.487 -2.498 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.140 -9.044 -1.867 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.630 -7.903 -3.104 1.00 0.00 H new ATOM 902 N PRO A 60 13.272 -6.477 -0.978 1.00 0.00 N ATOM 903 CA PRO A 60 13.341 -5.162 -0.333 1.00 0.00 C ATOM 904 C PRO A 60 12.665 -4.075 -1.161 1.00 0.00 C ATOM 905 O PRO A 60 12.554 -2.930 -0.726 1.00 0.00 O ATOM 906 CB PRO A 60 14.845 -4.897 -0.228 1.00 0.00 C ATOM 907 CG PRO A 60 15.449 -5.706 -1.323 1.00 0.00 C ATOM 908 CD PRO A 60 14.588 -6.932 -1.457 1.00 0.00 C ATOM 0 HA PRO A 60 12.825 -5.151 0.627 1.00 0.00 H new ATOM 0 HB2 PRO A 60 15.070 -3.837 -0.348 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.233 -5.196 0.746 1.00 0.00 H new ATOM 0 HG2 PRO A 60 15.474 -5.143 -2.256 1.00 0.00 H new ATOM 0 HG3 PRO A 60 16.478 -5.976 -1.086 1.00 0.00 H new ATOM 0 HD2 PRO A 60 14.542 -7.280 -2.489 1.00 0.00 H new ATOM 0 HD3 PRO A 60 14.970 -7.759 -0.858 1.00 0.00 H new ATOM 916 N ASN A 61 12.214 -4.442 -2.357 1.00 0.00 N ATOM 917 CA ASN A 61 11.549 -3.496 -3.246 1.00 0.00 C ATOM 918 C ASN A 61 10.119 -3.939 -3.539 1.00 0.00 C ATOM 919 O ASN A 61 9.477 -3.431 -4.459 1.00 0.00 O ATOM 920 CB ASN A 61 12.330 -3.358 -4.554 1.00 0.00 C ATOM 921 CG ASN A 61 12.988 -4.658 -4.975 1.00 0.00 C ATOM 922 OD1 ASN A 61 12.313 -5.660 -5.214 1.00 0.00 O ATOM 923 ND2 ASN A 61 14.313 -4.648 -5.066 1.00 0.00 N ATOM 0 H ASN A 61 12.297 -5.387 -2.732 1.00 0.00 H new ATOM 0 HA ASN A 61 11.516 -2.528 -2.747 1.00 0.00 H new ATOM 0 HB2 ASN A 61 11.656 -3.023 -5.343 1.00 0.00 H new ATOM 0 HB3 ASN A 61 13.093 -2.588 -4.439 1.00 0.00 H new ATOM 0 HD21 ASN A 61 14.812 -5.494 -5.343 1.00 0.00 H new ATOM 0 HD22 ASN A 61 14.832 -3.795 -4.859 1.00 0.00 H new ATOM 930 N CYS A 62 9.626 -4.888 -2.750 1.00 0.00 N ATOM 931 CA CYS A 62 8.271 -5.400 -2.924 1.00 0.00 C ATOM 932 C CYS A 62 7.494 -5.338 -1.614 1.00 0.00 C ATOM 933 O CYS A 62 8.037 -5.616 -0.544 1.00 0.00 O ATOM 934 CB CYS A 62 8.310 -6.838 -3.441 1.00 0.00 C ATOM 935 SG CYS A 62 6.795 -7.364 -4.277 1.00 0.00 S ATOM 0 H CYS A 62 10.144 -5.318 -1.984 1.00 0.00 H new ATOM 0 HA CYS A 62 7.763 -4.772 -3.656 1.00 0.00 H new ATOM 0 HB2 CYS A 62 9.148 -6.942 -4.131 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.502 -7.509 -2.603 1.00 0.00 H new ATOM 0 HG CYS A 62 6.926 -8.593 -4.680 1.00 0.00 H new ATOM 941 N VAL A 63 6.219 -4.971 -1.704 1.00 0.00 N ATOM 942 CA VAL A 63 5.367 -4.872 -0.525 1.00 0.00 C ATOM 943 C VAL A 63 4.195 -5.843 -0.612 1.00 0.00 C ATOM 944 O VAL A 63 3.622 -6.049 -1.683 1.00 0.00 O ATOM 945 CB VAL A 63 4.823 -3.443 -0.344 1.00 0.00 C ATOM 946 CG1 VAL A 63 5.955 -2.428 -0.408 1.00 0.00 C ATOM 947 CG2 VAL A 63 3.764 -3.139 -1.393 1.00 0.00 C ATOM 0 H VAL A 63 5.754 -4.737 -2.581 1.00 0.00 H new ATOM 0 HA VAL A 63 5.985 -5.129 0.335 1.00 0.00 H new ATOM 0 HB VAL A 63 4.358 -3.372 0.640 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.551 -1.424 -0.278 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.675 -2.635 0.384 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.451 -2.497 -1.376 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.391 -2.125 -1.250 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.201 -3.228 -2.388 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.940 -3.846 -1.294 1.00 0.00 H new ATOM 957 N THR A 64 3.841 -6.438 0.523 1.00 0.00 N ATOM 958 CA THR A 64 2.737 -7.389 0.576 1.00 0.00 C ATOM 959 C THR A 64 1.475 -6.734 1.125 1.00 0.00 C ATOM 960 O THR A 64 1.370 -6.471 2.323 1.00 0.00 O ATOM 961 CB THR A 64 3.089 -8.610 1.446 1.00 0.00 C ATOM 962 OG1 THR A 64 4.279 -9.236 0.953 1.00 0.00 O ATOM 963 CG2 THR A 64 1.947 -9.615 1.454 1.00 0.00 C ATOM 0 H THR A 64 4.303 -6.278 1.418 1.00 0.00 H new ATOM 0 HA THR A 64 2.556 -7.721 -0.446 1.00 0.00 H new ATOM 0 HB THR A 64 3.256 -8.266 2.467 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.497 -10.010 1.513 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.218 -10.469 2.075 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.050 -9.144 1.857 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.753 -9.953 0.436 1.00 0.00 H new ATOM 971 N VAL A 65 0.516 -6.474 0.241 1.00 0.00 N ATOM 972 CA VAL A 65 -0.741 -5.852 0.638 1.00 0.00 C ATOM 973 C VAL A 65 -1.816 -6.902 0.897 1.00 0.00 C ATOM 974 O VAL A 65 -1.957 -7.863 0.139 1.00 0.00 O ATOM 975 CB VAL A 65 -1.246 -4.870 -0.436 1.00 0.00 C ATOM 976 CG1 VAL A 65 -2.571 -4.253 -0.016 1.00 0.00 C ATOM 977 CG2 VAL A 65 -0.206 -3.791 -0.701 1.00 0.00 C ATOM 0 H VAL A 65 0.586 -6.685 -0.755 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.545 -5.302 1.558 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.408 -5.423 -1.361 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.911 -3.562 -0.787 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.313 -5.040 0.119 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.440 -3.713 0.922 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.579 -3.106 -1.462 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.011 -3.240 0.219 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.717 -4.253 -1.050 1.00 0.00 H new ATOM 987 N THR A 66 -2.575 -6.712 1.972 1.00 0.00 N ATOM 988 CA THR A 66 -3.638 -7.643 2.331 1.00 0.00 C ATOM 989 C THR A 66 -5.007 -6.982 2.220 1.00 0.00 C ATOM 990 O THR A 66 -5.156 -5.790 2.484 1.00 0.00 O ATOM 991 CB THR A 66 -3.454 -8.179 3.763 1.00 0.00 C ATOM 992 OG1 THR A 66 -2.068 -8.431 4.018 1.00 0.00 O ATOM 993 CG2 THR A 66 -4.253 -9.458 3.969 1.00 0.00 C ATOM 0 H THR A 66 -2.473 -5.922 2.609 1.00 0.00 H new ATOM 0 HA THR A 66 -3.581 -8.475 1.629 1.00 0.00 H new ATOM 0 HB THR A 66 -3.820 -7.424 4.459 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.960 -8.770 4.931 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.107 -9.818 4.988 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.311 -9.257 3.803 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.913 -10.217 3.264 1.00 0.00 H new ATOM 1001 N GLY A 67 -6.007 -7.766 1.827 1.00 0.00 N ATOM 1002 CA GLY A 67 -7.352 -7.240 1.689 1.00 0.00 C ATOM 1003 C GLY A 67 -8.071 -7.797 0.476 1.00 0.00 C ATOM 1004 O GLY A 67 -7.440 -8.324 -0.441 1.00 0.00 O ATOM 0 H GLY A 67 -5.909 -8.756 1.602 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.924 -7.475 2.586 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.308 -6.153 1.614 1.00 0.00 H new ATOM 1008 N LEU A 68 -9.394 -7.682 0.470 1.00 0.00 N ATOM 1009 CA LEU A 68 -10.200 -8.180 -0.639 1.00 0.00 C ATOM 1010 C LEU A 68 -9.497 -7.946 -1.972 1.00 0.00 C ATOM 1011 O LEU A 68 -8.701 -7.020 -2.127 1.00 0.00 O ATOM 1012 CB LEU A 68 -11.570 -7.499 -0.646 1.00 0.00 C ATOM 1013 CG LEU A 68 -12.563 -7.978 0.414 1.00 0.00 C ATOM 1014 CD1 LEU A 68 -12.745 -9.486 0.332 1.00 0.00 C ATOM 1015 CD2 LEU A 68 -12.098 -7.570 1.804 1.00 0.00 C ATOM 0 H LEU A 68 -9.932 -7.248 1.221 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.335 -9.253 -0.504 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -11.421 -6.427 -0.518 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -12.020 -7.643 -1.628 1.00 0.00 H new ATOM 0 HG LEU A 68 -13.526 -7.505 0.222 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -13.455 -9.809 1.094 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -13.124 -9.754 -0.654 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -11.786 -9.978 0.498 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.817 -7.919 2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -11.123 -8.014 2.006 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -12.020 -6.484 1.858 1.00 0.00 H new ATOM 1027 N PRO A 69 -9.798 -8.803 -2.959 1.00 0.00 N ATOM 1028 CA PRO A 69 -9.207 -8.708 -4.297 1.00 0.00 C ATOM 1029 C PRO A 69 -9.709 -7.492 -5.068 1.00 0.00 C ATOM 1030 O PRO A 69 -9.055 -7.022 -5.998 1.00 0.00 O ATOM 1031 CB PRO A 69 -9.664 -10.000 -4.979 1.00 0.00 C ATOM 1032 CG PRO A 69 -10.917 -10.381 -4.268 1.00 0.00 C ATOM 1033 CD PRO A 69 -10.738 -9.931 -2.844 1.00 0.00 C ATOM 0 HA PRO A 69 -8.124 -8.591 -4.257 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -9.844 -9.844 -6.043 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -8.908 -10.781 -4.895 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -11.785 -9.902 -4.722 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -11.083 -11.457 -4.319 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -11.684 -9.622 -2.398 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.335 -10.728 -2.218 1.00 0.00 H new ATOM 1041 N GLU A 70 -10.874 -6.988 -4.674 1.00 0.00 N ATOM 1042 CA GLU A 70 -11.464 -5.826 -5.329 1.00 0.00 C ATOM 1043 C GLU A 70 -10.970 -4.532 -4.689 1.00 0.00 C ATOM 1044 O GLU A 70 -10.933 -3.483 -5.332 1.00 0.00 O ATOM 1045 CB GLU A 70 -12.991 -5.892 -5.258 1.00 0.00 C ATOM 1046 CG GLU A 70 -13.536 -5.872 -3.840 1.00 0.00 C ATOM 1047 CD GLU A 70 -15.000 -6.262 -3.772 1.00 0.00 C ATOM 1048 OE1 GLU A 70 -15.809 -5.654 -4.504 1.00 0.00 O ATOM 1049 OE2 GLU A 70 -15.336 -7.173 -2.988 1.00 0.00 O ATOM 0 H GLU A 70 -11.428 -7.366 -3.905 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.156 -5.835 -6.374 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.409 -5.050 -5.811 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.331 -6.800 -5.756 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.953 -6.554 -3.221 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -13.410 -4.874 -3.420 1.00 0.00 H new ATOM 1056 N ASN A 71 -10.591 -4.614 -3.418 1.00 0.00 N ATOM 1057 CA ASN A 71 -10.100 -3.450 -2.689 1.00 0.00 C ATOM 1058 C ASN A 71 -8.597 -3.281 -2.883 1.00 0.00 C ATOM 1059 O ASN A 71 -8.089 -2.160 -2.937 1.00 0.00 O ATOM 1060 CB ASN A 71 -10.422 -3.582 -1.199 1.00 0.00 C ATOM 1061 CG ASN A 71 -11.912 -3.530 -0.923 1.00 0.00 C ATOM 1062 OD1 ASN A 71 -12.692 -3.053 -1.748 1.00 0.00 O ATOM 1063 ND2 ASN A 71 -12.315 -4.021 0.244 1.00 0.00 N ATOM 0 H ASN A 71 -10.614 -5.475 -2.871 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.601 -2.567 -3.085 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.019 -4.523 -0.825 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.925 -2.782 -0.650 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -13.306 -4.012 0.486 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.634 -4.407 0.898 1.00 0.00 H new ATOM 1070 N VAL A 72 -7.889 -4.401 -2.989 1.00 0.00 N ATOM 1071 CA VAL A 72 -6.444 -4.378 -3.179 1.00 0.00 C ATOM 1072 C VAL A 72 -6.077 -3.777 -4.531 1.00 0.00 C ATOM 1073 O VAL A 72 -5.231 -2.887 -4.616 1.00 0.00 O ATOM 1074 CB VAL A 72 -5.842 -5.792 -3.077 1.00 0.00 C ATOM 1075 CG1 VAL A 72 -4.418 -5.805 -3.612 1.00 0.00 C ATOM 1076 CG2 VAL A 72 -5.885 -6.287 -1.640 1.00 0.00 C ATOM 0 H VAL A 72 -8.293 -5.336 -2.946 1.00 0.00 H new ATOM 0 HA VAL A 72 -6.030 -3.757 -2.385 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.441 -6.468 -3.687 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.008 -6.812 -3.532 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.419 -5.496 -4.657 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.805 -5.117 -3.031 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -5.456 -7.287 -1.587 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.311 -5.612 -1.005 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.919 -6.317 -1.296 1.00 0.00 H new ATOM 1086 N GLU A 73 -6.720 -4.269 -5.585 1.00 0.00 N ATOM 1087 CA GLU A 73 -6.461 -3.779 -6.934 1.00 0.00 C ATOM 1088 C GLU A 73 -6.531 -2.256 -6.983 1.00 0.00 C ATOM 1089 O GLU A 73 -5.737 -1.610 -7.665 1.00 0.00 O ATOM 1090 CB GLU A 73 -7.465 -4.380 -7.920 1.00 0.00 C ATOM 1091 CG GLU A 73 -8.907 -4.006 -7.623 1.00 0.00 C ATOM 1092 CD GLU A 73 -9.895 -4.752 -8.500 1.00 0.00 C ATOM 1093 OE1 GLU A 73 -9.711 -5.971 -8.698 1.00 0.00 O ATOM 1094 OE2 GLU A 73 -10.853 -4.115 -8.987 1.00 0.00 O ATOM 0 H GLU A 73 -7.423 -5.006 -5.531 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.455 -4.087 -7.218 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.213 -4.051 -8.928 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.370 -5.466 -7.906 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.125 -4.217 -6.576 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.037 -2.933 -7.766 1.00 0.00 H new ATOM 1101 N GLU A 74 -7.489 -1.690 -6.256 1.00 0.00 N ATOM 1102 CA GLU A 74 -7.665 -0.243 -6.218 1.00 0.00 C ATOM 1103 C GLU A 74 -6.540 0.421 -5.428 1.00 0.00 C ATOM 1104 O GLU A 74 -6.056 1.491 -5.797 1.00 0.00 O ATOM 1105 CB GLU A 74 -9.017 0.113 -5.597 1.00 0.00 C ATOM 1106 CG GLU A 74 -10.206 -0.342 -6.427 1.00 0.00 C ATOM 1107 CD GLU A 74 -11.520 0.220 -5.920 1.00 0.00 C ATOM 1108 OE1 GLU A 74 -11.656 0.394 -4.691 1.00 0.00 O ATOM 1109 OE2 GLU A 74 -12.413 0.485 -6.752 1.00 0.00 O ATOM 0 H GLU A 74 -8.155 -2.211 -5.686 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.635 0.128 -7.243 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -9.082 -0.337 -4.606 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -9.072 1.193 -5.461 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.060 -0.036 -7.463 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.254 -1.431 -6.420 1.00 0.00 H new ATOM 1116 N ALA A 75 -6.130 -0.222 -4.340 1.00 0.00 N ATOM 1117 CA ALA A 75 -5.062 0.305 -3.499 1.00 0.00 C ATOM 1118 C ALA A 75 -3.747 0.383 -4.266 1.00 0.00 C ATOM 1119 O ALA A 75 -3.055 1.401 -4.229 1.00 0.00 O ATOM 1120 CB ALA A 75 -4.899 -0.554 -2.253 1.00 0.00 C ATOM 0 H ALA A 75 -6.521 -1.108 -4.020 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.336 1.316 -3.197 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.098 -0.149 -1.634 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.830 -0.554 -1.687 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.651 -1.575 -2.545 1.00 0.00 H new ATOM 1126 N ILE A 76 -3.407 -0.699 -4.959 1.00 0.00 N ATOM 1127 CA ILE A 76 -2.174 -0.752 -5.735 1.00 0.00 C ATOM 1128 C ILE A 76 -2.039 0.471 -6.636 1.00 0.00 C ATOM 1129 O ILE A 76 -1.041 1.190 -6.578 1.00 0.00 O ATOM 1130 CB ILE A 76 -2.109 -2.023 -6.602 1.00 0.00 C ATOM 1131 CG1 ILE A 76 -2.085 -3.270 -5.715 1.00 0.00 C ATOM 1132 CG2 ILE A 76 -0.885 -1.986 -7.505 1.00 0.00 C ATOM 1133 CD1 ILE A 76 -2.371 -4.551 -6.466 1.00 0.00 C ATOM 0 H ILE A 76 -3.968 -1.550 -4.999 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.351 -0.767 -5.020 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.999 -2.063 -7.230 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.108 -3.348 -5.238 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.820 -3.154 -4.918 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.853 -2.891 -8.112 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.940 -1.114 -8.157 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.016 -1.926 -6.894 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.338 -5.393 -5.775 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.360 -4.493 -6.920 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.622 -4.691 -7.245 1.00 0.00 H new ATOM 1145 N ASP A 77 -3.050 0.702 -7.467 1.00 0.00 N ATOM 1146 CA ASP A 77 -3.045 1.840 -8.379 1.00 0.00 C ATOM 1147 C ASP A 77 -2.679 3.125 -7.643 1.00 0.00 C ATOM 1148 O ASP A 77 -1.961 3.973 -8.173 1.00 0.00 O ATOM 1149 CB ASP A 77 -4.414 1.991 -9.046 1.00 0.00 C ATOM 1150 CG ASP A 77 -4.375 2.923 -10.241 1.00 0.00 C ATOM 1151 OD1 ASP A 77 -3.765 2.550 -11.265 1.00 0.00 O ATOM 1152 OD2 ASP A 77 -4.956 4.025 -10.153 1.00 0.00 O ATOM 0 H ASP A 77 -3.883 0.116 -7.528 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.293 1.656 -9.147 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.770 1.011 -9.364 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.131 2.369 -8.317 1.00 0.00 H new ATOM 1157 N HIS A 78 -3.179 3.262 -6.419 1.00 0.00 N ATOM 1158 CA HIS A 78 -2.904 4.444 -5.610 1.00 0.00 C ATOM 1159 C HIS A 78 -1.445 4.471 -5.164 1.00 0.00 C ATOM 1160 O HIS A 78 -0.834 5.536 -5.071 1.00 0.00 O ATOM 1161 CB HIS A 78 -3.824 4.477 -4.388 1.00 0.00 C ATOM 1162 CG HIS A 78 -3.504 5.580 -3.427 1.00 0.00 C ATOM 1163 ND1 HIS A 78 -4.413 6.552 -3.067 1.00 0.00 N ATOM 1164 CD2 HIS A 78 -2.367 5.861 -2.748 1.00 0.00 C ATOM 1165 CE1 HIS A 78 -3.849 7.384 -2.210 1.00 0.00 C ATOM 1166 NE2 HIS A 78 -2.607 6.987 -2.000 1.00 0.00 N ATOM 0 H HIS A 78 -3.776 2.570 -5.966 1.00 0.00 H new ATOM 0 HA HIS A 78 -3.094 5.325 -6.223 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -4.856 4.586 -4.723 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -3.757 3.522 -3.867 1.00 0.00 H new ATOM 0 HD1 HIS A 78 -5.372 6.618 -3.409 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -1.443 5.303 -2.787 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -4.323 8.243 -1.758 1.00 0.00 H new ATOM 1174 N ILE A 79 -0.895 3.293 -4.888 1.00 0.00 N ATOM 1175 CA ILE A 79 0.492 3.183 -4.453 1.00 0.00 C ATOM 1176 C ILE A 79 1.451 3.613 -5.557 1.00 0.00 C ATOM 1177 O ILE A 79 2.322 4.458 -5.344 1.00 0.00 O ATOM 1178 CB ILE A 79 0.834 1.744 -4.023 1.00 0.00 C ATOM 1179 CG1 ILE A 79 -0.088 1.294 -2.888 1.00 0.00 C ATOM 1180 CG2 ILE A 79 2.291 1.650 -3.597 1.00 0.00 C ATOM 1181 CD1 ILE A 79 0.076 -0.163 -2.516 1.00 0.00 C ATOM 0 H ILE A 79 -1.388 2.403 -4.958 1.00 0.00 H new ATOM 0 HA ILE A 79 0.607 3.847 -3.597 1.00 0.00 H new ATOM 0 HB ILE A 79 0.681 1.081 -4.875 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.105 1.909 -2.009 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.123 1.472 -3.180 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.517 0.627 -3.296 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.933 1.933 -4.431 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.469 2.323 -2.758 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.609 -0.411 -1.705 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.146 -0.787 -3.382 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.101 -0.343 -2.193 1.00 0.00 H new ATOM 1193 N LEU A 80 1.286 3.028 -6.738 1.00 0.00 N ATOM 1194 CA LEU A 80 2.136 3.352 -7.878 1.00 0.00 C ATOM 1195 C LEU A 80 1.997 4.822 -8.261 1.00 0.00 C ATOM 1196 O LEU A 80 2.941 5.437 -8.754 1.00 0.00 O ATOM 1197 CB LEU A 80 1.780 2.466 -9.073 1.00 0.00 C ATOM 1198 CG LEU A 80 2.425 1.080 -9.097 1.00 0.00 C ATOM 1199 CD1 LEU A 80 1.806 0.222 -10.190 1.00 0.00 C ATOM 1200 CD2 LEU A 80 3.929 1.195 -9.294 1.00 0.00 C ATOM 0 H LEU A 80 0.571 2.327 -6.931 1.00 0.00 H new ATOM 0 HA LEU A 80 3.171 3.167 -7.592 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.697 2.341 -9.098 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.061 2.991 -9.986 1.00 0.00 H new ATOM 0 HG LEU A 80 2.241 0.598 -8.137 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.278 -0.761 -10.192 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.738 0.111 -10.005 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.959 0.700 -11.158 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.371 0.199 -9.309 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.135 1.697 -10.239 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.360 1.771 -8.476 1.00 0.00 H new ATOM 1212 N ASN A 81 0.813 5.379 -8.028 1.00 0.00 N ATOM 1213 CA ASN A 81 0.550 6.778 -8.347 1.00 0.00 C ATOM 1214 C ASN A 81 1.501 7.697 -7.586 1.00 0.00 C ATOM 1215 O ASN A 81 2.069 8.630 -8.156 1.00 0.00 O ATOM 1216 CB ASN A 81 -0.899 7.135 -8.013 1.00 0.00 C ATOM 1217 CG ASN A 81 -1.090 8.622 -7.782 1.00 0.00 C ATOM 1218 OD1 ASN A 81 -0.341 9.444 -8.311 1.00 0.00 O ATOM 1219 ND2 ASN A 81 -2.095 8.974 -6.989 1.00 0.00 N ATOM 0 H ASN A 81 0.021 4.883 -7.620 1.00 0.00 H new ATOM 0 HA ASN A 81 0.714 6.919 -9.415 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -1.547 6.810 -8.827 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -1.209 6.589 -7.122 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.272 9.960 -6.797 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.690 8.258 -6.572 1.00 0.00 H new ATOM 1226 N LEU A 82 1.670 7.427 -6.297 1.00 0.00 N ATOM 1227 CA LEU A 82 2.553 8.229 -5.456 1.00 0.00 C ATOM 1228 C LEU A 82 4.013 7.850 -5.684 1.00 0.00 C ATOM 1229 O LEU A 82 4.908 8.683 -5.547 1.00 0.00 O ATOM 1230 CB LEU A 82 2.190 8.046 -3.982 1.00 0.00 C ATOM 1231 CG LEU A 82 0.737 8.338 -3.607 1.00 0.00 C ATOM 1232 CD1 LEU A 82 0.450 7.879 -2.185 1.00 0.00 C ATOM 1233 CD2 LEU A 82 0.433 9.821 -3.762 1.00 0.00 C ATOM 0 H LEU A 82 1.208 6.659 -5.811 1.00 0.00 H new ATOM 0 HA LEU A 82 2.422 9.276 -5.728 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.418 7.019 -3.697 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.835 8.693 -3.387 1.00 0.00 H new ATOM 0 HG LEU A 82 0.089 7.782 -4.284 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.589 8.095 -1.936 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.627 6.806 -2.106 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.106 8.406 -1.493 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.606 10.010 -3.491 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.089 10.397 -3.109 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.598 10.120 -4.797 1.00 0.00 H new ATOM 1245 N GLU A 83 4.244 6.589 -6.033 1.00 0.00 N ATOM 1246 CA GLU A 83 5.596 6.101 -6.281 1.00 0.00 C ATOM 1247 C GLU A 83 6.329 7.007 -7.267 1.00 0.00 C ATOM 1248 O GLU A 83 7.494 7.349 -7.063 1.00 0.00 O ATOM 1249 CB GLU A 83 5.555 4.670 -6.820 1.00 0.00 C ATOM 1250 CG GLU A 83 6.901 4.167 -7.315 1.00 0.00 C ATOM 1251 CD GLU A 83 6.770 3.007 -8.283 1.00 0.00 C ATOM 1252 OE1 GLU A 83 6.649 1.855 -7.816 1.00 0.00 O ATOM 1253 OE2 GLU A 83 6.789 3.252 -9.507 1.00 0.00 O ATOM 0 H GLU A 83 3.514 5.887 -6.150 1.00 0.00 H new ATOM 0 HA GLU A 83 6.137 6.109 -5.335 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.195 4.005 -6.035 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.835 4.619 -7.637 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.433 4.984 -7.803 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.505 3.857 -6.462 1.00 0.00 H new ATOM 1260 N GLU A 84 5.638 7.391 -8.335 1.00 0.00 N ATOM 1261 CA GLU A 84 6.224 8.255 -9.353 1.00 0.00 C ATOM 1262 C GLU A 84 6.341 9.690 -8.846 1.00 0.00 C ATOM 1263 O GLU A 84 7.399 10.311 -8.951 1.00 0.00 O ATOM 1264 CB GLU A 84 5.381 8.221 -10.630 1.00 0.00 C ATOM 1265 CG GLU A 84 5.672 7.024 -11.519 1.00 0.00 C ATOM 1266 CD GLU A 84 7.068 7.061 -12.109 1.00 0.00 C ATOM 1267 OE1 GLU A 84 7.411 8.069 -12.762 1.00 0.00 O ATOM 1268 OE2 GLU A 84 7.819 6.082 -11.917 1.00 0.00 O ATOM 0 H GLU A 84 4.672 7.118 -8.518 1.00 0.00 H new ATOM 0 HA GLU A 84 7.224 7.884 -9.577 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.325 8.213 -10.358 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.558 9.135 -11.197 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.550 6.108 -10.940 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.941 6.990 -12.327 1.00 0.00 H new ATOM 1275 N GLU A 85 5.247 10.209 -8.298 1.00 0.00 N ATOM 1276 CA GLU A 85 5.228 11.571 -7.776 1.00 0.00 C ATOM 1277 C GLU A 85 6.400 11.807 -6.828 1.00 0.00 C ATOM 1278 O GLU A 85 7.010 12.877 -6.832 1.00 0.00 O ATOM 1279 CB GLU A 85 3.908 11.844 -7.052 1.00 0.00 C ATOM 1280 CG GLU A 85 3.817 13.240 -6.458 1.00 0.00 C ATOM 1281 CD GLU A 85 3.423 14.285 -7.482 1.00 0.00 C ATOM 1282 OE1 GLU A 85 3.726 14.088 -8.678 1.00 0.00 O ATOM 1283 OE2 GLU A 85 2.811 15.300 -7.089 1.00 0.00 O ATOM 0 H GLU A 85 4.363 9.708 -8.204 1.00 0.00 H new ATOM 0 HA GLU A 85 5.321 12.257 -8.618 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.084 11.701 -7.751 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.782 11.110 -6.256 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.089 13.239 -5.647 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.779 13.509 -6.022 1.00 0.00 H new ATOM 1290 N TYR A 86 6.708 10.802 -6.016 1.00 0.00 N ATOM 1291 CA TYR A 86 7.804 10.901 -5.060 1.00 0.00 C ATOM 1292 C TYR A 86 9.153 10.803 -5.766 1.00 0.00 C ATOM 1293 O TYR A 86 10.049 11.616 -5.534 1.00 0.00 O ATOM 1294 CB TYR A 86 7.688 9.800 -4.004 1.00 0.00 C ATOM 1295 CG TYR A 86 6.588 10.043 -2.996 1.00 0.00 C ATOM 1296 CD1 TYR A 86 6.450 11.276 -2.371 1.00 0.00 C ATOM 1297 CD2 TYR A 86 5.686 9.038 -2.668 1.00 0.00 C ATOM 1298 CE1 TYR A 86 5.446 11.501 -1.449 1.00 0.00 C ATOM 1299 CE2 TYR A 86 4.678 9.255 -1.748 1.00 0.00 C ATOM 1300 CZ TYR A 86 4.563 10.488 -1.141 1.00 0.00 C ATOM 1301 OH TYR A 86 3.562 10.709 -0.223 1.00 0.00 O ATOM 0 H TYR A 86 6.214 9.910 -6.001 1.00 0.00 H new ATOM 0 HA TYR A 86 7.740 11.873 -4.571 1.00 0.00 H new ATOM 0 HB2 TYR A 86 7.509 8.847 -4.502 1.00 0.00 H new ATOM 0 HB3 TYR A 86 8.638 9.711 -3.478 1.00 0.00 H new ATOM 0 HD1 TYR A 86 7.139 12.072 -2.610 1.00 0.00 H new ATOM 0 HD2 TYR A 86 5.774 8.071 -3.140 1.00 0.00 H new ATOM 0 HE1 TYR A 86 5.353 12.465 -0.972 1.00 0.00 H new ATOM 0 HE2 TYR A 86 3.984 8.464 -1.506 1.00 0.00 H new ATOM 0 HH TYR A 86 3.027 9.895 -0.121 1.00 0.00 H new ATOM 1311 N LEU A 87 9.291 9.803 -6.630 1.00 0.00 N ATOM 1312 CA LEU A 87 10.530 9.598 -7.372 1.00 0.00 C ATOM 1313 C LEU A 87 10.985 10.892 -8.039 1.00 0.00 C ATOM 1314 O LEU A 87 12.179 11.183 -8.101 1.00 0.00 O ATOM 1315 CB LEU A 87 10.341 8.506 -8.426 1.00 0.00 C ATOM 1316 CG LEU A 87 10.636 7.076 -7.972 1.00 0.00 C ATOM 1317 CD1 LEU A 87 10.125 6.074 -8.996 1.00 0.00 C ATOM 1318 CD2 LEU A 87 12.127 6.888 -7.737 1.00 0.00 C ATOM 0 H LEU A 87 8.560 9.121 -6.834 1.00 0.00 H new ATOM 0 HA LEU A 87 11.300 9.284 -6.667 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.312 8.548 -8.783 1.00 0.00 H new ATOM 0 HB3 LEU A 87 10.983 8.735 -9.277 1.00 0.00 H new ATOM 0 HG LEU A 87 10.115 6.900 -7.031 1.00 0.00 H new ATOM 0 HD11 LEU A 87 10.344 5.062 -8.656 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.048 6.192 -9.114 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.616 6.249 -9.953 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.318 5.865 -7.414 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.669 7.084 -8.662 1.00 0.00 H new ATOM 0 HD23 LEU A 87 12.464 7.580 -6.966 1.00 0.00 H new ATOM 1330 N ALA A 88 10.025 11.665 -8.536 1.00 0.00 N ATOM 1331 CA ALA A 88 10.328 12.930 -9.195 1.00 0.00 C ATOM 1332 C ALA A 88 11.266 13.780 -8.346 1.00 0.00 C ATOM 1333 O ALA A 88 12.034 14.587 -8.871 1.00 0.00 O ATOM 1334 CB ALA A 88 9.044 13.691 -9.490 1.00 0.00 C ATOM 0 H ALA A 88 9.031 11.438 -8.495 1.00 0.00 H new ATOM 0 HA ALA A 88 10.832 12.710 -10.136 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.284 14.633 -9.982 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.408 13.093 -10.143 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.518 13.893 -8.557 1.00 0.00 H new