USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 552 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 60 CYS SG : rot 120:sc= 0.104 USER MOD Set 1.2: A 65 CYS SG : rot 149:sc= -1.38 USER MOD Set 1.3: A 81 HIS : no HE2:sc= -3.22! C(o=-8.5!,f=-11!) USER MOD Set 1.4: A 85 HIS : no HD1:sc= -4.01! C(o=-8.5!,f=-12!) USER MOD Set 2.1: A 16 CYS SG : rot -123:sc= -2.8 USER MOD Set 2.2: A 31 CYS SG : rot -6:sc= 0.742 USER MOD Set 2.3: A 44 HIS : no HD1:sc= -2.51! C(o=-13!,f=-14!) USER MOD Set 2.4: A 49 HIS : no HE2:sc= -8.54! C(o=-13!,f=-17!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 35:sc= 0.111 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.119 USER MOD Single : A 38 MET CE :methyl -160:sc= -4.55! (180deg=-7.31!) USER MOD Single : A 39 HIS : no HD1:sc= -1 K(o=-1,f=-0.22) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 89:sc= 1.23 USER MOD Single : A 47 MET CE :methyl 164:sc= -0.043 (180deg=-0.344) USER MOD Single : A 55 GLN : amide:sc= 0.517 X(o=0.52,f=0.79) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 58 HIS : no HD1:sc= -3.35! C(o=-3.3!,f=-4.3!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -75:sc= 0.166 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 166:sc=-0.00225 (180deg=-0.0239) USER MOD Single : A 80 ASN : amide:sc= -0.35 K(o=-0.35,f=-2.9!) USER MOD Single : A 86 THR OG1 : rot -29:sc= 0.746 USER MOD ----------------------------------------------------------------- ATOM 155 N GLU A 13 -13.934 8.829 0.549 1.00 0.00 N ATOM 156 CA GLU A 13 -13.415 7.578 1.091 1.00 0.00 C ATOM 157 C GLU A 13 -12.388 6.961 0.146 1.00 0.00 C ATOM 158 O GLU A 13 -12.731 6.479 -0.934 1.00 0.00 O ATOM 159 CB GLU A 13 -14.557 6.590 1.336 1.00 0.00 C ATOM 160 CG GLU A 13 -15.696 6.715 0.338 1.00 0.00 C ATOM 161 CD GLU A 13 -16.351 5.383 0.030 1.00 0.00 C ATOM 162 OE1 GLU A 13 -17.310 5.015 0.739 1.00 0.00 O ATOM 163 OE2 GLU A 13 -15.903 4.708 -0.921 1.00 0.00 O ATOM 0 HA GLU A 13 -12.925 7.798 2.039 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.162 5.575 1.298 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -14.948 6.742 2.342 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -16.445 7.402 0.732 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.318 7.152 -0.586 1.00 0.00 H new ATOM 170 N LEU A 14 -11.126 6.981 0.560 1.00 0.00 N ATOM 171 CA LEU A 14 -10.046 6.424 -0.248 1.00 0.00 C ATOM 172 C LEU A 14 -10.189 4.911 -0.378 1.00 0.00 C ATOM 173 O LEU A 14 -10.106 4.362 -1.477 1.00 0.00 O ATOM 174 CB LEU A 14 -8.690 6.769 0.370 1.00 0.00 C ATOM 175 CG LEU A 14 -8.528 8.203 0.876 1.00 0.00 C ATOM 176 CD1 LEU A 14 -7.922 8.211 2.271 1.00 0.00 C ATOM 177 CD2 LEU A 14 -7.671 9.014 -0.085 1.00 0.00 C ATOM 0 H LEU A 14 -10.825 7.377 1.451 1.00 0.00 H new ATOM 0 HA LEU A 14 -10.106 6.863 -1.244 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.509 6.089 1.202 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.915 6.577 -0.373 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.515 8.664 0.928 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.814 9.240 2.615 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.574 7.667 2.954 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.943 7.732 2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.566 10.032 0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.686 8.555 -0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.146 9.037 -1.066 1.00 0.00 H new ATOM 189 N SER A 15 -10.405 4.243 0.750 1.00 0.00 N ATOM 190 CA SER A 15 -10.557 2.792 0.762 1.00 0.00 C ATOM 191 C SER A 15 -9.277 2.108 0.292 1.00 0.00 C ATOM 192 O SER A 15 -8.600 2.589 -0.617 1.00 0.00 O ATOM 193 CB SER A 15 -11.729 2.374 -0.128 1.00 0.00 C ATOM 194 OG SER A 15 -12.901 3.103 0.196 1.00 0.00 O ATOM 0 H SER A 15 -10.479 4.683 1.667 1.00 0.00 H new ATOM 0 HA SER A 15 -10.759 2.481 1.787 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.472 2.539 -1.174 1.00 0.00 H new ATOM 0 HB3 SER A 15 -11.917 1.307 -0.010 1.00 0.00 H new ATOM 0 HG SER A 15 -13.635 2.819 -0.388 1.00 0.00 H new ATOM 200 N CYS A 16 -8.952 0.981 0.918 1.00 0.00 N ATOM 201 CA CYS A 16 -7.754 0.229 0.566 1.00 0.00 C ATOM 202 C CYS A 16 -8.097 -0.943 -0.349 1.00 0.00 C ATOM 203 O CYS A 16 -8.501 -2.010 0.114 1.00 0.00 O ATOM 204 CB CYS A 16 -7.059 -0.283 1.829 1.00 0.00 C ATOM 205 SG CYS A 16 -6.089 -1.805 1.579 1.00 0.00 S ATOM 0 H CYS A 16 -9.502 0.569 1.672 1.00 0.00 H new ATOM 0 HA CYS A 16 -7.079 0.898 0.033 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.400 0.497 2.209 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -7.811 -0.466 2.596 1.00 0.00 H new ATOM 0 HG CYS A 16 -6.511 -2.727 2.392 1.00 0.00 H new ATOM 210 N LYS A 17 -7.934 -0.736 -1.651 1.00 0.00 N ATOM 211 CA LYS A 17 -8.225 -1.774 -2.634 1.00 0.00 C ATOM 212 C LYS A 17 -7.118 -2.824 -2.659 1.00 0.00 C ATOM 213 O LYS A 17 -6.564 -3.129 -3.716 1.00 0.00 O ATOM 214 CB LYS A 17 -8.390 -1.158 -4.024 1.00 0.00 C ATOM 215 CG LYS A 17 -9.434 -0.056 -4.081 1.00 0.00 C ATOM 216 CD LYS A 17 -10.836 -0.624 -4.222 1.00 0.00 C ATOM 217 CE LYS A 17 -11.712 0.264 -5.093 1.00 0.00 C ATOM 218 NZ LYS A 17 -12.650 -0.534 -5.931 1.00 0.00 N ATOM 0 H LYS A 17 -7.602 0.142 -2.051 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.157 -2.260 -2.347 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.431 -0.756 -4.350 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.663 -1.942 -4.730 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.375 0.550 -3.177 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.222 0.605 -4.922 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.783 -1.623 -4.656 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.288 -0.728 -3.236 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.280 0.946 -4.461 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.081 0.877 -5.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.229 0.107 -6.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.107 -1.167 -6.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.269 -1.100 -5.316 1.00 0.00 H new ATOM 232 N TRP A 18 -6.802 -3.372 -1.492 1.00 0.00 N ATOM 233 CA TRP A 18 -5.762 -4.389 -1.382 1.00 0.00 C ATOM 234 C TRP A 18 -6.363 -5.789 -1.426 1.00 0.00 C ATOM 235 O TRP A 18 -6.779 -6.329 -0.400 1.00 0.00 O ATOM 236 CB TRP A 18 -4.971 -4.201 -0.086 1.00 0.00 C ATOM 237 CG TRP A 18 -3.900 -5.231 0.111 1.00 0.00 C ATOM 238 CD1 TRP A 18 -4.069 -6.515 0.543 1.00 0.00 C ATOM 239 CD2 TRP A 18 -2.497 -5.062 -0.114 1.00 0.00 C ATOM 240 NE1 TRP A 18 -2.854 -7.155 0.600 1.00 0.00 N ATOM 241 CE2 TRP A 18 -1.874 -6.285 0.201 1.00 0.00 C ATOM 242 CE3 TRP A 18 -1.705 -3.997 -0.553 1.00 0.00 C ATOM 243 CZ2 TRP A 18 -0.498 -6.470 0.091 1.00 0.00 C ATOM 244 CZ3 TRP A 18 -0.340 -4.182 -0.661 1.00 0.00 C ATOM 245 CH2 TRP A 18 0.252 -5.411 -0.341 1.00 0.00 C ATOM 0 H TRP A 18 -7.250 -3.130 -0.608 1.00 0.00 H new ATOM 0 HA TRP A 18 -5.088 -4.276 -2.231 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.517 -3.210 -0.087 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -5.658 -4.236 0.759 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -5.018 -6.962 0.802 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.706 -8.121 0.892 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.152 -3.046 -0.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.039 -7.416 0.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 0.281 -3.365 -0.998 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.322 -5.524 -0.437 1.00 0.00 H new ATOM 256 N ILE A 19 -6.405 -6.373 -2.619 1.00 0.00 N ATOM 257 CA ILE A 19 -6.954 -7.712 -2.795 1.00 0.00 C ATOM 258 C ILE A 19 -5.893 -8.778 -2.543 1.00 0.00 C ATOM 259 O ILE A 19 -5.121 -9.123 -3.438 1.00 0.00 O ATOM 260 CB ILE A 19 -7.532 -7.902 -4.210 1.00 0.00 C ATOM 261 CG1 ILE A 19 -8.560 -6.811 -4.515 1.00 0.00 C ATOM 262 CG2 ILE A 19 -8.159 -9.282 -4.345 1.00 0.00 C ATOM 263 CD1 ILE A 19 -8.338 -6.127 -5.846 1.00 0.00 C ATOM 0 H ILE A 19 -6.065 -5.940 -3.478 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.757 -7.823 -2.066 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.720 -7.821 -4.933 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -9.558 -7.250 -4.503 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.531 -6.064 -3.722 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -8.563 -9.401 -5.350 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -7.402 -10.045 -4.165 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.962 -9.390 -3.616 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -9.103 -5.366 -5.996 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -7.354 -5.659 -5.855 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.397 -6.863 -6.648 1.00 0.00 H new ATOM 275 N ASP A 20 -5.863 -9.298 -1.321 1.00 0.00 N ATOM 276 CA ASP A 20 -4.900 -10.329 -0.952 1.00 0.00 C ATOM 277 C ASP A 20 -5.104 -11.589 -1.787 1.00 0.00 C ATOM 278 O ASP A 20 -5.645 -11.532 -2.891 1.00 0.00 O ATOM 279 CB ASP A 20 -5.022 -10.662 0.536 1.00 0.00 C ATOM 280 CG ASP A 20 -3.674 -10.901 1.188 1.00 0.00 C ATOM 281 OD1 ASP A 20 -2.807 -10.008 1.101 1.00 0.00 O ATOM 282 OD2 ASP A 20 -3.488 -11.982 1.785 1.00 0.00 O ATOM 0 H ASP A 20 -6.495 -9.022 -0.569 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.900 -9.944 -1.149 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.530 -9.845 1.048 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.643 -11.549 0.657 1.00 0.00 H new ATOM 287 N GLU A 21 -4.668 -12.725 -1.251 1.00 0.00 N ATOM 288 CA GLU A 21 -4.803 -13.998 -1.949 1.00 0.00 C ATOM 289 C GLU A 21 -5.074 -15.132 -0.964 1.00 0.00 C ATOM 290 O GLU A 21 -4.370 -15.283 0.034 1.00 0.00 O ATOM 291 CB GLU A 21 -3.538 -14.300 -2.755 1.00 0.00 C ATOM 292 CG GLU A 21 -3.462 -15.733 -3.255 1.00 0.00 C ATOM 293 CD GLU A 21 -2.221 -16.456 -2.768 1.00 0.00 C ATOM 294 OE1 GLU A 21 -1.104 -15.999 -3.091 1.00 0.00 O ATOM 295 OE2 GLU A 21 -2.367 -17.477 -2.065 1.00 0.00 O ATOM 0 H GLU A 21 -4.219 -12.790 -0.337 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.650 -13.921 -2.631 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.491 -13.623 -3.608 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.665 -14.093 -2.136 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.347 -16.276 -2.925 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.475 -15.735 -4.345 1.00 0.00 H new ATOM 383 N PRO A 27 -14.727 -15.209 -2.176 1.00 0.00 N ATOM 384 CA PRO A 27 -13.539 -15.169 -3.034 1.00 0.00 C ATOM 385 C PRO A 27 -12.670 -13.945 -2.763 1.00 0.00 C ATOM 386 O PRO A 27 -13.106 -12.992 -2.117 1.00 0.00 O ATOM 387 CB PRO A 27 -14.123 -15.107 -4.447 1.00 0.00 C ATOM 388 CG PRO A 27 -15.473 -14.500 -4.273 1.00 0.00 C ATOM 389 CD PRO A 27 -15.967 -14.968 -2.932 1.00 0.00 C ATOM 0 HA PRO A 27 -12.886 -16.025 -2.866 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -13.500 -14.503 -5.107 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -14.190 -16.100 -4.892 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -15.420 -13.412 -4.311 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -16.148 -14.814 -5.069 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -16.592 -14.217 -2.450 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -16.567 -15.874 -3.019 1.00 0.00 H new ATOM 397 N LYS A 28 -11.439 -13.978 -3.261 1.00 0.00 N ATOM 398 CA LYS A 28 -10.508 -12.871 -3.075 1.00 0.00 C ATOM 399 C LYS A 28 -11.219 -11.530 -3.228 1.00 0.00 C ATOM 400 O LYS A 28 -11.333 -10.999 -4.333 1.00 0.00 O ATOM 401 CB LYS A 28 -9.359 -12.969 -4.081 1.00 0.00 C ATOM 402 CG LYS A 28 -8.408 -14.121 -3.808 1.00 0.00 C ATOM 403 CD LYS A 28 -7.428 -14.318 -4.952 1.00 0.00 C ATOM 404 CE LYS A 28 -7.863 -15.449 -5.872 1.00 0.00 C ATOM 405 NZ LYS A 28 -6.827 -16.514 -5.968 1.00 0.00 N ATOM 0 H LYS A 28 -11.062 -14.760 -3.797 1.00 0.00 H new ATOM 0 HA LYS A 28 -10.104 -12.935 -2.065 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.773 -13.081 -5.083 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.797 -12.035 -4.070 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.859 -13.930 -2.886 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.979 -15.037 -3.655 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.345 -13.394 -5.524 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.438 -14.535 -4.551 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.794 -15.880 -5.503 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.068 -15.051 -6.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.161 -17.267 -6.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.946 -16.109 -6.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.650 -16.912 -5.024 1.00 0.00 H new ATOM 419 N LYS A 29 -11.695 -10.987 -2.113 1.00 0.00 N ATOM 420 CA LYS A 29 -12.393 -9.707 -2.122 1.00 0.00 C ATOM 421 C LYS A 29 -11.481 -8.586 -1.634 1.00 0.00 C ATOM 422 O LYS A 29 -10.530 -8.827 -0.890 1.00 0.00 O ATOM 423 CB LYS A 29 -13.645 -9.779 -1.244 1.00 0.00 C ATOM 424 CG LYS A 29 -13.348 -10.081 0.215 1.00 0.00 C ATOM 425 CD LYS A 29 -14.619 -10.381 0.992 1.00 0.00 C ATOM 426 CE LYS A 29 -14.846 -9.365 2.102 1.00 0.00 C ATOM 427 NZ LYS A 29 -14.294 -9.833 3.403 1.00 0.00 N ATOM 0 H LYS A 29 -11.610 -11.414 -1.191 1.00 0.00 H new ATOM 0 HA LYS A 29 -12.688 -9.490 -3.149 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -14.179 -8.831 -1.309 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -14.311 -10.547 -1.637 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.671 -10.932 0.281 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.836 -9.231 0.667 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -15.472 -10.376 0.313 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.558 -11.382 1.420 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.380 -8.418 1.829 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.914 -9.175 2.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -14.469 -9.113 4.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.757 -10.723 3.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.270 -9.990 3.309 1.00 0.00 H new ATOM 441 N SER A 30 -11.778 -7.362 -2.057 1.00 0.00 N ATOM 442 CA SER A 30 -10.982 -6.204 -1.664 1.00 0.00 C ATOM 443 C SER A 30 -10.831 -6.138 -0.148 1.00 0.00 C ATOM 444 O SER A 30 -11.762 -6.451 0.595 1.00 0.00 O ATOM 445 CB SER A 30 -11.627 -4.917 -2.181 1.00 0.00 C ATOM 446 OG SER A 30 -13.000 -4.860 -1.835 1.00 0.00 O ATOM 0 H SER A 30 -12.563 -7.146 -2.671 1.00 0.00 H new ATOM 0 HA SER A 30 -9.991 -6.308 -2.106 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.108 -4.054 -1.765 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.519 -4.862 -3.264 1.00 0.00 H new ATOM 0 HG SER A 30 -13.389 -4.027 -2.175 1.00 0.00 H new ATOM 452 N CYS A 31 -9.652 -5.727 0.306 1.00 0.00 N ATOM 453 CA CYS A 31 -9.376 -5.618 1.733 1.00 0.00 C ATOM 454 C CYS A 31 -10.583 -5.058 2.480 1.00 0.00 C ATOM 455 O CYS A 31 -10.800 -5.368 3.651 1.00 0.00 O ATOM 456 CB CYS A 31 -8.156 -4.727 1.972 1.00 0.00 C ATOM 457 SG CYS A 31 -7.978 -4.155 3.692 1.00 0.00 S ATOM 0 H CYS A 31 -8.871 -5.464 -0.295 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.167 -6.618 2.114 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.258 -5.275 1.688 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.220 -3.859 1.316 1.00 0.00 H new ATOM 0 HG CYS A 31 -9.020 -4.518 4.380 1.00 0.00 H new ATOM 462 N ASP A 32 -11.364 -4.232 1.793 1.00 0.00 N ATOM 463 CA ASP A 32 -12.551 -3.629 2.390 1.00 0.00 C ATOM 464 C ASP A 32 -12.170 -2.715 3.551 1.00 0.00 C ATOM 465 O ASP A 32 -11.975 -3.174 4.676 1.00 0.00 O ATOM 466 CB ASP A 32 -13.513 -4.715 2.873 1.00 0.00 C ATOM 467 CG ASP A 32 -14.962 -4.371 2.592 1.00 0.00 C ATOM 468 OD1 ASP A 32 -15.233 -3.755 1.539 1.00 0.00 O ATOM 469 OD2 ASP A 32 -15.826 -4.719 3.423 1.00 0.00 O ATOM 0 H ASP A 32 -11.197 -3.964 0.823 1.00 0.00 H new ATOM 0 HA ASP A 32 -13.047 -3.029 1.627 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.266 -5.658 2.386 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.379 -4.865 3.944 1.00 0.00 H new ATOM 474 N ARG A 33 -12.066 -1.421 3.269 1.00 0.00 N ATOM 475 CA ARG A 33 -11.706 -0.443 4.289 1.00 0.00 C ATOM 476 C ARG A 33 -12.118 0.963 3.864 1.00 0.00 C ATOM 477 O ARG A 33 -12.518 1.186 2.721 1.00 0.00 O ATOM 478 CB ARG A 33 -10.201 -0.486 4.559 1.00 0.00 C ATOM 479 CG ARG A 33 -9.836 -1.167 5.868 1.00 0.00 C ATOM 480 CD ARG A 33 -9.685 -0.159 6.997 1.00 0.00 C ATOM 481 NE ARG A 33 -10.977 0.249 7.542 1.00 0.00 N ATOM 482 CZ ARG A 33 -11.126 1.237 8.418 1.00 0.00 C ATOM 483 NH1 ARG A 33 -10.068 1.914 8.844 1.00 0.00 N ATOM 484 NH2 ARG A 33 -12.334 1.550 8.868 1.00 0.00 N ATOM 0 H ARG A 33 -12.226 -1.025 2.343 1.00 0.00 H new ATOM 0 HA ARG A 33 -12.239 -0.698 5.205 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.708 -1.007 3.738 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.813 0.533 4.569 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.605 -1.894 6.128 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.904 -1.719 5.745 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.077 -0.592 7.791 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.152 0.719 6.631 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.810 -0.252 7.233 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -9.138 1.677 8.499 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.184 2.672 9.516 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.150 1.032 8.542 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.447 2.309 9.540 1.00 0.00 H new ATOM 498 N THR A 34 -12.017 1.910 4.792 1.00 0.00 N ATOM 499 CA THR A 34 -12.380 3.294 4.514 1.00 0.00 C ATOM 500 C THR A 34 -11.579 4.257 5.383 1.00 0.00 C ATOM 501 O THR A 34 -11.605 4.170 6.611 1.00 0.00 O ATOM 502 CB THR A 34 -13.883 3.538 4.747 1.00 0.00 C ATOM 503 OG1 THR A 34 -14.271 3.017 6.023 1.00 0.00 O ATOM 504 CG2 THR A 34 -14.713 2.885 3.652 1.00 0.00 C ATOM 0 H THR A 34 -11.687 1.743 5.743 1.00 0.00 H new ATOM 0 HA THR A 34 -12.148 3.477 3.465 1.00 0.00 H new ATOM 0 HB THR A 34 -14.063 4.613 4.724 1.00 0.00 H new ATOM 0 HG1 THR A 34 -13.537 3.135 6.662 1.00 0.00 H new ATOM 0 HG21 THR A 34 -15.771 3.071 3.838 1.00 0.00 H new ATOM 0 HG22 THR A 34 -14.435 3.305 2.685 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.529 1.811 3.647 1.00 0.00 H new ATOM 512 N PHE A 35 -10.869 5.177 4.738 1.00 0.00 N ATOM 513 CA PHE A 35 -10.060 6.157 5.453 1.00 0.00 C ATOM 514 C PHE A 35 -10.454 7.578 5.060 1.00 0.00 C ATOM 515 O PHE A 35 -10.873 7.827 3.929 1.00 0.00 O ATOM 516 CB PHE A 35 -8.574 5.930 5.167 1.00 0.00 C ATOM 517 CG PHE A 35 -8.193 4.479 5.090 1.00 0.00 C ATOM 518 CD1 PHE A 35 -7.899 3.765 6.241 1.00 0.00 C ATOM 519 CD2 PHE A 35 -8.128 3.830 3.868 1.00 0.00 C ATOM 520 CE1 PHE A 35 -7.549 2.430 6.174 1.00 0.00 C ATOM 521 CE2 PHE A 35 -7.779 2.494 3.796 1.00 0.00 C ATOM 522 CZ PHE A 35 -7.488 1.794 4.950 1.00 0.00 C ATOM 0 H PHE A 35 -10.838 5.264 3.722 1.00 0.00 H new ATOM 0 HA PHE A 35 -10.241 6.031 6.520 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -8.315 6.416 4.226 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -7.984 6.411 5.947 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -7.944 4.258 7.201 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -8.352 4.373 2.962 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -7.323 1.884 7.078 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -7.734 1.998 2.838 1.00 0.00 H new ATOM 0 HZ PHE A 35 -7.213 0.751 4.895 1.00 0.00 H new ATOM 532 N SER A 36 -10.316 8.506 6.001 1.00 0.00 N ATOM 533 CA SER A 36 -10.661 9.901 5.755 1.00 0.00 C ATOM 534 C SER A 36 -9.434 10.695 5.315 1.00 0.00 C ATOM 535 O SER A 36 -9.550 11.709 4.626 1.00 0.00 O ATOM 536 CB SER A 36 -11.263 10.529 7.014 1.00 0.00 C ATOM 537 OG SER A 36 -12.532 9.969 7.306 1.00 0.00 O ATOM 0 H SER A 36 -9.968 8.317 6.941 1.00 0.00 H new ATOM 0 HA SER A 36 -11.399 9.931 4.953 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.591 10.375 7.858 1.00 0.00 H new ATOM 0 HB3 SER A 36 -11.360 11.606 6.876 1.00 0.00 H new ATOM 0 HG SER A 36 -12.895 10.385 8.116 1.00 0.00 H new ATOM 543 N THR A 37 -8.257 10.225 5.717 1.00 0.00 N ATOM 544 CA THR A 37 -7.009 10.890 5.365 1.00 0.00 C ATOM 545 C THR A 37 -6.088 9.955 4.590 1.00 0.00 C ATOM 546 O THR A 37 -5.985 8.770 4.903 1.00 0.00 O ATOM 547 CB THR A 37 -6.271 11.397 6.619 1.00 0.00 C ATOM 548 OG1 THR A 37 -5.914 10.292 7.458 1.00 0.00 O ATOM 549 CG2 THR A 37 -7.137 12.374 7.399 1.00 0.00 C ATOM 0 H THR A 37 -8.142 9.387 6.286 1.00 0.00 H new ATOM 0 HA THR A 37 -7.270 11.741 4.736 1.00 0.00 H new ATOM 0 HB THR A 37 -5.367 11.915 6.297 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.444 10.623 8.252 1.00 0.00 H new ATOM 0 HG21 THR A 37 -6.595 12.718 8.280 1.00 0.00 H new ATOM 0 HG22 THR A 37 -7.382 13.228 6.767 1.00 0.00 H new ATOM 0 HG23 THR A 37 -8.056 11.877 7.710 1.00 0.00 H new ATOM 557 N MET A 38 -5.419 10.497 3.577 1.00 0.00 N ATOM 558 CA MET A 38 -4.504 9.710 2.758 1.00 0.00 C ATOM 559 C MET A 38 -3.399 9.098 3.613 1.00 0.00 C ATOM 560 O MET A 38 -2.904 8.009 3.319 1.00 0.00 O ATOM 561 CB MET A 38 -3.892 10.581 1.660 1.00 0.00 C ATOM 562 CG MET A 38 -2.886 9.844 0.790 1.00 0.00 C ATOM 563 SD MET A 38 -3.490 8.237 0.239 1.00 0.00 S ATOM 564 CE MET A 38 -4.466 8.712 -1.186 1.00 0.00 C ATOM 0 H MET A 38 -5.493 11.477 3.304 1.00 0.00 H new ATOM 0 HA MET A 38 -5.072 8.902 2.297 1.00 0.00 H new ATOM 0 HB2 MET A 38 -4.691 10.969 1.028 1.00 0.00 H new ATOM 0 HB3 MET A 38 -3.403 11.440 2.119 1.00 0.00 H new ATOM 0 HG2 MET A 38 -2.647 10.456 -0.080 1.00 0.00 H new ATOM 0 HG3 MET A 38 -1.960 9.708 1.348 1.00 0.00 H new ATOM 0 HE1 MET A 38 -5.175 7.919 -1.422 1.00 0.00 H new ATOM 0 HE2 MET A 38 -5.010 9.630 -0.965 1.00 0.00 H new ATOM 0 HE3 MET A 38 -3.808 8.876 -2.039 1.00 0.00 H new ATOM 574 N HIS A 39 -3.016 9.804 4.672 1.00 0.00 N ATOM 575 CA HIS A 39 -1.969 9.329 5.570 1.00 0.00 C ATOM 576 C HIS A 39 -2.281 7.922 6.072 1.00 0.00 C ATOM 577 O HIS A 39 -1.407 7.057 6.104 1.00 0.00 O ATOM 578 CB HIS A 39 -1.812 10.283 6.755 1.00 0.00 C ATOM 579 CG HIS A 39 -1.276 9.623 7.988 1.00 0.00 C ATOM 580 ND1 HIS A 39 0.039 9.732 8.388 1.00 0.00 N ATOM 581 CD2 HIS A 39 -1.886 8.845 8.912 1.00 0.00 C ATOM 582 CE1 HIS A 39 0.215 9.047 9.504 1.00 0.00 C ATOM 583 NE2 HIS A 39 -0.938 8.500 9.844 1.00 0.00 N ATOM 0 H HIS A 39 -3.415 10.707 4.929 1.00 0.00 H new ATOM 0 HA HIS A 39 -1.033 9.298 5.012 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -1.146 11.097 6.470 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -2.780 10.729 6.983 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -2.925 8.550 8.916 1.00 0.00 H new ATOM 0 HE1 HIS A 39 1.144 8.951 10.046 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -1.098 7.916 10.665 1.00 0.00 H new ATOM 591 N GLU A 40 -3.532 7.703 6.465 1.00 0.00 N ATOM 592 CA GLU A 40 -3.958 6.402 6.967 1.00 0.00 C ATOM 593 C GLU A 40 -3.709 5.310 5.930 1.00 0.00 C ATOM 594 O GLU A 40 -2.990 4.345 6.188 1.00 0.00 O ATOM 595 CB GLU A 40 -5.441 6.435 7.343 1.00 0.00 C ATOM 596 CG GLU A 40 -5.762 7.407 8.466 1.00 0.00 C ATOM 597 CD GLU A 40 -5.755 6.745 9.830 1.00 0.00 C ATOM 598 OE1 GLU A 40 -6.738 6.046 10.155 1.00 0.00 O ATOM 599 OE2 GLU A 40 -4.767 6.925 10.572 1.00 0.00 O ATOM 0 H GLU A 40 -4.268 8.409 6.445 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.370 6.175 7.857 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.025 6.704 6.463 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.755 5.434 7.639 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.036 8.220 8.457 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.741 7.852 8.287 1.00 0.00 H new ATOM 606 N LEU A 41 -4.311 5.470 4.756 1.00 0.00 N ATOM 607 CA LEU A 41 -4.156 4.499 3.678 1.00 0.00 C ATOM 608 C LEU A 41 -2.696 4.087 3.523 1.00 0.00 C ATOM 609 O LEU A 41 -2.358 2.908 3.627 1.00 0.00 O ATOM 610 CB LEU A 41 -4.677 5.081 2.363 1.00 0.00 C ATOM 611 CG LEU A 41 -4.656 4.139 1.158 1.00 0.00 C ATOM 612 CD1 LEU A 41 -5.142 2.753 1.556 1.00 0.00 C ATOM 613 CD2 LEU A 41 -5.507 4.700 0.028 1.00 0.00 C ATOM 0 H LEU A 41 -4.911 6.263 4.527 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.739 3.614 3.932 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.702 5.417 2.518 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.085 5.964 2.120 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.628 4.054 0.805 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.120 2.096 0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.492 2.349 2.332 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.162 2.820 1.935 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.481 4.017 -0.821 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.536 4.815 0.370 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.115 5.671 -0.275 1.00 0.00 H new ATOM 625 N VAL A 42 -1.833 5.067 3.274 1.00 0.00 N ATOM 626 CA VAL A 42 -0.408 4.806 3.107 1.00 0.00 C ATOM 627 C VAL A 42 0.159 4.058 4.308 1.00 0.00 C ATOM 628 O VAL A 42 0.980 3.152 4.160 1.00 0.00 O ATOM 629 CB VAL A 42 0.383 6.114 2.911 1.00 0.00 C ATOM 630 CG1 VAL A 42 1.873 5.827 2.814 1.00 0.00 C ATOM 631 CG2 VAL A 42 -0.108 6.852 1.674 1.00 0.00 C ATOM 0 H VAL A 42 -2.096 6.048 3.184 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.302 4.188 2.215 1.00 0.00 H new ATOM 0 HB VAL A 42 0.216 6.753 3.778 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.415 6.762 2.676 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.211 5.344 3.731 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.062 5.169 1.966 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.461 7.773 1.550 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.028 6.221 0.796 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.165 7.091 1.789 1.00 0.00 H new ATOM 641 N THR A 43 -0.285 4.443 5.501 1.00 0.00 N ATOM 642 CA THR A 43 0.177 3.809 6.729 1.00 0.00 C ATOM 643 C THR A 43 -0.538 2.485 6.968 1.00 0.00 C ATOM 644 O THR A 43 -0.104 1.671 7.784 1.00 0.00 O ATOM 645 CB THR A 43 -0.040 4.724 7.949 1.00 0.00 C ATOM 646 OG1 THR A 43 1.116 5.543 8.160 1.00 0.00 O ATOM 647 CG2 THR A 43 -0.320 3.903 9.199 1.00 0.00 C ATOM 0 H THR A 43 -0.964 5.191 5.642 1.00 0.00 H new ATOM 0 HA THR A 43 1.244 3.625 6.607 1.00 0.00 H new ATOM 0 HB THR A 43 -0.903 5.359 7.749 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.969 6.123 8.936 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.470 4.571 10.047 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.217 3.303 9.047 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.526 3.246 9.400 1.00 0.00 H new ATOM 655 N HIS A 44 -1.637 2.273 6.251 1.00 0.00 N ATOM 656 CA HIS A 44 -2.413 1.045 6.385 1.00 0.00 C ATOM 657 C HIS A 44 -1.745 -0.103 5.635 1.00 0.00 C ATOM 658 O HIS A 44 -1.306 -1.081 6.241 1.00 0.00 O ATOM 659 CB HIS A 44 -3.834 1.255 5.860 1.00 0.00 C ATOM 660 CG HIS A 44 -4.629 -0.011 5.763 1.00 0.00 C ATOM 661 ND1 HIS A 44 -5.617 -0.349 6.664 1.00 0.00 N ATOM 662 CD2 HIS A 44 -4.579 -1.021 4.865 1.00 0.00 C ATOM 663 CE1 HIS A 44 -6.140 -1.514 6.324 1.00 0.00 C ATOM 664 NE2 HIS A 44 -5.527 -1.943 5.235 1.00 0.00 N ATOM 0 H HIS A 44 -2.010 2.936 5.571 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.459 0.787 7.443 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -4.355 1.953 6.515 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.784 1.719 4.875 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -3.917 -1.090 4.015 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -6.933 -2.028 6.847 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -5.726 -2.817 4.748 1.00 0.00 H new ATOM 672 N VAL A 45 -1.673 0.021 4.314 1.00 0.00 N ATOM 673 CA VAL A 45 -1.058 -1.006 3.481 1.00 0.00 C ATOM 674 C VAL A 45 0.391 -1.249 3.888 1.00 0.00 C ATOM 675 O VAL A 45 1.016 -2.217 3.455 1.00 0.00 O ATOM 676 CB VAL A 45 -1.104 -0.622 1.990 1.00 0.00 C ATOM 677 CG1 VAL A 45 -0.589 -1.764 1.128 1.00 0.00 C ATOM 678 CG2 VAL A 45 -2.517 -0.231 1.584 1.00 0.00 C ATOM 0 H VAL A 45 -2.033 0.823 3.797 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.632 -1.920 3.630 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.455 0.239 1.834 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.629 -1.474 0.078 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.441 -1.991 1.403 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.209 -2.646 1.285 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.531 0.037 0.528 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.190 -1.071 1.754 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.844 0.622 2.179 1.00 0.00 H new ATOM 688 N THR A 46 0.921 -0.363 4.725 1.00 0.00 N ATOM 689 CA THR A 46 2.297 -0.480 5.191 1.00 0.00 C ATOM 690 C THR A 46 2.439 -1.605 6.210 1.00 0.00 C ATOM 691 O THR A 46 3.152 -2.580 5.975 1.00 0.00 O ATOM 692 CB THR A 46 2.790 0.835 5.824 1.00 0.00 C ATOM 693 OG1 THR A 46 3.231 1.736 4.802 1.00 0.00 O ATOM 694 CG2 THR A 46 3.926 0.573 6.801 1.00 0.00 C ATOM 0 H THR A 46 0.418 0.444 5.094 1.00 0.00 H new ATOM 0 HA THR A 46 2.908 -0.706 4.317 1.00 0.00 H new ATOM 0 HB THR A 46 1.959 1.283 6.369 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.475 2.279 4.496 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.257 1.516 7.235 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.578 -0.089 7.594 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.757 0.104 6.275 1.00 0.00 H new ATOM 702 N MET A 47 1.755 -1.463 7.340 1.00 0.00 N ATOM 703 CA MET A 47 1.804 -2.471 8.394 1.00 0.00 C ATOM 704 C MET A 47 0.664 -3.472 8.242 1.00 0.00 C ATOM 705 O MET A 47 0.882 -4.683 8.274 1.00 0.00 O ATOM 706 CB MET A 47 1.733 -1.804 9.769 1.00 0.00 C ATOM 707 CG MET A 47 0.433 -2.074 10.509 1.00 0.00 C ATOM 708 SD MET A 47 0.424 -1.380 12.173 1.00 0.00 S ATOM 709 CE MET A 47 0.467 0.373 11.810 1.00 0.00 C ATOM 0 H MET A 47 1.161 -0.661 7.550 1.00 0.00 H new ATOM 0 HA MET A 47 2.749 -3.008 8.306 1.00 0.00 H new ATOM 0 HB2 MET A 47 2.567 -2.154 10.377 1.00 0.00 H new ATOM 0 HB3 MET A 47 1.856 -0.728 9.648 1.00 0.00 H new ATOM 0 HG2 MET A 47 -0.398 -1.656 9.941 1.00 0.00 H new ATOM 0 HG3 MET A 47 0.269 -3.150 10.567 1.00 0.00 H new ATOM 0 HE1 MET A 47 0.183 0.936 12.699 1.00 0.00 H new ATOM 0 HE2 MET A 47 1.475 0.657 11.507 1.00 0.00 H new ATOM 0 HE3 MET A 47 -0.231 0.595 11.002 1.00 0.00 H new ATOM 719 N GLU A 48 -0.551 -2.959 8.077 1.00 0.00 N ATOM 720 CA GLU A 48 -1.725 -3.810 7.922 1.00 0.00 C ATOM 721 C GLU A 48 -1.476 -4.894 6.876 1.00 0.00 C ATOM 722 O GLU A 48 -1.873 -6.046 7.053 1.00 0.00 O ATOM 723 CB GLU A 48 -2.942 -2.972 7.524 1.00 0.00 C ATOM 724 CG GLU A 48 -3.137 -1.736 8.387 1.00 0.00 C ATOM 725 CD GLU A 48 -3.185 -2.060 9.867 1.00 0.00 C ATOM 726 OE1 GLU A 48 -3.552 -3.201 10.214 1.00 0.00 O ATOM 727 OE2 GLU A 48 -2.853 -1.170 10.679 1.00 0.00 O ATOM 0 H GLU A 48 -0.748 -1.959 8.047 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.922 -4.291 8.880 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.837 -2.666 6.483 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.836 -3.593 7.585 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.325 -1.034 8.199 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.062 -1.238 8.098 1.00 0.00 H new ATOM 734 N HIS A 49 -0.817 -4.515 5.786 1.00 0.00 N ATOM 735 CA HIS A 49 -0.515 -5.454 4.711 1.00 0.00 C ATOM 736 C HIS A 49 0.983 -5.733 4.638 1.00 0.00 C ATOM 737 O HIS A 49 1.462 -6.745 5.150 1.00 0.00 O ATOM 738 CB HIS A 49 -1.009 -4.905 3.372 1.00 0.00 C ATOM 739 CG HIS A 49 -2.500 -4.916 3.234 1.00 0.00 C ATOM 740 ND1 HIS A 49 -3.282 -5.993 3.594 1.00 0.00 N ATOM 741 CD2 HIS A 49 -3.353 -3.971 2.772 1.00 0.00 C ATOM 742 CE1 HIS A 49 -4.551 -5.712 3.359 1.00 0.00 C ATOM 743 NE2 HIS A 49 -4.622 -4.490 2.860 1.00 0.00 N ATOM 0 H HIS A 49 -0.482 -3.565 5.624 1.00 0.00 H new ATOM 0 HA HIS A 49 -1.031 -6.390 4.924 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -0.649 -3.883 3.252 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -0.573 -5.493 2.564 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -2.935 -6.870 3.982 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -3.086 -2.992 2.403 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -5.388 -6.369 3.543 1.00 0.00 H new ATOM 751 N VAL A 50 1.718 -4.829 3.998 1.00 0.00 N ATOM 752 CA VAL A 50 3.162 -4.978 3.859 1.00 0.00 C ATOM 753 C VAL A 50 3.794 -5.451 5.163 1.00 0.00 C ATOM 754 O VAL A 50 4.846 -6.089 5.159 1.00 0.00 O ATOM 755 CB VAL A 50 3.824 -3.655 3.430 1.00 0.00 C ATOM 756 CG1 VAL A 50 5.196 -3.512 4.071 1.00 0.00 C ATOM 757 CG2 VAL A 50 3.923 -3.575 1.914 1.00 0.00 C ATOM 0 H VAL A 50 1.337 -3.986 3.568 1.00 0.00 H new ATOM 0 HA VAL A 50 3.330 -5.727 3.085 1.00 0.00 H new ATOM 0 HB VAL A 50 3.201 -2.829 3.774 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.648 -2.572 3.756 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.093 -3.520 5.156 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.831 -4.342 3.760 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.393 -2.634 1.629 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.523 -4.407 1.544 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.924 -3.627 1.481 1.00 0.00 H new ATOM 767 N GLY A 51 3.144 -5.134 6.278 1.00 0.00 N ATOM 768 CA GLY A 51 3.657 -5.535 7.575 1.00 0.00 C ATOM 769 C GLY A 51 5.096 -5.106 7.787 1.00 0.00 C ATOM 770 O GLY A 51 5.750 -4.625 6.863 1.00 0.00 O ATOM 0 H GLY A 51 2.271 -4.607 6.307 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.033 -5.104 8.358 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.586 -6.618 7.671 1.00 0.00 H new ATOM 774 N GLY A 52 5.590 -5.280 9.010 1.00 0.00 N ATOM 775 CA GLY A 52 6.956 -4.901 9.318 1.00 0.00 C ATOM 776 C GLY A 52 7.973 -5.726 8.555 1.00 0.00 C ATOM 777 O GLY A 52 7.634 -6.478 7.641 1.00 0.00 O ATOM 0 H GLY A 52 5.068 -5.676 9.792 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.099 -3.846 9.083 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.129 -5.016 10.388 1.00 0.00 H new ATOM 781 N PRO A 53 9.254 -5.590 8.931 1.00 0.00 N ATOM 782 CA PRO A 53 10.350 -6.320 8.288 1.00 0.00 C ATOM 783 C PRO A 53 10.315 -7.812 8.601 1.00 0.00 C ATOM 784 O PRO A 53 11.165 -8.572 8.139 1.00 0.00 O ATOM 785 CB PRO A 53 11.604 -5.677 8.885 1.00 0.00 C ATOM 786 CG PRO A 53 11.161 -5.134 10.200 1.00 0.00 C ATOM 787 CD PRO A 53 9.730 -4.712 10.013 1.00 0.00 C ATOM 0 HA PRO A 53 10.299 -6.257 7.201 1.00 0.00 H new ATOM 0 HB2 PRO A 53 12.404 -6.408 9.007 1.00 0.00 H new ATOM 0 HB3 PRO A 53 11.990 -4.887 8.240 1.00 0.00 H new ATOM 0 HG2 PRO A 53 11.246 -5.888 10.982 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.781 -4.290 10.502 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.149 -4.847 10.925 1.00 0.00 H new ATOM 0 HD3 PRO A 53 9.654 -3.660 9.739 1.00 0.00 H new ATOM 795 N GLU A 54 9.326 -8.224 9.389 1.00 0.00 N ATOM 796 CA GLU A 54 9.182 -9.625 9.764 1.00 0.00 C ATOM 797 C GLU A 54 8.078 -10.296 8.950 1.00 0.00 C ATOM 798 O GLU A 54 7.591 -11.366 9.312 1.00 0.00 O ATOM 799 CB GLU A 54 8.876 -9.748 11.258 1.00 0.00 C ATOM 800 CG GLU A 54 10.052 -9.391 12.151 1.00 0.00 C ATOM 801 CD GLU A 54 10.215 -10.353 13.313 1.00 0.00 C ATOM 802 OE1 GLU A 54 10.571 -11.524 13.068 1.00 0.00 O ATOM 803 OE2 GLU A 54 9.987 -9.932 14.466 1.00 0.00 O ATOM 0 H GLU A 54 8.614 -7.607 9.779 1.00 0.00 H new ATOM 0 HA GLU A 54 10.124 -10.130 9.551 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.035 -9.099 11.503 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.564 -10.770 11.474 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.966 -9.386 11.557 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.917 -8.381 12.537 1.00 0.00 H new ATOM 810 N GLN A 55 7.690 -9.657 7.851 1.00 0.00 N ATOM 811 CA GLN A 55 6.644 -10.190 6.988 1.00 0.00 C ATOM 812 C GLN A 55 7.213 -11.213 6.011 1.00 0.00 C ATOM 813 O GLN A 55 8.221 -10.963 5.352 1.00 0.00 O ATOM 814 CB GLN A 55 5.961 -9.058 6.219 1.00 0.00 C ATOM 815 CG GLN A 55 4.453 -9.216 6.113 1.00 0.00 C ATOM 816 CD GLN A 55 3.974 -9.304 4.677 1.00 0.00 C ATOM 817 OE1 GLN A 55 3.155 -8.499 4.234 1.00 0.00 O ATOM 818 NE2 GLN A 55 4.485 -10.284 3.942 1.00 0.00 N ATOM 0 H GLN A 55 8.084 -8.770 7.538 1.00 0.00 H new ATOM 0 HA GLN A 55 5.907 -10.687 7.618 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.185 -8.111 6.709 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.384 -9.005 5.216 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.147 -10.114 6.650 1.00 0.00 H new ATOM 0 HG3 GLN A 55 3.968 -8.372 6.603 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.162 -10.929 4.351 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.201 -10.392 2.968 1.00 0.00 H new ATOM 827 N ASN A 56 6.560 -12.367 5.922 1.00 0.00 N ATOM 828 CA ASN A 56 7.002 -13.429 5.026 1.00 0.00 C ATOM 829 C ASN A 56 6.290 -13.336 3.680 1.00 0.00 C ATOM 830 O ASN A 56 5.101 -13.632 3.573 1.00 0.00 O ATOM 831 CB ASN A 56 6.744 -14.799 5.658 1.00 0.00 C ATOM 832 CG ASN A 56 7.957 -15.706 5.587 1.00 0.00 C ATOM 833 OD1 ASN A 56 8.946 -15.494 6.289 1.00 0.00 O ATOM 834 ND2 ASN A 56 7.887 -16.723 4.737 1.00 0.00 N ATOM 0 H ASN A 56 5.723 -12.591 6.460 1.00 0.00 H new ATOM 0 HA ASN A 56 8.073 -13.308 4.860 1.00 0.00 H new ATOM 0 HB2 ASN A 56 6.453 -14.666 6.700 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.906 -15.278 5.152 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.673 -17.367 4.646 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.047 -16.861 4.175 1.00 0.00 H new ATOM 841 N ASN A 57 7.028 -12.923 2.654 1.00 0.00 N ATOM 842 CA ASN A 57 6.468 -12.791 1.314 1.00 0.00 C ATOM 843 C ASN A 57 5.712 -11.474 1.168 1.00 0.00 C ATOM 844 O ASN A 57 4.514 -11.398 1.447 1.00 0.00 O ATOM 845 CB ASN A 57 5.534 -13.964 1.011 1.00 0.00 C ATOM 846 CG ASN A 57 5.728 -14.510 -0.390 1.00 0.00 C ATOM 847 OD1 ASN A 57 5.455 -13.828 -1.378 1.00 0.00 O ATOM 848 ND2 ASN A 57 6.202 -15.748 -0.483 1.00 0.00 N ATOM 0 H ASN A 57 8.015 -12.674 2.725 1.00 0.00 H new ATOM 0 HA ASN A 57 7.292 -12.798 0.601 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.708 -14.760 1.735 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.500 -13.642 1.133 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.353 -16.169 -1.400 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.415 -16.277 0.362 1.00 0.00 H new ATOM 855 N HIS A 58 6.419 -10.437 0.729 1.00 0.00 N ATOM 856 CA HIS A 58 5.814 -9.122 0.544 1.00 0.00 C ATOM 857 C HIS A 58 5.484 -8.878 -0.925 1.00 0.00 C ATOM 858 O HIS A 58 6.368 -8.581 -1.729 1.00 0.00 O ATOM 859 CB HIS A 58 6.753 -8.030 1.058 1.00 0.00 C ATOM 860 CG HIS A 58 7.875 -8.552 1.900 1.00 0.00 C ATOM 861 ND1 HIS A 58 9.120 -7.960 1.946 1.00 0.00 N ATOM 862 CD2 HIS A 58 7.935 -9.616 2.735 1.00 0.00 C ATOM 863 CE1 HIS A 58 9.898 -8.639 2.771 1.00 0.00 C ATOM 864 NE2 HIS A 58 9.202 -9.648 3.263 1.00 0.00 N ATOM 0 H HIS A 58 7.411 -10.482 0.495 1.00 0.00 H new ATOM 0 HA HIS A 58 4.886 -9.091 1.115 1.00 0.00 H new ATOM 0 HB2 HIS A 58 7.169 -7.490 0.207 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.177 -7.311 1.641 1.00 0.00 H new ATOM 0 HD2 HIS A 58 7.135 -10.310 2.946 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.927 -8.408 3.003 1.00 0.00 H new ATOM 0 HE2 HIS A 58 9.550 -10.339 3.928 1.00 0.00 H new ATOM 872 N VAL A 59 4.206 -9.005 -1.269 1.00 0.00 N ATOM 873 CA VAL A 59 3.760 -8.797 -2.641 1.00 0.00 C ATOM 874 C VAL A 59 2.727 -7.678 -2.719 1.00 0.00 C ATOM 875 O VAL A 59 1.946 -7.473 -1.790 1.00 0.00 O ATOM 876 CB VAL A 59 3.153 -10.082 -3.234 1.00 0.00 C ATOM 877 CG1 VAL A 59 2.640 -9.830 -4.644 1.00 0.00 C ATOM 878 CG2 VAL A 59 4.176 -11.208 -3.224 1.00 0.00 C ATOM 0 H VAL A 59 3.462 -9.251 -0.616 1.00 0.00 H new ATOM 0 HA VAL A 59 4.639 -8.517 -3.221 1.00 0.00 H new ATOM 0 HB VAL A 59 2.308 -10.383 -2.614 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.215 -10.750 -5.046 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.873 -9.056 -4.619 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.464 -9.504 -5.278 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.730 -12.108 -3.646 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.042 -10.918 -3.819 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.490 -11.405 -2.199 1.00 0.00 H new ATOM 888 N CYS A 60 2.730 -6.956 -3.834 1.00 0.00 N ATOM 889 CA CYS A 60 1.794 -5.856 -4.036 1.00 0.00 C ATOM 890 C CYS A 60 0.444 -6.374 -4.524 1.00 0.00 C ATOM 891 O CYS A 60 0.328 -6.882 -5.640 1.00 0.00 O ATOM 892 CB CYS A 60 2.362 -4.853 -5.042 1.00 0.00 C ATOM 893 SG CYS A 60 1.365 -3.339 -5.225 1.00 0.00 S ATOM 0 H CYS A 60 3.370 -7.113 -4.612 1.00 0.00 H new ATOM 0 HA CYS A 60 1.647 -5.356 -3.079 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.370 -4.576 -4.734 1.00 0.00 H new ATOM 0 HB3 CYS A 60 2.448 -5.339 -6.014 1.00 0.00 H new ATOM 0 HG CYS A 60 2.084 -2.304 -4.905 1.00 0.00 H new ATOM 898 N TYR A 61 -0.574 -6.240 -3.681 1.00 0.00 N ATOM 899 CA TYR A 61 -1.916 -6.696 -4.025 1.00 0.00 C ATOM 900 C TYR A 61 -2.869 -5.515 -4.181 1.00 0.00 C ATOM 901 O TYR A 61 -3.145 -4.795 -3.221 1.00 0.00 O ATOM 902 CB TYR A 61 -2.443 -7.653 -2.954 1.00 0.00 C ATOM 903 CG TYR A 61 -1.974 -9.079 -3.133 1.00 0.00 C ATOM 904 CD1 TYR A 61 -2.404 -9.841 -4.213 1.00 0.00 C ATOM 905 CD2 TYR A 61 -1.104 -9.665 -2.223 1.00 0.00 C ATOM 906 CE1 TYR A 61 -1.979 -11.145 -4.381 1.00 0.00 C ATOM 907 CE2 TYR A 61 -0.673 -10.968 -2.383 1.00 0.00 C ATOM 908 CZ TYR A 61 -1.114 -11.704 -3.464 1.00 0.00 C ATOM 909 OH TYR A 61 -0.688 -13.002 -3.626 1.00 0.00 O ATOM 0 H TYR A 61 -0.496 -5.820 -2.755 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.860 -7.223 -4.977 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.128 -7.296 -1.973 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -3.533 -7.634 -2.966 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -3.082 -9.407 -4.933 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.758 -9.092 -1.375 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.322 -11.723 -5.226 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.005 -11.408 -1.666 1.00 0.00 H new ATOM 0 HH TYR A 61 -0.082 -13.241 -2.894 1.00 0.00 H new ATOM 919 N TRP A 62 -3.369 -5.323 -5.396 1.00 0.00 N ATOM 920 CA TRP A 62 -4.292 -4.230 -5.679 1.00 0.00 C ATOM 921 C TRP A 62 -5.303 -4.634 -6.747 1.00 0.00 C ATOM 922 O TRP A 62 -5.154 -5.670 -7.395 1.00 0.00 O ATOM 923 CB TRP A 62 -3.522 -2.989 -6.132 1.00 0.00 C ATOM 924 CG TRP A 62 -4.210 -1.704 -5.785 1.00 0.00 C ATOM 925 CD1 TRP A 62 -4.675 -0.762 -6.658 1.00 0.00 C ATOM 926 CD2 TRP A 62 -4.509 -1.219 -4.472 1.00 0.00 C ATOM 927 NE1 TRP A 62 -5.245 0.280 -5.966 1.00 0.00 N ATOM 928 CE2 TRP A 62 -5.157 0.023 -4.623 1.00 0.00 C ATOM 929 CE3 TRP A 62 -4.295 -1.713 -3.182 1.00 0.00 C ATOM 930 CZ2 TRP A 62 -5.589 0.775 -3.534 1.00 0.00 C ATOM 931 CZ3 TRP A 62 -4.724 -0.966 -2.102 1.00 0.00 C ATOM 932 CH2 TRP A 62 -5.366 0.266 -2.283 1.00 0.00 C ATOM 0 H TRP A 62 -3.151 -5.910 -6.201 1.00 0.00 H new ATOM 0 HA TRP A 62 -4.833 -3.998 -4.762 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -2.532 -2.998 -5.676 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -3.376 -3.035 -7.211 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -4.605 -0.826 -7.734 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -5.665 1.110 -6.384 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -3.803 -2.663 -3.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -6.082 1.726 -3.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -4.562 -1.338 -1.101 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -5.691 0.825 -1.418 1.00 0.00 H new ATOM 943 N GLU A 63 -6.330 -3.809 -6.926 1.00 0.00 N ATOM 944 CA GLU A 63 -7.365 -4.083 -7.916 1.00 0.00 C ATOM 945 C GLU A 63 -6.913 -3.652 -9.308 1.00 0.00 C ATOM 946 O GLU A 63 -7.310 -4.245 -10.311 1.00 0.00 O ATOM 947 CB GLU A 63 -8.662 -3.362 -7.543 1.00 0.00 C ATOM 948 CG GLU A 63 -9.637 -3.225 -8.701 1.00 0.00 C ATOM 949 CD GLU A 63 -11.071 -3.501 -8.292 1.00 0.00 C ATOM 950 OE1 GLU A 63 -11.289 -4.434 -7.491 1.00 0.00 O ATOM 951 OE2 GLU A 63 -11.974 -2.786 -8.773 1.00 0.00 O ATOM 0 H GLU A 63 -6.467 -2.947 -6.399 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.546 -5.158 -7.928 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.148 -3.903 -6.732 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.420 -2.369 -7.164 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.568 -2.218 -9.112 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.351 -3.914 -9.496 1.00 0.00 H new ATOM 958 N GLU A 64 -6.082 -2.616 -9.360 1.00 0.00 N ATOM 959 CA GLU A 64 -5.578 -2.105 -10.629 1.00 0.00 C ATOM 960 C GLU A 64 -4.080 -1.824 -10.546 1.00 0.00 C ATOM 961 O GLU A 64 -3.645 -0.677 -10.653 1.00 0.00 O ATOM 962 CB GLU A 64 -6.326 -0.829 -11.024 1.00 0.00 C ATOM 963 CG GLU A 64 -7.791 -0.833 -10.621 1.00 0.00 C ATOM 964 CD GLU A 64 -8.457 0.512 -10.831 1.00 0.00 C ATOM 965 OE1 GLU A 64 -8.146 1.453 -10.071 1.00 0.00 O ATOM 966 OE2 GLU A 64 -9.290 0.625 -11.755 1.00 0.00 O ATOM 0 H GLU A 64 -5.744 -2.114 -8.539 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.746 -2.867 -11.390 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.834 0.028 -10.564 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.255 -0.696 -12.104 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.321 -1.591 -11.198 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.875 -1.116 -9.572 1.00 0.00 H new ATOM 973 N CYS A 65 -3.296 -2.879 -10.354 1.00 0.00 N ATOM 974 CA CYS A 65 -1.848 -2.749 -10.256 1.00 0.00 C ATOM 975 C CYS A 65 -1.160 -3.404 -11.450 1.00 0.00 C ATOM 976 O CYS A 65 -1.587 -4.444 -11.951 1.00 0.00 O ATOM 977 CB CYS A 65 -1.345 -3.379 -8.955 1.00 0.00 C ATOM 978 SG CYS A 65 0.416 -3.845 -8.986 1.00 0.00 S ATOM 0 H CYS A 65 -3.640 -3.835 -10.263 1.00 0.00 H new ATOM 0 HA CYS A 65 -1.603 -1.687 -10.256 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -1.510 -2.678 -8.137 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.941 -4.266 -8.739 1.00 0.00 H new ATOM 0 HG CYS A 65 0.915 -3.734 -7.791 1.00 0.00 H new ATOM 983 N PRO A 66 -0.068 -2.782 -11.918 1.00 0.00 N ATOM 984 CA PRO A 66 0.704 -3.286 -13.058 1.00 0.00 C ATOM 985 C PRO A 66 1.457 -4.569 -12.726 1.00 0.00 C ATOM 986 O PRO A 66 1.499 -5.501 -13.529 1.00 0.00 O ATOM 987 CB PRO A 66 1.686 -2.150 -13.352 1.00 0.00 C ATOM 988 CG PRO A 66 1.833 -1.431 -12.056 1.00 0.00 C ATOM 989 CD PRO A 66 0.499 -1.538 -11.370 1.00 0.00 C ATOM 0 HA PRO A 66 0.064 -3.543 -13.902 1.00 0.00 H new ATOM 0 HB2 PRO A 66 2.644 -2.535 -13.702 1.00 0.00 H new ATOM 0 HB3 PRO A 66 1.305 -1.489 -14.130 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.621 -1.877 -11.449 1.00 0.00 H new ATOM 0 HG3 PRO A 66 2.107 -0.388 -12.217 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.607 -1.589 -10.287 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.135 -0.678 -11.587 1.00 0.00 H new ATOM 997 N ARG A 67 2.051 -4.611 -11.538 1.00 0.00 N ATOM 998 CA ARG A 67 2.804 -5.780 -11.100 1.00 0.00 C ATOM 999 C ARG A 67 1.867 -6.941 -10.780 1.00 0.00 C ATOM 1000 O ARG A 67 2.302 -8.085 -10.653 1.00 0.00 O ATOM 1001 CB ARG A 67 3.648 -5.439 -9.870 1.00 0.00 C ATOM 1002 CG ARG A 67 3.992 -3.963 -9.759 1.00 0.00 C ATOM 1003 CD ARG A 67 5.421 -3.759 -9.279 1.00 0.00 C ATOM 1004 NE ARG A 67 5.969 -2.479 -9.721 1.00 0.00 N ATOM 1005 CZ ARG A 67 7.270 -2.216 -9.772 1.00 0.00 C ATOM 1006 NH1 ARG A 67 8.151 -3.138 -9.410 1.00 0.00 N ATOM 1007 NH2 ARG A 67 7.692 -1.028 -10.186 1.00 0.00 N ATOM 0 H ARG A 67 2.025 -3.848 -10.861 1.00 0.00 H new ATOM 0 HA ARG A 67 3.464 -6.081 -11.913 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.110 -5.747 -8.974 1.00 0.00 H new ATOM 0 HB3 ARG A 67 4.571 -6.017 -9.901 1.00 0.00 H new ATOM 0 HG2 ARG A 67 3.861 -3.484 -10.729 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.302 -3.478 -9.068 1.00 0.00 H new ATOM 0 HD2 ARG A 67 5.448 -3.809 -8.190 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.048 -4.570 -9.651 1.00 0.00 H new ATOM 0 HE ARG A 67 5.317 -1.748 -10.006 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.830 -4.052 -9.091 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.149 -2.933 -9.450 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.017 -0.316 -10.465 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.691 -0.827 -10.225 1.00 0.00 H new ATOM 1021 N GLU A 68 0.579 -6.638 -10.652 1.00 0.00 N ATOM 1022 CA GLU A 68 -0.418 -7.657 -10.346 1.00 0.00 C ATOM 1023 C GLU A 68 0.095 -8.618 -9.277 1.00 0.00 C ATOM 1024 O GLU A 68 -0.358 -9.757 -9.182 1.00 0.00 O ATOM 1025 CB GLU A 68 -0.790 -8.435 -11.611 1.00 0.00 C ATOM 1026 CG GLU A 68 -1.267 -7.551 -12.751 1.00 0.00 C ATOM 1027 CD GLU A 68 -1.962 -8.336 -13.846 1.00 0.00 C ATOM 1028 OE1 GLU A 68 -1.429 -9.390 -14.251 1.00 0.00 O ATOM 1029 OE2 GLU A 68 -3.041 -7.897 -14.297 1.00 0.00 O ATOM 0 H GLU A 68 0.202 -5.696 -10.755 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.306 -7.155 -9.962 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.076 -9.007 -11.944 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.572 -9.154 -11.368 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.950 -6.797 -12.360 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.415 -7.020 -13.175 1.00 0.00 H new ATOM 1036 N GLY A 69 1.046 -8.148 -8.476 1.00 0.00 N ATOM 1037 CA GLY A 69 1.607 -8.977 -7.425 1.00 0.00 C ATOM 1038 C GLY A 69 2.832 -9.744 -7.883 1.00 0.00 C ATOM 1039 O GLY A 69 3.049 -10.885 -7.473 1.00 0.00 O ATOM 0 H GLY A 69 1.438 -7.208 -8.536 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.872 -8.349 -6.574 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.850 -9.681 -7.079 1.00 0.00 H new ATOM 1043 N LYS A 70 3.634 -9.119 -8.737 1.00 0.00 N ATOM 1044 CA LYS A 70 4.844 -9.749 -9.253 1.00 0.00 C ATOM 1045 C LYS A 70 5.849 -9.995 -8.133 1.00 0.00 C ATOM 1046 O LYS A 70 6.844 -10.694 -8.322 1.00 0.00 O ATOM 1047 CB LYS A 70 5.476 -8.875 -10.338 1.00 0.00 C ATOM 1048 CG LYS A 70 5.583 -9.563 -11.688 1.00 0.00 C ATOM 1049 CD LYS A 70 6.170 -8.638 -12.741 1.00 0.00 C ATOM 1050 CE LYS A 70 5.080 -7.950 -13.549 1.00 0.00 C ATOM 1051 NZ LYS A 70 4.589 -8.808 -14.661 1.00 0.00 N ATOM 0 H LYS A 70 3.468 -8.175 -9.087 1.00 0.00 H new ATOM 0 HA LYS A 70 4.567 -10.710 -9.686 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.886 -7.965 -10.449 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.472 -8.572 -10.014 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.206 -10.452 -11.596 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.596 -9.897 -12.006 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.796 -7.887 -12.259 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.815 -9.209 -13.410 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.248 -7.695 -12.893 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.465 -7.014 -13.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.847 -8.303 -15.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.377 -9.031 -15.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.198 -9.690 -14.272 1.00 0.00 H new ATOM 1065 N SER A 71 5.582 -9.416 -6.967 1.00 0.00 N ATOM 1066 CA SER A 71 6.466 -9.570 -5.817 1.00 0.00 C ATOM 1067 C SER A 71 7.684 -8.661 -5.942 1.00 0.00 C ATOM 1068 O SER A 71 8.058 -8.252 -7.042 1.00 0.00 O ATOM 1069 CB SER A 71 6.914 -11.027 -5.683 1.00 0.00 C ATOM 1070 OG SER A 71 8.297 -11.162 -5.956 1.00 0.00 O ATOM 0 H SER A 71 4.761 -8.836 -6.793 1.00 0.00 H new ATOM 0 HA SER A 71 5.912 -9.284 -4.923 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.702 -11.385 -4.675 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.342 -11.651 -6.369 1.00 0.00 H new ATOM 0 HG SER A 71 8.448 -11.096 -6.922 1.00 0.00 H new ATOM 1076 N PHE A 72 8.300 -8.348 -4.807 1.00 0.00 N ATOM 1077 CA PHE A 72 9.477 -7.486 -4.788 1.00 0.00 C ATOM 1078 C PHE A 72 10.680 -8.221 -4.203 1.00 0.00 C ATOM 1079 O PHE A 72 10.611 -9.415 -3.910 1.00 0.00 O ATOM 1080 CB PHE A 72 9.194 -6.220 -3.977 1.00 0.00 C ATOM 1081 CG PHE A 72 8.274 -5.257 -4.670 1.00 0.00 C ATOM 1082 CD1 PHE A 72 6.977 -5.625 -4.988 1.00 0.00 C ATOM 1083 CD2 PHE A 72 8.706 -3.983 -5.004 1.00 0.00 C ATOM 1084 CE1 PHE A 72 6.128 -4.740 -5.627 1.00 0.00 C ATOM 1085 CE2 PHE A 72 7.862 -3.094 -5.643 1.00 0.00 C ATOM 1086 CZ PHE A 72 6.571 -3.473 -5.954 1.00 0.00 C ATOM 0 H PHE A 72 8.004 -8.678 -3.888 1.00 0.00 H new ATOM 0 HA PHE A 72 9.709 -7.207 -5.816 1.00 0.00 H new ATOM 0 HB2 PHE A 72 8.757 -6.502 -3.019 1.00 0.00 H new ATOM 0 HB3 PHE A 72 10.137 -5.718 -3.762 1.00 0.00 H new ATOM 0 HD1 PHE A 72 6.625 -6.614 -4.734 1.00 0.00 H new ATOM 0 HD2 PHE A 72 9.714 -3.681 -4.762 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.119 -5.039 -5.870 1.00 0.00 H new ATOM 0 HE2 PHE A 72 8.212 -2.105 -5.899 1.00 0.00 H new ATOM 0 HZ PHE A 72 5.909 -2.780 -6.452 1.00 0.00 H new ATOM 1096 N LYS A 73 11.782 -7.499 -4.036 1.00 0.00 N ATOM 1097 CA LYS A 73 13.001 -8.079 -3.485 1.00 0.00 C ATOM 1098 C LYS A 73 13.211 -7.636 -2.041 1.00 0.00 C ATOM 1099 O LYS A 73 13.676 -8.411 -1.205 1.00 0.00 O ATOM 1100 CB LYS A 73 14.210 -7.677 -4.334 1.00 0.00 C ATOM 1101 CG LYS A 73 15.541 -8.088 -3.729 1.00 0.00 C ATOM 1102 CD LYS A 73 16.207 -9.186 -4.541 1.00 0.00 C ATOM 1103 CE LYS A 73 16.775 -10.276 -3.644 1.00 0.00 C ATOM 1104 NZ LYS A 73 18.162 -10.651 -4.037 1.00 0.00 N ATOM 0 H LYS A 73 11.856 -6.510 -4.275 1.00 0.00 H new ATOM 0 HA LYS A 73 12.897 -9.164 -3.502 1.00 0.00 H new ATOM 0 HB2 LYS A 73 14.115 -8.127 -5.322 1.00 0.00 H new ATOM 0 HB3 LYS A 73 14.202 -6.596 -4.474 1.00 0.00 H new ATOM 0 HG2 LYS A 73 16.201 -7.222 -3.676 1.00 0.00 H new ATOM 0 HG3 LYS A 73 15.386 -8.433 -2.707 1.00 0.00 H new ATOM 0 HD2 LYS A 73 15.483 -9.621 -5.230 1.00 0.00 H new ATOM 0 HD3 LYS A 73 17.006 -8.758 -5.147 1.00 0.00 H new ATOM 0 HE2 LYS A 73 16.771 -9.934 -2.609 1.00 0.00 H new ATOM 0 HE3 LYS A 73 16.134 -11.156 -3.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 18.513 -11.396 -3.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 18.163 -11.002 -5.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 18.780 -9.817 -3.968 1.00 0.00 H new ATOM 1118 N ALA A 74 12.864 -6.385 -1.754 1.00 0.00 N ATOM 1119 CA ALA A 74 13.011 -5.841 -0.410 1.00 0.00 C ATOM 1120 C ALA A 74 11.659 -5.437 0.170 1.00 0.00 C ATOM 1121 O ALA A 74 10.634 -5.512 -0.508 1.00 0.00 O ATOM 1122 CB ALA A 74 13.958 -4.651 -0.423 1.00 0.00 C ATOM 0 H ALA A 74 12.479 -5.730 -2.435 1.00 0.00 H new ATOM 0 HA ALA A 74 13.432 -6.620 0.226 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.058 -4.255 0.587 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.935 -4.968 -0.787 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.560 -3.876 -1.079 1.00 0.00 H new ATOM 1128 N LYS A 75 11.664 -5.009 1.427 1.00 0.00 N ATOM 1129 CA LYS A 75 10.439 -4.593 2.099 1.00 0.00 C ATOM 1130 C LYS A 75 10.089 -3.150 1.747 1.00 0.00 C ATOM 1131 O LYS A 75 8.978 -2.862 1.302 1.00 0.00 O ATOM 1132 CB LYS A 75 10.590 -4.737 3.615 1.00 0.00 C ATOM 1133 CG LYS A 75 9.284 -4.580 4.374 1.00 0.00 C ATOM 1134 CD LYS A 75 9.139 -3.183 4.954 1.00 0.00 C ATOM 1135 CE LYS A 75 9.548 -3.143 6.419 1.00 0.00 C ATOM 1136 NZ LYS A 75 10.998 -2.842 6.582 1.00 0.00 N ATOM 0 H LYS A 75 12.504 -4.941 2.002 1.00 0.00 H new ATOM 0 HA LYS A 75 9.630 -5.239 1.758 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.015 -5.716 3.838 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.301 -3.992 3.973 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.447 -4.786 3.706 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.239 -5.315 5.178 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.753 -2.486 4.384 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.105 -2.852 4.854 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.959 -2.388 6.940 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.321 -4.102 6.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.237 -2.824 7.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.561 -3.576 6.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.210 -1.916 6.159 1.00 0.00 H new ATOM 1150 N TYR A 76 11.044 -2.249 1.949 1.00 0.00 N ATOM 1151 CA TYR A 76 10.836 -0.836 1.654 1.00 0.00 C ATOM 1152 C TYR A 76 10.474 -0.634 0.186 1.00 0.00 C ATOM 1153 O TYR A 76 9.603 0.171 -0.147 1.00 0.00 O ATOM 1154 CB TYR A 76 12.091 -0.032 1.997 1.00 0.00 C ATOM 1155 CG TYR A 76 13.335 -0.519 1.288 1.00 0.00 C ATOM 1156 CD1 TYR A 76 14.147 -1.492 1.858 1.00 0.00 C ATOM 1157 CD2 TYR A 76 13.699 -0.006 0.050 1.00 0.00 C ATOM 1158 CE1 TYR A 76 15.284 -1.940 1.215 1.00 0.00 C ATOM 1159 CE2 TYR A 76 14.834 -0.449 -0.601 1.00 0.00 C ATOM 1160 CZ TYR A 76 15.623 -1.416 -0.015 1.00 0.00 C ATOM 1161 OH TYR A 76 16.756 -1.858 -0.659 1.00 0.00 O ATOM 0 H TYR A 76 11.969 -2.472 2.316 1.00 0.00 H new ATOM 0 HA TYR A 76 10.007 -0.481 2.266 1.00 0.00 H new ATOM 0 HB2 TYR A 76 11.923 1.014 1.741 1.00 0.00 H new ATOM 0 HB3 TYR A 76 12.256 -0.074 3.074 1.00 0.00 H new ATOM 0 HD1 TYR A 76 13.884 -1.905 2.821 1.00 0.00 H new ATOM 0 HD2 TYR A 76 13.084 0.752 -0.412 1.00 0.00 H new ATOM 0 HE1 TYR A 76 15.904 -2.696 1.673 1.00 0.00 H new ATOM 0 HE2 TYR A 76 15.102 -0.040 -1.564 1.00 0.00 H new ATOM 0 HH TYR A 76 16.850 -1.389 -1.514 1.00 0.00 H new ATOM 1171 N LYS A 77 11.148 -1.371 -0.690 1.00 0.00 N ATOM 1172 CA LYS A 77 10.899 -1.276 -2.123 1.00 0.00 C ATOM 1173 C LYS A 77 9.427 -1.522 -2.437 1.00 0.00 C ATOM 1174 O LYS A 77 8.895 -1.001 -3.418 1.00 0.00 O ATOM 1175 CB LYS A 77 11.768 -2.283 -2.881 1.00 0.00 C ATOM 1176 CG LYS A 77 13.058 -1.689 -3.418 1.00 0.00 C ATOM 1177 CD LYS A 77 13.306 -2.106 -4.859 1.00 0.00 C ATOM 1178 CE LYS A 77 14.736 -2.582 -5.063 1.00 0.00 C ATOM 1179 NZ LYS A 77 14.816 -4.065 -5.178 1.00 0.00 N ATOM 0 H LYS A 77 11.872 -2.042 -0.432 1.00 0.00 H new ATOM 0 HA LYS A 77 11.158 -0.267 -2.445 1.00 0.00 H new ATOM 0 HB2 LYS A 77 12.009 -3.114 -2.218 1.00 0.00 H new ATOM 0 HB3 LYS A 77 11.193 -2.694 -3.711 1.00 0.00 H new ATOM 0 HG2 LYS A 77 13.013 -0.602 -3.355 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.894 -2.010 -2.796 1.00 0.00 H new ATOM 0 HD2 LYS A 77 12.614 -2.902 -5.133 1.00 0.00 H new ATOM 0 HD3 LYS A 77 13.103 -1.265 -5.522 1.00 0.00 H new ATOM 0 HE2 LYS A 77 15.146 -2.125 -5.964 1.00 0.00 H new ATOM 0 HE3 LYS A 77 15.352 -2.249 -4.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 15.750 -4.335 -5.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 14.678 -4.494 -4.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 14.076 -4.403 -5.826 1.00 0.00 H new ATOM 1193 N LEU A 78 8.773 -2.318 -1.597 1.00 0.00 N ATOM 1194 CA LEU A 78 7.360 -2.631 -1.784 1.00 0.00 C ATOM 1195 C LEU A 78 6.488 -1.416 -1.483 1.00 0.00 C ATOM 1196 O LEU A 78 5.656 -1.020 -2.299 1.00 0.00 O ATOM 1197 CB LEU A 78 6.954 -3.800 -0.884 1.00 0.00 C ATOM 1198 CG LEU A 78 5.497 -4.252 -0.989 1.00 0.00 C ATOM 1199 CD1 LEU A 78 4.999 -4.124 -2.420 1.00 0.00 C ATOM 1200 CD2 LEU A 78 5.347 -5.685 -0.497 1.00 0.00 C ATOM 0 H LEU A 78 9.198 -2.758 -0.781 1.00 0.00 H new ATOM 0 HA LEU A 78 7.210 -2.913 -2.826 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.595 -4.651 -1.115 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.154 -3.522 0.151 1.00 0.00 H new ATOM 0 HG LEU A 78 4.890 -3.605 -0.356 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.960 -4.450 -2.474 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.070 -3.084 -2.738 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.609 -4.746 -3.075 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.304 -5.990 -0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.967 -6.345 -1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.663 -5.747 0.544 1.00 0.00 H new ATOM 1212 N VAL A 79 6.686 -0.828 -0.308 1.00 0.00 N ATOM 1213 CA VAL A 79 5.921 0.344 0.099 1.00 0.00 C ATOM 1214 C VAL A 79 6.129 1.501 -0.871 1.00 0.00 C ATOM 1215 O VAL A 79 5.236 2.322 -1.075 1.00 0.00 O ATOM 1216 CB VAL A 79 6.308 0.802 1.518 1.00 0.00 C ATOM 1217 CG1 VAL A 79 6.069 2.296 1.680 1.00 0.00 C ATOM 1218 CG2 VAL A 79 5.532 0.013 2.562 1.00 0.00 C ATOM 0 H VAL A 79 7.370 -1.144 0.379 1.00 0.00 H new ATOM 0 HA VAL A 79 4.870 0.053 0.093 1.00 0.00 H new ATOM 0 HB VAL A 79 7.371 0.610 1.667 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.348 2.602 2.688 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.673 2.842 0.955 1.00 0.00 H new ATOM 0 HG13 VAL A 79 5.015 2.516 1.513 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.818 0.349 3.559 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.463 0.172 2.418 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.758 -1.048 2.458 1.00 0.00 H new ATOM 1228 N ASN A 80 7.315 1.559 -1.468 1.00 0.00 N ATOM 1229 CA ASN A 80 7.642 2.616 -2.418 1.00 0.00 C ATOM 1230 C ASN A 80 6.684 2.595 -3.606 1.00 0.00 C ATOM 1231 O ASN A 80 6.131 3.626 -3.989 1.00 0.00 O ATOM 1232 CB ASN A 80 9.083 2.463 -2.908 1.00 0.00 C ATOM 1233 CG ASN A 80 10.049 3.353 -2.151 1.00 0.00 C ATOM 1234 OD1 ASN A 80 9.637 4.233 -1.395 1.00 0.00 O ATOM 1235 ND2 ASN A 80 11.343 3.128 -2.352 1.00 0.00 N ATOM 0 H ASN A 80 8.066 0.886 -1.311 1.00 0.00 H new ATOM 0 HA ASN A 80 7.539 3.573 -1.907 1.00 0.00 H new ATOM 0 HB2 ASN A 80 9.392 1.423 -2.801 1.00 0.00 H new ATOM 0 HB3 ASN A 80 9.130 2.702 -3.970 1.00 0.00 H new ATOM 0 HD21 ASN A 80 12.040 3.696 -1.870 1.00 0.00 H new ATOM 0 HD22 ASN A 80 11.639 2.387 -2.988 1.00 0.00 H new ATOM 1242 N HIS A 81 6.493 1.413 -4.184 1.00 0.00 N ATOM 1243 CA HIS A 81 5.601 1.257 -5.327 1.00 0.00 C ATOM 1244 C HIS A 81 4.146 1.458 -4.913 1.00 0.00 C ATOM 1245 O HIS A 81 3.372 2.102 -5.622 1.00 0.00 O ATOM 1246 CB HIS A 81 5.779 -0.126 -5.955 1.00 0.00 C ATOM 1247 CG HIS A 81 4.670 -0.508 -6.886 1.00 0.00 C ATOM 1248 ND1 HIS A 81 4.264 0.285 -7.938 1.00 0.00 N ATOM 1249 CD2 HIS A 81 3.882 -1.608 -6.920 1.00 0.00 C ATOM 1250 CE1 HIS A 81 3.273 -0.309 -8.578 1.00 0.00 C ATOM 1251 NE2 HIS A 81 3.022 -1.460 -7.980 1.00 0.00 N ATOM 0 H HIS A 81 6.944 0.550 -3.880 1.00 0.00 H new ATOM 0 HA HIS A 81 5.859 2.018 -6.064 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.723 -0.150 -6.499 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.849 -0.870 -5.162 1.00 0.00 H new ATOM 0 HD1 HIS A 81 4.666 1.190 -8.184 1.00 0.00 H new ATOM 0 HD2 HIS A 81 3.922 -2.446 -6.240 1.00 0.00 H new ATOM 0 HE1 HIS A 81 2.756 0.080 -9.443 1.00 0.00 H new ATOM 1259 N ILE A 82 3.782 0.903 -3.762 1.00 0.00 N ATOM 1260 CA ILE A 82 2.421 1.021 -3.254 1.00 0.00 C ATOM 1261 C ILE A 82 1.921 2.459 -3.352 1.00 0.00 C ATOM 1262 O ILE A 82 0.766 2.703 -3.699 1.00 0.00 O ATOM 1263 CB ILE A 82 2.324 0.554 -1.790 1.00 0.00 C ATOM 1264 CG1 ILE A 82 2.539 -0.958 -1.700 1.00 0.00 C ATOM 1265 CG2 ILE A 82 0.975 0.938 -1.200 1.00 0.00 C ATOM 1266 CD1 ILE A 82 2.916 -1.433 -0.313 1.00 0.00 C ATOM 0 H ILE A 82 4.411 0.367 -3.164 1.00 0.00 H new ATOM 0 HA ILE A 82 1.796 0.378 -3.874 1.00 0.00 H new ATOM 0 HB ILE A 82 3.105 1.049 -1.213 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.627 -1.466 -2.014 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.323 -1.248 -2.400 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.921 0.601 -0.165 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.857 2.021 -1.236 1.00 0.00 H new ATOM 0 HG23 ILE A 82 0.179 0.467 -1.776 1.00 0.00 H new ATOM 0 HD11 ILE A 82 3.053 -2.514 -0.323 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.844 -0.953 -0.004 1.00 0.00 H new ATOM 0 HD13 ILE A 82 2.123 -1.174 0.388 1.00 0.00 H new ATOM 1278 N ARG A 83 2.800 3.407 -3.045 1.00 0.00 N ATOM 1279 CA ARG A 83 2.449 4.821 -3.098 1.00 0.00 C ATOM 1280 C ARG A 83 1.740 5.156 -4.407 1.00 0.00 C ATOM 1281 O ARG A 83 0.701 5.816 -4.412 1.00 0.00 O ATOM 1282 CB ARG A 83 3.702 5.686 -2.948 1.00 0.00 C ATOM 1283 CG ARG A 83 4.612 5.248 -1.813 1.00 0.00 C ATOM 1284 CD ARG A 83 5.680 6.291 -1.521 1.00 0.00 C ATOM 1285 NE ARG A 83 6.121 6.247 -0.129 1.00 0.00 N ATOM 1286 CZ ARG A 83 6.845 7.203 0.442 1.00 0.00 C ATOM 1287 NH1 ARG A 83 7.206 8.272 -0.255 1.00 0.00 N ATOM 1288 NH2 ARG A 83 7.208 7.092 1.714 1.00 0.00 N ATOM 0 H ARG A 83 3.761 3.222 -2.757 1.00 0.00 H new ATOM 0 HA ARG A 83 1.770 5.032 -2.272 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.263 5.663 -3.882 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.401 6.721 -2.783 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.018 5.073 -0.916 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.087 4.301 -2.071 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.535 6.128 -2.178 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.289 7.283 -1.746 1.00 0.00 H new ATOM 0 HE ARG A 83 5.859 5.438 0.435 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.928 8.362 -1.232 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.762 9.005 0.186 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.931 6.272 2.254 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.764 7.827 2.152 1.00 0.00 H new ATOM 1302 N VAL A 84 2.309 4.696 -5.517 1.00 0.00 N ATOM 1303 CA VAL A 84 1.732 4.946 -6.832 1.00 0.00 C ATOM 1304 C VAL A 84 0.241 4.628 -6.848 1.00 0.00 C ATOM 1305 O VAL A 84 -0.527 5.237 -7.594 1.00 0.00 O ATOM 1306 CB VAL A 84 2.435 4.114 -7.921 1.00 0.00 C ATOM 1307 CG1 VAL A 84 1.834 2.719 -7.998 1.00 0.00 C ATOM 1308 CG2 VAL A 84 2.347 4.816 -9.268 1.00 0.00 C ATOM 0 H VAL A 84 3.169 4.148 -5.531 1.00 0.00 H new ATOM 0 HA VAL A 84 1.877 6.005 -7.045 1.00 0.00 H new ATOM 0 HB VAL A 84 3.488 4.016 -7.656 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.343 2.146 -8.773 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.954 2.218 -7.038 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.774 2.793 -8.239 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.849 4.214 -10.025 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.300 4.946 -9.543 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.829 5.792 -9.202 1.00 0.00 H new ATOM 1318 N HIS A 85 -0.163 3.670 -6.019 1.00 0.00 N ATOM 1319 CA HIS A 85 -1.563 3.272 -5.936 1.00 0.00 C ATOM 1320 C HIS A 85 -2.331 4.180 -4.982 1.00 0.00 C ATOM 1321 O HIS A 85 -3.305 4.826 -5.370 1.00 0.00 O ATOM 1322 CB HIS A 85 -1.675 1.818 -5.476 1.00 0.00 C ATOM 1323 CG HIS A 85 -0.925 0.855 -6.344 1.00 0.00 C ATOM 1324 ND1 HIS A 85 -0.565 1.138 -7.645 1.00 0.00 N ATOM 1325 CD2 HIS A 85 -0.466 -0.393 -6.091 1.00 0.00 C ATOM 1326 CE1 HIS A 85 0.082 0.105 -8.155 1.00 0.00 C ATOM 1327 NE2 HIS A 85 0.156 -0.837 -7.232 1.00 0.00 N ATOM 0 H HIS A 85 0.459 3.156 -5.396 1.00 0.00 H new ATOM 0 HA HIS A 85 -2.001 3.366 -6.930 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -1.303 1.739 -4.455 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -2.727 1.532 -5.455 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -0.570 -0.938 -5.164 1.00 0.00 H new ATOM 0 HE1 HIS A 85 0.482 0.042 -9.156 1.00 0.00 H new ATOM 0 HE2 HIS A 85 0.603 -1.747 -7.348 1.00 0.00 H new ATOM 1335 N THR A 86 -1.888 4.226 -3.729 1.00 0.00 N ATOM 1336 CA THR A 86 -2.534 5.053 -2.719 1.00 0.00 C ATOM 1337 C THR A 86 -2.970 6.393 -3.302 1.00 0.00 C ATOM 1338 O THR A 86 -4.074 6.867 -3.036 1.00 0.00 O ATOM 1339 CB THR A 86 -1.601 5.307 -1.520 1.00 0.00 C ATOM 1340 OG1 THR A 86 -0.416 5.981 -1.956 1.00 0.00 O ATOM 1341 CG2 THR A 86 -1.226 3.999 -0.840 1.00 0.00 C ATOM 0 H THR A 86 -1.083 3.699 -3.390 1.00 0.00 H new ATOM 0 HA THR A 86 -3.412 4.506 -2.377 1.00 0.00 H new ATOM 0 HB THR A 86 -2.131 5.933 -0.802 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.222 5.734 -2.884 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.567 4.203 0.004 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.128 3.503 -0.483 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.714 3.352 -1.552 1.00 0.00 H new ATOM 1349 N GLY A 87 -2.095 6.999 -4.099 1.00 0.00 N ATOM 1350 CA GLY A 87 -2.409 8.278 -4.708 1.00 0.00 C ATOM 1351 C GLY A 87 -1.668 9.428 -4.055 1.00 0.00 C ATOM 1352 O GLY A 87 -2.005 10.592 -4.268 1.00 0.00 O ATOM 0 H GLY A 87 -1.175 6.627 -4.334 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.158 8.244 -5.768 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.482 8.456 -4.640 1.00 0.00 H new ATOM 1356 N GLU A 88 -0.656 9.101 -3.257 1.00 0.00 N ATOM 1357 CA GLU A 88 0.133 10.117 -2.569 1.00 0.00 C ATOM 1358 C GLU A 88 1.412 10.426 -3.341 1.00 0.00 C ATOM 1359 O GLU A 88 1.470 10.268 -4.560 1.00 0.00 O ATOM 1360 CB GLU A 88 0.477 9.654 -1.152 1.00 0.00 C ATOM 1361 CG GLU A 88 0.547 10.786 -0.142 1.00 0.00 C ATOM 1362 CD GLU A 88 1.501 10.492 1.000 1.00 0.00 C ATOM 1363 OE1 GLU A 88 2.062 9.377 1.030 1.00 0.00 O ATOM 1364 OE2 GLU A 88 1.685 11.376 1.862 1.00 0.00 O ATOM 0 H GLU A 88 -0.363 8.142 -3.071 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.464 11.027 -2.510 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.270 8.931 -0.824 1.00 0.00 H new ATOM 0 HB3 GLU A 88 1.436 9.136 -1.171 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.861 11.699 -0.647 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.449 10.971 0.260 1.00 0.00 H new