USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 798 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 65 TYR OH : rot 66:sc= 0.0746 USER MOD Set 1.2: A 102 GLN : amide:sc= -0.0707 K(o=-4,f=-4.7) USER MOD Set 1.3: B 13 ASN : amide:sc= -4.03! C(o=-4!,f=-12!) USER MOD Set 2.1: A 70 ASN : amide:sc= 0.164 X(o=0.16,f=-0.18) USER MOD Set 2.2: A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 76 SER OG : rot -93:sc= 0.238 USER MOD Set 3.2: A 80 CYS SG : rot 140:sc= -1.55 USER MOD Set 3.3: A 82 THR OG1 : rot -130:sc= -0.11 USER MOD Set 4.1: A 17 HIS : no HD1:sc= -8.94! C(o=-9.1!,f=-10!) USER MOD Set 4.2: A 19 THR OG1 : rot -2:sc= -0.13 USER MOD Set 4.3: A 20 LYS NZ :NH3+ 177:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.039 K(o=-0.039,f=-1.4) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN :FLIP amide:sc= -0.34 F(o=-3.2!,f=-0.34) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -163:sc= -0.649 (180deg=-1.17) USER MOD Single : A 41 THR OG1 : rot -8:sc= 1.01 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.422 K(o=-0.42,f=-1.1) USER MOD Single : A 59 TYR OH : rot 159:sc= 0.0845 USER MOD Single : A 61 CYS SG : rot 180:sc= -1.24 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 22:sc= 0.374 USER MOD Single : A 81 GLN : amide:sc= -4.37! C(o=-4.4!,f=-12!) USER MOD Single : A 84 GLN : amide:sc= -0.185 K(o=-0.19,f=-2.3!) USER MOD Single : A 91 CYS SG : rot 180:sc= -0.924 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.258 K(o=-0.26,f=-2.6!) USER MOD Single : A 105 MET CE :methyl -157:sc= -0.0129 (180deg=-0.332) USER MOD Single : B 6 HIS : no HD1:sc= -0.217 X(o=-0.22,f=-0.0063) USER MOD Single : B 9 CYS SG : rot 100:sc= -0.749 USER MOD Single : B 11 ASN :FLIP amide:sc= 0.111 F(o=-2.1,f=0.11) USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 162 N PRO A 14 17.280 12.410 -7.084 1.00 0.00 N ATOM 163 CA PRO A 14 16.391 12.336 -8.247 1.00 0.00 C ATOM 164 C PRO A 14 14.988 11.867 -7.876 1.00 0.00 C ATOM 165 O PRO A 14 14.794 11.207 -6.855 1.00 0.00 O ATOM 166 CB PRO A 14 17.076 11.310 -9.153 1.00 0.00 C ATOM 167 CG PRO A 14 17.877 10.462 -8.227 1.00 0.00 C ATOM 168 CD PRO A 14 18.323 11.371 -7.115 1.00 0.00 C ATOM 0 HA PRO A 14 16.250 13.311 -8.714 1.00 0.00 H new ATOM 0 HB2 PRO A 14 16.345 10.716 -9.702 1.00 0.00 H new ATOM 0 HB3 PRO A 14 17.711 11.797 -9.893 1.00 0.00 H new ATOM 0 HG2 PRO A 14 17.281 9.636 -7.840 1.00 0.00 H new ATOM 0 HG3 PRO A 14 18.733 10.024 -8.741 1.00 0.00 H new ATOM 0 HD2 PRO A 14 18.390 10.841 -6.165 1.00 0.00 H new ATOM 0 HD3 PRO A 14 19.307 11.795 -7.313 1.00 0.00 H new ATOM 176 N ASP A 15 14.014 12.211 -8.711 1.00 0.00 N ATOM 177 CA ASP A 15 12.629 11.823 -8.471 1.00 0.00 C ATOM 178 C ASP A 15 12.437 10.326 -8.694 1.00 0.00 C ATOM 179 O ASP A 15 11.338 9.800 -8.528 1.00 0.00 O ATOM 180 CB ASP A 15 11.691 12.612 -9.386 1.00 0.00 C ATOM 181 CG ASP A 15 12.102 12.534 -10.843 1.00 0.00 C ATOM 182 OD1 ASP A 15 12.131 11.413 -11.392 1.00 0.00 O ATOM 183 OD2 ASP A 15 12.393 13.595 -11.434 1.00 0.00 O ATOM 0 H ASP A 15 14.158 12.758 -9.560 1.00 0.00 H new ATOM 0 HA ASP A 15 12.388 12.051 -7.433 1.00 0.00 H new ATOM 0 HB2 ASP A 15 10.676 12.230 -9.277 1.00 0.00 H new ATOM 0 HB3 ASP A 15 11.674 13.656 -9.072 1.00 0.00 H new ATOM 188 N ASN A 16 13.515 9.647 -9.072 1.00 0.00 N ATOM 189 CA ASN A 16 13.465 8.210 -9.320 1.00 0.00 C ATOM 190 C ASN A 16 14.635 7.501 -8.645 1.00 0.00 C ATOM 191 O ASN A 16 15.209 6.563 -9.199 1.00 0.00 O ATOM 192 CB ASN A 16 13.483 7.930 -10.824 1.00 0.00 C ATOM 193 CG ASN A 16 14.503 8.779 -11.558 1.00 0.00 C ATOM 194 OD1 ASN A 16 15.683 8.793 -11.206 1.00 0.00 O ATOM 195 ND2 ASN A 16 14.052 9.491 -12.584 1.00 0.00 N ATOM 0 H ASN A 16 14.433 10.068 -9.213 1.00 0.00 H new ATOM 0 HA ASN A 16 12.537 7.825 -8.897 1.00 0.00 H new ATOM 0 HB2 ASN A 16 13.703 6.876 -10.992 1.00 0.00 H new ATOM 0 HB3 ASN A 16 12.492 8.118 -11.238 1.00 0.00 H new ATOM 0 HD21 ASN A 16 14.692 10.080 -13.116 1.00 0.00 H new ATOM 0 HD22 ASN A 16 13.066 9.448 -12.840 1.00 0.00 H new ATOM 202 N HIS A 17 14.983 7.955 -7.445 1.00 0.00 N ATOM 203 CA HIS A 17 16.084 7.363 -6.693 1.00 0.00 C ATOM 204 C HIS A 17 15.707 5.977 -6.180 1.00 0.00 C ATOM 205 O HIS A 17 14.570 5.723 -5.781 1.00 0.00 O ATOM 206 CB HIS A 17 16.473 8.265 -5.522 1.00 0.00 C ATOM 207 CG HIS A 17 17.936 8.235 -5.203 1.00 0.00 C ATOM 208 ND1 HIS A 17 18.426 7.942 -3.948 1.00 0.00 N ATOM 209 CD2 HIS A 17 19.017 8.462 -5.984 1.00 0.00 C ATOM 210 CE1 HIS A 17 19.746 7.991 -3.971 1.00 0.00 C ATOM 211 NE2 HIS A 17 20.130 8.304 -5.195 1.00 0.00 N ATOM 0 H HIS A 17 14.519 8.731 -6.973 1.00 0.00 H new ATOM 0 HA HIS A 17 16.938 7.263 -7.363 1.00 0.00 H new ATOM 0 HB2 HIS A 17 16.180 9.290 -5.751 1.00 0.00 H new ATOM 0 HB3 HIS A 17 15.911 7.962 -4.639 1.00 0.00 H new ATOM 0 HD2 HIS A 17 19.007 8.720 -7.033 1.00 0.00 H new ATOM 0 HE1 HIS A 17 20.400 7.806 -3.131 1.00 0.00 H new ATOM 0 HE2 HIS A 17 21.096 8.411 -5.504 1.00 0.00 H new ATOM 220 N PRO A 18 16.683 5.056 -6.189 1.00 0.00 N ATOM 221 CA PRO A 18 16.477 3.680 -5.727 1.00 0.00 C ATOM 222 C PRO A 18 16.281 3.599 -4.217 1.00 0.00 C ATOM 223 O PRO A 18 15.380 2.911 -3.734 1.00 0.00 O ATOM 224 CB PRO A 18 17.771 2.972 -6.137 1.00 0.00 C ATOM 225 CG PRO A 18 18.793 4.054 -6.198 1.00 0.00 C ATOM 226 CD PRO A 18 18.062 5.288 -6.650 1.00 0.00 C ATOM 0 HA PRO A 18 15.578 3.236 -6.154 1.00 0.00 H new ATOM 0 HB2 PRO A 18 18.049 2.205 -5.414 1.00 0.00 H new ATOM 0 HB3 PRO A 18 17.662 2.476 -7.101 1.00 0.00 H new ATOM 0 HG2 PRO A 18 19.256 4.209 -5.223 1.00 0.00 H new ATOM 0 HG3 PRO A 18 19.592 3.797 -6.893 1.00 0.00 H new ATOM 0 HD2 PRO A 18 18.486 6.190 -6.210 1.00 0.00 H new ATOM 0 HD3 PRO A 18 18.109 5.409 -7.732 1.00 0.00 H new ATOM 234 N THR A 19 17.128 4.305 -3.475 1.00 0.00 N ATOM 235 CA THR A 19 17.048 4.312 -2.020 1.00 0.00 C ATOM 236 C THR A 19 16.060 5.363 -1.529 1.00 0.00 C ATOM 237 O THR A 19 15.474 5.227 -0.455 1.00 0.00 O ATOM 238 CB THR A 19 18.424 4.579 -1.383 1.00 0.00 C ATOM 239 OG1 THR A 19 18.972 5.799 -1.895 1.00 0.00 O ATOM 240 CG2 THR A 19 19.382 3.431 -1.661 1.00 0.00 C ATOM 0 H THR A 19 17.878 4.880 -3.858 1.00 0.00 H new ATOM 0 HA THR A 19 16.702 3.323 -1.718 1.00 0.00 H new ATOM 0 HB THR A 19 18.290 4.665 -0.305 1.00 0.00 H new ATOM 0 HG1 THR A 19 18.360 6.179 -2.560 1.00 0.00 H new ATOM 0 HG21 THR A 19 20.347 3.643 -1.201 1.00 0.00 H new ATOM 0 HG22 THR A 19 18.976 2.509 -1.244 1.00 0.00 H new ATOM 0 HG23 THR A 19 19.510 3.317 -2.737 1.00 0.00 H new ATOM 248 N LYS A 20 15.877 6.413 -2.323 1.00 0.00 N ATOM 249 CA LYS A 20 14.958 7.489 -1.970 1.00 0.00 C ATOM 250 C LYS A 20 13.723 7.464 -2.865 1.00 0.00 C ATOM 251 O LYS A 20 13.818 7.200 -4.064 1.00 0.00 O ATOM 252 CB LYS A 20 15.658 8.845 -2.087 1.00 0.00 C ATOM 253 CG LYS A 20 16.355 9.282 -0.810 1.00 0.00 C ATOM 254 CD LYS A 20 17.776 8.749 -0.740 1.00 0.00 C ATOM 255 CE LYS A 20 18.766 9.717 -1.370 1.00 0.00 C ATOM 256 NZ LYS A 20 20.170 9.404 -0.983 1.00 0.00 N ATOM 0 H LYS A 20 16.353 6.542 -3.216 1.00 0.00 H new ATOM 0 HA LYS A 20 14.641 7.339 -0.938 1.00 0.00 H new ATOM 0 HB2 LYS A 20 16.390 8.798 -2.893 1.00 0.00 H new ATOM 0 HB3 LYS A 20 14.924 9.600 -2.367 1.00 0.00 H new ATOM 0 HG2 LYS A 20 16.371 10.371 -0.757 1.00 0.00 H new ATOM 0 HG3 LYS A 20 15.790 8.929 0.053 1.00 0.00 H new ATOM 0 HD2 LYS A 20 18.049 8.574 0.301 1.00 0.00 H new ATOM 0 HD3 LYS A 20 17.831 7.787 -1.250 1.00 0.00 H new ATOM 0 HE2 LYS A 20 18.671 9.679 -2.455 1.00 0.00 H new ATOM 0 HE3 LYS A 20 18.523 10.735 -1.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 20.818 10.054 -1.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 20.280 9.515 0.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 20.394 8.425 -1.251 1.00 0.00 H new ATOM 270 N PHE A 21 12.565 7.741 -2.275 1.00 0.00 N ATOM 271 CA PHE A 21 11.311 7.750 -3.019 1.00 0.00 C ATOM 272 C PHE A 21 10.426 8.914 -2.579 1.00 0.00 C ATOM 273 O PHE A 21 9.842 8.890 -1.495 1.00 0.00 O ATOM 274 CB PHE A 21 10.567 6.427 -2.824 1.00 0.00 C ATOM 275 CG PHE A 21 11.312 5.237 -3.356 1.00 0.00 C ATOM 276 CD1 PHE A 21 12.221 4.559 -2.560 1.00 0.00 C ATOM 277 CD2 PHE A 21 11.104 4.797 -4.654 1.00 0.00 C ATOM 278 CE1 PHE A 21 12.908 3.462 -3.047 1.00 0.00 C ATOM 279 CE2 PHE A 21 11.788 3.701 -5.146 1.00 0.00 C ATOM 280 CZ PHE A 21 12.691 3.034 -4.342 1.00 0.00 C ATOM 0 H PHE A 21 12.469 7.962 -1.284 1.00 0.00 H new ATOM 0 HA PHE A 21 11.546 7.874 -4.076 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.375 6.280 -1.761 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.597 6.489 -3.317 1.00 0.00 H new ATOM 0 HD1 PHE A 21 12.395 4.891 -1.547 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.400 5.316 -5.288 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.613 2.941 -2.416 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.616 3.367 -6.158 1.00 0.00 H new ATOM 0 HZ PHE A 21 13.227 2.178 -4.726 1.00 0.00 H new ATOM 290 N LYS A 22 10.333 9.932 -3.428 1.00 0.00 N ATOM 291 CA LYS A 22 9.520 11.105 -3.130 1.00 0.00 C ATOM 292 C LYS A 22 8.035 10.756 -3.145 1.00 0.00 C ATOM 293 O LYS A 22 7.461 10.486 -4.200 1.00 0.00 O ATOM 294 CB LYS A 22 9.804 12.218 -4.141 1.00 0.00 C ATOM 295 CG LYS A 22 10.932 13.145 -3.724 1.00 0.00 C ATOM 296 CD LYS A 22 11.705 13.659 -4.927 1.00 0.00 C ATOM 297 CE LYS A 22 13.101 14.120 -4.537 1.00 0.00 C ATOM 298 NZ LYS A 22 13.062 15.314 -3.648 1.00 0.00 N ATOM 0 H LYS A 22 10.811 9.968 -4.328 1.00 0.00 H new ATOM 0 HA LYS A 22 9.783 11.454 -2.131 1.00 0.00 H new ATOM 0 HB2 LYS A 22 10.051 11.769 -5.103 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.897 12.805 -4.286 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.524 13.987 -3.165 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.610 12.616 -3.054 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.777 12.872 -5.678 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.162 14.486 -5.384 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.624 13.308 -4.032 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.670 14.355 -5.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.033 15.597 -3.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.586 16.097 -4.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.541 15.083 -2.778 1.00 0.00 H new ATOM 312 N VAL A 23 7.418 10.765 -1.967 1.00 0.00 N ATOM 313 CA VAL A 23 5.999 10.452 -1.846 1.00 0.00 C ATOM 314 C VAL A 23 5.203 11.673 -1.397 1.00 0.00 C ATOM 315 O VAL A 23 5.771 12.663 -0.934 1.00 0.00 O ATOM 316 CB VAL A 23 5.761 9.303 -0.849 1.00 0.00 C ATOM 317 CG1 VAL A 23 6.452 8.034 -1.322 1.00 0.00 C ATOM 318 CG2 VAL A 23 6.241 9.696 0.540 1.00 0.00 C ATOM 0 H VAL A 23 7.878 10.985 -1.084 1.00 0.00 H new ATOM 0 HA VAL A 23 5.658 10.143 -2.834 1.00 0.00 H new ATOM 0 HB VAL A 23 4.690 9.106 -0.796 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.273 7.233 -0.605 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.056 7.745 -2.295 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.524 8.213 -1.405 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.065 8.873 1.232 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.307 9.921 0.507 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.695 10.577 0.878 1.00 0.00 H new ATOM 328 N THR A 24 3.883 11.597 -1.537 1.00 0.00 N ATOM 329 CA THR A 24 3.009 12.695 -1.146 1.00 0.00 C ATOM 330 C THR A 24 1.817 12.190 -0.342 1.00 0.00 C ATOM 331 O THR A 24 0.868 11.639 -0.899 1.00 0.00 O ATOM 332 CB THR A 24 2.494 13.468 -2.376 1.00 0.00 C ATOM 333 OG1 THR A 24 3.575 14.166 -3.004 1.00 0.00 O ATOM 334 CG2 THR A 24 1.408 14.456 -1.978 1.00 0.00 C ATOM 0 H THR A 24 3.396 10.786 -1.918 1.00 0.00 H new ATOM 0 HA THR A 24 3.603 13.366 -0.526 1.00 0.00 H new ATOM 0 HB THR A 24 2.070 12.750 -3.078 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.240 14.653 -3.785 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.060 14.990 -2.862 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.574 13.918 -1.527 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.811 15.169 -1.259 1.00 0.00 H new ATOM 342 N ASN A 25 1.872 12.382 0.972 1.00 0.00 N ATOM 343 CA ASN A 25 0.795 11.945 1.854 1.00 0.00 C ATOM 344 C ASN A 25 -0.547 12.503 1.391 1.00 0.00 C ATOM 345 O ASN A 25 -0.699 13.711 1.207 1.00 0.00 O ATOM 346 CB ASN A 25 1.075 12.385 3.292 1.00 0.00 C ATOM 347 CG ASN A 25 -0.110 12.151 4.210 1.00 0.00 C ATOM 348 OD1 ASN A 25 -1.109 13.021 4.119 1.00 0.00 O flip ATOM 349 ND2 ASN A 25 -0.126 11.199 4.990 1.00 0.00 N flip ATOM 0 H ASN A 25 2.650 12.837 1.450 1.00 0.00 H new ATOM 0 HA ASN A 25 0.748 10.857 1.817 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.939 11.842 3.673 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.335 13.444 3.301 1.00 0.00 H new ATOM 0 HD21 ASN A 25 0.665 10.555 5.026 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.930 11.054 5.601 1.00 0.00 H new ATOM 356 N VAL A 26 -1.519 11.615 1.206 1.00 0.00 N ATOM 357 CA VAL A 26 -2.850 12.019 0.767 1.00 0.00 C ATOM 358 C VAL A 26 -3.922 11.505 1.721 1.00 0.00 C ATOM 359 O VAL A 26 -3.620 10.843 2.713 1.00 0.00 O ATOM 360 CB VAL A 26 -3.152 11.504 -0.653 1.00 0.00 C ATOM 361 CG1 VAL A 26 -2.247 12.182 -1.671 1.00 0.00 C ATOM 362 CG2 VAL A 26 -2.999 9.992 -0.715 1.00 0.00 C ATOM 0 H VAL A 26 -1.410 10.612 1.353 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.865 13.109 0.761 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.185 11.752 -0.899 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.475 11.806 -2.668 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.411 13.259 -1.643 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.205 11.968 -1.432 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.216 9.645 -1.725 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.978 9.718 -0.449 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.693 9.527 -0.015 1.00 0.00 H new ATOM 372 N ASP A 27 -5.177 11.815 1.413 1.00 0.00 N ATOM 373 CA ASP A 27 -6.296 11.384 2.242 1.00 0.00 C ATOM 374 C ASP A 27 -7.106 10.298 1.540 1.00 0.00 C ATOM 375 O ASP A 27 -6.750 9.852 0.448 1.00 0.00 O ATOM 376 CB ASP A 27 -7.198 12.573 2.578 1.00 0.00 C ATOM 377 CG ASP A 27 -8.195 12.872 1.476 1.00 0.00 C ATOM 378 OD1 ASP A 27 -7.783 12.914 0.298 1.00 0.00 O ATOM 379 OD2 ASP A 27 -9.388 13.066 1.791 1.00 0.00 O ATOM 0 H ASP A 27 -5.444 12.363 0.595 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.893 10.971 3.167 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.735 12.368 3.504 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.582 13.454 2.755 1.00 0.00 H new ATOM 384 N ASP A 28 -8.195 9.876 2.173 1.00 0.00 N ATOM 385 CA ASP A 28 -9.055 8.843 1.609 1.00 0.00 C ATOM 386 C ASP A 28 -9.496 9.213 0.196 1.00 0.00 C ATOM 387 O ASP A 28 -9.549 8.362 -0.690 1.00 0.00 O ATOM 388 CB ASP A 28 -10.281 8.628 2.499 1.00 0.00 C ATOM 389 CG ASP A 28 -10.738 9.906 3.173 1.00 0.00 C ATOM 390 OD1 ASP A 28 -10.795 10.950 2.489 1.00 0.00 O ATOM 391 OD2 ASP A 28 -11.039 9.864 4.384 1.00 0.00 O ATOM 0 H ASP A 28 -8.503 10.234 3.077 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.483 7.916 1.560 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -11.097 8.226 1.898 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.048 7.883 3.260 1.00 0.00 H new ATOM 396 N GLU A 29 -9.811 10.489 -0.004 1.00 0.00 N ATOM 397 CA GLU A 29 -10.249 10.971 -1.309 1.00 0.00 C ATOM 398 C GLU A 29 -9.115 10.892 -2.327 1.00 0.00 C ATOM 399 O GLU A 29 -9.340 10.613 -3.504 1.00 0.00 O ATOM 400 CB GLU A 29 -10.754 12.411 -1.203 1.00 0.00 C ATOM 401 CG GLU A 29 -11.836 12.600 -0.153 1.00 0.00 C ATOM 402 CD GLU A 29 -13.232 12.392 -0.708 1.00 0.00 C ATOM 403 OE1 GLU A 29 -13.639 13.173 -1.594 1.00 0.00 O ATOM 404 OE2 GLU A 29 -13.916 11.450 -0.258 1.00 0.00 O ATOM 0 H GLU A 29 -9.771 11.207 0.720 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.064 10.332 -1.648 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.914 13.065 -0.969 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.142 12.724 -2.173 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.667 11.901 0.667 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.761 13.604 0.264 1.00 0.00 H new ATOM 411 N GLY A 30 -7.894 11.141 -1.864 1.00 0.00 N ATOM 412 CA GLY A 30 -6.742 11.095 -2.746 1.00 0.00 C ATOM 413 C GLY A 30 -6.126 12.462 -2.968 1.00 0.00 C ATOM 414 O GLY A 30 -5.359 12.660 -3.910 1.00 0.00 O ATOM 0 H GLY A 30 -7.682 11.374 -0.894 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.992 10.426 -2.324 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.040 10.674 -3.706 1.00 0.00 H new ATOM 418 N VAL A 31 -6.464 13.410 -2.099 1.00 0.00 N ATOM 419 CA VAL A 31 -5.940 14.766 -2.205 1.00 0.00 C ATOM 420 C VAL A 31 -4.513 14.847 -1.674 1.00 0.00 C ATOM 421 O VAL A 31 -4.048 13.945 -0.977 1.00 0.00 O ATOM 422 CB VAL A 31 -6.820 15.770 -1.437 1.00 0.00 C ATOM 423 CG1 VAL A 31 -8.272 15.647 -1.869 1.00 0.00 C ATOM 424 CG2 VAL A 31 -6.682 15.559 0.063 1.00 0.00 C ATOM 0 H VAL A 31 -7.098 13.263 -1.314 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.946 15.025 -3.264 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.481 16.779 -1.672 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.878 16.364 -1.316 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.353 15.851 -2.937 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.628 14.637 -1.665 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.310 16.277 0.591 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.994 14.546 0.318 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.642 15.703 0.356 1.00 0.00 H new ATOM 434 N GLU A 32 -3.823 15.933 -2.008 1.00 0.00 N ATOM 435 CA GLU A 32 -2.448 16.131 -1.564 1.00 0.00 C ATOM 436 C GLU A 32 -2.395 17.068 -0.361 1.00 0.00 C ATOM 437 O GLU A 32 -2.626 18.271 -0.486 1.00 0.00 O ATOM 438 CB GLU A 32 -1.597 16.696 -2.703 1.00 0.00 C ATOM 439 CG GLU A 32 -1.611 15.837 -3.957 1.00 0.00 C ATOM 440 CD GLU A 32 -1.109 16.581 -5.179 1.00 0.00 C ATOM 441 OE1 GLU A 32 -1.501 17.753 -5.364 1.00 0.00 O ATOM 442 OE2 GLU A 32 -0.324 15.992 -5.951 1.00 0.00 O ATOM 0 H GLU A 32 -4.193 16.689 -2.584 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.046 15.163 -1.266 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.956 17.694 -2.953 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.569 16.804 -2.358 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.993 14.954 -3.795 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.626 15.486 -4.141 1.00 0.00 H new ATOM 449 N LEU A 33 -2.088 16.508 0.804 1.00 0.00 N ATOM 450 CA LEU A 33 -2.004 17.293 2.031 1.00 0.00 C ATOM 451 C LEU A 33 -0.587 17.814 2.248 1.00 0.00 C ATOM 452 O LEU A 33 -0.371 19.019 2.377 1.00 0.00 O ATOM 453 CB LEU A 33 -2.438 16.448 3.230 1.00 0.00 C ATOM 454 CG LEU A 33 -3.750 15.679 3.070 1.00 0.00 C ATOM 455 CD1 LEU A 33 -4.009 14.807 4.289 1.00 0.00 C ATOM 456 CD2 LEU A 33 -4.907 16.640 2.843 1.00 0.00 C ATOM 0 H LEU A 33 -1.893 15.514 0.925 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.674 18.147 1.934 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.646 15.733 3.451 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.527 17.103 4.097 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.666 15.032 2.197 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.947 14.267 4.158 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.193 14.094 4.406 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.073 15.434 5.178 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.833 16.075 2.731 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.993 17.313 3.696 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.725 17.221 1.939 1.00 0.00 H new ATOM 468 N GLY A 34 0.376 16.899 2.285 1.00 0.00 N ATOM 469 CA GLY A 34 1.761 17.286 2.484 1.00 0.00 C ATOM 470 C GLY A 34 2.730 16.352 1.786 1.00 0.00 C ATOM 471 O GLY A 34 2.504 15.144 1.725 1.00 0.00 O ATOM 0 H GLY A 34 0.222 15.896 2.181 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.908 18.300 2.114 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.981 17.301 3.551 1.00 0.00 H new ATOM 475 N SER A 35 3.812 16.914 1.256 1.00 0.00 N ATOM 476 CA SER A 35 4.817 16.124 0.554 1.00 0.00 C ATOM 477 C SER A 35 5.814 15.517 1.536 1.00 0.00 C ATOM 478 O SER A 35 6.184 16.141 2.529 1.00 0.00 O ATOM 479 CB SER A 35 5.554 16.990 -0.469 1.00 0.00 C ATOM 480 OG SER A 35 6.218 18.071 0.163 1.00 0.00 O ATOM 0 H SER A 35 4.015 17.913 1.299 1.00 0.00 H new ATOM 0 HA SER A 35 4.307 15.313 0.033 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.278 16.382 -1.011 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.846 17.373 -1.203 1.00 0.00 H new ATOM 0 HG SER A 35 6.683 18.609 -0.512 1.00 0.00 H new ATOM 486 N GLY A 36 6.247 14.292 1.250 1.00 0.00 N ATOM 487 CA GLY A 36 7.197 13.620 2.116 1.00 0.00 C ATOM 488 C GLY A 36 8.170 12.750 1.345 1.00 0.00 C ATOM 489 O GLY A 36 7.929 12.413 0.186 1.00 0.00 O ATOM 0 H GLY A 36 5.956 13.754 0.434 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.753 14.364 2.687 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.656 13.005 2.836 1.00 0.00 H new ATOM 493 N VAL A 37 9.275 12.387 1.988 1.00 0.00 N ATOM 494 CA VAL A 37 10.289 11.552 1.355 1.00 0.00 C ATOM 495 C VAL A 37 10.353 10.176 2.008 1.00 0.00 C ATOM 496 O VAL A 37 10.583 10.058 3.211 1.00 0.00 O ATOM 497 CB VAL A 37 11.681 12.208 1.427 1.00 0.00 C ATOM 498 CG1 VAL A 37 12.765 11.198 1.082 1.00 0.00 C ATOM 499 CG2 VAL A 37 11.750 13.414 0.502 1.00 0.00 C ATOM 0 H VAL A 37 9.491 12.658 2.947 1.00 0.00 H new ATOM 0 HA VAL A 37 10.001 11.442 0.309 1.00 0.00 H new ATOM 0 HB VAL A 37 11.850 12.552 2.447 1.00 0.00 H new ATOM 0 HG11 VAL A 37 13.742 11.679 1.138 1.00 0.00 H new ATOM 0 HG12 VAL A 37 12.728 10.369 1.789 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.603 10.822 0.072 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.740 13.865 0.566 1.00 0.00 H new ATOM 0 HG22 VAL A 37 11.561 13.097 -0.524 1.00 0.00 H new ATOM 0 HG23 VAL A 37 10.999 14.145 0.800 1.00 0.00 H new ATOM 509 N MET A 38 10.149 9.136 1.205 1.00 0.00 N ATOM 510 CA MET A 38 10.185 7.767 1.705 1.00 0.00 C ATOM 511 C MET A 38 11.528 7.112 1.399 1.00 0.00 C ATOM 512 O MET A 38 12.024 7.187 0.275 1.00 0.00 O ATOM 513 CB MET A 38 9.052 6.946 1.087 1.00 0.00 C ATOM 514 CG MET A 38 8.896 5.565 1.703 1.00 0.00 C ATOM 515 SD MET A 38 8.249 5.624 3.385 1.00 0.00 S ATOM 516 CE MET A 38 6.487 5.666 3.069 1.00 0.00 C ATOM 0 H MET A 38 9.957 9.216 0.206 1.00 0.00 H new ATOM 0 HA MET A 38 10.054 7.798 2.787 1.00 0.00 H new ATOM 0 HB2 MET A 38 8.116 7.493 1.199 1.00 0.00 H new ATOM 0 HB3 MET A 38 9.233 6.839 0.017 1.00 0.00 H new ATOM 0 HG2 MET A 38 8.229 4.968 1.082 1.00 0.00 H new ATOM 0 HG3 MET A 38 9.863 5.062 1.707 1.00 0.00 H new ATOM 0 HE1 MET A 38 5.965 6.003 3.964 1.00 0.00 H new ATOM 0 HE2 MET A 38 6.281 6.353 2.248 1.00 0.00 H new ATOM 0 HE3 MET A 38 6.141 4.667 2.802 1.00 0.00 H new ATOM 526 N GLU A 39 12.112 6.471 2.407 1.00 0.00 N ATOM 527 CA GLU A 39 13.399 5.805 2.244 1.00 0.00 C ATOM 528 C GLU A 39 13.300 4.330 2.623 1.00 0.00 C ATOM 529 O GLU A 39 12.775 3.983 3.682 1.00 0.00 O ATOM 530 CB GLU A 39 14.466 6.492 3.099 1.00 0.00 C ATOM 531 CG GLU A 39 15.878 6.004 2.820 1.00 0.00 C ATOM 532 CD GLU A 39 16.937 6.918 3.404 1.00 0.00 C ATOM 533 OE1 GLU A 39 17.330 7.885 2.718 1.00 0.00 O ATOM 534 OE2 GLU A 39 17.374 6.666 4.546 1.00 0.00 O ATOM 0 H GLU A 39 11.715 6.399 3.344 1.00 0.00 H new ATOM 0 HA GLU A 39 13.685 5.874 1.194 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.421 7.567 2.926 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.236 6.329 4.152 1.00 0.00 H new ATOM 0 HG2 GLU A 39 16.000 5.002 3.232 1.00 0.00 H new ATOM 0 HG3 GLU A 39 16.025 5.925 1.743 1.00 0.00 H new ATOM 541 N LEU A 40 13.807 3.466 1.750 1.00 0.00 N ATOM 542 CA LEU A 40 13.776 2.028 1.992 1.00 0.00 C ATOM 543 C LEU A 40 15.130 1.529 2.484 1.00 0.00 C ATOM 544 O LEU A 40 16.010 1.198 1.688 1.00 0.00 O ATOM 545 CB LEU A 40 13.379 1.285 0.714 1.00 0.00 C ATOM 546 CG LEU A 40 11.882 1.049 0.513 1.00 0.00 C ATOM 547 CD1 LEU A 40 11.175 2.356 0.189 1.00 0.00 C ATOM 548 CD2 LEU A 40 11.647 0.026 -0.589 1.00 0.00 C ATOM 0 H LEU A 40 14.244 3.736 0.869 1.00 0.00 H new ATOM 0 HA LEU A 40 13.034 1.830 2.766 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.756 1.846 -0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 40 13.883 0.319 0.708 1.00 0.00 H new ATOM 0 HG LEU A 40 11.467 0.656 1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.110 2.169 0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.315 3.059 1.010 1.00 0.00 H new ATOM 0 HD13 LEU A 40 11.592 2.778 -0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 40 10.576 -0.130 -0.719 1.00 0.00 H new ATOM 0 HD22 LEU A 40 12.076 0.391 -1.522 1.00 0.00 H new ATOM 0 HD23 LEU A 40 12.120 -0.917 -0.317 1.00 0.00 H new ATOM 560 N THR A 41 15.292 1.475 3.802 1.00 0.00 N ATOM 561 CA THR A 41 16.539 1.015 4.401 1.00 0.00 C ATOM 562 C THR A 41 16.367 -0.356 5.044 1.00 0.00 C ATOM 563 O THR A 41 15.386 -0.604 5.746 1.00 0.00 O ATOM 564 CB THR A 41 17.051 2.006 5.463 1.00 0.00 C ATOM 565 OG1 THR A 41 16.049 2.213 6.465 1.00 0.00 O ATOM 566 CG2 THR A 41 17.420 3.338 4.826 1.00 0.00 C ATOM 0 H THR A 41 14.575 1.744 4.476 1.00 0.00 H new ATOM 0 HA THR A 41 17.270 0.947 3.595 1.00 0.00 H new ATOM 0 HB THR A 41 17.943 1.581 5.924 1.00 0.00 H new ATOM 0 HG1 THR A 41 15.215 1.779 6.188 1.00 0.00 H new ATOM 0 HG21 THR A 41 17.779 4.022 5.595 1.00 0.00 H new ATOM 0 HG22 THR A 41 18.204 3.182 4.085 1.00 0.00 H new ATOM 0 HG23 THR A 41 16.542 3.765 4.342 1.00 0.00 H new ATOM 574 N GLN A 42 17.326 -1.244 4.801 1.00 0.00 N ATOM 575 CA GLN A 42 17.279 -2.590 5.358 1.00 0.00 C ATOM 576 C GLN A 42 16.781 -2.567 6.799 1.00 0.00 C ATOM 577 O GLN A 42 16.219 -3.547 7.288 1.00 0.00 O ATOM 578 CB GLN A 42 18.663 -3.240 5.294 1.00 0.00 C ATOM 579 CG GLN A 42 19.211 -3.366 3.882 1.00 0.00 C ATOM 580 CD GLN A 42 20.370 -4.339 3.791 1.00 0.00 C ATOM 581 OE1 GLN A 42 21.523 -3.973 4.020 1.00 0.00 O ATOM 582 NE2 GLN A 42 20.069 -5.589 3.455 1.00 0.00 N ATOM 0 H GLN A 42 18.144 -1.055 4.222 1.00 0.00 H new ATOM 0 HA GLN A 42 16.581 -3.178 4.762 1.00 0.00 H new ATOM 0 HB2 GLN A 42 19.359 -2.653 5.894 1.00 0.00 H new ATOM 0 HB3 GLN A 42 18.611 -4.231 5.744 1.00 0.00 H new ATOM 0 HG2 GLN A 42 18.414 -3.693 3.215 1.00 0.00 H new ATOM 0 HG3 GLN A 42 19.536 -2.386 3.534 1.00 0.00 H new ATOM 0 HE21 GLN A 42 19.099 -5.849 3.274 1.00 0.00 H new ATOM 0 HE22 GLN A 42 20.807 -6.288 3.378 1.00 0.00 H new ATOM 591 N SER A 43 16.992 -1.442 7.474 1.00 0.00 N ATOM 592 CA SER A 43 16.568 -1.292 8.862 1.00 0.00 C ATOM 593 C SER A 43 15.050 -1.168 8.956 1.00 0.00 C ATOM 594 O SER A 43 14.389 -1.982 9.600 1.00 0.00 O ATOM 595 CB SER A 43 17.232 -0.065 9.490 1.00 0.00 C ATOM 596 OG SER A 43 18.638 -0.224 9.557 1.00 0.00 O ATOM 0 H SER A 43 17.454 -0.621 7.083 1.00 0.00 H new ATOM 0 HA SER A 43 16.876 -2.183 9.409 1.00 0.00 H new ATOM 0 HB2 SER A 43 16.991 0.822 8.905 1.00 0.00 H new ATOM 0 HB3 SER A 43 16.833 0.096 10.492 1.00 0.00 H new ATOM 0 HG SER A 43 19.039 0.574 9.960 1.00 0.00 H new ATOM 602 N GLU A 44 14.506 -0.142 8.308 1.00 0.00 N ATOM 603 CA GLU A 44 13.066 0.090 8.319 1.00 0.00 C ATOM 604 C GLU A 44 12.693 1.238 7.387 1.00 0.00 C ATOM 605 O GLU A 44 13.555 1.828 6.734 1.00 0.00 O ATOM 606 CB GLU A 44 12.587 0.395 9.740 1.00 0.00 C ATOM 607 CG GLU A 44 13.370 1.505 10.421 1.00 0.00 C ATOM 608 CD GLU A 44 13.399 1.359 11.930 1.00 0.00 C ATOM 609 OE1 GLU A 44 12.569 0.596 12.467 1.00 0.00 O ATOM 610 OE2 GLU A 44 14.250 2.007 12.573 1.00 0.00 O ATOM 0 H GLU A 44 15.040 0.541 7.770 1.00 0.00 H new ATOM 0 HA GLU A 44 12.575 -0.816 7.965 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.533 0.672 9.708 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.660 -0.511 10.341 1.00 0.00 H new ATOM 0 HG2 GLU A 44 14.392 1.510 10.041 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.929 2.467 10.161 1.00 0.00 H new ATOM 617 N LEU A 45 11.403 1.550 7.329 1.00 0.00 N ATOM 618 CA LEU A 45 10.914 2.628 6.477 1.00 0.00 C ATOM 619 C LEU A 45 10.872 3.949 7.238 1.00 0.00 C ATOM 620 O LEU A 45 10.376 4.014 8.363 1.00 0.00 O ATOM 621 CB LEU A 45 9.520 2.290 5.943 1.00 0.00 C ATOM 622 CG LEU A 45 9.476 1.529 4.618 1.00 0.00 C ATOM 623 CD1 LEU A 45 8.051 1.108 4.292 1.00 0.00 C ATOM 624 CD2 LEU A 45 10.053 2.379 3.495 1.00 0.00 C ATOM 0 H LEU A 45 10.677 1.072 7.862 1.00 0.00 H new ATOM 0 HA LEU A 45 11.602 2.735 5.639 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.998 1.700 6.696 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.963 3.219 5.824 1.00 0.00 H new ATOM 0 HG LEU A 45 10.085 0.631 4.716 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.039 0.568 3.345 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.672 0.462 5.084 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.419 1.993 4.213 1.00 0.00 H new ATOM 0 HD21 LEU A 45 10.014 1.821 2.559 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.471 3.295 3.396 1.00 0.00 H new ATOM 0 HD23 LEU A 45 11.089 2.630 3.724 1.00 0.00 H new ATOM 636 N VAL A 46 11.395 5.001 6.617 1.00 0.00 N ATOM 637 CA VAL A 46 11.415 6.322 7.235 1.00 0.00 C ATOM 638 C VAL A 46 10.740 7.357 6.341 1.00 0.00 C ATOM 639 O VAL A 46 10.822 7.282 5.115 1.00 0.00 O ATOM 640 CB VAL A 46 12.855 6.780 7.534 1.00 0.00 C ATOM 641 CG1 VAL A 46 12.848 8.035 8.393 1.00 0.00 C ATOM 642 CG2 VAL A 46 13.638 5.665 8.211 1.00 0.00 C ATOM 0 H VAL A 46 11.811 4.965 5.686 1.00 0.00 H new ATOM 0 HA VAL A 46 10.865 6.241 8.173 1.00 0.00 H new ATOM 0 HB VAL A 46 13.346 7.017 6.590 1.00 0.00 H new ATOM 0 HG11 VAL A 46 13.874 8.344 8.594 1.00 0.00 H new ATOM 0 HG12 VAL A 46 12.325 8.833 7.866 1.00 0.00 H new ATOM 0 HG13 VAL A 46 12.340 7.828 9.335 1.00 0.00 H new ATOM 0 HG21 VAL A 46 14.653 6.005 8.415 1.00 0.00 H new ATOM 0 HG22 VAL A 46 13.151 5.395 9.148 1.00 0.00 H new ATOM 0 HG23 VAL A 46 13.672 4.795 7.556 1.00 0.00 H new ATOM 652 N LEU A 47 10.073 8.322 6.964 1.00 0.00 N ATOM 653 CA LEU A 47 9.383 9.374 6.226 1.00 0.00 C ATOM 654 C LEU A 47 9.880 10.753 6.649 1.00 0.00 C ATOM 655 O LEU A 47 10.130 10.999 7.830 1.00 0.00 O ATOM 656 CB LEU A 47 7.873 9.274 6.448 1.00 0.00 C ATOM 657 CG LEU A 47 7.099 8.437 5.429 1.00 0.00 C ATOM 658 CD1 LEU A 47 5.601 8.569 5.657 1.00 0.00 C ATOM 659 CD2 LEU A 47 7.463 8.852 4.011 1.00 0.00 C ATOM 0 H LEU A 47 9.995 8.398 7.978 1.00 0.00 H new ATOM 0 HA LEU A 47 9.598 9.240 5.166 1.00 0.00 H new ATOM 0 HB2 LEU A 47 7.699 8.856 7.439 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.459 10.282 6.450 1.00 0.00 H new ATOM 0 HG LEU A 47 7.375 7.391 5.562 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.067 7.966 4.922 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.354 8.222 6.660 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.308 9.614 5.552 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.903 8.246 3.299 1.00 0.00 H new ATOM 0 HD22 LEU A 47 7.216 9.904 3.865 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.531 8.704 3.852 1.00 0.00 H new ATOM 671 N HIS A 48 10.021 11.650 5.678 1.00 0.00 N ATOM 672 CA HIS A 48 10.486 13.005 5.950 1.00 0.00 C ATOM 673 C HIS A 48 9.565 14.036 5.304 1.00 0.00 C ATOM 674 O HIS A 48 9.402 14.058 4.083 1.00 0.00 O ATOM 675 CB HIS A 48 11.915 13.189 5.439 1.00 0.00 C ATOM 676 CG HIS A 48 12.885 12.196 6.001 1.00 0.00 C ATOM 677 ND1 HIS A 48 13.529 12.372 7.208 1.00 0.00 N ATOM 678 CD2 HIS A 48 13.318 11.009 5.516 1.00 0.00 C ATOM 679 CE1 HIS A 48 14.317 11.338 7.439 1.00 0.00 C ATOM 680 NE2 HIS A 48 14.207 10.496 6.427 1.00 0.00 N ATOM 0 H HIS A 48 9.820 11.463 4.696 1.00 0.00 H new ATOM 0 HA HIS A 48 10.472 13.157 7.029 1.00 0.00 H new ATOM 0 HB2 HIS A 48 11.916 13.110 4.352 1.00 0.00 H new ATOM 0 HB3 HIS A 48 12.254 14.195 5.686 1.00 0.00 H new ATOM 0 HD2 HIS A 48 13.019 10.551 4.585 1.00 0.00 H new ATOM 0 HE1 HIS A 48 14.945 11.203 8.308 1.00 0.00 H new ATOM 0 HE2 HIS A 48 14.702 9.609 6.337 1.00 0.00 H new ATOM 689 N LEU A 49 8.965 14.886 6.129 1.00 0.00 N ATOM 690 CA LEU A 49 8.060 15.919 5.638 1.00 0.00 C ATOM 691 C LEU A 49 8.567 17.309 6.009 1.00 0.00 C ATOM 692 O LEU A 49 8.092 18.316 5.482 1.00 0.00 O ATOM 693 CB LEU A 49 6.656 15.707 6.207 1.00 0.00 C ATOM 694 CG LEU A 49 6.572 14.903 7.505 1.00 0.00 C ATOM 695 CD1 LEU A 49 7.091 13.489 7.291 1.00 0.00 C ATOM 696 CD2 LEU A 49 7.350 15.597 8.614 1.00 0.00 C ATOM 0 H LEU A 49 9.089 14.880 7.141 1.00 0.00 H new ATOM 0 HA LEU A 49 8.020 15.845 4.551 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.204 16.684 6.378 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.052 15.204 5.452 1.00 0.00 H new ATOM 0 HG LEU A 49 5.526 14.843 7.806 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.024 12.931 8.225 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.491 12.993 6.528 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.131 13.528 6.966 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.279 15.011 9.530 1.00 0.00 H new ATOM 0 HD22 LEU A 49 8.396 15.689 8.322 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.933 16.589 8.785 1.00 0.00 H new ATOM 789 N ALA A 54 11.545 12.173 11.937 1.00 0.00 N ATOM 790 CA ALA A 54 10.970 11.332 10.895 1.00 0.00 C ATOM 791 C ALA A 54 10.311 10.092 11.490 1.00 0.00 C ATOM 792 O ALA A 54 10.774 9.553 12.495 1.00 0.00 O ATOM 793 CB ALA A 54 12.040 10.931 9.890 1.00 0.00 C ATOM 0 HA ALA A 54 10.201 11.909 10.381 1.00 0.00 H new ATOM 0 HB1 ALA A 54 11.596 10.303 9.117 1.00 0.00 H new ATOM 0 HB2 ALA A 54 12.463 11.825 9.432 1.00 0.00 H new ATOM 0 HB3 ALA A 54 12.828 10.377 10.400 1.00 0.00 H new ATOM 799 N VAL A 55 9.226 9.646 10.865 1.00 0.00 N ATOM 800 CA VAL A 55 8.503 8.469 11.333 1.00 0.00 C ATOM 801 C VAL A 55 9.139 7.188 10.806 1.00 0.00 C ATOM 802 O VAL A 55 9.436 7.074 9.616 1.00 0.00 O ATOM 803 CB VAL A 55 7.025 8.511 10.903 1.00 0.00 C ATOM 804 CG1 VAL A 55 6.268 7.323 11.477 1.00 0.00 C ATOM 805 CG2 VAL A 55 6.383 9.822 11.332 1.00 0.00 C ATOM 0 H VAL A 55 8.828 10.082 10.033 1.00 0.00 H new ATOM 0 HA VAL A 55 8.557 8.476 12.422 1.00 0.00 H new ATOM 0 HB VAL A 55 6.978 8.449 9.816 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.225 7.370 11.163 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.715 6.397 11.115 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.320 7.350 12.565 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.339 9.835 11.020 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.439 9.917 12.416 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.911 10.655 10.867 1.00 0.00 H new ATOM 815 N ARG A 56 9.344 6.225 11.698 1.00 0.00 N ATOM 816 CA ARG A 56 9.945 4.951 11.323 1.00 0.00 C ATOM 817 C ARG A 56 8.923 3.822 11.407 1.00 0.00 C ATOM 818 O ARG A 56 8.114 3.771 12.334 1.00 0.00 O ATOM 819 CB ARG A 56 11.140 4.640 12.227 1.00 0.00 C ATOM 820 CG ARG A 56 12.215 5.714 12.206 1.00 0.00 C ATOM 821 CD ARG A 56 13.051 5.690 13.476 1.00 0.00 C ATOM 822 NE ARG A 56 14.138 6.665 13.435 1.00 0.00 N ATOM 823 CZ ARG A 56 15.221 6.590 14.199 1.00 0.00 C ATOM 824 NH1 ARG A 56 15.362 5.592 15.060 1.00 0.00 N ATOM 825 NH2 ARG A 56 16.167 7.516 14.104 1.00 0.00 N ATOM 0 H ARG A 56 9.103 6.303 12.686 1.00 0.00 H new ATOM 0 HA ARG A 56 10.289 5.030 10.292 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.787 4.511 13.250 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.580 3.691 11.920 1.00 0.00 H new ATOM 0 HG2 ARG A 56 12.861 5.567 11.341 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.750 6.693 12.093 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.412 5.896 14.335 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.465 4.692 13.619 1.00 0.00 H new ATOM 0 HE ARG A 56 14.061 7.446 12.784 1.00 0.00 H new ATOM 0 HH11 ARG A 56 14.637 4.879 15.137 1.00 0.00 H new ATOM 0 HH12 ARG A 56 16.195 5.537 15.645 1.00 0.00 H new ATOM 0 HH21 ARG A 56 16.062 8.286 13.444 1.00 0.00 H new ATOM 0 HH22 ARG A 56 16.999 7.457 14.691 1.00 0.00 H new ATOM 839 N TRP A 57 8.964 2.919 10.434 1.00 0.00 N ATOM 840 CA TRP A 57 8.041 1.791 10.398 1.00 0.00 C ATOM 841 C TRP A 57 8.798 0.469 10.343 1.00 0.00 C ATOM 842 O TRP A 57 9.451 0.141 9.352 1.00 0.00 O ATOM 843 CB TRP A 57 7.107 1.908 9.192 1.00 0.00 C ATOM 844 CG TRP A 57 5.934 2.809 9.435 1.00 0.00 C ATOM 845 CD1 TRP A 57 4.783 2.494 10.101 1.00 0.00 C ATOM 846 CD2 TRP A 57 5.796 4.170 9.013 1.00 0.00 C ATOM 847 NE1 TRP A 57 3.939 3.578 10.118 1.00 0.00 N ATOM 848 CE2 TRP A 57 4.538 4.619 9.458 1.00 0.00 C ATOM 849 CE3 TRP A 57 6.615 5.054 8.305 1.00 0.00 C ATOM 850 CZ2 TRP A 57 4.080 5.912 9.216 1.00 0.00 C ATOM 851 CZ3 TRP A 57 6.160 6.336 8.065 1.00 0.00 C ATOM 852 CH2 TRP A 57 4.902 6.756 8.520 1.00 0.00 C ATOM 0 H TRP A 57 9.627 2.946 9.659 1.00 0.00 H new ATOM 0 HA TRP A 57 7.448 1.811 11.312 1.00 0.00 H new ATOM 0 HB2 TRP A 57 7.672 2.282 8.338 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.745 0.915 8.924 1.00 0.00 H new ATOM 0 HD1 TRP A 57 4.568 1.535 10.548 1.00 0.00 H new ATOM 0 HE1 TRP A 57 3.016 3.604 10.552 1.00 0.00 H new ATOM 0 HE3 TRP A 57 7.586 4.740 7.952 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 3.111 6.237 9.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 6.784 7.027 7.517 1.00 0.00 H new ATOM 0 HH2 TRP A 57 4.575 7.765 8.317 1.00 0.00 H new ATOM 863 N PRO A 58 8.712 -0.310 11.431 1.00 0.00 N ATOM 864 CA PRO A 58 9.383 -1.610 11.530 1.00 0.00 C ATOM 865 C PRO A 58 8.759 -2.655 10.612 1.00 0.00 C ATOM 866 O PRO A 58 7.616 -3.068 10.811 1.00 0.00 O ATOM 867 CB PRO A 58 9.185 -2.000 12.997 1.00 0.00 C ATOM 868 CG PRO A 58 7.955 -1.273 13.420 1.00 0.00 C ATOM 869 CD PRO A 58 7.951 0.018 12.649 1.00 0.00 C ATOM 0 HA PRO A 58 10.429 -1.554 11.227 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.065 -3.078 13.107 1.00 0.00 H new ATOM 0 HB3 PRO A 58 10.044 -1.711 13.603 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.062 -1.859 13.204 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.962 -1.086 14.494 1.00 0.00 H new ATOM 0 HD2 PRO A 58 6.937 0.343 12.414 1.00 0.00 H new ATOM 0 HD3 PRO A 58 8.422 0.824 13.212 1.00 0.00 H new ATOM 877 N TYR A 59 9.517 -3.080 9.607 1.00 0.00 N ATOM 878 CA TYR A 59 9.037 -4.077 8.657 1.00 0.00 C ATOM 879 C TYR A 59 8.304 -5.205 9.375 1.00 0.00 C ATOM 880 O TYR A 59 7.449 -5.876 8.793 1.00 0.00 O ATOM 881 CB TYR A 59 10.205 -4.645 7.849 1.00 0.00 C ATOM 882 CG TYR A 59 10.831 -3.646 6.903 1.00 0.00 C ATOM 883 CD1 TYR A 59 10.043 -2.868 6.063 1.00 0.00 C ATOM 884 CD2 TYR A 59 12.209 -3.479 6.849 1.00 0.00 C ATOM 885 CE1 TYR A 59 10.611 -1.954 5.196 1.00 0.00 C ATOM 886 CE2 TYR A 59 12.785 -2.566 5.986 1.00 0.00 C ATOM 887 CZ TYR A 59 11.982 -1.807 5.161 1.00 0.00 C ATOM 888 OH TYR A 59 12.550 -0.896 4.300 1.00 0.00 O ATOM 0 H TYR A 59 10.466 -2.750 9.429 1.00 0.00 H new ATOM 0 HA TYR A 59 8.338 -3.589 7.978 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.968 -5.009 8.537 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.856 -5.505 7.277 1.00 0.00 H new ATOM 0 HD1 TYR A 59 8.969 -2.980 6.088 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.841 -4.073 7.493 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.985 -1.358 4.549 1.00 0.00 H new ATOM 0 HE2 TYR A 59 13.858 -2.448 5.958 1.00 0.00 H new ATOM 0 HH TYR A 59 13.450 -0.666 4.614 1.00 0.00 H new ATOM 898 N LEU A 60 8.642 -5.410 10.643 1.00 0.00 N ATOM 899 CA LEU A 60 8.016 -6.456 11.443 1.00 0.00 C ATOM 900 C LEU A 60 6.533 -6.169 11.651 1.00 0.00 C ATOM 901 O LEU A 60 5.673 -6.910 11.172 1.00 0.00 O ATOM 902 CB LEU A 60 8.718 -6.580 12.796 1.00 0.00 C ATOM 903 CG LEU A 60 8.760 -7.982 13.405 1.00 0.00 C ATOM 904 CD1 LEU A 60 9.709 -8.020 14.593 1.00 0.00 C ATOM 905 CD2 LEU A 60 7.365 -8.425 13.820 1.00 0.00 C ATOM 0 H LEU A 60 9.347 -4.865 11.140 1.00 0.00 H new ATOM 0 HA LEU A 60 8.112 -7.398 10.903 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.742 -6.223 12.685 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.223 -5.914 13.502 1.00 0.00 H new ATOM 0 HG LEU A 60 9.130 -8.675 12.649 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.726 -9.026 15.013 1.00 0.00 H new ATOM 0 HD12 LEU A 60 10.712 -7.747 14.266 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.370 -7.315 15.352 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.414 -9.425 14.251 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.967 -7.730 14.560 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.713 -8.438 12.947 1.00 0.00 H new ATOM 917 N CYS A 61 6.240 -5.088 12.366 1.00 0.00 N ATOM 918 CA CYS A 61 4.860 -4.702 12.637 1.00 0.00 C ATOM 919 C CYS A 61 4.031 -4.714 11.357 1.00 0.00 C ATOM 920 O CYS A 61 2.901 -5.204 11.341 1.00 0.00 O ATOM 921 CB CYS A 61 4.813 -3.312 13.275 1.00 0.00 C ATOM 922 SG CYS A 61 5.609 -3.218 14.896 1.00 0.00 S ATOM 0 H CYS A 61 6.939 -4.464 12.768 1.00 0.00 H new ATOM 0 HA CYS A 61 4.436 -5.428 13.331 1.00 0.00 H new ATOM 0 HB2 CYS A 61 5.293 -2.599 12.604 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.772 -3.004 13.375 1.00 0.00 H new ATOM 0 HG CYS A 61 5.520 -2.004 15.353 1.00 0.00 H new ATOM 928 N LEU A 62 4.598 -4.171 10.285 1.00 0.00 N ATOM 929 CA LEU A 62 3.911 -4.119 9.000 1.00 0.00 C ATOM 930 C LEU A 62 3.065 -5.369 8.783 1.00 0.00 C ATOM 931 O LEU A 62 3.557 -6.386 8.293 1.00 0.00 O ATOM 932 CB LEU A 62 4.924 -3.971 7.863 1.00 0.00 C ATOM 933 CG LEU A 62 5.416 -2.550 7.584 1.00 0.00 C ATOM 934 CD1 LEU A 62 6.292 -2.524 6.341 1.00 0.00 C ATOM 935 CD2 LEU A 62 4.239 -1.599 7.429 1.00 0.00 C ATOM 0 H LEU A 62 5.532 -3.761 10.281 1.00 0.00 H new ATOM 0 HA LEU A 62 3.250 -3.252 9.005 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.788 -4.596 8.089 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.476 -4.365 6.951 1.00 0.00 H new ATOM 0 HG LEU A 62 6.015 -2.220 8.433 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.633 -1.505 6.158 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.154 -3.174 6.490 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.717 -2.874 5.484 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.608 -0.593 7.231 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.614 -1.926 6.598 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.651 -1.596 8.347 1.00 0.00 H new ATOM 947 N ARG A 63 1.790 -5.286 9.148 1.00 0.00 N ATOM 948 CA ARG A 63 0.875 -6.410 8.993 1.00 0.00 C ATOM 949 C ARG A 63 0.622 -6.705 7.517 1.00 0.00 C ATOM 950 O ARG A 63 0.708 -7.852 7.079 1.00 0.00 O ATOM 951 CB ARG A 63 -0.449 -6.120 9.701 1.00 0.00 C ATOM 952 CG ARG A 63 -0.301 -5.874 11.193 1.00 0.00 C ATOM 953 CD ARG A 63 -0.275 -7.180 11.973 1.00 0.00 C ATOM 954 NE ARG A 63 -1.562 -7.869 11.929 1.00 0.00 N ATOM 955 CZ ARG A 63 -2.621 -7.494 12.638 1.00 0.00 C ATOM 956 NH1 ARG A 63 -2.546 -6.441 13.441 1.00 0.00 N ATOM 957 NH2 ARG A 63 -3.758 -8.172 12.544 1.00 0.00 N ATOM 0 H ARG A 63 1.367 -4.451 9.554 1.00 0.00 H new ATOM 0 HA ARG A 63 1.336 -7.287 9.447 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.913 -5.247 9.242 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.126 -6.960 9.545 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.617 -5.318 11.382 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.127 -5.255 11.545 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.499 -7.831 11.565 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.007 -6.978 13.010 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.653 -8.683 11.321 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.674 -5.917 13.515 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.360 -6.155 13.984 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.819 -8.982 11.927 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.571 -7.883 13.089 1.00 0.00 H new ATOM 971 N ARG A 64 0.308 -5.661 6.756 1.00 0.00 N ATOM 972 CA ARG A 64 0.040 -5.808 5.331 1.00 0.00 C ATOM 973 C ARG A 64 0.557 -4.600 4.553 1.00 0.00 C ATOM 974 O ARG A 64 0.486 -3.467 5.029 1.00 0.00 O ATOM 975 CB ARG A 64 -1.460 -5.981 5.087 1.00 0.00 C ATOM 976 CG ARG A 64 -2.235 -4.673 5.104 1.00 0.00 C ATOM 977 CD ARG A 64 -3.630 -4.845 4.525 1.00 0.00 C ATOM 978 NE ARG A 64 -4.571 -3.866 5.064 1.00 0.00 N ATOM 979 CZ ARG A 64 -5.221 -4.025 6.211 1.00 0.00 C ATOM 980 NH1 ARG A 64 -5.033 -5.119 6.937 1.00 0.00 N ATOM 981 NH2 ARG A 64 -6.060 -3.089 6.635 1.00 0.00 N ATOM 0 H ARG A 64 0.233 -4.705 7.103 1.00 0.00 H new ATOM 0 HA ARG A 64 0.563 -6.697 4.979 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.609 -6.469 4.124 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.869 -6.646 5.848 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.307 -4.305 6.127 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.693 -3.920 4.532 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.587 -4.747 3.440 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.990 -5.851 4.740 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.738 -3.013 4.530 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -4.388 -5.840 6.615 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -5.533 -5.239 7.818 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -6.206 -2.246 6.080 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -6.559 -3.212 7.516 1.00 0.00 H new ATOM 995 N TYR A 65 1.076 -4.852 3.357 1.00 0.00 N ATOM 996 CA TYR A 65 1.607 -3.786 2.515 1.00 0.00 C ATOM 997 C TYR A 65 1.221 -4.002 1.055 1.00 0.00 C ATOM 998 O TYR A 65 1.677 -4.948 0.414 1.00 0.00 O ATOM 999 CB TYR A 65 3.129 -3.714 2.646 1.00 0.00 C ATOM 1000 CG TYR A 65 3.828 -5.012 2.310 1.00 0.00 C ATOM 1001 CD1 TYR A 65 3.881 -6.053 3.229 1.00 0.00 C ATOM 1002 CD2 TYR A 65 4.435 -5.198 1.075 1.00 0.00 C ATOM 1003 CE1 TYR A 65 4.519 -7.241 2.927 1.00 0.00 C ATOM 1004 CE2 TYR A 65 5.074 -6.383 0.763 1.00 0.00 C ATOM 1005 CZ TYR A 65 5.113 -7.401 1.693 1.00 0.00 C ATOM 1006 OH TYR A 65 5.750 -8.582 1.387 1.00 0.00 O ATOM 0 H TYR A 65 1.141 -5.784 2.948 1.00 0.00 H new ATOM 0 HA TYR A 65 1.175 -2.843 2.851 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.505 -2.928 1.990 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.384 -3.427 3.666 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.416 -5.931 4.196 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.407 -4.402 0.345 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.552 -8.040 3.653 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.540 -6.511 -0.203 1.00 0.00 H new ATOM 0 HH TYR A 65 5.093 -9.308 1.351 1.00 0.00 H new ATOM 1016 N GLY A 66 0.376 -3.116 0.536 1.00 0.00 N ATOM 1017 CA GLY A 66 -0.057 -3.225 -0.845 1.00 0.00 C ATOM 1018 C GLY A 66 0.532 -2.142 -1.726 1.00 0.00 C ATOM 1019 O GLY A 66 1.491 -1.472 -1.340 1.00 0.00 O ATOM 0 H GLY A 66 -0.016 -2.325 1.047 1.00 0.00 H new ATOM 0 HA2 GLY A 66 0.229 -4.202 -1.236 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.145 -3.171 -0.886 1.00 0.00 H new ATOM 1023 N TYR A 67 -0.040 -1.969 -2.912 1.00 0.00 N ATOM 1024 CA TYR A 67 0.438 -0.962 -3.852 1.00 0.00 C ATOM 1025 C TYR A 67 -0.605 -0.685 -4.930 1.00 0.00 C ATOM 1026 O TYR A 67 -1.630 -1.363 -5.007 1.00 0.00 O ATOM 1027 CB TYR A 67 1.747 -1.417 -4.498 1.00 0.00 C ATOM 1028 CG TYR A 67 1.551 -2.346 -5.675 1.00 0.00 C ATOM 1029 CD1 TYR A 67 0.860 -3.543 -5.533 1.00 0.00 C ATOM 1030 CD2 TYR A 67 2.055 -2.026 -6.929 1.00 0.00 C ATOM 1031 CE1 TYR A 67 0.679 -4.395 -6.605 1.00 0.00 C ATOM 1032 CE2 TYR A 67 1.877 -2.872 -8.008 1.00 0.00 C ATOM 1033 CZ TYR A 67 1.189 -4.055 -7.840 1.00 0.00 C ATOM 1034 OH TYR A 67 1.009 -4.900 -8.911 1.00 0.00 O ATOM 0 H TYR A 67 -0.836 -2.513 -3.246 1.00 0.00 H new ATOM 0 HA TYR A 67 0.616 -0.040 -3.298 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.304 -0.540 -4.827 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.357 -1.919 -3.747 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.457 -3.812 -4.568 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.595 -1.101 -7.064 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.141 -5.323 -6.476 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.275 -2.608 -8.977 1.00 0.00 H new ATOM 0 HH TYR A 67 1.428 -4.513 -9.707 1.00 0.00 H new ATOM 1044 N ASP A 68 -0.336 0.315 -5.761 1.00 0.00 N ATOM 1045 CA ASP A 68 -1.249 0.683 -6.838 1.00 0.00 C ATOM 1046 C ASP A 68 -0.566 1.612 -7.836 1.00 0.00 C ATOM 1047 O ASP A 68 0.483 2.187 -7.547 1.00 0.00 O ATOM 1048 CB ASP A 68 -2.498 1.356 -6.268 1.00 0.00 C ATOM 1049 CG ASP A 68 -3.729 1.107 -7.118 1.00 0.00 C ATOM 1050 OD1 ASP A 68 -4.286 -0.008 -7.045 1.00 0.00 O ATOM 1051 OD2 ASP A 68 -4.135 2.029 -7.856 1.00 0.00 O ATOM 0 H ASP A 68 0.507 0.886 -5.710 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.542 -0.228 -7.360 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.677 0.987 -5.258 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.325 2.429 -6.190 1.00 0.00 H new ATOM 1056 N SER A 69 -1.169 1.754 -9.012 1.00 0.00 N ATOM 1057 CA SER A 69 -0.616 2.610 -10.056 1.00 0.00 C ATOM 1058 C SER A 69 -0.093 3.917 -9.467 1.00 0.00 C ATOM 1059 O SER A 69 1.085 4.243 -9.601 1.00 0.00 O ATOM 1060 CB SER A 69 -1.677 2.905 -11.118 1.00 0.00 C ATOM 1061 OG SER A 69 -1.124 3.626 -12.205 1.00 0.00 O ATOM 0 H SER A 69 -2.040 1.288 -9.266 1.00 0.00 H new ATOM 0 HA SER A 69 0.217 2.082 -10.521 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.105 1.970 -11.478 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.491 3.478 -10.674 1.00 0.00 H new ATOM 0 HG SER A 69 -1.822 3.800 -12.871 1.00 0.00 H new ATOM 1067 N ASN A 70 -0.980 4.660 -8.813 1.00 0.00 N ATOM 1068 CA ASN A 70 -0.610 5.932 -8.203 1.00 0.00 C ATOM 1069 C ASN A 70 -1.088 6.001 -6.756 1.00 0.00 C ATOM 1070 O ASN A 70 -1.556 7.043 -6.294 1.00 0.00 O ATOM 1071 CB ASN A 70 -1.199 7.096 -9.003 1.00 0.00 C ATOM 1072 CG ASN A 70 -0.427 8.385 -8.801 1.00 0.00 C ATOM 1073 OD1 ASN A 70 0.474 8.710 -9.575 1.00 0.00 O ATOM 1074 ND2 ASN A 70 -0.777 9.128 -7.757 1.00 0.00 N ATOM 0 H ASN A 70 -1.960 4.403 -8.692 1.00 0.00 H new ATOM 0 HA ASN A 70 0.477 6.008 -8.212 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -1.203 6.840 -10.063 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -2.237 7.247 -8.708 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -0.293 10.006 -7.571 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -1.530 8.820 -7.141 1.00 0.00 H new ATOM 1081 N LEU A 71 -0.967 4.886 -6.045 1.00 0.00 N ATOM 1082 CA LEU A 71 -1.386 4.819 -4.649 1.00 0.00 C ATOM 1083 C LEU A 71 -0.596 3.756 -3.893 1.00 0.00 C ATOM 1084 O LEU A 71 -0.521 2.603 -4.319 1.00 0.00 O ATOM 1085 CB LEU A 71 -2.883 4.517 -4.560 1.00 0.00 C ATOM 1086 CG LEU A 71 -3.602 5.050 -3.320 1.00 0.00 C ATOM 1087 CD1 LEU A 71 -3.245 4.219 -2.097 1.00 0.00 C ATOM 1088 CD2 LEU A 71 -3.258 6.514 -3.091 1.00 0.00 C ATOM 0 H LEU A 71 -0.582 4.016 -6.412 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.188 5.787 -4.189 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.370 4.930 -5.443 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.018 3.436 -4.597 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.676 4.972 -3.486 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.766 4.613 -1.225 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.544 3.184 -2.261 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.169 4.264 -1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.779 6.876 -2.204 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.182 6.617 -2.947 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.566 7.100 -3.957 1.00 0.00 H new ATOM 1100 N PHE A 72 -0.008 4.151 -2.769 1.00 0.00 N ATOM 1101 CA PHE A 72 0.776 3.232 -1.952 1.00 0.00 C ATOM 1102 C PHE A 72 0.545 3.491 -0.466 1.00 0.00 C ATOM 1103 O PHE A 72 0.929 4.535 0.060 1.00 0.00 O ATOM 1104 CB PHE A 72 2.265 3.369 -2.279 1.00 0.00 C ATOM 1105 CG PHE A 72 3.164 2.735 -1.257 1.00 0.00 C ATOM 1106 CD1 PHE A 72 3.024 1.396 -0.927 1.00 0.00 C ATOM 1107 CD2 PHE A 72 4.149 3.477 -0.626 1.00 0.00 C ATOM 1108 CE1 PHE A 72 3.850 0.811 0.014 1.00 0.00 C ATOM 1109 CE2 PHE A 72 4.978 2.897 0.315 1.00 0.00 C ATOM 1110 CZ PHE A 72 4.829 1.562 0.635 1.00 0.00 C ATOM 0 H PHE A 72 -0.059 5.102 -2.403 1.00 0.00 H new ATOM 0 HA PHE A 72 0.452 2.217 -2.180 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.458 2.917 -3.252 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.514 4.427 -2.364 1.00 0.00 H new ATOM 0 HD1 PHE A 72 2.261 0.804 -1.410 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.270 4.521 -0.873 1.00 0.00 H new ATOM 0 HE1 PHE A 72 3.730 -0.233 0.264 1.00 0.00 H new ATOM 0 HE2 PHE A 72 5.742 3.487 0.800 1.00 0.00 H new ATOM 0 HZ PHE A 72 5.477 1.106 1.369 1.00 0.00 H new ATOM 1120 N SER A 73 -0.087 2.532 0.204 1.00 0.00 N ATOM 1121 CA SER A 73 -0.374 2.658 1.628 1.00 0.00 C ATOM 1122 C SER A 73 0.052 1.401 2.381 1.00 0.00 C ATOM 1123 O SER A 73 0.285 0.352 1.780 1.00 0.00 O ATOM 1124 CB SER A 73 -1.866 2.916 1.848 1.00 0.00 C ATOM 1125 OG SER A 73 -2.144 3.171 3.214 1.00 0.00 O ATOM 0 H SER A 73 -0.410 1.660 -0.216 1.00 0.00 H new ATOM 0 HA SER A 73 0.195 3.503 2.015 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.184 3.766 1.244 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.441 2.053 1.512 1.00 0.00 H new ATOM 0 HG SER A 73 -1.325 3.464 3.665 1.00 0.00 H new ATOM 1131 N PHE A 74 0.153 1.516 3.701 1.00 0.00 N ATOM 1132 CA PHE A 74 0.553 0.390 4.538 1.00 0.00 C ATOM 1133 C PHE A 74 -0.112 0.469 5.909 1.00 0.00 C ATOM 1134 O PHE A 74 -0.194 1.541 6.509 1.00 0.00 O ATOM 1135 CB PHE A 74 2.074 0.361 4.697 1.00 0.00 C ATOM 1136 CG PHE A 74 2.658 1.675 5.130 1.00 0.00 C ATOM 1137 CD1 PHE A 74 2.544 2.099 6.444 1.00 0.00 C ATOM 1138 CD2 PHE A 74 3.319 2.487 4.223 1.00 0.00 C ATOM 1139 CE1 PHE A 74 3.080 3.308 6.846 1.00 0.00 C ATOM 1140 CE2 PHE A 74 3.857 3.697 4.619 1.00 0.00 C ATOM 1141 CZ PHE A 74 3.737 4.108 5.932 1.00 0.00 C ATOM 0 H PHE A 74 -0.036 2.377 4.214 1.00 0.00 H new ATOM 0 HA PHE A 74 0.228 -0.528 4.049 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.340 -0.404 5.427 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.525 0.067 3.749 1.00 0.00 H new ATOM 0 HD1 PHE A 74 2.030 1.478 7.163 1.00 0.00 H new ATOM 0 HD2 PHE A 74 3.415 2.171 3.195 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.985 3.627 7.874 1.00 0.00 H new ATOM 0 HE2 PHE A 74 4.371 4.321 3.902 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.156 5.053 6.243 1.00 0.00 H new ATOM 1151 N GLU A 75 -0.584 -0.673 6.398 1.00 0.00 N ATOM 1152 CA GLU A 75 -1.242 -0.733 7.698 1.00 0.00 C ATOM 1153 C GLU A 75 -0.267 -1.184 8.782 1.00 0.00 C ATOM 1154 O GLU A 75 0.601 -2.023 8.540 1.00 0.00 O ATOM 1155 CB GLU A 75 -2.439 -1.685 7.645 1.00 0.00 C ATOM 1156 CG GLU A 75 -3.217 -1.757 8.948 1.00 0.00 C ATOM 1157 CD GLU A 75 -3.909 -3.093 9.141 1.00 0.00 C ATOM 1158 OE1 GLU A 75 -3.424 -4.099 8.582 1.00 0.00 O ATOM 1159 OE2 GLU A 75 -4.935 -3.132 9.851 1.00 0.00 O ATOM 0 H GLU A 75 -0.523 -1.569 5.914 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.594 0.269 7.945 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.111 -1.367 6.848 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.087 -2.684 7.386 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.538 -1.580 9.782 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.961 -0.961 8.967 1.00 0.00 H new ATOM 1166 N SER A 76 -0.417 -0.621 9.976 1.00 0.00 N ATOM 1167 CA SER A 76 0.452 -0.961 11.096 1.00 0.00 C ATOM 1168 C SER A 76 -0.366 -1.244 12.352 1.00 0.00 C ATOM 1169 O SER A 76 -1.472 -0.732 12.515 1.00 0.00 O ATOM 1170 CB SER A 76 1.443 0.174 11.364 1.00 0.00 C ATOM 1171 OG SER A 76 2.622 -0.313 11.980 1.00 0.00 O ATOM 0 H SER A 76 -1.132 0.073 10.193 1.00 0.00 H new ATOM 0 HA SER A 76 1.006 -1.862 10.833 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.697 0.668 10.426 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.978 0.924 12.004 1.00 0.00 H new ATOM 0 HG SER A 76 2.537 -0.238 12.953 1.00 0.00 H new ATOM 1177 N GLY A 77 0.188 -2.065 13.240 1.00 0.00 N ATOM 1178 CA GLY A 77 -0.503 -2.403 14.470 1.00 0.00 C ATOM 1179 C GLY A 77 -0.690 -1.204 15.378 1.00 0.00 C ATOM 1180 O GLY A 77 -0.920 -0.090 14.907 1.00 0.00 O ATOM 0 H GLY A 77 1.103 -2.502 13.129 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.477 -2.829 14.230 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.060 -3.172 15.000 1.00 0.00 H new ATOM 1184 N ARG A 78 -0.593 -1.431 16.684 1.00 0.00 N ATOM 1185 CA ARG A 78 -0.756 -0.361 17.660 1.00 0.00 C ATOM 1186 C ARG A 78 0.557 -0.082 18.386 1.00 0.00 C ATOM 1187 O ARG A 78 0.982 1.067 18.501 1.00 0.00 O ATOM 1188 CB ARG A 78 -1.843 -0.726 18.673 1.00 0.00 C ATOM 1189 CG ARG A 78 -3.096 -1.308 18.038 1.00 0.00 C ATOM 1190 CD ARG A 78 -4.279 -1.258 18.993 1.00 0.00 C ATOM 1191 NE ARG A 78 -5.427 -2.001 18.481 1.00 0.00 N ATOM 1192 CZ ARG A 78 -6.433 -2.416 19.242 1.00 0.00 C ATOM 1193 NH1 ARG A 78 -6.432 -2.162 20.544 1.00 0.00 N ATOM 1194 NH2 ARG A 78 -7.443 -3.086 18.702 1.00 0.00 N ATOM 0 H ARG A 78 -0.402 -2.347 17.090 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.055 0.541 17.126 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.438 -1.446 19.384 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.113 0.165 19.240 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.336 -0.754 17.130 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.909 -2.340 17.742 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -3.983 -1.668 19.959 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.565 -0.220 19.162 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.458 -2.213 17.484 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.657 -1.647 20.963 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.206 -2.482 21.127 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -7.447 -3.283 17.701 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.215 -3.404 19.288 1.00 0.00 H new ATOM 1208 N ARG A 79 1.193 -1.142 18.875 1.00 0.00 N ATOM 1209 CA ARG A 79 2.456 -1.011 19.591 1.00 0.00 C ATOM 1210 C ARG A 79 3.472 -0.228 18.763 1.00 0.00 C ATOM 1211 O ARG A 79 4.482 0.243 19.287 1.00 0.00 O ATOM 1212 CB ARG A 79 3.018 -2.392 19.934 1.00 0.00 C ATOM 1213 CG ARG A 79 3.660 -3.099 18.751 1.00 0.00 C ATOM 1214 CD ARG A 79 3.902 -4.571 19.047 1.00 0.00 C ATOM 1215 NE ARG A 79 5.105 -4.778 19.848 1.00 0.00 N ATOM 1216 CZ ARG A 79 5.735 -5.944 19.940 1.00 0.00 C ATOM 1217 NH1 ARG A 79 5.279 -7.002 19.284 1.00 0.00 N ATOM 1218 NH2 ARG A 79 6.825 -6.053 20.689 1.00 0.00 N ATOM 0 H ARG A 79 0.854 -2.100 18.788 1.00 0.00 H new ATOM 0 HA ARG A 79 2.266 -0.464 20.514 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.757 -2.287 20.729 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.214 -3.015 20.326 1.00 0.00 H new ATOM 0 HG2 ARG A 79 3.017 -3.003 17.876 1.00 0.00 H new ATOM 0 HG3 ARG A 79 4.606 -2.616 18.506 1.00 0.00 H new ATOM 0 HD2 ARG A 79 3.041 -4.981 19.574 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.992 -5.119 18.109 1.00 0.00 H new ATOM 0 HE ARG A 79 5.482 -3.984 20.365 1.00 0.00 H new ATOM 0 HH11 ARG A 79 4.442 -6.922 18.706 1.00 0.00 H new ATOM 0 HH12 ARG A 79 5.765 -7.896 19.357 1.00 0.00 H new ATOM 0 HH21 ARG A 79 7.180 -5.241 21.195 1.00 0.00 H new ATOM 0 HH22 ARG A 79 7.308 -6.949 20.759 1.00 0.00 H new ATOM 1232 N CYS A 80 3.197 -0.095 17.471 1.00 0.00 N ATOM 1233 CA CYS A 80 4.087 0.630 16.570 1.00 0.00 C ATOM 1234 C CYS A 80 4.260 2.075 17.024 1.00 0.00 C ATOM 1235 O CYS A 80 3.320 2.697 17.519 1.00 0.00 O ATOM 1236 CB CYS A 80 3.542 0.593 15.142 1.00 0.00 C ATOM 1237 SG CYS A 80 1.751 0.815 15.029 1.00 0.00 S ATOM 0 H CYS A 80 2.365 -0.479 17.023 1.00 0.00 H new ATOM 0 HA CYS A 80 5.062 0.142 16.591 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.031 1.372 14.558 1.00 0.00 H new ATOM 0 HB3 CYS A 80 3.808 -0.361 14.688 1.00 0.00 H new ATOM 0 HG CYS A 80 1.471 1.572 14.010 1.00 0.00 H new ATOM 1243 N GLN A 81 5.469 2.603 16.854 1.00 0.00 N ATOM 1244 CA GLN A 81 5.765 3.974 17.249 1.00 0.00 C ATOM 1245 C GLN A 81 4.616 4.907 16.882 1.00 0.00 C ATOM 1246 O GLN A 81 4.179 5.722 17.696 1.00 0.00 O ATOM 1247 CB GLN A 81 7.057 4.451 16.583 1.00 0.00 C ATOM 1248 CG GLN A 81 7.163 5.964 16.473 1.00 0.00 C ATOM 1249 CD GLN A 81 6.729 6.483 15.117 1.00 0.00 C ATOM 1250 OE1 GLN A 81 6.783 5.764 14.118 1.00 0.00 O ATOM 1251 NE2 GLN A 81 6.295 7.737 15.073 1.00 0.00 N ATOM 0 H GLN A 81 6.258 2.102 16.446 1.00 0.00 H new ATOM 0 HA GLN A 81 5.893 3.994 18.331 1.00 0.00 H new ATOM 0 HB2 GLN A 81 7.908 4.076 17.151 1.00 0.00 H new ATOM 0 HB3 GLN A 81 7.123 4.017 15.585 1.00 0.00 H new ATOM 0 HG2 GLN A 81 6.549 6.424 17.247 1.00 0.00 H new ATOM 0 HG3 GLN A 81 8.193 6.267 16.661 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.267 8.297 15.925 1.00 0.00 H new ATOM 0 HE22 GLN A 81 5.990 8.140 14.187 1.00 0.00 H new ATOM 1260 N THR A 82 4.129 4.783 15.651 1.00 0.00 N ATOM 1261 CA THR A 82 3.031 5.616 15.176 1.00 0.00 C ATOM 1262 C THR A 82 1.724 5.250 15.869 1.00 0.00 C ATOM 1263 O THR A 82 1.035 6.114 16.412 1.00 0.00 O ATOM 1264 CB THR A 82 2.845 5.484 13.653 1.00 0.00 C ATOM 1265 OG1 THR A 82 2.624 4.113 13.303 1.00 0.00 O ATOM 1266 CG2 THR A 82 4.064 6.012 12.911 1.00 0.00 C ATOM 0 H THR A 82 4.478 4.114 14.965 1.00 0.00 H new ATOM 0 HA THR A 82 3.290 6.647 15.416 1.00 0.00 H new ATOM 0 HB THR A 82 1.978 6.077 13.363 1.00 0.00 H new ATOM 0 HG1 THR A 82 3.227 3.861 12.573 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.909 5.908 11.837 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.212 7.064 13.156 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.945 5.443 13.207 1.00 0.00 H new ATOM 1274 N GLY A 83 1.388 3.964 15.849 1.00 0.00 N ATOM 1275 CA GLY A 83 0.163 3.507 16.480 1.00 0.00 C ATOM 1276 C GLY A 83 -0.896 3.110 15.471 1.00 0.00 C ATOM 1277 O GLY A 83 -0.733 3.332 14.272 1.00 0.00 O ATOM 0 H GLY A 83 1.942 3.230 15.407 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.385 2.655 17.123 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.228 4.297 17.121 1.00 0.00 H new ATOM 1281 N GLN A 84 -1.983 2.521 15.958 1.00 0.00 N ATOM 1282 CA GLN A 84 -3.072 2.089 15.089 1.00 0.00 C ATOM 1283 C GLN A 84 -3.454 3.193 14.108 1.00 0.00 C ATOM 1284 O GLN A 84 -3.624 4.349 14.493 1.00 0.00 O ATOM 1285 CB GLN A 84 -4.289 1.687 15.923 1.00 0.00 C ATOM 1286 CG GLN A 84 -5.166 0.640 15.254 1.00 0.00 C ATOM 1287 CD GLN A 84 -6.623 0.757 15.654 1.00 0.00 C ATOM 1288 OE1 GLN A 84 -7.056 1.788 16.171 1.00 0.00 O ATOM 1289 NE2 GLN A 84 -7.389 -0.301 15.417 1.00 0.00 N ATOM 0 H GLN A 84 -2.133 2.332 16.949 1.00 0.00 H new ATOM 0 HA GLN A 84 -2.730 1.224 14.520 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -3.949 1.303 16.885 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -4.888 2.574 16.127 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -5.081 0.738 14.172 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -4.801 -0.354 15.513 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -6.988 -1.135 14.987 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -8.378 -0.280 15.665 1.00 0.00 H new ATOM 1298 N GLY A 85 -3.589 2.827 12.836 1.00 0.00 N ATOM 1299 CA GLY A 85 -3.950 3.797 11.820 1.00 0.00 C ATOM 1300 C GLY A 85 -3.243 3.547 10.502 1.00 0.00 C ATOM 1301 O GLY A 85 -2.039 3.290 10.475 1.00 0.00 O ATOM 0 H GLY A 85 -3.455 1.876 12.492 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.028 3.768 11.662 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.706 4.798 12.175 1.00 0.00 H new ATOM 1305 N ILE A 86 -3.992 3.621 9.407 1.00 0.00 N ATOM 1306 CA ILE A 86 -3.430 3.400 8.081 1.00 0.00 C ATOM 1307 C ILE A 86 -2.968 4.711 7.454 1.00 0.00 C ATOM 1308 O ILE A 86 -3.644 5.734 7.561 1.00 0.00 O ATOM 1309 CB ILE A 86 -4.448 2.726 7.143 1.00 0.00 C ATOM 1310 CG1 ILE A 86 -4.836 1.347 7.681 1.00 0.00 C ATOM 1311 CG2 ILE A 86 -3.877 2.610 5.737 1.00 0.00 C ATOM 1312 CD1 ILE A 86 -6.042 0.747 6.992 1.00 0.00 C ATOM 0 H ILE A 86 -4.990 3.832 9.412 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.573 2.739 8.208 1.00 0.00 H new ATOM 0 HB ILE A 86 -5.345 3.344 7.101 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.989 0.670 7.568 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -5.040 1.427 8.749 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.608 2.132 5.086 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.646 3.604 5.355 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.967 2.011 5.762 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -6.259 -0.230 7.424 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -6.902 1.403 7.127 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.835 0.635 5.928 1.00 0.00 H new ATOM 1324 N PHE A 87 -1.812 4.672 6.799 1.00 0.00 N ATOM 1325 CA PHE A 87 -1.259 5.857 6.154 1.00 0.00 C ATOM 1326 C PHE A 87 -0.953 5.583 4.684 1.00 0.00 C ATOM 1327 O PHE A 87 -0.234 4.641 4.354 1.00 0.00 O ATOM 1328 CB PHE A 87 0.012 6.311 6.875 1.00 0.00 C ATOM 1329 CG PHE A 87 -0.106 6.283 8.372 1.00 0.00 C ATOM 1330 CD1 PHE A 87 -0.895 7.209 9.035 1.00 0.00 C ATOM 1331 CD2 PHE A 87 0.572 5.331 9.116 1.00 0.00 C ATOM 1332 CE1 PHE A 87 -1.006 7.186 10.413 1.00 0.00 C ATOM 1333 CE2 PHE A 87 0.465 5.303 10.494 1.00 0.00 C ATOM 1334 CZ PHE A 87 -0.324 6.233 11.143 1.00 0.00 C ATOM 0 H PHE A 87 -1.240 3.833 6.701 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.003 6.651 6.211 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.841 5.671 6.572 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.259 7.324 6.557 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -1.430 7.957 8.469 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.191 4.602 8.614 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.625 7.913 10.918 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.998 4.555 11.063 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.407 6.215 12.220 1.00 0.00 H new ATOM 1344 N ALA A 88 -1.507 6.414 3.806 1.00 0.00 N ATOM 1345 CA ALA A 88 -1.293 6.263 2.372 1.00 0.00 C ATOM 1346 C ALA A 88 -0.483 7.428 1.812 1.00 0.00 C ATOM 1347 O ALA A 88 -0.296 8.445 2.481 1.00 0.00 O ATOM 1348 CB ALA A 88 -2.626 6.148 1.649 1.00 0.00 C ATOM 0 H ALA A 88 -2.107 7.198 4.063 1.00 0.00 H new ATOM 0 HA ALA A 88 -0.724 5.348 2.209 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.451 6.036 0.579 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.168 5.279 2.021 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.216 7.047 1.828 1.00 0.00 H new ATOM 1354 N PHE A 89 -0.004 7.272 0.583 1.00 0.00 N ATOM 1355 CA PHE A 89 0.788 8.311 -0.066 1.00 0.00 C ATOM 1356 C PHE A 89 0.777 8.135 -1.582 1.00 0.00 C ATOM 1357 O PHE A 89 0.846 7.016 -2.090 1.00 0.00 O ATOM 1358 CB PHE A 89 2.227 8.283 0.452 1.00 0.00 C ATOM 1359 CG PHE A 89 2.325 8.175 1.947 1.00 0.00 C ATOM 1360 CD1 PHE A 89 2.133 6.958 2.581 1.00 0.00 C ATOM 1361 CD2 PHE A 89 2.608 9.291 2.718 1.00 0.00 C ATOM 1362 CE1 PHE A 89 2.221 6.857 3.956 1.00 0.00 C ATOM 1363 CE2 PHE A 89 2.698 9.195 4.094 1.00 0.00 C ATOM 1364 CZ PHE A 89 2.505 7.976 4.714 1.00 0.00 C ATOM 0 H PHE A 89 -0.150 6.437 0.016 1.00 0.00 H new ATOM 0 HA PHE A 89 0.342 9.276 0.173 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.751 7.441 -0.000 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.739 9.189 0.127 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.912 6.079 1.994 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.760 10.247 2.238 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.068 5.903 4.438 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.919 10.072 4.684 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.576 7.898 5.789 1.00 0.00 H new ATOM 1374 N LYS A 90 0.690 9.250 -2.300 1.00 0.00 N ATOM 1375 CA LYS A 90 0.671 9.222 -3.758 1.00 0.00 C ATOM 1376 C LYS A 90 2.085 9.310 -4.322 1.00 0.00 C ATOM 1377 O LYS A 90 2.829 10.243 -4.016 1.00 0.00 O ATOM 1378 CB LYS A 90 -0.179 10.374 -4.299 1.00 0.00 C ATOM 1379 CG LYS A 90 -1.643 10.016 -4.484 1.00 0.00 C ATOM 1380 CD LYS A 90 -2.390 11.096 -5.247 1.00 0.00 C ATOM 1381 CE LYS A 90 -3.847 10.719 -5.465 1.00 0.00 C ATOM 1382 NZ LYS A 90 -4.003 9.713 -6.552 1.00 0.00 N ATOM 0 H LYS A 90 0.632 10.185 -1.896 1.00 0.00 H new ATOM 0 HA LYS A 90 0.232 8.276 -4.073 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.104 11.221 -3.617 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.231 10.698 -5.256 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.722 9.070 -5.020 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.109 9.870 -3.509 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -2.335 12.036 -4.697 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.908 11.262 -6.211 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -4.261 10.320 -4.539 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -4.420 11.613 -5.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -5.010 9.482 -6.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.631 10.103 -7.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.477 8.851 -6.305 1.00 0.00 H new ATOM 1396 N CYS A 91 2.449 8.336 -5.148 1.00 0.00 N ATOM 1397 CA CYS A 91 3.775 8.304 -5.756 1.00 0.00 C ATOM 1398 C CYS A 91 3.694 7.858 -7.212 1.00 0.00 C ATOM 1399 O CYS A 91 2.607 7.642 -7.747 1.00 0.00 O ATOM 1400 CB CYS A 91 4.696 7.368 -4.973 1.00 0.00 C ATOM 1401 SG CYS A 91 3.972 5.750 -4.615 1.00 0.00 S ATOM 0 H CYS A 91 1.845 7.558 -5.412 1.00 0.00 H new ATOM 0 HA CYS A 91 4.186 9.313 -5.726 1.00 0.00 H new ATOM 0 HB2 CYS A 91 5.617 7.225 -5.538 1.00 0.00 H new ATOM 0 HB3 CYS A 91 4.970 7.848 -4.033 1.00 0.00 H new ATOM 0 HG CYS A 91 4.827 5.029 -3.952 1.00 0.00 H new ATOM 1407 N SER A 92 4.853 7.723 -7.849 1.00 0.00 N ATOM 1408 CA SER A 92 4.914 7.308 -9.246 1.00 0.00 C ATOM 1409 C SER A 92 5.642 5.975 -9.385 1.00 0.00 C ATOM 1410 O SER A 92 5.459 5.254 -10.366 1.00 0.00 O ATOM 1411 CB SER A 92 5.616 8.376 -10.087 1.00 0.00 C ATOM 1412 OG SER A 92 4.703 9.372 -10.512 1.00 0.00 O ATOM 0 H SER A 92 5.762 7.895 -7.420 1.00 0.00 H new ATOM 0 HA SER A 92 3.893 7.184 -9.608 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.415 8.835 -9.504 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.082 7.911 -10.956 1.00 0.00 H new ATOM 0 HG SER A 92 5.177 10.043 -11.046 1.00 0.00 H new ATOM 1418 N ARG A 93 6.469 5.653 -8.395 1.00 0.00 N ATOM 1419 CA ARG A 93 7.226 4.407 -8.406 1.00 0.00 C ATOM 1420 C ARG A 93 6.772 3.485 -7.279 1.00 0.00 C ATOM 1421 O ARG A 93 7.591 2.862 -6.605 1.00 0.00 O ATOM 1422 CB ARG A 93 8.723 4.695 -8.273 1.00 0.00 C ATOM 1423 CG ARG A 93 9.232 5.742 -9.250 1.00 0.00 C ATOM 1424 CD ARG A 93 10.389 6.535 -8.664 1.00 0.00 C ATOM 1425 NE ARG A 93 10.040 7.149 -7.386 1.00 0.00 N ATOM 1426 CZ ARG A 93 9.189 8.161 -7.265 1.00 0.00 C ATOM 1427 NH1 ARG A 93 8.602 8.670 -8.339 1.00 0.00 N ATOM 1428 NH2 ARG A 93 8.922 8.666 -6.067 1.00 0.00 N ATOM 0 H ARG A 93 6.632 6.238 -7.575 1.00 0.00 H new ATOM 0 HA ARG A 93 7.042 3.907 -9.357 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.931 5.028 -7.256 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.277 3.769 -8.425 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.552 5.256 -10.172 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.421 6.421 -9.513 1.00 0.00 H new ATOM 0 HD2 ARG A 93 11.247 5.877 -8.528 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.691 7.310 -9.368 1.00 0.00 H new ATOM 0 HE ARG A 93 10.474 6.780 -6.540 1.00 0.00 H new ATOM 0 HH11 ARG A 93 8.804 8.284 -9.261 1.00 0.00 H new ATOM 0 HH12 ARG A 93 7.949 9.447 -8.243 1.00 0.00 H new ATOM 0 HH21 ARG A 93 9.371 8.277 -5.238 1.00 0.00 H new ATOM 0 HH22 ARG A 93 8.268 9.443 -5.975 1.00 0.00 H new ATOM 1442 N ALA A 94 5.460 3.403 -7.081 1.00 0.00 N ATOM 1443 CA ALA A 94 4.897 2.556 -6.037 1.00 0.00 C ATOM 1444 C ALA A 94 5.385 1.118 -6.174 1.00 0.00 C ATOM 1445 O ALA A 94 6.068 0.598 -5.292 1.00 0.00 O ATOM 1446 CB ALA A 94 3.377 2.605 -6.080 1.00 0.00 C ATOM 0 H ALA A 94 4.768 3.913 -7.630 1.00 0.00 H new ATOM 0 HA ALA A 94 5.235 2.937 -5.073 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.970 1.968 -5.295 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.042 3.630 -5.925 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.029 2.252 -7.051 1.00 0.00 H new ATOM 1452 N GLU A 95 5.030 0.480 -7.285 1.00 0.00 N ATOM 1453 CA GLU A 95 5.432 -0.899 -7.536 1.00 0.00 C ATOM 1454 C GLU A 95 6.866 -1.140 -7.073 1.00 0.00 C ATOM 1455 O GLU A 95 7.129 -2.041 -6.278 1.00 0.00 O ATOM 1456 CB GLU A 95 5.302 -1.229 -9.024 1.00 0.00 C ATOM 1457 CG GLU A 95 5.268 -2.720 -9.316 1.00 0.00 C ATOM 1458 CD GLU A 95 4.467 -3.053 -10.559 1.00 0.00 C ATOM 1459 OE1 GLU A 95 3.670 -2.197 -10.997 1.00 0.00 O ATOM 1460 OE2 GLU A 95 4.636 -4.168 -11.094 1.00 0.00 O ATOM 0 H GLU A 95 4.465 0.896 -8.025 1.00 0.00 H new ATOM 0 HA GLU A 95 4.770 -1.553 -6.968 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.392 -0.771 -9.411 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.138 -0.781 -9.561 1.00 0.00 H new ATOM 0 HG2 GLU A 95 6.288 -3.086 -9.437 1.00 0.00 H new ATOM 0 HG3 GLU A 95 4.840 -3.244 -8.461 1.00 0.00 H new ATOM 1467 N GLU A 96 7.790 -0.328 -7.579 1.00 0.00 N ATOM 1468 CA GLU A 96 9.197 -0.454 -7.218 1.00 0.00 C ATOM 1469 C GLU A 96 9.356 -0.677 -5.717 1.00 0.00 C ATOM 1470 O GLU A 96 10.071 -1.582 -5.286 1.00 0.00 O ATOM 1471 CB GLU A 96 9.970 0.796 -7.645 1.00 0.00 C ATOM 1472 CG GLU A 96 10.407 0.774 -9.100 1.00 0.00 C ATOM 1473 CD GLU A 96 11.706 0.020 -9.308 1.00 0.00 C ATOM 1474 OE1 GLU A 96 11.809 -1.129 -8.830 1.00 0.00 O ATOM 1475 OE2 GLU A 96 12.620 0.580 -9.949 1.00 0.00 O ATOM 0 H GLU A 96 7.589 0.423 -8.239 1.00 0.00 H new ATOM 0 HA GLU A 96 9.604 -1.320 -7.741 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.347 1.674 -7.475 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.851 0.902 -7.011 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.624 0.315 -9.704 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.525 1.798 -9.456 1.00 0.00 H new ATOM 1482 N ILE A 97 8.687 0.156 -4.927 1.00 0.00 N ATOM 1483 CA ILE A 97 8.753 0.050 -3.475 1.00 0.00 C ATOM 1484 C ILE A 97 8.097 -1.237 -2.987 1.00 0.00 C ATOM 1485 O ILE A 97 8.518 -1.821 -1.988 1.00 0.00 O ATOM 1486 CB ILE A 97 8.073 1.251 -2.791 1.00 0.00 C ATOM 1487 CG1 ILE A 97 8.653 2.564 -3.323 1.00 0.00 C ATOM 1488 CG2 ILE A 97 8.240 1.165 -1.282 1.00 0.00 C ATOM 1489 CD1 ILE A 97 7.687 3.725 -3.246 1.00 0.00 C ATOM 0 H ILE A 97 8.093 0.912 -5.268 1.00 0.00 H new ATOM 0 HA ILE A 97 9.810 0.040 -3.207 1.00 0.00 H new ATOM 0 HB ILE A 97 7.008 1.226 -3.021 1.00 0.00 H new ATOM 0 HG12 ILE A 97 9.551 2.811 -2.757 1.00 0.00 H new ATOM 0 HG13 ILE A 97 8.958 2.424 -4.360 1.00 0.00 H new ATOM 0 HG21 ILE A 97 7.754 2.021 -0.813 1.00 0.00 H new ATOM 0 HG22 ILE A 97 7.785 0.244 -0.917 1.00 0.00 H new ATOM 0 HG23 ILE A 97 9.301 1.168 -1.033 1.00 0.00 H new ATOM 0 HD11 ILE A 97 8.164 4.622 -3.640 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.798 3.499 -3.835 1.00 0.00 H new ATOM 0 HD13 ILE A 97 7.401 3.892 -2.208 1.00 0.00 H new ATOM 1501 N PHE A 98 7.064 -1.675 -3.699 1.00 0.00 N ATOM 1502 CA PHE A 98 6.350 -2.894 -3.339 1.00 0.00 C ATOM 1503 C PHE A 98 7.166 -4.131 -3.704 1.00 0.00 C ATOM 1504 O PHE A 98 7.046 -5.176 -3.067 1.00 0.00 O ATOM 1505 CB PHE A 98 4.991 -2.940 -4.041 1.00 0.00 C ATOM 1506 CG PHE A 98 4.602 -4.315 -4.503 1.00 0.00 C ATOM 1507 CD1 PHE A 98 4.018 -5.216 -3.627 1.00 0.00 C ATOM 1508 CD2 PHE A 98 4.819 -4.707 -5.815 1.00 0.00 C ATOM 1509 CE1 PHE A 98 3.660 -6.482 -4.050 1.00 0.00 C ATOM 1510 CE2 PHE A 98 4.462 -5.972 -6.243 1.00 0.00 C ATOM 1511 CZ PHE A 98 3.881 -6.860 -5.360 1.00 0.00 C ATOM 0 H PHE A 98 6.703 -1.204 -4.528 1.00 0.00 H new ATOM 0 HA PHE A 98 6.194 -2.889 -2.260 1.00 0.00 H new ATOM 0 HB2 PHE A 98 4.227 -2.564 -3.361 1.00 0.00 H new ATOM 0 HB3 PHE A 98 5.012 -2.269 -4.900 1.00 0.00 H new ATOM 0 HD1 PHE A 98 3.841 -4.926 -2.602 1.00 0.00 H new ATOM 0 HD2 PHE A 98 5.272 -4.016 -6.511 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.208 -7.175 -3.357 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.637 -6.265 -7.267 1.00 0.00 H new ATOM 0 HZ PHE A 98 3.600 -7.848 -5.693 1.00 0.00 H new ATOM 1521 N ASN A 99 7.995 -4.002 -4.735 1.00 0.00 N ATOM 1522 CA ASN A 99 8.830 -5.109 -5.186 1.00 0.00 C ATOM 1523 C ASN A 99 10.099 -5.212 -4.344 1.00 0.00 C ATOM 1524 O ASN A 99 10.668 -6.293 -4.190 1.00 0.00 O ATOM 1525 CB ASN A 99 9.197 -4.930 -6.661 1.00 0.00 C ATOM 1526 CG ASN A 99 8.131 -5.474 -7.592 1.00 0.00 C ATOM 1527 OD1 ASN A 99 7.341 -6.339 -7.211 1.00 0.00 O ATOM 1528 ND2 ASN A 99 8.104 -4.969 -8.820 1.00 0.00 N ATOM 0 H ASN A 99 8.106 -3.143 -5.273 1.00 0.00 H new ATOM 0 HA ASN A 99 8.261 -6.031 -5.069 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.351 -3.871 -6.868 1.00 0.00 H new ATOM 0 HB3 ASN A 99 10.142 -5.434 -6.861 1.00 0.00 H new ATOM 0 HD21 ASN A 99 7.409 -5.297 -9.491 1.00 0.00 H new ATOM 0 HD22 ASN A 99 8.778 -4.254 -9.092 1.00 0.00 H new ATOM 1535 N LEU A 100 10.535 -4.081 -3.802 1.00 0.00 N ATOM 1536 CA LEU A 100 11.736 -4.043 -2.974 1.00 0.00 C ATOM 1537 C LEU A 100 11.401 -4.331 -1.514 1.00 0.00 C ATOM 1538 O LEU A 100 12.120 -5.063 -0.834 1.00 0.00 O ATOM 1539 CB LEU A 100 12.418 -2.679 -3.093 1.00 0.00 C ATOM 1540 CG LEU A 100 13.699 -2.495 -2.278 1.00 0.00 C ATOM 1541 CD1 LEU A 100 14.763 -3.484 -2.727 1.00 0.00 C ATOM 1542 CD2 LEU A 100 14.209 -1.067 -2.401 1.00 0.00 C ATOM 0 H LEU A 100 10.076 -3.178 -3.920 1.00 0.00 H new ATOM 0 HA LEU A 100 12.417 -4.816 -3.330 1.00 0.00 H new ATOM 0 HB2 LEU A 100 12.651 -2.502 -4.143 1.00 0.00 H new ATOM 0 HB3 LEU A 100 11.706 -1.911 -2.791 1.00 0.00 H new ATOM 0 HG LEU A 100 13.471 -2.689 -1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 100 15.667 -3.339 -2.136 1.00 0.00 H new ATOM 0 HD12 LEU A 100 14.397 -4.501 -2.586 1.00 0.00 H new ATOM 0 HD13 LEU A 100 14.988 -3.322 -3.781 1.00 0.00 H new ATOM 0 HD21 LEU A 100 15.121 -0.955 -1.815 1.00 0.00 H new ATOM 0 HD22 LEU A 100 14.420 -0.845 -3.447 1.00 0.00 H new ATOM 0 HD23 LEU A 100 13.451 -0.377 -2.030 1.00 0.00 H new ATOM 1554 N LEU A 101 10.303 -3.752 -1.040 1.00 0.00 N ATOM 1555 CA LEU A 101 9.870 -3.948 0.339 1.00 0.00 C ATOM 1556 C LEU A 101 9.941 -5.422 0.728 1.00 0.00 C ATOM 1557 O LEU A 101 10.695 -5.802 1.623 1.00 0.00 O ATOM 1558 CB LEU A 101 8.444 -3.428 0.526 1.00 0.00 C ATOM 1559 CG LEU A 101 8.314 -1.967 0.960 1.00 0.00 C ATOM 1560 CD1 LEU A 101 6.858 -1.531 0.937 1.00 0.00 C ATOM 1561 CD2 LEU A 101 8.910 -1.768 2.346 1.00 0.00 C ATOM 0 H LEU A 101 9.697 -3.143 -1.590 1.00 0.00 H new ATOM 0 HA LEU A 101 10.543 -3.387 0.988 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.906 -3.557 -0.413 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.945 -4.052 1.267 1.00 0.00 H new ATOM 0 HG LEU A 101 8.868 -1.348 0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.785 -0.489 1.249 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.463 -1.636 -0.073 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.281 -2.155 1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.809 -0.723 2.639 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.383 -2.398 3.063 1.00 0.00 H new ATOM 0 HD23 LEU A 101 9.965 -2.040 2.331 1.00 0.00 H new ATOM 1573 N GLN A 102 9.151 -6.246 0.047 1.00 0.00 N ATOM 1574 CA GLN A 102 9.125 -7.678 0.321 1.00 0.00 C ATOM 1575 C GLN A 102 10.528 -8.272 0.243 1.00 0.00 C ATOM 1576 O GLN A 102 10.823 -9.279 0.888 1.00 0.00 O ATOM 1577 CB GLN A 102 8.201 -8.391 -0.667 1.00 0.00 C ATOM 1578 CG GLN A 102 8.618 -8.224 -2.120 1.00 0.00 C ATOM 1579 CD GLN A 102 7.604 -8.800 -3.088 1.00 0.00 C ATOM 1580 OE1 GLN A 102 6.651 -8.126 -3.481 1.00 0.00 O ATOM 1581 NE2 GLN A 102 7.803 -10.053 -3.479 1.00 0.00 N ATOM 0 H GLN A 102 8.521 -5.947 -0.698 1.00 0.00 H new ATOM 0 HA GLN A 102 8.744 -7.822 1.332 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.175 -9.453 -0.425 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.187 -8.011 -0.543 1.00 0.00 H new ATOM 0 HG2 GLN A 102 8.758 -7.164 -2.334 1.00 0.00 H new ATOM 0 HG3 GLN A 102 9.581 -8.711 -2.276 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.606 -10.575 -3.128 1.00 0.00 H new ATOM 0 HE22 GLN A 102 7.153 -10.493 -4.130 1.00 0.00 H new ATOM 1590 N ASP A 103 11.388 -7.644 -0.551 1.00 0.00 N ATOM 1591 CA ASP A 103 12.760 -8.110 -0.713 1.00 0.00 C ATOM 1592 C ASP A 103 13.618 -7.699 0.480 1.00 0.00 C ATOM 1593 O ASP A 103 14.528 -8.425 0.884 1.00 0.00 O ATOM 1594 CB ASP A 103 13.361 -7.554 -2.005 1.00 0.00 C ATOM 1595 CG ASP A 103 13.097 -8.451 -3.199 1.00 0.00 C ATOM 1596 OD1 ASP A 103 11.976 -8.991 -3.298 1.00 0.00 O ATOM 1597 OD2 ASP A 103 14.012 -8.612 -4.033 1.00 0.00 O ATOM 0 H ASP A 103 11.159 -6.811 -1.093 1.00 0.00 H new ATOM 0 HA ASP A 103 12.744 -9.198 -0.768 1.00 0.00 H new ATOM 0 HB2 ASP A 103 12.947 -6.565 -2.199 1.00 0.00 H new ATOM 0 HB3 ASP A 103 14.436 -7.430 -1.878 1.00 0.00 H new ATOM 1602 N LEU A 104 13.323 -6.531 1.039 1.00 0.00 N ATOM 1603 CA LEU A 104 14.068 -6.022 2.186 1.00 0.00 C ATOM 1604 C LEU A 104 13.633 -6.718 3.471 1.00 0.00 C ATOM 1605 O LEU A 104 14.431 -6.904 4.389 1.00 0.00 O ATOM 1606 CB LEU A 104 13.869 -4.511 2.318 1.00 0.00 C ATOM 1607 CG LEU A 104 14.312 -3.668 1.122 1.00 0.00 C ATOM 1608 CD1 LEU A 104 13.794 -2.244 1.252 1.00 0.00 C ATOM 1609 CD2 LEU A 104 15.828 -3.676 0.996 1.00 0.00 C ATOM 0 H LEU A 104 12.574 -5.918 0.717 1.00 0.00 H new ATOM 0 HA LEU A 104 15.125 -6.230 2.023 1.00 0.00 H new ATOM 0 HB2 LEU A 104 12.812 -4.319 2.501 1.00 0.00 H new ATOM 0 HB3 LEU A 104 14.412 -4.169 3.199 1.00 0.00 H new ATOM 0 HG LEU A 104 13.890 -4.106 0.217 1.00 0.00 H new ATOM 0 HD11 LEU A 104 14.119 -1.659 0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 104 12.705 -2.255 1.293 1.00 0.00 H new ATOM 0 HD13 LEU A 104 14.186 -1.796 2.165 1.00 0.00 H new ATOM 0 HD21 LEU A 104 16.125 -3.071 0.139 1.00 0.00 H new ATOM 0 HD22 LEU A 104 16.271 -3.264 1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 104 16.176 -4.699 0.856 1.00 0.00 H new ATOM 1621 N MET A 105 12.362 -7.104 3.527 1.00 0.00 N ATOM 1622 CA MET A 105 11.822 -7.784 4.699 1.00 0.00 C ATOM 1623 C MET A 105 12.550 -9.101 4.947 1.00 0.00 C ATOM 1624 O MET A 105 12.709 -9.526 6.091 1.00 0.00 O ATOM 1625 CB MET A 105 10.324 -8.041 4.521 1.00 0.00 C ATOM 1626 CG MET A 105 9.492 -6.770 4.468 1.00 0.00 C ATOM 1627 SD MET A 105 7.789 -7.076 3.960 1.00 0.00 S ATOM 1628 CE MET A 105 6.901 -6.569 5.430 1.00 0.00 C ATOM 0 H MET A 105 11.688 -6.958 2.776 1.00 0.00 H new ATOM 0 HA MET A 105 11.972 -7.138 5.564 1.00 0.00 H new ATOM 0 HB2 MET A 105 10.167 -8.607 3.603 1.00 0.00 H new ATOM 0 HB3 MET A 105 9.970 -8.663 5.343 1.00 0.00 H new ATOM 0 HG2 MET A 105 9.495 -6.297 5.450 1.00 0.00 H new ATOM 0 HG3 MET A 105 9.953 -6.067 3.774 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.926 -7.055 5.452 1.00 0.00 H new ATOM 0 HE2 MET A 105 7.469 -6.855 6.315 1.00 0.00 H new ATOM 0 HE3 MET A 105 6.767 -5.487 5.419 1.00 0.00 H new ATOM 2275 N PHE B 2 -2.370 11.184 7.274 1.00 0.00 N ATOM 2276 CA PHE B 2 -3.827 11.116 7.266 1.00 0.00 C ATOM 2277 C PHE B 2 -4.309 9.739 7.714 1.00 0.00 C ATOM 2278 O PHE B 2 -3.826 8.714 7.233 1.00 0.00 O ATOM 2279 CB PHE B 2 -4.366 11.428 5.868 1.00 0.00 C ATOM 2280 CG PHE B 2 -5.865 11.407 5.786 1.00 0.00 C ATOM 2281 CD1 PHE B 2 -6.544 10.217 5.574 1.00 0.00 C ATOM 2282 CD2 PHE B 2 -6.596 12.576 5.920 1.00 0.00 C ATOM 2283 CE1 PHE B 2 -7.924 10.195 5.497 1.00 0.00 C ATOM 2284 CE2 PHE B 2 -7.976 12.560 5.845 1.00 0.00 C ATOM 2285 CZ PHE B 2 -8.641 11.368 5.634 1.00 0.00 C ATOM 0 HA PHE B 2 -4.205 11.860 7.967 1.00 0.00 H new ATOM 0 HB2 PHE B 2 -4.007 12.410 5.559 1.00 0.00 H new ATOM 0 HB3 PHE B 2 -3.961 10.704 5.161 1.00 0.00 H new ATOM 0 HD1 PHE B 2 -5.989 9.297 5.468 1.00 0.00 H new ATOM 0 HD2 PHE B 2 -6.081 13.511 6.085 1.00 0.00 H new ATOM 0 HE1 PHE B 2 -8.441 9.262 5.330 1.00 0.00 H new ATOM 0 HE2 PHE B 2 -8.534 13.479 5.951 1.00 0.00 H new ATOM 0 HZ PHE B 2 -9.719 11.353 5.576 1.00 0.00 H new ATOM 2295 N ARG B 3 -5.264 9.725 8.638 1.00 0.00 N ATOM 2296 CA ARG B 3 -5.811 8.475 9.153 1.00 0.00 C ATOM 2297 C ARG B 3 -6.930 7.960 8.253 1.00 0.00 C ATOM 2298 O ARG B 3 -8.030 8.514 8.235 1.00 0.00 O ATOM 2299 CB ARG B 3 -6.335 8.671 10.577 1.00 0.00 C ATOM 2300 CG ARG B 3 -5.275 8.476 11.648 1.00 0.00 C ATOM 2301 CD ARG B 3 -4.437 9.731 11.838 1.00 0.00 C ATOM 2302 NE ARG B 3 -5.170 10.776 12.548 1.00 0.00 N ATOM 2303 CZ ARG B 3 -4.582 11.782 13.186 1.00 0.00 C ATOM 2304 NH1 ARG B 3 -3.259 11.879 13.201 1.00 0.00 N ATOM 2305 NH2 ARG B 3 -5.316 12.694 13.809 1.00 0.00 N ATOM 0 H ARG B 3 -5.675 10.565 9.045 1.00 0.00 H new ATOM 0 HA ARG B 3 -5.010 7.735 9.167 1.00 0.00 H new ATOM 0 HB2 ARG B 3 -6.750 9.675 10.667 1.00 0.00 H new ATOM 0 HB3 ARG B 3 -7.152 7.971 10.754 1.00 0.00 H new ATOM 0 HG2 ARG B 3 -5.753 8.211 12.591 1.00 0.00 H new ATOM 0 HG3 ARG B 3 -4.628 7.643 11.373 1.00 0.00 H new ATOM 0 HD2 ARG B 3 -3.532 9.482 12.392 1.00 0.00 H new ATOM 0 HD3 ARG B 3 -4.121 10.107 10.865 1.00 0.00 H new ATOM 0 HE ARG B 3 -6.189 10.731 12.554 1.00 0.00 H new ATOM 0 HH11 ARG B 3 -2.691 11.180 12.722 1.00 0.00 H new ATOM 0 HH12 ARG B 3 -2.810 12.652 13.692 1.00 0.00 H new ATOM 0 HH21 ARG B 3 -6.334 12.624 13.799 1.00 0.00 H new ATOM 0 HH22 ARG B 3 -4.863 13.466 14.298 1.00 0.00 H new ATOM 2319 N LEU B 4 -6.643 6.898 7.509 1.00 0.00 N ATOM 2320 CA LEU B 4 -7.625 6.308 6.606 1.00 0.00 C ATOM 2321 C LEU B 4 -8.602 5.420 7.370 1.00 0.00 C ATOM 2322 O LEU B 4 -8.523 5.302 8.593 1.00 0.00 O ATOM 2323 CB LEU B 4 -6.923 5.495 5.517 1.00 0.00 C ATOM 2324 CG LEU B 4 -6.410 6.287 4.314 1.00 0.00 C ATOM 2325 CD1 LEU B 4 -5.375 5.480 3.546 1.00 0.00 C ATOM 2326 CD2 LEU B 4 -7.564 6.682 3.404 1.00 0.00 C ATOM 0 H LEU B 4 -5.738 6.427 7.513 1.00 0.00 H new ATOM 0 HA LEU B 4 -8.186 7.118 6.140 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -6.080 4.972 5.969 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -7.615 4.734 5.157 1.00 0.00 H new ATOM 0 HG LEU B 4 -5.934 7.197 4.679 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -5.021 6.060 2.693 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -4.535 5.248 4.201 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -5.826 4.553 3.192 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -7.180 7.245 2.553 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -8.070 5.785 3.047 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -8.270 7.300 3.959 1.00 0.00 H new ATOM 2338 N ARG B 5 -9.521 4.796 6.640 1.00 0.00 N ATOM 2339 CA ARG B 5 -10.512 3.917 7.249 1.00 0.00 C ATOM 2340 C ARG B 5 -10.492 2.539 6.594 1.00 0.00 C ATOM 2341 O ARG B 5 -10.666 1.520 7.263 1.00 0.00 O ATOM 2342 CB ARG B 5 -11.909 4.530 7.130 1.00 0.00 C ATOM 2343 CG ARG B 5 -12.939 3.879 8.040 1.00 0.00 C ATOM 2344 CD ARG B 5 -14.295 4.555 7.919 1.00 0.00 C ATOM 2345 NE ARG B 5 -14.320 5.855 8.586 1.00 0.00 N ATOM 2346 CZ ARG B 5 -15.439 6.500 8.896 1.00 0.00 C ATOM 2347 NH1 ARG B 5 -16.618 5.970 8.602 1.00 0.00 N ATOM 2348 NH2 ARG B 5 -15.379 7.679 9.503 1.00 0.00 N ATOM 0 H ARG B 5 -9.600 4.883 5.627 1.00 0.00 H new ATOM 0 HA ARG B 5 -10.261 3.802 8.304 1.00 0.00 H new ATOM 0 HB2 ARG B 5 -11.851 5.593 7.363 1.00 0.00 H new ATOM 0 HB3 ARG B 5 -12.246 4.448 6.097 1.00 0.00 H new ATOM 0 HG2 ARG B 5 -13.034 2.823 7.787 1.00 0.00 H new ATOM 0 HG3 ARG B 5 -12.597 3.930 9.074 1.00 0.00 H new ATOM 0 HD2 ARG B 5 -14.543 4.683 6.865 1.00 0.00 H new ATOM 0 HD3 ARG B 5 -15.061 3.911 8.351 1.00 0.00 H new ATOM 0 HE ARG B 5 -13.430 6.291 8.827 1.00 0.00 H new ATOM 0 HH11 ARG B 5 -16.668 5.064 8.136 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -17.475 6.468 8.842 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -14.474 8.090 9.731 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -16.238 8.174 9.741 1.00 0.00 H new ATOM 2362 N HIS B 6 -10.280 2.516 5.282 1.00 0.00 N ATOM 2363 CA HIS B 6 -10.237 1.263 4.536 1.00 0.00 C ATOM 2364 C HIS B 6 -9.012 1.213 3.628 1.00 0.00 C ATOM 2365 O HIS B 6 -8.651 2.208 3.000 1.00 0.00 O ATOM 2366 CB HIS B 6 -11.510 1.096 3.705 1.00 0.00 C ATOM 2367 CG HIS B 6 -11.674 2.141 2.645 1.00 0.00 C ATOM 2368 ND1 HIS B 6 -11.695 1.849 1.298 1.00 0.00 N ATOM 2369 CD2 HIS B 6 -11.828 3.482 2.741 1.00 0.00 C ATOM 2370 CE1 HIS B 6 -11.853 2.966 0.610 1.00 0.00 C ATOM 2371 NE2 HIS B 6 -11.937 3.972 1.462 1.00 0.00 N ATOM 0 H HIS B 6 -10.135 3.350 4.713 1.00 0.00 H new ATOM 0 HA HIS B 6 -10.170 0.444 5.252 1.00 0.00 H new ATOM 0 HB2 HIS B 6 -11.501 0.112 3.236 1.00 0.00 H new ATOM 0 HB3 HIS B 6 -12.374 1.125 4.369 1.00 0.00 H new ATOM 0 HD2 HIS B 6 -11.859 4.060 3.653 1.00 0.00 H new ATOM 0 HE1 HIS B 6 -11.905 3.043 -0.466 1.00 0.00 H new ATOM 0 HE2 HIS B 6 -12.062 4.953 1.211 1.00 0.00 H new ATOM 2380 N PHE B 7 -8.376 0.048 3.564 1.00 0.00 N ATOM 2381 CA PHE B 7 -7.191 -0.132 2.734 1.00 0.00 C ATOM 2382 C PHE B 7 -7.539 -0.006 1.254 1.00 0.00 C ATOM 2383 O PHE B 7 -8.250 -0.834 0.685 1.00 0.00 O ATOM 2384 CB PHE B 7 -6.554 -1.496 3.006 1.00 0.00 C ATOM 2385 CG PHE B 7 -5.068 -1.518 2.790 1.00 0.00 C ATOM 2386 CD1 PHE B 7 -4.263 -0.525 3.322 1.00 0.00 C ATOM 2387 CD2 PHE B 7 -4.476 -2.532 2.053 1.00 0.00 C ATOM 2388 CE1 PHE B 7 -2.894 -0.542 3.126 1.00 0.00 C ATOM 2389 CE2 PHE B 7 -3.109 -2.554 1.854 1.00 0.00 C ATOM 2390 CZ PHE B 7 -2.317 -1.558 2.389 1.00 0.00 C ATOM 0 H PHE B 7 -8.662 -0.786 4.077 1.00 0.00 H new ATOM 0 HA PHE B 7 -6.477 0.651 2.989 1.00 0.00 H new ATOM 0 HB2 PHE B 7 -6.768 -1.789 4.034 1.00 0.00 H new ATOM 0 HB3 PHE B 7 -7.018 -2.240 2.359 1.00 0.00 H new ATOM 0 HD1 PHE B 7 -4.710 0.273 3.897 1.00 0.00 H new ATOM 0 HD2 PHE B 7 -5.090 -3.313 1.630 1.00 0.00 H new ATOM 0 HE1 PHE B 7 -2.277 0.238 3.548 1.00 0.00 H new ATOM 0 HE2 PHE B 7 -2.660 -3.351 1.280 1.00 0.00 H new ATOM 0 HZ PHE B 7 -1.249 -1.573 2.232 1.00 0.00 H new ATOM 2400 N PRO B 8 -7.026 1.056 0.614 1.00 0.00 N ATOM 2401 CA PRO B 8 -7.269 1.317 -0.807 1.00 0.00 C ATOM 2402 C PRO B 8 -6.564 0.310 -1.710 1.00 0.00 C ATOM 2403 O PRO B 8 -7.170 -0.247 -2.627 1.00 0.00 O ATOM 2404 CB PRO B 8 -6.689 2.718 -1.015 1.00 0.00 C ATOM 2405 CG PRO B 8 -5.658 2.863 0.051 1.00 0.00 C ATOM 2406 CD PRO B 8 -6.170 2.083 1.230 1.00 0.00 C ATOM 0 HA PRO B 8 -8.326 1.236 -1.061 1.00 0.00 H new ATOM 0 HB2 PRO B 8 -6.250 2.821 -2.007 1.00 0.00 H new ATOM 0 HB3 PRO B 8 -7.460 3.483 -0.927 1.00 0.00 H new ATOM 0 HG2 PRO B 8 -4.694 2.478 -0.283 1.00 0.00 H new ATOM 0 HG3 PRO B 8 -5.510 3.911 0.311 1.00 0.00 H new ATOM 0 HD2 PRO B 8 -5.356 1.637 1.801 1.00 0.00 H new ATOM 0 HD3 PRO B 8 -6.732 2.716 1.917 1.00 0.00 H new ATOM 2414 N CYS B 9 -5.283 0.080 -1.445 1.00 0.00 N ATOM 2415 CA CYS B 9 -4.496 -0.861 -2.234 1.00 0.00 C ATOM 2416 C CYS B 9 -4.996 -2.288 -2.036 1.00 0.00 C ATOM 2417 O CYS B 9 -4.620 -2.962 -1.078 1.00 0.00 O ATOM 2418 CB CYS B 9 -3.018 -0.768 -1.851 1.00 0.00 C ATOM 2419 SG CYS B 9 -2.248 0.817 -2.255 1.00 0.00 S ATOM 0 H CYS B 9 -4.767 0.532 -0.690 1.00 0.00 H new ATOM 0 HA CYS B 9 -4.609 -0.599 -3.286 1.00 0.00 H new ATOM 0 HB2 CYS B 9 -2.920 -0.945 -0.780 1.00 0.00 H new ATOM 0 HB3 CYS B 9 -2.472 -1.564 -2.357 1.00 0.00 H new ATOM 0 HG CYS B 9 -2.189 1.555 -1.187 1.00 0.00 H new ATOM 2425 N GLY B 10 -5.848 -2.743 -2.950 1.00 0.00 N ATOM 2426 CA GLY B 10 -6.388 -4.087 -2.858 1.00 0.00 C ATOM 2427 C GLY B 10 -5.305 -5.147 -2.841 1.00 0.00 C ATOM 2428 O GLY B 10 -5.186 -5.907 -1.881 1.00 0.00 O ATOM 0 H GLY B 10 -6.174 -2.205 -3.753 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -6.990 -4.172 -1.953 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -7.054 -4.266 -3.702 1.00 0.00 H new ATOM 2432 N ASN B 11 -4.513 -5.199 -3.907 1.00 0.00 N ATOM 2433 CA ASN B 11 -3.435 -6.176 -4.012 1.00 0.00 C ATOM 2434 C ASN B 11 -2.427 -5.996 -2.881 1.00 0.00 C ATOM 2435 O ASN B 11 -1.729 -4.984 -2.811 1.00 0.00 O ATOM 2436 CB ASN B 11 -2.731 -6.046 -5.364 1.00 0.00 C ATOM 2437 CG ASN B 11 -2.572 -4.601 -5.797 1.00 0.00 C ATOM 2438 OD1 ASN B 11 -2.661 -4.361 -7.100 1.00 0.00 O flip ATOM 2439 ND2 ASN B 11 -2.373 -3.712 -4.969 1.00 0.00 N flip ATOM 0 H ASN B 11 -4.597 -4.576 -4.710 1.00 0.00 H new ATOM 0 HA ASN B 11 -3.871 -7.172 -3.932 1.00 0.00 H new ATOM 0 HB2 ASN B 11 -1.749 -6.515 -5.306 1.00 0.00 H new ATOM 0 HB3 ASN B 11 -3.299 -6.588 -6.120 1.00 0.00 H new ATOM 0 HD21 ASN B 11 -2.312 -3.943 -3.977 1.00 0.00 H new ATOM 0 HD22 ASN B 11 -2.269 -2.744 -5.275 1.00 0.00 H new ATOM 2446 N VAL B 12 -2.355 -6.987 -1.997 1.00 0.00 N ATOM 2447 CA VAL B 12 -1.431 -6.940 -0.870 1.00 0.00 C ATOM 2448 C VAL B 12 -0.728 -8.279 -0.679 1.00 0.00 C ATOM 2449 O VAL B 12 -1.315 -9.337 -0.905 1.00 0.00 O ATOM 2450 CB VAL B 12 -2.156 -6.562 0.435 1.00 0.00 C ATOM 2451 CG1 VAL B 12 -3.155 -7.641 0.822 1.00 0.00 C ATOM 2452 CG2 VAL B 12 -1.152 -6.327 1.553 1.00 0.00 C ATOM 0 H VAL B 12 -2.925 -7.832 -2.040 1.00 0.00 H new ATOM 0 HA VAL B 12 -0.690 -6.174 -1.100 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.705 -5.635 0.270 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.658 -7.357 1.746 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.893 -7.755 0.028 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.631 -8.586 0.969 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -1.682 -6.061 2.468 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.574 -7.236 1.720 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -0.480 -5.516 1.274 1.00 0.00 H new ATOM 2462 N ASN B 13 0.532 -8.226 -0.260 1.00 0.00 N ATOM 2463 CA ASN B 13 1.315 -9.436 -0.039 1.00 0.00 C ATOM 2464 C ASN B 13 1.815 -9.504 1.401 1.00 0.00 C ATOM 2465 O ASN B 13 2.949 -9.123 1.694 1.00 0.00 O ATOM 2466 CB ASN B 13 2.500 -9.486 -1.005 1.00 0.00 C ATOM 2467 CG ASN B 13 3.198 -8.145 -1.134 1.00 0.00 C ATOM 2468 OD1 ASN B 13 2.665 -7.114 -0.724 1.00 0.00 O ATOM 2469 ND2 ASN B 13 4.396 -8.154 -1.707 1.00 0.00 N ATOM 0 H ASN B 13 1.032 -7.358 -0.067 1.00 0.00 H new ATOM 0 HA ASN B 13 0.670 -10.295 -0.222 1.00 0.00 H new ATOM 0 HB2 ASN B 13 3.215 -10.233 -0.660 1.00 0.00 H new ATOM 0 HB3 ASN B 13 2.152 -9.807 -1.987 1.00 0.00 H new ATOM 0 HD21 ASN B 13 4.913 -7.282 -1.822 1.00 0.00 H new ATOM 0 HD22 ASN B 13 4.799 -9.033 -2.032 1.00 0.00 H new ATOM 2476 N TYR B 14 0.963 -9.992 2.295 1.00 0.00 N ATOM 2477 CA TYR B 14 1.317 -10.108 3.705 1.00 0.00 C ATOM 2478 C TYR B 14 2.721 -10.682 3.868 1.00 0.00 C ATOM 2479 O TYR B 14 3.030 -11.755 3.351 1.00 0.00 O ATOM 2480 CB TYR B 14 0.304 -10.992 4.435 1.00 0.00 C ATOM 2481 CG TYR B 14 -1.132 -10.566 4.228 1.00 0.00 C ATOM 2482 CD1 TYR B 14 -1.633 -9.423 4.838 1.00 0.00 C ATOM 2483 CD2 TYR B 14 -1.986 -11.307 3.420 1.00 0.00 C ATOM 2484 CE1 TYR B 14 -2.945 -9.032 4.652 1.00 0.00 C ATOM 2485 CE2 TYR B 14 -3.299 -10.922 3.227 1.00 0.00 C ATOM 2486 CZ TYR B 14 -3.774 -9.784 3.845 1.00 0.00 C ATOM 2487 OH TYR B 14 -5.080 -9.396 3.656 1.00 0.00 O ATOM 0 H TYR B 14 0.022 -10.314 2.069 1.00 0.00 H new ATOM 0 HA TYR B 14 1.299 -9.110 4.142 1.00 0.00 H new ATOM 0 HB2 TYR B 14 0.421 -12.021 4.095 1.00 0.00 H new ATOM 0 HB3 TYR B 14 0.527 -10.981 5.502 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -0.986 -8.830 5.468 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -1.617 -12.199 2.935 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -3.320 -8.142 5.136 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -3.950 -11.509 2.596 1.00 0.00 H new ATOM 0 HH TYR B 14 -5.527 -10.033 3.060 1.00 0.00 H new ATOM 2497 N GLY B 15 3.569 -9.958 4.593 1.00 0.00 N ATOM 2498 CA GLY B 15 4.930 -10.410 4.813 1.00 0.00 C ATOM 2499 C GLY B 15 5.106 -11.088 6.157 1.00 0.00 C ATOM 2500 O GLY B 15 4.127 -11.460 6.805 1.00 0.00 O ATOM 0 H GLY B 15 3.337 -9.067 5.032 1.00 0.00 H new ATOM 0 HA2 GLY B 15 5.212 -11.103 4.020 1.00 0.00 H new ATOM 0 HA3 GLY B 15 5.607 -9.558 4.748 1.00 0.00 H new