USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 826 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: B 81 ASN : amide:sc= -0.236 K(o=-0.44,f=-4!) USER MOD Set 1.2: B 84 THR OG1 : rot 180:sc= -0.199 USER MOD Set 2.1: A 52 GLN : amide:sc= -10.9! C(o=-15!,f=-11!) USER MOD Set 2.2: B 56 SER OG : rot 52:sc= 2.01 USER MOD Set 2.3: B 64 GLN : amide:sc= -6.11! C(o=-15!,f=-12!) USER MOD Set 3.1: B 51 LYS NZ :NH3+ 161:sc= 0.753 (180deg=0) USER MOD Set 3.2: B 52 CYS SG : rot -70:sc= -3.41! USER MOD Set 4.1: B 45 HIS : no HD1:sc= -0.429 K(o=-0.42,f=-0.93) USER MOD Set 4.2: B 75 THR OG1 : rot -148:sc= 0.00558 USER MOD Set 5.1: B 17 GLN : amide:sc= -1.61! C(o=-3.3!,f=-12!) USER MOD Set 5.2: B 18 LYS NZ :NH3+ -168:sc= -1.64! (180deg=-2.31) USER MOD Set 6.1: B 13 LYS NZ :NH3+ -123:sc= -0.12 (180deg=-0.601) USER MOD Set 6.2: B 25 TYR OH : rot 180:sc= 0.0137 USER MOD Single : B 14 LYS NZ :NH3+ 176:sc= 1.21 (180deg=1.18) USER MOD Single : B 19 LYS NZ :NH3+ 152:sc= -0.459 (180deg=-1.55!) USER MOD Single : B 20 GLN : amide:sc= 0.625 K(o=0.62,f=0) USER MOD Single : B 27 MET CE :methyl 158:sc= 0 (180deg=-0.724) USER MOD Single : B 42 THR OG1 : rot 156:sc= -0.165 USER MOD Single : B 44 SER OG : rot 180:sc= -0.165 USER MOD Single : B 46 MET CE :methyl -157:sc= -0.118 (180deg=-1.28) USER MOD Single : B 47 TYR OH : rot 164:sc= 1.19 USER MOD Single : B 53 GLN : amide:sc= -1.31 X(o=-1.3,f=-1.6) USER MOD Single : B 54 LYS NZ :NH3+ 140:sc= 1.29 (180deg=1.13) USER MOD Single : B 60 LYS NZ :NH3+ -158:sc= -0.0109 (180deg=-0.557) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 GLN : amide:sc= -4.03! C(o=-4!,f=-5.4!) USER MOD Single : B 70 HIS : no HD1:sc= -1.64 K(o=-1.6,f=-0.12) USER MOD Single : B 74 THR OG1 : rot 45:sc= 0.0138 USER MOD Single : B 76 ASN : amide:sc= -2.56 K(o=-2.6,f=-5.1!) USER MOD Single : B 78 HIS : no HE2:sc= -2.2 K(o=-2.2,f=-2.8!) USER MOD Single : B 80 SER OG : rot 46:sc= 0.609 USER MOD Single : B 83 SER OG : rot 180:sc= 0 USER MOD Single : B 87 LYS NZ :NH3+ 140:sc= 1.13 (180deg=-0.846) USER MOD Single : B 93 LYS NZ :NH3+ -174:sc= 2.43 (180deg=2.23) USER MOD Single : B 97 GLN : amide:sc= -0.586 K(o=-0.59,f=0) USER MOD Single : B 98 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : B 102 LYS NZ :NH3+ -118:sc= 1.71 (180deg=-0.984) USER MOD ----------------------------------------------------------------- ATOM 134 N ILE A 50 -0.403 8.388 13.943 1.00 0.00 N ATOM 135 CA ILE A 50 -1.456 7.966 13.089 1.00 0.00 C ATOM 136 C ILE A 50 -2.014 6.595 13.436 1.00 0.00 C ATOM 137 O ILE A 50 -1.369 5.562 13.268 1.00 0.00 O ATOM 138 CB ILE A 50 -0.942 8.034 11.636 1.00 0.00 C ATOM 139 CG1 ILE A 50 -1.385 9.324 10.984 1.00 0.00 C ATOM 140 CG2 ILE A 50 -1.374 6.864 10.799 1.00 0.00 C ATOM 141 CD1 ILE A 50 -0.444 9.767 9.910 1.00 0.00 C ATOM 0 HA ILE A 50 -2.304 8.638 13.223 1.00 0.00 H new ATOM 0 HB ILE A 50 0.146 7.998 11.692 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.381 9.192 10.560 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.462 10.104 11.741 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.979 6.974 9.789 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.994 5.942 11.239 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.463 6.826 10.761 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.804 10.698 9.471 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.546 9.927 10.337 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.387 9.000 9.137 1.00 0.00 H new ATOM 153 N GLU A 51 -3.200 6.642 13.997 1.00 0.00 N ATOM 154 CA GLU A 51 -3.985 5.459 14.305 1.00 0.00 C ATOM 155 C GLU A 51 -5.457 5.826 14.225 1.00 0.00 C ATOM 156 O GLU A 51 -6.320 5.241 14.870 1.00 0.00 O ATOM 157 CB GLU A 51 -3.624 4.801 15.635 1.00 0.00 C ATOM 158 CG GLU A 51 -2.740 3.574 15.453 1.00 0.00 C ATOM 159 CD GLU A 51 -3.197 2.700 14.293 1.00 0.00 C ATOM 160 OE1 GLU A 51 -4.108 1.869 14.491 1.00 0.00 O ATOM 161 OE2 GLU A 51 -2.656 2.851 13.176 1.00 0.00 O ATOM 0 H GLU A 51 -3.658 7.515 14.258 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.750 4.695 13.564 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.111 5.525 16.268 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.538 4.514 16.155 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.711 3.892 15.282 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.744 2.987 16.371 1.00 0.00 H new ATOM 168 N GLN A 52 -5.698 6.838 13.406 1.00 0.00 N ATOM 169 CA GLN A 52 -7.028 7.326 13.100 1.00 0.00 C ATOM 170 C GLN A 52 -7.362 6.778 11.740 1.00 0.00 C ATOM 171 O GLN A 52 -7.114 7.381 10.695 1.00 0.00 O ATOM 172 CB GLN A 52 -7.091 8.866 13.156 1.00 0.00 C ATOM 173 CG GLN A 52 -6.252 9.595 12.102 1.00 0.00 C ATOM 174 CD GLN A 52 -4.761 9.332 12.208 1.00 0.00 C ATOM 175 OE1 GLN A 52 -4.052 10.005 12.952 1.00 0.00 O ATOM 176 NE2 GLN A 52 -4.272 8.355 11.448 1.00 0.00 N ATOM 0 H GLN A 52 -4.958 7.351 12.927 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.761 6.993 13.835 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.131 9.175 13.046 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.765 9.191 14.144 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.593 9.296 11.111 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.428 10.667 12.190 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.895 7.819 10.843 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.275 8.142 11.470 1.00 0.00 H new ATOM 185 N TRP A 53 -7.863 5.579 11.766 1.00 0.00 N ATOM 186 CA TRP A 53 -8.154 4.883 10.559 1.00 0.00 C ATOM 187 C TRP A 53 -9.541 4.313 10.551 1.00 0.00 C ATOM 188 O TRP A 53 -10.310 4.444 11.499 1.00 0.00 O ATOM 189 CB TRP A 53 -7.175 3.722 10.415 1.00 0.00 C ATOM 190 CG TRP A 53 -5.735 4.120 10.372 1.00 0.00 C ATOM 191 CD1 TRP A 53 -4.963 4.579 11.385 1.00 0.00 C ATOM 192 CD2 TRP A 53 -4.904 4.068 9.239 1.00 0.00 C ATOM 193 NE1 TRP A 53 -3.692 4.836 10.933 1.00 0.00 N ATOM 194 CE2 TRP A 53 -3.634 4.527 9.604 1.00 0.00 C ATOM 195 CE3 TRP A 53 -5.131 3.679 7.950 1.00 0.00 C ATOM 196 CZ2 TRP A 53 -2.590 4.606 8.683 1.00 0.00 C ATOM 197 CZ3 TRP A 53 -4.125 3.748 7.050 1.00 0.00 C ATOM 198 CH2 TRP A 53 -2.865 4.208 7.407 1.00 0.00 C ATOM 0 H TRP A 53 -8.078 5.064 12.619 1.00 0.00 H new ATOM 0 HA TRP A 53 -8.068 5.597 9.740 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -7.323 3.035 11.248 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -7.414 3.174 9.503 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -5.298 4.722 12.402 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.921 5.197 11.495 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -6.105 3.320 7.652 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.611 4.965 8.966 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -4.305 3.439 6.031 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -2.086 4.252 6.660 1.00 0.00 H new ATOM 209 N PHE A 54 -9.846 3.740 9.418 1.00 0.00 N ATOM 210 CA PHE A 54 -11.067 3.031 9.200 1.00 0.00 C ATOM 211 C PHE A 54 -10.613 1.664 8.822 1.00 0.00 C ATOM 212 O PHE A 54 -10.265 1.430 7.662 1.00 0.00 O ATOM 213 CB PHE A 54 -11.892 3.632 8.073 1.00 0.00 C ATOM 214 CG PHE A 54 -11.996 5.113 8.145 1.00 0.00 C ATOM 215 CD1 PHE A 54 -12.271 5.737 9.345 1.00 0.00 C ATOM 216 CD2 PHE A 54 -11.829 5.879 7.014 1.00 0.00 C ATOM 217 CE1 PHE A 54 -12.378 7.096 9.416 1.00 0.00 C ATOM 218 CE2 PHE A 54 -11.941 7.238 7.070 1.00 0.00 C ATOM 219 CZ PHE A 54 -12.219 7.858 8.277 1.00 0.00 C ATOM 0 H PHE A 54 -9.233 3.757 8.603 1.00 0.00 H new ATOM 0 HA PHE A 54 -11.711 3.059 10.079 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -11.448 3.352 7.118 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -12.894 3.203 8.097 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -12.403 5.144 10.238 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -11.607 5.400 6.072 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.587 7.574 10.362 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -11.813 7.829 6.175 1.00 0.00 H new ATOM 0 HZ PHE A 54 -12.311 8.933 8.326 1.00 0.00 H new ATOM 246 N GLU A 56 -10.836 -1.067 7.388 1.00 0.00 N ATOM 247 CA GLU A 56 -11.617 -1.760 6.374 1.00 0.00 C ATOM 248 C GLU A 56 -11.683 -3.259 6.637 1.00 0.00 C ATOM 249 O GLU A 56 -12.736 -3.883 6.507 1.00 0.00 O ATOM 250 CB GLU A 56 -10.986 -1.514 5.015 1.00 0.00 C ATOM 251 CG GLU A 56 -11.357 -0.173 4.406 1.00 0.00 C ATOM 252 CD GLU A 56 -11.642 -0.295 2.928 1.00 0.00 C ATOM 253 OE1 GLU A 56 -11.090 -1.223 2.297 1.00 0.00 O ATOM 254 OE2 GLU A 56 -12.418 0.526 2.396 1.00 0.00 O ATOM 0 HA GLU A 56 -12.635 -1.372 6.403 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.902 -1.572 5.111 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.289 -2.309 4.334 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.234 0.228 4.914 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.544 0.536 4.563 1.00 0.00 H new ATOM 261 N ASP A 57 -10.550 -3.826 7.010 1.00 0.00 N ATOM 262 CA ASP A 57 -10.472 -5.244 7.298 1.00 0.00 C ATOM 263 C ASP A 57 -10.037 -5.458 8.742 1.00 0.00 C ATOM 264 O ASP A 57 -9.032 -4.898 9.177 1.00 0.00 O ATOM 265 CB ASP A 57 -9.503 -5.928 6.325 1.00 0.00 C ATOM 266 CG ASP A 57 -9.483 -7.440 6.468 1.00 0.00 C ATOM 267 OD1 ASP A 57 -9.062 -7.938 7.531 1.00 0.00 O ATOM 268 OD2 ASP A 57 -9.883 -8.132 5.512 1.00 0.00 O ATOM 0 H ASP A 57 -9.669 -3.323 7.120 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.457 -5.692 7.167 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -9.781 -5.669 5.303 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -8.498 -5.540 6.490 1.00 0.00 H new ATOM 415 N GLU B 7 2.900 -9.032 -12.331 1.00 0.00 N ATOM 416 CA GLU B 7 2.632 -7.837 -13.108 1.00 0.00 C ATOM 417 C GLU B 7 2.335 -6.657 -12.183 1.00 0.00 C ATOM 418 O GLU B 7 1.893 -6.841 -11.048 1.00 0.00 O ATOM 419 CB GLU B 7 1.479 -8.100 -14.096 1.00 0.00 C ATOM 420 CG GLU B 7 0.228 -7.260 -13.876 1.00 0.00 C ATOM 421 CD GLU B 7 -0.780 -7.948 -12.981 1.00 0.00 C ATOM 422 OE1 GLU B 7 -0.686 -7.781 -11.749 1.00 0.00 O ATOM 423 OE2 GLU B 7 -1.658 -8.660 -13.509 1.00 0.00 O ATOM 0 HA GLU B 7 3.516 -7.577 -13.691 1.00 0.00 H new ATOM 0 HB2 GLU B 7 1.842 -7.922 -15.108 1.00 0.00 H new ATOM 0 HB3 GLU B 7 1.204 -9.153 -14.036 1.00 0.00 H new ATOM 0 HG2 GLU B 7 0.509 -6.304 -13.434 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -0.234 -7.043 -14.839 1.00 0.00 H new ATOM 430 N VAL B 8 2.652 -5.456 -12.645 1.00 0.00 N ATOM 431 CA VAL B 8 2.400 -4.257 -11.870 1.00 0.00 C ATOM 432 C VAL B 8 0.996 -3.755 -12.175 1.00 0.00 C ATOM 433 O VAL B 8 0.708 -3.323 -13.291 1.00 0.00 O ATOM 434 CB VAL B 8 3.429 -3.148 -12.165 1.00 0.00 C ATOM 435 CG1 VAL B 8 3.329 -2.041 -11.128 1.00 0.00 C ATOM 436 CG2 VAL B 8 4.840 -3.718 -12.209 1.00 0.00 C ATOM 0 H VAL B 8 3.084 -5.289 -13.554 1.00 0.00 H new ATOM 0 HA VAL B 8 2.492 -4.510 -10.814 1.00 0.00 H new ATOM 0 HB VAL B 8 3.205 -2.724 -13.144 1.00 0.00 H new ATOM 0 HG11 VAL B 8 4.062 -1.266 -11.351 1.00 0.00 H new ATOM 0 HG12 VAL B 8 2.328 -1.610 -11.151 1.00 0.00 H new ATOM 0 HG13 VAL B 8 3.525 -2.452 -10.137 1.00 0.00 H new ATOM 0 HG21 VAL B 8 5.549 -2.917 -12.419 1.00 0.00 H new ATOM 0 HG22 VAL B 8 5.079 -4.172 -11.247 1.00 0.00 H new ATOM 0 HG23 VAL B 8 4.903 -4.473 -12.993 1.00 0.00 H new ATOM 446 N LEU B 9 0.141 -3.806 -11.173 1.00 0.00 N ATOM 447 CA LEU B 9 -1.243 -3.406 -11.310 1.00 0.00 C ATOM 448 C LEU B 9 -1.401 -1.909 -11.160 1.00 0.00 C ATOM 449 O LEU B 9 -2.166 -1.281 -11.889 1.00 0.00 O ATOM 450 CB LEU B 9 -2.095 -4.112 -10.257 1.00 0.00 C ATOM 451 CG LEU B 9 -2.479 -5.552 -10.585 1.00 0.00 C ATOM 452 CD1 LEU B 9 -3.002 -6.254 -9.345 1.00 0.00 C ATOM 453 CD2 LEU B 9 -3.523 -5.588 -11.689 1.00 0.00 C ATOM 0 H LEU B 9 0.389 -4.128 -10.237 1.00 0.00 H new ATOM 0 HA LEU B 9 -1.576 -3.690 -12.309 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -1.553 -4.105 -9.311 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -3.008 -3.536 -10.106 1.00 0.00 H new ATOM 0 HG LEU B 9 -1.588 -6.075 -10.934 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -3.272 -7.280 -9.594 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -2.229 -6.259 -8.576 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -3.881 -5.728 -8.973 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.784 -6.623 -11.909 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -4.414 -5.050 -11.365 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -3.121 -5.117 -12.586 1.00 0.00 H new ATOM 465 N LEU B 10 -0.681 -1.329 -10.214 1.00 0.00 N ATOM 466 CA LEU B 10 -0.799 0.095 -9.991 1.00 0.00 C ATOM 467 C LEU B 10 0.535 0.726 -9.648 1.00 0.00 C ATOM 468 O LEU B 10 1.239 0.267 -8.749 1.00 0.00 O ATOM 469 CB LEU B 10 -1.758 0.369 -8.843 1.00 0.00 C ATOM 470 CG LEU B 10 -2.543 1.680 -8.959 1.00 0.00 C ATOM 471 CD1 LEU B 10 -3.468 1.646 -10.167 1.00 0.00 C ATOM 472 CD2 LEU B 10 -3.338 1.947 -7.692 1.00 0.00 C ATOM 0 H LEU B 10 -0.023 -1.813 -9.602 1.00 0.00 H new ATOM 0 HA LEU B 10 -1.171 0.530 -10.919 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.466 -0.457 -8.775 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -1.193 0.382 -7.911 1.00 0.00 H new ATOM 0 HG LEU B 10 -1.828 2.492 -9.093 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -4.016 2.586 -10.232 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -2.878 1.507 -11.073 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -4.173 0.821 -10.062 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.887 2.883 -7.797 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -4.041 1.131 -7.525 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -2.657 2.019 -6.844 1.00 0.00 H new ATOM 484 N ILE B 11 0.881 1.763 -10.382 1.00 0.00 N ATOM 485 CA ILE B 11 2.096 2.513 -10.122 1.00 0.00 C ATOM 486 C ILE B 11 1.725 3.887 -9.585 1.00 0.00 C ATOM 487 O ILE B 11 1.239 4.741 -10.326 1.00 0.00 O ATOM 488 CB ILE B 11 2.965 2.686 -11.387 1.00 0.00 C ATOM 489 CG1 ILE B 11 3.380 1.320 -11.937 1.00 0.00 C ATOM 490 CG2 ILE B 11 4.189 3.542 -11.072 1.00 0.00 C ATOM 491 CD1 ILE B 11 4.281 1.394 -13.151 1.00 0.00 C ATOM 0 H ILE B 11 0.334 2.109 -11.170 1.00 0.00 H new ATOM 0 HA ILE B 11 2.681 1.951 -9.394 1.00 0.00 H new ATOM 0 HB ILE B 11 2.379 3.196 -12.152 1.00 0.00 H new ATOM 0 HG12 ILE B 11 3.891 0.763 -11.151 1.00 0.00 H new ATOM 0 HG13 ILE B 11 2.484 0.756 -12.196 1.00 0.00 H new ATOM 0 HG21 ILE B 11 4.794 3.657 -11.971 1.00 0.00 H new ATOM 0 HG22 ILE B 11 3.867 4.523 -10.724 1.00 0.00 H new ATOM 0 HG23 ILE B 11 4.782 3.058 -10.296 1.00 0.00 H new ATOM 0 HD11 ILE B 11 4.531 0.386 -13.481 1.00 0.00 H new ATOM 0 HD12 ILE B 11 3.767 1.921 -13.954 1.00 0.00 H new ATOM 0 HD13 ILE B 11 5.195 1.928 -12.893 1.00 0.00 H new ATOM 503 N VAL B 12 1.941 4.095 -8.300 1.00 0.00 N ATOM 504 CA VAL B 12 1.625 5.367 -7.674 1.00 0.00 C ATOM 505 C VAL B 12 2.893 6.028 -7.168 1.00 0.00 C ATOM 506 O VAL B 12 3.539 5.521 -6.260 1.00 0.00 O ATOM 507 CB VAL B 12 0.646 5.194 -6.495 1.00 0.00 C ATOM 508 CG1 VAL B 12 0.293 6.544 -5.890 1.00 0.00 C ATOM 509 CG2 VAL B 12 -0.611 4.460 -6.940 1.00 0.00 C ATOM 0 H VAL B 12 2.335 3.399 -7.667 1.00 0.00 H new ATOM 0 HA VAL B 12 1.151 5.993 -8.430 1.00 0.00 H new ATOM 0 HB VAL B 12 1.137 4.593 -5.730 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -0.399 6.401 -5.060 1.00 0.00 H new ATOM 0 HG12 VAL B 12 1.200 7.029 -5.528 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -0.175 7.171 -6.648 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -1.287 4.349 -6.092 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -1.106 5.030 -7.727 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -0.342 3.475 -7.320 1.00 0.00 H new ATOM 519 N LYS B 13 3.257 7.151 -7.756 1.00 0.00 N ATOM 520 CA LYS B 13 4.462 7.847 -7.340 1.00 0.00 C ATOM 521 C LYS B 13 4.150 8.894 -6.278 1.00 0.00 C ATOM 522 O LYS B 13 2.984 9.169 -5.986 1.00 0.00 O ATOM 523 CB LYS B 13 5.171 8.470 -8.543 1.00 0.00 C ATOM 524 CG LYS B 13 5.851 7.433 -9.428 1.00 0.00 C ATOM 525 CD LYS B 13 6.928 8.049 -10.306 1.00 0.00 C ATOM 526 CE LYS B 13 7.948 7.007 -10.748 1.00 0.00 C ATOM 527 NZ LYS B 13 8.725 6.463 -9.599 1.00 0.00 N ATOM 0 H LYS B 13 2.743 7.598 -8.515 1.00 0.00 H new ATOM 0 HA LYS B 13 5.138 7.118 -6.894 1.00 0.00 H new ATOM 0 HB2 LYS B 13 4.447 9.029 -9.136 1.00 0.00 H new ATOM 0 HB3 LYS B 13 5.915 9.185 -8.191 1.00 0.00 H new ATOM 0 HG2 LYS B 13 6.293 6.657 -8.803 1.00 0.00 H new ATOM 0 HG3 LYS B 13 5.104 6.948 -10.057 1.00 0.00 H new ATOM 0 HD2 LYS B 13 6.468 8.505 -11.183 1.00 0.00 H new ATOM 0 HD3 LYS B 13 7.433 8.846 -9.760 1.00 0.00 H new ATOM 0 HE2 LYS B 13 7.435 6.191 -11.257 1.00 0.00 H new ATOM 0 HE3 LYS B 13 8.632 7.453 -11.470 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 9.741 6.613 -9.764 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 8.441 6.951 -8.726 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 8.537 5.445 -9.504 1.00 0.00 H new ATOM 541 N LYS B 14 5.209 9.468 -5.714 1.00 0.00 N ATOM 542 CA LYS B 14 5.115 10.471 -4.662 1.00 0.00 C ATOM 543 C LYS B 14 4.507 9.891 -3.385 1.00 0.00 C ATOM 544 O LYS B 14 3.778 10.572 -2.657 1.00 0.00 O ATOM 545 CB LYS B 14 4.326 11.674 -5.158 1.00 0.00 C ATOM 546 CG LYS B 14 5.190 12.747 -5.805 1.00 0.00 C ATOM 547 CD LYS B 14 4.465 14.083 -5.908 1.00 0.00 C ATOM 548 CE LYS B 14 4.546 14.868 -4.606 1.00 0.00 C ATOM 549 NZ LYS B 14 4.073 16.269 -4.767 1.00 0.00 N ATOM 0 H LYS B 14 6.168 9.245 -5.980 1.00 0.00 H new ATOM 0 HA LYS B 14 6.123 10.800 -4.410 1.00 0.00 H new ATOM 0 HB2 LYS B 14 3.581 11.337 -5.878 1.00 0.00 H new ATOM 0 HB3 LYS B 14 3.784 12.113 -4.320 1.00 0.00 H new ATOM 0 HG2 LYS B 14 6.104 12.875 -5.224 1.00 0.00 H new ATOM 0 HG3 LYS B 14 5.488 12.420 -6.801 1.00 0.00 H new ATOM 0 HD2 LYS B 14 4.900 14.672 -6.716 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.420 13.911 -6.165 1.00 0.00 H new ATOM 0 HE2 LYS B 14 3.947 14.369 -3.844 1.00 0.00 H new ATOM 0 HE3 LYS B 14 5.576 14.872 -4.249 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 4.081 16.747 -3.843 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 4.701 16.774 -5.424 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 3.105 16.267 -5.147 1.00 0.00 H new ATOM 563 N VAL B 15 4.816 8.627 -3.116 1.00 0.00 N ATOM 564 CA VAL B 15 4.335 7.957 -1.914 1.00 0.00 C ATOM 565 C VAL B 15 5.486 7.844 -0.930 1.00 0.00 C ATOM 566 O VAL B 15 6.527 7.282 -1.258 1.00 0.00 O ATOM 567 CB VAL B 15 3.757 6.549 -2.211 1.00 0.00 C ATOM 568 CG1 VAL B 15 3.140 5.946 -0.955 1.00 0.00 C ATOM 569 CG2 VAL B 15 2.725 6.631 -3.322 1.00 0.00 C ATOM 0 H VAL B 15 5.399 8.045 -3.717 1.00 0.00 H new ATOM 0 HA VAL B 15 3.522 8.551 -1.496 1.00 0.00 H new ATOM 0 HB VAL B 15 4.571 5.901 -2.536 1.00 0.00 H new ATOM 0 HG11 VAL B 15 2.740 4.958 -1.184 1.00 0.00 H new ATOM 0 HG12 VAL B 15 3.903 5.858 -0.181 1.00 0.00 H new ATOM 0 HG13 VAL B 15 2.335 6.590 -0.600 1.00 0.00 H new ATOM 0 HG21 VAL B 15 2.326 5.637 -3.522 1.00 0.00 H new ATOM 0 HG22 VAL B 15 1.914 7.293 -3.017 1.00 0.00 H new ATOM 0 HG23 VAL B 15 3.193 7.023 -4.225 1.00 0.00 H new ATOM 579 N ARG B 16 5.310 8.385 0.263 1.00 0.00 N ATOM 580 CA ARG B 16 6.356 8.363 1.263 1.00 0.00 C ATOM 581 C ARG B 16 6.181 7.226 2.244 1.00 0.00 C ATOM 582 O ARG B 16 5.065 6.857 2.611 1.00 0.00 O ATOM 583 CB ARG B 16 6.417 9.697 2.004 1.00 0.00 C ATOM 584 CG ARG B 16 7.001 10.799 1.145 1.00 0.00 C ATOM 585 CD ARG B 16 6.771 12.184 1.713 1.00 0.00 C ATOM 586 NE ARG B 16 7.749 13.129 1.173 1.00 0.00 N ATOM 587 CZ ARG B 16 7.605 14.447 1.160 1.00 0.00 C ATOM 588 NH1 ARG B 16 6.528 15.015 1.694 1.00 0.00 N ATOM 589 NH2 ARG B 16 8.550 15.192 0.601 1.00 0.00 N ATOM 0 H ARG B 16 4.450 8.845 0.560 1.00 0.00 H new ATOM 0 HA ARG B 16 7.299 8.202 0.740 1.00 0.00 H new ATOM 0 HB2 ARG B 16 5.414 9.980 2.324 1.00 0.00 H new ATOM 0 HB3 ARG B 16 7.019 9.583 2.906 1.00 0.00 H new ATOM 0 HG2 ARG B 16 8.072 10.633 1.032 1.00 0.00 H new ATOM 0 HG3 ARG B 16 6.563 10.745 0.148 1.00 0.00 H new ATOM 0 HD2 ARG B 16 5.762 12.519 1.473 1.00 0.00 H new ATOM 0 HD3 ARG B 16 6.847 12.155 2.800 1.00 0.00 H new ATOM 0 HE ARG B 16 8.607 12.745 0.776 1.00 0.00 H new ATOM 0 HH11 ARG B 16 5.804 14.436 2.119 1.00 0.00 H new ATOM 0 HH12 ARG B 16 6.426 16.030 1.679 1.00 0.00 H new ATOM 0 HH21 ARG B 16 9.372 14.749 0.190 1.00 0.00 H new ATOM 0 HH22 ARG B 16 8.455 16.207 0.583 1.00 0.00 H new ATOM 603 N GLN B 17 7.303 6.663 2.634 1.00 0.00 N ATOM 604 CA GLN B 17 7.337 5.584 3.590 1.00 0.00 C ATOM 605 C GLN B 17 8.566 5.767 4.467 1.00 0.00 C ATOM 606 O GLN B 17 9.683 5.507 4.036 1.00 0.00 O ATOM 607 CB GLN B 17 7.370 4.233 2.869 1.00 0.00 C ATOM 608 CG GLN B 17 6.776 3.084 3.669 1.00 0.00 C ATOM 609 CD GLN B 17 7.512 2.837 4.970 1.00 0.00 C ATOM 610 OE1 GLN B 17 7.074 3.264 6.040 1.00 0.00 O ATOM 611 NE2 GLN B 17 8.655 2.182 4.879 1.00 0.00 N ATOM 0 H GLN B 17 8.222 6.944 2.293 1.00 0.00 H new ATOM 0 HA GLN B 17 6.440 5.599 4.210 1.00 0.00 H new ATOM 0 HB2 GLN B 17 6.829 4.323 1.927 1.00 0.00 H new ATOM 0 HB3 GLN B 17 8.404 3.992 2.621 1.00 0.00 H new ATOM 0 HG2 GLN B 17 5.729 3.299 3.883 1.00 0.00 H new ATOM 0 HG3 GLN B 17 6.798 2.177 3.066 1.00 0.00 H new ATOM 0 HE21 GLN B 17 8.980 1.846 3.972 1.00 0.00 H new ATOM 0 HE22 GLN B 17 9.213 2.012 5.716 1.00 0.00 H new ATOM 620 N LYS B 18 8.332 6.222 5.690 1.00 0.00 N ATOM 621 CA LYS B 18 9.385 6.483 6.671 1.00 0.00 C ATOM 622 C LYS B 18 10.165 7.745 6.317 1.00 0.00 C ATOM 623 O LYS B 18 11.391 7.728 6.194 1.00 0.00 O ATOM 624 CB LYS B 18 10.333 5.286 6.836 1.00 0.00 C ATOM 625 CG LYS B 18 9.726 4.120 7.606 1.00 0.00 C ATOM 626 CD LYS B 18 9.277 4.534 9.002 1.00 0.00 C ATOM 627 CE LYS B 18 7.768 4.401 9.175 1.00 0.00 C ATOM 628 NZ LYS B 18 7.014 5.172 8.149 1.00 0.00 N ATOM 0 H LYS B 18 7.394 6.424 6.037 1.00 0.00 H new ATOM 0 HA LYS B 18 8.892 6.640 7.630 1.00 0.00 H new ATOM 0 HB2 LYS B 18 10.638 4.938 5.849 1.00 0.00 H new ATOM 0 HB3 LYS B 18 11.235 5.618 7.350 1.00 0.00 H new ATOM 0 HG2 LYS B 18 8.874 3.724 7.053 1.00 0.00 H new ATOM 0 HG3 LYS B 18 10.458 3.316 7.683 1.00 0.00 H new ATOM 0 HD2 LYS B 18 9.784 3.917 9.744 1.00 0.00 H new ATOM 0 HD3 LYS B 18 9.575 5.566 9.188 1.00 0.00 H new ATOM 0 HE2 LYS B 18 7.488 3.349 9.115 1.00 0.00 H new ATOM 0 HE3 LYS B 18 7.486 4.749 10.169 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 6.011 5.222 8.420 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 7.403 6.134 8.083 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 7.101 4.699 7.227 1.00 0.00 H new ATOM 642 N LYS B 19 9.412 8.834 6.145 1.00 0.00 N ATOM 643 CA LYS B 19 9.965 10.159 5.856 1.00 0.00 C ATOM 644 C LYS B 19 10.797 10.201 4.572 1.00 0.00 C ATOM 645 O LYS B 19 11.766 10.952 4.481 1.00 0.00 O ATOM 646 CB LYS B 19 10.810 10.643 7.042 1.00 0.00 C ATOM 647 CG LYS B 19 10.641 12.125 7.351 1.00 0.00 C ATOM 648 CD LYS B 19 10.008 12.353 8.719 1.00 0.00 C ATOM 649 CE LYS B 19 8.558 11.895 8.760 1.00 0.00 C ATOM 650 NZ LYS B 19 8.429 10.478 9.189 1.00 0.00 N ATOM 0 H LYS B 19 8.394 8.821 6.203 1.00 0.00 H new ATOM 0 HA LYS B 19 9.116 10.825 5.700 1.00 0.00 H new ATOM 0 HB2 LYS B 19 10.544 10.064 7.926 1.00 0.00 H new ATOM 0 HB3 LYS B 19 11.861 10.442 6.834 1.00 0.00 H new ATOM 0 HG2 LYS B 19 11.613 12.616 7.315 1.00 0.00 H new ATOM 0 HG3 LYS B 19 10.021 12.587 6.583 1.00 0.00 H new ATOM 0 HD2 LYS B 19 10.579 11.816 9.477 1.00 0.00 H new ATOM 0 HD3 LYS B 19 10.061 13.412 8.971 1.00 0.00 H new ATOM 0 HE2 LYS B 19 7.997 12.532 9.443 1.00 0.00 H new ATOM 0 HE3 LYS B 19 8.112 12.016 7.773 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 7.508 10.338 9.651 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 8.498 9.856 8.358 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 9.191 10.247 9.858 1.00 0.00 H new ATOM 664 N GLN B 20 10.410 9.419 3.577 1.00 0.00 N ATOM 665 CA GLN B 20 11.126 9.406 2.308 1.00 0.00 C ATOM 666 C GLN B 20 10.150 9.138 1.177 1.00 0.00 C ATOM 667 O GLN B 20 9.358 8.195 1.238 1.00 0.00 O ATOM 668 CB GLN B 20 12.260 8.374 2.319 1.00 0.00 C ATOM 669 CG GLN B 20 11.812 6.970 2.675 1.00 0.00 C ATOM 670 CD GLN B 20 12.949 6.097 3.159 1.00 0.00 C ATOM 671 OE1 GLN B 20 13.585 5.391 2.379 1.00 0.00 O ATOM 672 NE2 GLN B 20 13.214 6.142 4.455 1.00 0.00 N ATOM 0 H GLN B 20 9.610 8.788 3.621 1.00 0.00 H new ATOM 0 HA GLN B 20 11.585 10.383 2.154 1.00 0.00 H new ATOM 0 HB2 GLN B 20 12.731 8.356 1.336 1.00 0.00 H new ATOM 0 HB3 GLN B 20 13.021 8.693 3.031 1.00 0.00 H new ATOM 0 HG2 GLN B 20 11.046 7.023 3.449 1.00 0.00 H new ATOM 0 HG3 GLN B 20 11.352 6.508 1.802 1.00 0.00 H new ATOM 0 HE21 GLN B 20 12.662 6.742 5.068 1.00 0.00 H new ATOM 0 HE22 GLN B 20 13.971 5.577 4.841 1.00 0.00 H new ATOM 681 N ASP B 21 10.187 9.987 0.164 1.00 0.00 N ATOM 682 CA ASP B 21 9.285 9.858 -0.970 1.00 0.00 C ATOM 683 C ASP B 21 9.806 8.906 -2.030 1.00 0.00 C ATOM 684 O ASP B 21 10.986 8.897 -2.381 1.00 0.00 O ATOM 685 CB ASP B 21 8.949 11.229 -1.581 1.00 0.00 C ATOM 686 CG ASP B 21 10.045 12.259 -1.398 1.00 0.00 C ATOM 687 OD1 ASP B 21 10.943 12.341 -2.249 1.00 0.00 O ATOM 688 OD2 ASP B 21 9.992 12.995 -0.381 1.00 0.00 O ATOM 0 H ASP B 21 10.833 10.774 0.103 1.00 0.00 H new ATOM 0 HA ASP B 21 8.365 9.423 -0.579 1.00 0.00 H new ATOM 0 HB2 ASP B 21 8.753 11.105 -2.646 1.00 0.00 H new ATOM 0 HB3 ASP B 21 8.031 11.604 -1.129 1.00 0.00 H new ATOM 693 N GLY B 22 8.896 8.067 -2.493 1.00 0.00 N ATOM 694 CA GLY B 22 9.193 7.103 -3.518 1.00 0.00 C ATOM 695 C GLY B 22 7.968 6.798 -4.339 1.00 0.00 C ATOM 696 O GLY B 22 7.337 7.705 -4.886 1.00 0.00 O ATOM 0 H GLY B 22 7.931 8.041 -2.163 1.00 0.00 H new ATOM 0 HA2 GLY B 22 9.983 7.485 -4.164 1.00 0.00 H new ATOM 0 HA3 GLY B 22 9.569 6.186 -3.063 1.00 0.00 H new ATOM 700 N ALA B 23 7.592 5.534 -4.388 1.00 0.00 N ATOM 701 CA ALA B 23 6.441 5.127 -5.157 1.00 0.00 C ATOM 702 C ALA B 23 5.884 3.811 -4.650 1.00 0.00 C ATOM 703 O ALA B 23 6.633 2.916 -4.254 1.00 0.00 O ATOM 704 CB ALA B 23 6.814 5.022 -6.620 1.00 0.00 C ATOM 0 H ALA B 23 8.070 4.774 -3.903 1.00 0.00 H new ATOM 0 HA ALA B 23 5.662 5.881 -5.043 1.00 0.00 H new ATOM 0 HB1 ALA B 23 5.942 4.714 -7.197 1.00 0.00 H new ATOM 0 HB2 ALA B 23 7.162 5.991 -6.977 1.00 0.00 H new ATOM 0 HB3 ALA B 23 7.608 4.285 -6.741 1.00 0.00 H new ATOM 710 N LEU B 24 4.569 3.703 -4.683 1.00 0.00 N ATOM 711 CA LEU B 24 3.878 2.515 -4.231 1.00 0.00 C ATOM 712 C LEU B 24 3.471 1.705 -5.456 1.00 0.00 C ATOM 713 O LEU B 24 2.736 2.188 -6.320 1.00 0.00 O ATOM 714 CB LEU B 24 2.643 2.918 -3.411 1.00 0.00 C ATOM 715 CG LEU B 24 2.229 1.962 -2.283 1.00 0.00 C ATOM 716 CD1 LEU B 24 0.837 2.308 -1.783 1.00 0.00 C ATOM 717 CD2 LEU B 24 2.286 0.513 -2.729 1.00 0.00 C ATOM 0 H LEU B 24 3.951 4.439 -5.025 1.00 0.00 H new ATOM 0 HA LEU B 24 4.526 1.912 -3.595 1.00 0.00 H new ATOM 0 HB2 LEU B 24 2.828 3.900 -2.976 1.00 0.00 H new ATOM 0 HB3 LEU B 24 1.800 3.026 -4.094 1.00 0.00 H new ATOM 0 HG LEU B 24 2.940 2.084 -1.466 1.00 0.00 H new ATOM 0 HD11 LEU B 24 0.557 1.622 -0.984 1.00 0.00 H new ATOM 0 HD12 LEU B 24 0.830 3.330 -1.404 1.00 0.00 H new ATOM 0 HD13 LEU B 24 0.124 2.221 -2.603 1.00 0.00 H new ATOM 0 HD21 LEU B 24 1.986 -0.134 -1.904 1.00 0.00 H new ATOM 0 HD22 LEU B 24 1.610 0.365 -3.571 1.00 0.00 H new ATOM 0 HD23 LEU B 24 3.303 0.266 -3.033 1.00 0.00 H new ATOM 729 N TYR B 25 3.972 0.487 -5.535 1.00 0.00 N ATOM 730 CA TYR B 25 3.683 -0.388 -6.664 1.00 0.00 C ATOM 731 C TYR B 25 2.826 -1.578 -6.246 1.00 0.00 C ATOM 732 O TYR B 25 3.206 -2.354 -5.367 1.00 0.00 O ATOM 733 CB TYR B 25 4.985 -0.897 -7.296 1.00 0.00 C ATOM 734 CG TYR B 25 5.940 0.196 -7.727 1.00 0.00 C ATOM 735 CD1 TYR B 25 6.867 0.727 -6.838 1.00 0.00 C ATOM 736 CD2 TYR B 25 5.923 0.688 -9.025 1.00 0.00 C ATOM 737 CE1 TYR B 25 7.746 1.718 -7.231 1.00 0.00 C ATOM 738 CE2 TYR B 25 6.800 1.680 -9.426 1.00 0.00 C ATOM 739 CZ TYR B 25 7.708 2.192 -8.524 1.00 0.00 C ATOM 740 OH TYR B 25 8.583 3.183 -8.919 1.00 0.00 O ATOM 0 H TYR B 25 4.584 0.076 -4.830 1.00 0.00 H new ATOM 0 HA TYR B 25 3.127 0.199 -7.395 1.00 0.00 H new ATOM 0 HB2 TYR B 25 5.492 -1.545 -6.581 1.00 0.00 H new ATOM 0 HB3 TYR B 25 4.738 -1.510 -8.163 1.00 0.00 H new ATOM 0 HD1 TYR B 25 6.901 0.359 -5.823 1.00 0.00 H new ATOM 0 HD2 TYR B 25 5.213 0.289 -9.734 1.00 0.00 H new ATOM 0 HE1 TYR B 25 8.460 2.119 -6.527 1.00 0.00 H new ATOM 0 HE2 TYR B 25 6.773 2.051 -10.440 1.00 0.00 H new ATOM 0 HH TYR B 25 8.425 3.402 -9.861 1.00 0.00 H new ATOM 750 N LEU B 26 1.667 -1.716 -6.873 1.00 0.00 N ATOM 751 CA LEU B 26 0.772 -2.830 -6.583 1.00 0.00 C ATOM 752 C LEU B 26 1.024 -3.949 -7.576 1.00 0.00 C ATOM 753 O LEU B 26 1.165 -3.688 -8.768 1.00 0.00 O ATOM 754 CB LEU B 26 -0.700 -2.416 -6.680 1.00 0.00 C ATOM 755 CG LEU B 26 -1.104 -1.190 -5.870 1.00 0.00 C ATOM 756 CD1 LEU B 26 -2.614 -1.044 -5.849 1.00 0.00 C ATOM 757 CD2 LEU B 26 -0.574 -1.277 -4.462 1.00 0.00 C ATOM 0 H LEU B 26 1.323 -1.072 -7.585 1.00 0.00 H new ATOM 0 HA LEU B 26 0.973 -3.160 -5.564 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -0.936 -2.229 -7.728 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -1.315 -3.257 -6.360 1.00 0.00 H new ATOM 0 HG LEU B 26 -0.670 -0.312 -6.348 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -2.886 -0.164 -5.267 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.983 -0.933 -6.869 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -3.059 -1.930 -5.397 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -0.876 -0.390 -3.904 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -0.976 -2.166 -3.976 1.00 0.00 H new ATOM 0 HD23 LEU B 26 0.514 -1.338 -4.486 1.00 0.00 H new ATOM 769 N MET B 27 1.093 -5.179 -7.092 1.00 0.00 N ATOM 770 CA MET B 27 1.314 -6.330 -7.959 1.00 0.00 C ATOM 771 C MET B 27 0.230 -7.371 -7.730 1.00 0.00 C ATOM 772 O MET B 27 -0.387 -7.413 -6.666 1.00 0.00 O ATOM 773 CB MET B 27 2.687 -6.964 -7.717 1.00 0.00 C ATOM 774 CG MET B 27 3.845 -5.982 -7.773 1.00 0.00 C ATOM 775 SD MET B 27 5.397 -6.713 -7.222 1.00 0.00 S ATOM 776 CE MET B 27 6.513 -5.329 -7.423 1.00 0.00 C ATOM 0 H MET B 27 0.999 -5.408 -6.102 1.00 0.00 H new ATOM 0 HA MET B 27 1.278 -5.977 -8.990 1.00 0.00 H new ATOM 0 HB2 MET B 27 2.684 -7.449 -6.741 1.00 0.00 H new ATOM 0 HB3 MET B 27 2.851 -7.744 -8.460 1.00 0.00 H new ATOM 0 HG2 MET B 27 3.960 -5.619 -8.794 1.00 0.00 H new ATOM 0 HG3 MET B 27 3.614 -5.117 -7.152 1.00 0.00 H new ATOM 0 HE1 MET B 27 7.386 -5.470 -6.786 1.00 0.00 H new ATOM 0 HE2 MET B 27 6.829 -5.265 -8.464 1.00 0.00 H new ATOM 0 HE3 MET B 27 6.004 -4.407 -7.141 1.00 0.00 H new ATOM 786 N ALA B 28 0.028 -8.208 -8.729 1.00 0.00 N ATOM 787 CA ALA B 28 -0.987 -9.261 -8.707 1.00 0.00 C ATOM 788 C ALA B 28 -0.984 -10.106 -7.432 1.00 0.00 C ATOM 789 O ALA B 28 -2.044 -10.389 -6.860 1.00 0.00 O ATOM 790 CB ALA B 28 -0.778 -10.173 -9.899 1.00 0.00 C ATOM 0 H ALA B 28 0.568 -8.181 -9.594 1.00 0.00 H new ATOM 0 HA ALA B 28 -1.953 -8.758 -8.744 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -1.531 -10.961 -9.890 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -0.868 -9.596 -10.819 1.00 0.00 H new ATOM 0 HB3 ALA B 28 0.215 -10.619 -9.846 1.00 0.00 H new ATOM 796 N GLU B 29 0.197 -10.515 -6.994 1.00 0.00 N ATOM 797 CA GLU B 29 0.314 -11.373 -5.823 1.00 0.00 C ATOM 798 C GLU B 29 0.808 -10.634 -4.580 1.00 0.00 C ATOM 799 O GLU B 29 0.727 -11.165 -3.462 1.00 0.00 O ATOM 800 CB GLU B 29 1.266 -12.532 -6.141 1.00 0.00 C ATOM 801 CG GLU B 29 0.576 -13.851 -6.479 1.00 0.00 C ATOM 802 CD GLU B 29 -0.592 -13.701 -7.438 1.00 0.00 C ATOM 803 OE1 GLU B 29 -0.426 -13.079 -8.501 1.00 0.00 O ATOM 804 OE2 GLU B 29 -1.691 -14.205 -7.121 1.00 0.00 O ATOM 0 H GLU B 29 1.086 -10.268 -7.429 1.00 0.00 H new ATOM 0 HA GLU B 29 -0.686 -11.740 -5.594 1.00 0.00 H new ATOM 0 HB2 GLU B 29 1.900 -12.244 -6.980 1.00 0.00 H new ATOM 0 HB3 GLU B 29 1.922 -12.690 -5.285 1.00 0.00 H new ATOM 0 HG2 GLU B 29 1.307 -14.532 -6.915 1.00 0.00 H new ATOM 0 HG3 GLU B 29 0.221 -14.312 -5.557 1.00 0.00 H new ATOM 811 N ARG B 30 1.262 -9.397 -4.733 1.00 0.00 N ATOM 812 CA ARG B 30 1.796 -8.685 -3.573 1.00 0.00 C ATOM 813 C ARG B 30 1.879 -7.181 -3.771 1.00 0.00 C ATOM 814 O ARG B 30 1.641 -6.662 -4.853 1.00 0.00 O ATOM 815 CB ARG B 30 3.195 -9.214 -3.247 1.00 0.00 C ATOM 816 CG ARG B 30 4.267 -8.723 -4.206 1.00 0.00 C ATOM 817 CD ARG B 30 5.607 -9.373 -3.921 1.00 0.00 C ATOM 818 NE ARG B 30 5.889 -10.462 -4.847 1.00 0.00 N ATOM 819 CZ ARG B 30 6.928 -11.277 -4.743 1.00 0.00 C ATOM 820 NH1 ARG B 30 7.791 -11.141 -3.741 1.00 0.00 N ATOM 821 NH2 ARG B 30 7.107 -12.227 -5.649 1.00 0.00 N ATOM 0 H ARG B 30 1.274 -8.879 -5.612 1.00 0.00 H new ATOM 0 HA ARG B 30 1.100 -8.866 -2.754 1.00 0.00 H new ATOM 0 HB2 ARG B 30 3.461 -8.915 -2.233 1.00 0.00 H new ATOM 0 HB3 ARG B 30 3.176 -10.304 -3.263 1.00 0.00 H new ATOM 0 HG2 ARG B 30 3.967 -8.940 -5.231 1.00 0.00 H new ATOM 0 HG3 ARG B 30 4.362 -7.640 -4.124 1.00 0.00 H new ATOM 0 HD2 ARG B 30 6.396 -8.624 -3.990 1.00 0.00 H new ATOM 0 HD3 ARG B 30 5.616 -9.753 -2.899 1.00 0.00 H new ATOM 0 HE ARG B 30 5.245 -10.606 -5.625 1.00 0.00 H new ATOM 0 HH11 ARG B 30 7.655 -10.406 -3.047 1.00 0.00 H new ATOM 0 HH12 ARG B 30 8.589 -11.772 -3.666 1.00 0.00 H new ATOM 0 HH21 ARG B 30 6.447 -12.327 -6.420 1.00 0.00 H new ATOM 0 HH22 ARG B 30 7.905 -12.858 -5.575 1.00 0.00 H new ATOM 835 N ILE B 31 2.228 -6.495 -2.697 1.00 0.00 N ATOM 836 CA ILE B 31 2.387 -5.055 -2.713 1.00 0.00 C ATOM 837 C ILE B 31 3.852 -4.723 -2.437 1.00 0.00 C ATOM 838 O ILE B 31 4.512 -5.419 -1.660 1.00 0.00 O ATOM 839 CB ILE B 31 1.466 -4.375 -1.669 1.00 0.00 C ATOM 840 CG1 ILE B 31 1.525 -2.851 -1.800 1.00 0.00 C ATOM 841 CG2 ILE B 31 1.834 -4.806 -0.255 1.00 0.00 C ATOM 842 CD1 ILE B 31 0.529 -2.129 -0.919 1.00 0.00 C ATOM 0 H ILE B 31 2.409 -6.923 -1.789 1.00 0.00 H new ATOM 0 HA ILE B 31 2.098 -4.673 -3.692 1.00 0.00 H new ATOM 0 HB ILE B 31 0.443 -4.695 -1.866 1.00 0.00 H new ATOM 0 HG12 ILE B 31 2.531 -2.512 -1.551 1.00 0.00 H new ATOM 0 HG13 ILE B 31 1.344 -2.577 -2.839 1.00 0.00 H new ATOM 0 HG21 ILE B 31 1.173 -4.315 0.459 1.00 0.00 H new ATOM 0 HG22 ILE B 31 1.727 -5.887 -0.165 1.00 0.00 H new ATOM 0 HG23 ILE B 31 2.866 -4.525 -0.046 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.628 -1.053 -1.064 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -0.482 -2.439 -1.183 1.00 0.00 H new ATOM 0 HD13 ILE B 31 0.723 -2.374 0.125 1.00 0.00 H new ATOM 854 N ALA B 32 4.375 -3.697 -3.090 1.00 0.00 N ATOM 855 CA ALA B 32 5.764 -3.319 -2.898 1.00 0.00 C ATOM 856 C ALA B 32 5.943 -1.811 -2.950 1.00 0.00 C ATOM 857 O ALA B 32 5.128 -1.095 -3.529 1.00 0.00 O ATOM 858 CB ALA B 32 6.639 -3.991 -3.943 1.00 0.00 C ATOM 0 H ALA B 32 3.862 -3.116 -3.753 1.00 0.00 H new ATOM 0 HA ALA B 32 6.069 -3.655 -1.907 1.00 0.00 H new ATOM 0 HB1 ALA B 32 7.678 -3.700 -3.789 1.00 0.00 H new ATOM 0 HB2 ALA B 32 6.548 -5.073 -3.852 1.00 0.00 H new ATOM 0 HB3 ALA B 32 6.319 -3.682 -4.938 1.00 0.00 H new ATOM 864 N TRP B 33 7.016 -1.334 -2.342 1.00 0.00 N ATOM 865 CA TRP B 33 7.314 0.085 -2.321 1.00 0.00 C ATOM 866 C TRP B 33 8.800 0.306 -2.588 1.00 0.00 C ATOM 867 O TRP B 33 9.639 -0.494 -2.163 1.00 0.00 O ATOM 868 CB TRP B 33 6.907 0.703 -0.978 1.00 0.00 C ATOM 869 CG TRP B 33 7.037 2.192 -0.964 1.00 0.00 C ATOM 870 CD1 TRP B 33 6.080 3.106 -1.294 1.00 0.00 C ATOM 871 CD2 TRP B 33 8.203 2.939 -0.620 1.00 0.00 C ATOM 872 NE1 TRP B 33 6.589 4.375 -1.191 1.00 0.00 N ATOM 873 CE2 TRP B 33 7.890 4.296 -0.778 1.00 0.00 C ATOM 874 CE3 TRP B 33 9.485 2.589 -0.198 1.00 0.00 C ATOM 875 CZ2 TRP B 33 8.810 5.302 -0.534 1.00 0.00 C ATOM 876 CZ3 TRP B 33 10.398 3.590 0.047 1.00 0.00 C ATOM 877 CH2 TRP B 33 10.059 4.935 -0.124 1.00 0.00 C ATOM 0 H TRP B 33 7.698 -1.914 -1.854 1.00 0.00 H new ATOM 0 HA TRP B 33 6.739 0.577 -3.105 1.00 0.00 H new ATOM 0 HB2 TRP B 33 5.875 0.431 -0.755 1.00 0.00 H new ATOM 0 HB3 TRP B 33 7.526 0.281 -0.186 1.00 0.00 H new ATOM 0 HD1 TRP B 33 5.070 2.866 -1.592 1.00 0.00 H new ATOM 0 HE1 TRP B 33 6.081 5.237 -1.390 1.00 0.00 H new ATOM 0 HE3 TRP B 33 9.757 1.552 -0.066 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 8.548 6.342 -0.664 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 11.393 3.331 0.377 1.00 0.00 H new ATOM 0 HH2 TRP B 33 10.798 5.697 0.072 1.00 0.00 H new ATOM 888 N ALA B 34 9.116 1.381 -3.299 1.00 0.00 N ATOM 889 CA ALA B 34 10.492 1.709 -3.642 1.00 0.00 C ATOM 890 C ALA B 34 10.692 3.217 -3.663 1.00 0.00 C ATOM 891 O ALA B 34 9.852 3.940 -4.197 1.00 0.00 O ATOM 892 CB ALA B 34 10.872 1.107 -4.988 1.00 0.00 C ATOM 0 H ALA B 34 8.429 2.047 -3.652 1.00 0.00 H new ATOM 0 HA ALA B 34 11.143 1.282 -2.879 1.00 0.00 H new ATOM 0 HB1 ALA B 34 11.904 1.365 -5.224 1.00 0.00 H new ATOM 0 HB2 ALA B 34 10.770 0.023 -4.943 1.00 0.00 H new ATOM 0 HB3 ALA B 34 10.214 1.502 -5.762 1.00 0.00 H new ATOM 898 N PRO B 35 11.779 3.717 -3.049 1.00 0.00 N ATOM 899 CA PRO B 35 12.071 5.151 -3.026 1.00 0.00 C ATOM 900 C PRO B 35 12.256 5.701 -4.437 1.00 0.00 C ATOM 901 O PRO B 35 12.555 4.951 -5.371 1.00 0.00 O ATOM 902 CB PRO B 35 13.366 5.262 -2.217 1.00 0.00 C ATOM 903 CG PRO B 35 13.955 3.892 -2.216 1.00 0.00 C ATOM 904 CD PRO B 35 12.805 2.931 -2.347 1.00 0.00 C ATOM 0 HA PRO B 35 11.258 5.730 -2.589 1.00 0.00 H new ATOM 0 HB2 PRO B 35 14.049 5.982 -2.667 1.00 0.00 H new ATOM 0 HB3 PRO B 35 13.166 5.604 -1.201 1.00 0.00 H new ATOM 0 HG2 PRO B 35 14.657 3.771 -3.041 1.00 0.00 H new ATOM 0 HG3 PRO B 35 14.510 3.709 -1.296 1.00 0.00 H new ATOM 0 HD2 PRO B 35 13.087 2.043 -2.912 1.00 0.00 H new ATOM 0 HD3 PRO B 35 12.453 2.591 -1.373 1.00 0.00 H new ATOM 992 N PHE B 41 13.111 -2.535 -4.885 1.00 0.00 N ATOM 993 CA PHE B 41 12.083 -2.228 -3.900 1.00 0.00 C ATOM 994 C PHE B 41 12.624 -2.437 -2.492 1.00 0.00 C ATOM 995 O PHE B 41 13.448 -3.326 -2.258 1.00 0.00 O ATOM 996 CB PHE B 41 10.851 -3.110 -4.117 1.00 0.00 C ATOM 997 CG PHE B 41 10.311 -3.066 -5.519 1.00 0.00 C ATOM 998 CD1 PHE B 41 9.385 -2.104 -5.887 1.00 0.00 C ATOM 999 CD2 PHE B 41 10.732 -3.985 -6.467 1.00 0.00 C ATOM 1000 CE1 PHE B 41 8.889 -2.060 -7.175 1.00 0.00 C ATOM 1001 CE2 PHE B 41 10.238 -3.945 -7.757 1.00 0.00 C ATOM 1002 CZ PHE B 41 9.316 -2.980 -8.111 1.00 0.00 C ATOM 0 HA PHE B 41 11.794 -1.184 -4.020 1.00 0.00 H new ATOM 0 HB2 PHE B 41 11.105 -4.140 -3.868 1.00 0.00 H new ATOM 0 HB3 PHE B 41 10.067 -2.799 -3.426 1.00 0.00 H new ATOM 0 HD1 PHE B 41 9.047 -1.381 -5.159 1.00 0.00 H new ATOM 0 HD2 PHE B 41 11.454 -4.741 -6.195 1.00 0.00 H new ATOM 0 HE1 PHE B 41 8.167 -1.306 -7.450 1.00 0.00 H new ATOM 0 HE2 PHE B 41 10.572 -4.667 -8.487 1.00 0.00 H new ATOM 0 HZ PHE B 41 8.930 -2.945 -9.119 1.00 0.00 H new ATOM 1012 N THR B 42 12.167 -1.619 -1.563 1.00 0.00 N ATOM 1013 CA THR B 42 12.604 -1.717 -0.184 1.00 0.00 C ATOM 1014 C THR B 42 11.599 -2.504 0.646 1.00 0.00 C ATOM 1015 O THR B 42 11.963 -3.165 1.617 1.00 0.00 O ATOM 1016 CB THR B 42 12.791 -0.319 0.426 1.00 0.00 C ATOM 1017 OG1 THR B 42 11.864 0.593 -0.174 1.00 0.00 O ATOM 1018 CG2 THR B 42 14.210 0.180 0.207 1.00 0.00 C ATOM 0 H THR B 42 11.490 -0.876 -1.740 1.00 0.00 H new ATOM 0 HA THR B 42 13.560 -2.241 -0.174 1.00 0.00 H new ATOM 0 HB THR B 42 12.607 -0.381 1.499 1.00 0.00 H new ATOM 0 HG1 THR B 42 11.701 1.342 0.436 1.00 0.00 H new ATOM 0 HG21 THR B 42 14.319 1.171 0.647 1.00 0.00 H new ATOM 0 HG22 THR B 42 14.914 -0.506 0.679 1.00 0.00 H new ATOM 0 HG23 THR B 42 14.416 0.233 -0.862 1.00 0.00 H new ATOM 1026 N ILE B 43 10.337 -2.438 0.245 1.00 0.00 N ATOM 1027 CA ILE B 43 9.274 -3.133 0.951 1.00 0.00 C ATOM 1028 C ILE B 43 8.497 -4.043 0.004 1.00 0.00 C ATOM 1029 O ILE B 43 8.199 -3.663 -1.128 1.00 0.00 O ATOM 1030 CB ILE B 43 8.319 -2.121 1.636 1.00 0.00 C ATOM 1031 CG1 ILE B 43 8.831 -1.791 3.040 1.00 0.00 C ATOM 1032 CG2 ILE B 43 6.887 -2.643 1.698 1.00 0.00 C ATOM 1033 CD1 ILE B 43 7.973 -0.792 3.782 1.00 0.00 C ATOM 0 H ILE B 43 10.025 -1.908 -0.569 1.00 0.00 H new ATOM 0 HA ILE B 43 9.730 -3.753 1.722 1.00 0.00 H new ATOM 0 HB ILE B 43 8.306 -1.213 1.034 1.00 0.00 H new ATOM 0 HG12 ILE B 43 8.887 -2.711 3.622 1.00 0.00 H new ATOM 0 HG13 ILE B 43 9.845 -1.399 2.964 1.00 0.00 H new ATOM 0 HG21 ILE B 43 6.251 -1.904 2.185 1.00 0.00 H new ATOM 0 HG22 ILE B 43 6.522 -2.826 0.687 1.00 0.00 H new ATOM 0 HG23 ILE B 43 6.863 -3.573 2.266 1.00 0.00 H new ATOM 0 HD11 ILE B 43 8.399 -0.608 4.768 1.00 0.00 H new ATOM 0 HD12 ILE B 43 7.937 0.143 3.223 1.00 0.00 H new ATOM 0 HD13 ILE B 43 6.964 -1.189 3.891 1.00 0.00 H new ATOM 1045 N SER B 44 8.207 -5.251 0.469 1.00 0.00 N ATOM 1046 CA SER B 44 7.457 -6.229 -0.295 1.00 0.00 C ATOM 1047 C SER B 44 6.626 -7.066 0.675 1.00 0.00 C ATOM 1048 O SER B 44 7.165 -7.600 1.644 1.00 0.00 O ATOM 1049 CB SER B 44 8.419 -7.119 -1.084 1.00 0.00 C ATOM 1050 OG SER B 44 7.764 -7.768 -2.161 1.00 0.00 O ATOM 0 H SER B 44 8.489 -5.578 1.393 1.00 0.00 H new ATOM 0 HA SER B 44 6.797 -5.729 -1.004 1.00 0.00 H new ATOM 0 HB2 SER B 44 9.242 -6.516 -1.468 1.00 0.00 H new ATOM 0 HB3 SER B 44 8.854 -7.865 -0.419 1.00 0.00 H new ATOM 0 HG SER B 44 8.407 -8.327 -2.646 1.00 0.00 H new ATOM 1056 N HIS B 45 5.325 -7.183 0.426 1.00 0.00 N ATOM 1057 CA HIS B 45 4.447 -7.933 1.305 1.00 0.00 C ATOM 1058 C HIS B 45 3.427 -8.680 0.481 1.00 0.00 C ATOM 1059 O HIS B 45 2.693 -8.080 -0.308 1.00 0.00 O ATOM 1060 CB HIS B 45 3.719 -7.006 2.294 1.00 0.00 C ATOM 1061 CG HIS B 45 4.622 -6.228 3.206 1.00 0.00 C ATOM 1062 ND1 HIS B 45 5.526 -6.805 4.072 1.00 0.00 N ATOM 1063 CD2 HIS B 45 4.755 -4.886 3.368 1.00 0.00 C ATOM 1064 CE1 HIS B 45 6.165 -5.820 4.716 1.00 0.00 C ATOM 1065 NE2 HIS B 45 5.736 -4.637 4.324 1.00 0.00 N ATOM 0 H HIS B 45 4.859 -6.766 -0.380 1.00 0.00 H new ATOM 0 HA HIS B 45 5.057 -8.633 1.876 1.00 0.00 H new ATOM 0 HB2 HIS B 45 3.105 -6.305 1.729 1.00 0.00 H new ATOM 0 HB3 HIS B 45 3.041 -7.606 2.901 1.00 0.00 H new ATOM 0 HD2 HIS B 45 4.190 -4.132 2.840 1.00 0.00 H new ATOM 0 HE1 HIS B 45 6.932 -5.975 5.460 1.00 0.00 H new ATOM 0 HE2 HIS B 45 6.057 -3.726 4.653 1.00 0.00 H new ATOM 1073 N MET B 46 3.396 -9.986 0.643 1.00 0.00 N ATOM 1074 CA MET B 46 2.448 -10.805 -0.073 1.00 0.00 C ATOM 1075 C MET B 46 1.089 -10.619 0.570 1.00 0.00 C ATOM 1076 O MET B 46 0.992 -10.500 1.790 1.00 0.00 O ATOM 1077 CB MET B 46 2.869 -12.270 -0.012 1.00 0.00 C ATOM 1078 CG MET B 46 4.113 -12.598 -0.820 1.00 0.00 C ATOM 1079 SD MET B 46 3.827 -12.564 -2.600 1.00 0.00 S ATOM 1080 CE MET B 46 2.722 -13.959 -2.797 1.00 0.00 C ATOM 0 H MET B 46 4.018 -10.501 1.266 1.00 0.00 H new ATOM 0 HA MET B 46 2.409 -10.510 -1.122 1.00 0.00 H new ATOM 0 HB2 MET B 46 3.044 -12.542 1.029 1.00 0.00 H new ATOM 0 HB3 MET B 46 2.045 -12.888 -0.369 1.00 0.00 H new ATOM 0 HG2 MET B 46 4.900 -11.886 -0.570 1.00 0.00 H new ATOM 0 HG3 MET B 46 4.475 -13.586 -0.535 1.00 0.00 H new ATOM 0 HE1 MET B 46 2.774 -14.322 -3.823 1.00 0.00 H new ATOM 0 HE2 MET B 46 3.017 -14.756 -2.114 1.00 0.00 H new ATOM 0 HE3 MET B 46 1.701 -13.649 -2.573 1.00 0.00 H new ATOM 1090 N TYR B 47 0.043 -10.565 -0.235 1.00 0.00 N ATOM 1091 CA TYR B 47 -1.311 -10.382 0.303 1.00 0.00 C ATOM 1092 C TYR B 47 -1.698 -11.493 1.287 1.00 0.00 C ATOM 1093 O TYR B 47 -2.665 -11.360 2.031 1.00 0.00 O ATOM 1094 CB TYR B 47 -2.340 -10.286 -0.819 1.00 0.00 C ATOM 1095 CG TYR B 47 -2.071 -9.162 -1.789 1.00 0.00 C ATOM 1096 CD1 TYR B 47 -1.807 -7.878 -1.335 1.00 0.00 C ATOM 1097 CD2 TYR B 47 -2.075 -9.385 -3.156 1.00 0.00 C ATOM 1098 CE1 TYR B 47 -1.553 -6.851 -2.216 1.00 0.00 C ATOM 1099 CE2 TYR B 47 -1.821 -8.361 -4.044 1.00 0.00 C ATOM 1100 CZ TYR B 47 -1.561 -7.096 -3.569 1.00 0.00 C ATOM 1101 OH TYR B 47 -1.307 -6.074 -4.453 1.00 0.00 O ATOM 0 H TYR B 47 0.093 -10.643 -1.251 1.00 0.00 H new ATOM 0 HA TYR B 47 -1.305 -9.441 0.854 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -2.359 -11.229 -1.365 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -3.330 -10.150 -0.383 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -1.801 -7.681 -0.273 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -2.280 -10.376 -3.532 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -1.348 -5.857 -1.846 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -1.826 -8.551 -5.107 1.00 0.00 H new ATOM 0 HH TYR B 47 -1.097 -6.448 -5.334 1.00 0.00 H new ATOM 1111 N ALA B 48 -0.951 -12.591 1.280 1.00 0.00 N ATOM 1112 CA ALA B 48 -1.211 -13.696 2.194 1.00 0.00 C ATOM 1113 C ALA B 48 -0.630 -13.411 3.571 1.00 0.00 C ATOM 1114 O ALA B 48 -1.078 -13.983 4.569 1.00 0.00 O ATOM 1115 CB ALA B 48 -0.644 -14.999 1.655 1.00 0.00 C ATOM 0 H ALA B 48 -0.161 -12.739 0.652 1.00 0.00 H new ATOM 0 HA ALA B 48 -2.293 -13.798 2.283 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -0.853 -15.805 2.358 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -1.105 -15.227 0.694 1.00 0.00 H new ATOM 0 HB3 ALA B 48 0.434 -14.901 1.526 1.00 0.00 H new ATOM 1121 N ASP B 49 0.372 -12.536 3.616 1.00 0.00 N ATOM 1122 CA ASP B 49 1.017 -12.164 4.870 1.00 0.00 C ATOM 1123 C ASP B 49 0.308 -10.961 5.458 1.00 0.00 C ATOM 1124 O ASP B 49 0.576 -10.547 6.589 1.00 0.00 O ATOM 1125 CB ASP B 49 2.504 -11.819 4.676 1.00 0.00 C ATOM 1126 CG ASP B 49 3.166 -12.562 3.529 1.00 0.00 C ATOM 1127 OD1 ASP B 49 2.913 -13.777 3.369 1.00 0.00 O ATOM 1128 OD2 ASP B 49 3.942 -11.921 2.785 1.00 0.00 O ATOM 0 H ASP B 49 0.755 -12.070 2.794 1.00 0.00 H new ATOM 0 HA ASP B 49 0.954 -13.021 5.541 1.00 0.00 H new ATOM 0 HB2 ASP B 49 2.598 -10.747 4.503 1.00 0.00 H new ATOM 0 HB3 ASP B 49 3.041 -12.042 5.598 1.00 0.00 H new ATOM 1133 N ILE B 50 -0.586 -10.392 4.668 1.00 0.00 N ATOM 1134 CA ILE B 50 -1.369 -9.249 5.088 1.00 0.00 C ATOM 1135 C ILE B 50 -2.687 -9.737 5.671 1.00 0.00 C ATOM 1136 O ILE B 50 -3.488 -10.370 4.985 1.00 0.00 O ATOM 1137 CB ILE B 50 -1.626 -8.286 3.915 1.00 0.00 C ATOM 1138 CG1 ILE B 50 -0.299 -7.741 3.379 1.00 0.00 C ATOM 1139 CG2 ILE B 50 -2.536 -7.143 4.348 1.00 0.00 C ATOM 1140 CD1 ILE B 50 -0.419 -7.034 2.048 1.00 0.00 C ATOM 0 H ILE B 50 -0.787 -10.710 3.720 1.00 0.00 H new ATOM 0 HA ILE B 50 -0.811 -8.700 5.846 1.00 0.00 H new ATOM 0 HB ILE B 50 -2.126 -8.836 3.118 1.00 0.00 H new ATOM 0 HG12 ILE B 50 0.120 -7.049 4.110 1.00 0.00 H new ATOM 0 HG13 ILE B 50 0.407 -8.565 3.279 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -2.705 -6.473 3.505 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -3.490 -7.546 4.689 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -2.065 -6.591 5.161 1.00 0.00 H new ATOM 0 HD11 ILE B 50 0.562 -6.677 1.736 1.00 0.00 H new ATOM 0 HD12 ILE B 50 -0.807 -7.727 1.302 1.00 0.00 H new ATOM 0 HD13 ILE B 50 -1.099 -6.188 2.146 1.00 0.00 H new ATOM 1152 N LYS B 51 -2.891 -9.452 6.943 1.00 0.00 N ATOM 1153 CA LYS B 51 -4.087 -9.879 7.645 1.00 0.00 C ATOM 1154 C LYS B 51 -5.232 -8.885 7.460 1.00 0.00 C ATOM 1155 O LYS B 51 -6.377 -9.293 7.274 1.00 0.00 O ATOM 1156 CB LYS B 51 -3.757 -10.065 9.134 1.00 0.00 C ATOM 1157 CG LYS B 51 -4.968 -10.209 10.044 1.00 0.00 C ATOM 1158 CD LYS B 51 -4.633 -9.803 11.473 1.00 0.00 C ATOM 1159 CE LYS B 51 -5.812 -10.024 12.412 1.00 0.00 C ATOM 1160 NZ LYS B 51 -6.783 -8.895 12.370 1.00 0.00 N ATOM 0 H LYS B 51 -2.236 -8.921 7.517 1.00 0.00 H new ATOM 0 HA LYS B 51 -4.420 -10.828 7.225 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -3.130 -10.950 9.245 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -3.167 -9.212 9.470 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -5.784 -9.591 9.669 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -5.317 -11.241 10.029 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -3.776 -10.378 11.823 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -4.342 -8.753 11.494 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -6.321 -10.949 12.142 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -5.445 -10.148 13.431 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -7.697 -9.209 12.753 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -6.421 -8.105 12.941 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -6.909 -8.582 11.386 1.00 0.00 H new ATOM 1174 N CYS B 52 -4.927 -7.587 7.506 1.00 0.00 N ATOM 1175 CA CYS B 52 -5.968 -6.559 7.365 1.00 0.00 C ATOM 1176 C CYS B 52 -5.444 -5.290 6.710 1.00 0.00 C ATOM 1177 O CYS B 52 -4.262 -5.189 6.384 1.00 0.00 O ATOM 1178 CB CYS B 52 -6.543 -6.195 8.733 1.00 0.00 C ATOM 1179 SG CYS B 52 -6.954 -7.607 9.760 1.00 0.00 S ATOM 0 H CYS B 52 -3.983 -7.223 7.638 1.00 0.00 H new ATOM 0 HA CYS B 52 -6.740 -6.985 6.725 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -5.822 -5.572 9.263 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -7.440 -5.592 8.589 1.00 0.00 H new ATOM 0 HG CYS B 52 -7.993 -8.214 9.268 1.00 0.00 H new ATOM 1185 N GLN B 53 -6.329 -4.307 6.544 1.00 0.00 N ATOM 1186 CA GLN B 53 -5.964 -3.039 5.949 1.00 0.00 C ATOM 1187 C GLN B 53 -6.819 -1.928 6.522 1.00 0.00 C ATOM 1188 O GLN B 53 -8.024 -2.091 6.711 1.00 0.00 O ATOM 1189 CB GLN B 53 -6.112 -3.072 4.423 1.00 0.00 C ATOM 1190 CG GLN B 53 -7.542 -3.202 3.917 1.00 0.00 C ATOM 1191 CD GLN B 53 -7.619 -3.126 2.402 1.00 0.00 C ATOM 1192 OE1 GLN B 53 -6.708 -3.566 1.702 1.00 0.00 O ATOM 1193 NE2 GLN B 53 -8.693 -2.556 1.883 1.00 0.00 N ATOM 0 H GLN B 53 -7.309 -4.374 6.818 1.00 0.00 H new ATOM 0 HA GLN B 53 -4.917 -2.851 6.185 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -5.679 -2.161 4.011 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -5.528 -3.906 4.035 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -7.961 -4.150 4.254 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -8.153 -2.411 4.351 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -9.429 -2.202 2.495 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -8.786 -2.470 0.871 1.00 0.00 H new ATOM 1202 N LYS B 54 -6.184 -0.822 6.848 1.00 0.00 N ATOM 1203 CA LYS B 54 -6.896 0.325 7.347 1.00 0.00 C ATOM 1204 C LYS B 54 -6.709 1.450 6.364 1.00 0.00 C ATOM 1205 O LYS B 54 -5.812 1.400 5.518 1.00 0.00 O ATOM 1206 CB LYS B 54 -6.377 0.851 8.679 1.00 0.00 C ATOM 1207 CG LYS B 54 -5.742 -0.121 9.644 1.00 0.00 C ATOM 1208 CD LYS B 54 -5.421 0.648 10.918 1.00 0.00 C ATOM 1209 CE LYS B 54 -5.690 -0.130 12.188 1.00 0.00 C ATOM 1210 NZ LYS B 54 -6.196 0.754 13.272 1.00 0.00 N ATOM 0 H LYS B 54 -5.174 -0.697 6.775 1.00 0.00 H new ATOM 0 HA LYS B 54 -7.930 0.007 7.482 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -5.645 1.630 8.464 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -7.211 1.330 9.193 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -6.418 -0.949 9.856 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -4.836 -0.550 9.216 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -4.371 0.942 10.899 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -6.009 1.566 10.934 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -6.419 -0.915 11.987 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -4.774 -0.622 12.516 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -6.948 0.264 13.797 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -5.418 0.988 13.921 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -6.576 1.629 12.857 1.00 0.00 H new ATOM 1224 N ILE B 55 -7.511 2.482 6.497 1.00 0.00 N ATOM 1225 CA ILE B 55 -7.374 3.643 5.615 1.00 0.00 C ATOM 1226 C ILE B 55 -7.493 4.967 6.381 1.00 0.00 C ATOM 1227 O ILE B 55 -8.497 5.228 7.041 1.00 0.00 O ATOM 1228 CB ILE B 55 -8.364 3.611 4.429 1.00 0.00 C ATOM 1229 CG1 ILE B 55 -9.812 3.581 4.896 1.00 0.00 C ATOM 1230 CG2 ILE B 55 -8.090 2.405 3.547 1.00 0.00 C ATOM 1231 CD1 ILE B 55 -10.778 3.377 3.755 1.00 0.00 C ATOM 0 H ILE B 55 -8.255 2.552 7.191 1.00 0.00 H new ATOM 0 HA ILE B 55 -6.368 3.582 5.201 1.00 0.00 H new ATOM 0 HB ILE B 55 -8.213 4.527 3.858 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -9.940 2.781 5.625 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -10.047 4.516 5.405 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -8.795 2.395 2.715 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -7.073 2.461 3.160 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -8.206 1.493 4.132 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -11.798 3.363 4.140 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -10.672 4.191 3.038 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -10.563 2.429 3.262 1.00 0.00 H new ATOM 1243 N SER B 56 -6.422 5.772 6.340 1.00 0.00 N ATOM 1244 CA SER B 56 -6.406 7.070 7.010 1.00 0.00 C ATOM 1245 C SER B 56 -7.114 8.116 6.176 1.00 0.00 C ATOM 1246 O SER B 56 -6.670 8.426 5.054 1.00 0.00 O ATOM 1247 CB SER B 56 -4.984 7.538 7.272 1.00 0.00 C ATOM 1248 OG SER B 56 -4.517 7.098 8.531 1.00 0.00 O ATOM 0 H SER B 56 -5.558 5.543 5.849 1.00 0.00 H new ATOM 0 HA SER B 56 -6.925 6.945 7.960 1.00 0.00 H new ATOM 0 HB2 SER B 56 -4.326 7.163 6.488 1.00 0.00 H new ATOM 0 HB3 SER B 56 -4.944 8.626 7.228 1.00 0.00 H new ATOM 0 HG SER B 56 -4.650 6.130 8.609 1.00 0.00 H new ATOM 1254 N PRO B 57 -8.171 8.713 6.762 1.00 0.00 N ATOM 1255 CA PRO B 57 -9.023 9.715 6.110 1.00 0.00 C ATOM 1256 C PRO B 57 -8.296 11.000 5.727 1.00 0.00 C ATOM 1257 O PRO B 57 -7.142 11.230 6.102 1.00 0.00 O ATOM 1258 CB PRO B 57 -10.065 10.054 7.178 1.00 0.00 C ATOM 1259 CG PRO B 57 -9.421 9.685 8.463 1.00 0.00 C ATOM 1260 CD PRO B 57 -8.599 8.474 8.153 1.00 0.00 C ATOM 0 HA PRO B 57 -9.417 9.315 5.176 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -10.326 11.112 7.155 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -10.988 9.495 7.023 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -8.800 10.497 8.840 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -10.165 9.471 9.230 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -7.748 8.380 8.827 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -9.181 7.557 8.245 1.00 0.00 H new ATOM 1268 N GLU B 58 -9.000 11.834 4.984 1.00 0.00 N ATOM 1269 CA GLU B 58 -8.496 13.120 4.560 1.00 0.00 C ATOM 1270 C GLU B 58 -8.781 14.151 5.648 1.00 0.00 C ATOM 1271 O GLU B 58 -9.811 14.087 6.319 1.00 0.00 O ATOM 1272 CB GLU B 58 -9.140 13.543 3.228 1.00 0.00 C ATOM 1273 CG GLU B 58 -10.654 13.349 3.170 1.00 0.00 C ATOM 1274 CD GLU B 58 -11.058 11.945 2.756 1.00 0.00 C ATOM 1275 OE1 GLU B 58 -11.056 11.043 3.622 1.00 0.00 O ATOM 1276 OE2 GLU B 58 -11.355 11.729 1.568 1.00 0.00 O ATOM 0 H GLU B 58 -9.945 11.633 4.657 1.00 0.00 H new ATOM 0 HA GLU B 58 -7.420 13.052 4.401 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -8.913 14.594 3.046 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -8.682 12.973 2.420 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -11.081 13.570 4.148 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -11.080 14.065 2.467 1.00 0.00 H new ATOM 1283 N GLY B 59 -7.862 15.082 5.839 1.00 0.00 N ATOM 1284 CA GLY B 59 -8.041 16.096 6.858 1.00 0.00 C ATOM 1285 C GLY B 59 -6.738 16.408 7.553 1.00 0.00 C ATOM 1286 O GLY B 59 -6.488 17.545 7.950 1.00 0.00 O ATOM 0 H GLY B 59 -6.995 15.155 5.307 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -8.441 17.003 6.405 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -8.774 15.755 7.589 1.00 0.00 H new ATOM 1290 N LYS B 60 -5.908 15.386 7.704 1.00 0.00 N ATOM 1291 CA LYS B 60 -4.606 15.550 8.326 1.00 0.00 C ATOM 1292 C LYS B 60 -3.638 16.130 7.305 1.00 0.00 C ATOM 1293 O LYS B 60 -3.997 16.324 6.144 1.00 0.00 O ATOM 1294 CB LYS B 60 -4.075 14.207 8.847 1.00 0.00 C ATOM 1295 CG LYS B 60 -4.767 13.715 10.111 1.00 0.00 C ATOM 1296 CD LYS B 60 -3.841 13.768 11.322 1.00 0.00 C ATOM 1297 CE LYS B 60 -2.781 12.674 11.279 1.00 0.00 C ATOM 1298 NZ LYS B 60 -1.996 12.610 12.542 1.00 0.00 N ATOM 0 H LYS B 60 -6.115 14.434 7.403 1.00 0.00 H new ATOM 0 HA LYS B 60 -4.701 16.227 9.175 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -4.190 13.455 8.066 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -3.007 14.302 9.043 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -5.650 14.324 10.302 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -5.112 12.692 9.962 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -3.355 14.743 11.364 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -4.430 13.666 12.233 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -3.260 11.711 11.101 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -2.107 12.855 10.442 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -1.083 12.147 12.360 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -1.831 13.573 12.897 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -2.525 12.065 13.252 1.00 0.00 H new ATOM 1312 N ALA B 61 -2.408 16.383 7.727 1.00 0.00 N ATOM 1313 CA ALA B 61 -1.398 16.932 6.830 1.00 0.00 C ATOM 1314 C ALA B 61 -0.880 15.861 5.874 1.00 0.00 C ATOM 1315 O ALA B 61 0.017 16.110 5.072 1.00 0.00 O ATOM 1316 CB ALA B 61 -0.250 17.527 7.632 1.00 0.00 C ATOM 0 H ALA B 61 -2.085 16.218 8.680 1.00 0.00 H new ATOM 0 HA ALA B 61 -1.859 17.722 6.237 1.00 0.00 H new ATOM 0 HB1 ALA B 61 0.497 17.934 6.951 1.00 0.00 H new ATOM 0 HB2 ALA B 61 -0.628 18.323 8.273 1.00 0.00 H new ATOM 0 HB3 ALA B 61 0.204 16.751 8.248 1.00 0.00 H new ATOM 1322 N LYS B 62 -1.452 14.664 5.976 1.00 0.00 N ATOM 1323 CA LYS B 62 -1.062 13.546 5.139 1.00 0.00 C ATOM 1324 C LYS B 62 -2.160 12.477 5.130 1.00 0.00 C ATOM 1325 O LYS B 62 -2.839 12.262 6.138 1.00 0.00 O ATOM 1326 CB LYS B 62 0.269 12.954 5.630 1.00 0.00 C ATOM 1327 CG LYS B 62 0.470 13.030 7.141 1.00 0.00 C ATOM 1328 CD LYS B 62 1.707 12.261 7.591 1.00 0.00 C ATOM 1329 CE LYS B 62 1.802 12.227 9.110 1.00 0.00 C ATOM 1330 NZ LYS B 62 2.806 11.246 9.608 1.00 0.00 N ATOM 0 H LYS B 62 -2.195 14.448 6.640 1.00 0.00 H new ATOM 0 HA LYS B 62 -0.925 13.903 4.118 1.00 0.00 H new ATOM 0 HB2 LYS B 62 0.326 11.911 5.320 1.00 0.00 H new ATOM 0 HB3 LYS B 62 1.089 13.478 5.139 1.00 0.00 H new ATOM 0 HG2 LYS B 62 0.562 14.073 7.443 1.00 0.00 H new ATOM 0 HG3 LYS B 62 -0.410 12.629 7.645 1.00 0.00 H new ATOM 0 HD2 LYS B 62 1.669 11.243 7.202 1.00 0.00 H new ATOM 0 HD3 LYS B 62 2.601 12.728 7.177 1.00 0.00 H new ATOM 0 HE2 LYS B 62 2.061 13.221 9.475 1.00 0.00 H new ATOM 0 HE3 LYS B 62 0.824 11.980 9.524 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 2.826 11.267 10.648 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 2.548 10.291 9.286 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 3.746 11.493 9.238 1.00 0.00 H new ATOM 1344 N ILE B 63 -2.340 11.838 3.978 1.00 0.00 N ATOM 1345 CA ILE B 63 -3.334 10.777 3.802 1.00 0.00 C ATOM 1346 C ILE B 63 -2.613 9.432 3.844 1.00 0.00 C ATOM 1347 O ILE B 63 -1.506 9.321 3.312 1.00 0.00 O ATOM 1348 CB ILE B 63 -4.087 10.941 2.457 1.00 0.00 C ATOM 1349 CG1 ILE B 63 -4.940 12.214 2.470 1.00 0.00 C ATOM 1350 CG2 ILE B 63 -4.957 9.729 2.158 1.00 0.00 C ATOM 1351 CD1 ILE B 63 -4.246 13.422 1.874 1.00 0.00 C ATOM 0 H ILE B 63 -1.801 12.040 3.136 1.00 0.00 H new ATOM 0 HA ILE B 63 -4.073 10.833 4.602 1.00 0.00 H new ATOM 0 HB ILE B 63 -3.340 11.024 1.667 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -5.862 12.028 1.919 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -5.223 12.440 3.498 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -5.471 9.876 1.208 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -4.332 8.838 2.098 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -5.692 9.604 2.953 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -4.912 14.283 1.919 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -3.338 13.636 2.439 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -3.987 13.217 0.835 1.00 0.00 H new ATOM 1363 N GLN B 64 -3.210 8.396 4.448 1.00 0.00 N ATOM 1364 CA GLN B 64 -2.484 7.121 4.541 1.00 0.00 C ATOM 1365 C GLN B 64 -3.334 5.884 4.288 1.00 0.00 C ATOM 1366 O GLN B 64 -4.562 5.912 4.334 1.00 0.00 O ATOM 1367 CB GLN B 64 -1.810 6.947 5.912 1.00 0.00 C ATOM 1368 CG GLN B 64 -0.702 7.936 6.218 1.00 0.00 C ATOM 1369 CD GLN B 64 -1.216 9.237 6.786 1.00 0.00 C ATOM 1370 OE1 GLN B 64 -0.597 10.271 6.616 1.00 0.00 O ATOM 1371 NE2 GLN B 64 -2.341 9.194 7.484 1.00 0.00 N ATOM 0 H GLN B 64 -4.143 8.408 4.860 1.00 0.00 H new ATOM 0 HA GLN B 64 -1.744 7.192 3.743 1.00 0.00 H new ATOM 0 HB2 GLN B 64 -2.572 7.029 6.687 1.00 0.00 H new ATOM 0 HB3 GLN B 64 -1.402 5.938 5.973 1.00 0.00 H new ATOM 0 HG2 GLN B 64 -0.006 7.486 6.926 1.00 0.00 H new ATOM 0 HG3 GLN B 64 -0.142 8.140 5.306 1.00 0.00 H new ATOM 0 HE21 GLN B 64 -2.832 8.308 7.605 1.00 0.00 H new ATOM 0 HE22 GLN B 64 -2.716 10.046 7.900 1.00 0.00 H new ATOM 1380 N LEU B 65 -2.619 4.797 4.032 1.00 0.00 N ATOM 1381 CA LEU B 65 -3.185 3.477 3.805 1.00 0.00 C ATOM 1382 C LEU B 65 -2.271 2.464 4.486 1.00 0.00 C ATOM 1383 O LEU B 65 -1.097 2.400 4.154 1.00 0.00 O ATOM 1384 CB LEU B 65 -3.223 3.170 2.324 1.00 0.00 C ATOM 1385 CG LEU B 65 -4.283 2.167 1.902 1.00 0.00 C ATOM 1386 CD1 LEU B 65 -5.559 2.875 1.523 1.00 0.00 C ATOM 1387 CD2 LEU B 65 -3.752 1.308 0.772 1.00 0.00 C ATOM 0 H LEU B 65 -1.601 4.811 3.975 1.00 0.00 H new ATOM 0 HA LEU B 65 -4.200 3.434 4.201 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -3.388 4.100 1.780 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -2.246 2.792 2.022 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.518 1.511 2.740 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -6.307 2.141 1.223 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -5.928 3.442 2.378 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -5.365 3.555 0.693 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -4.515 0.590 0.472 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -3.496 1.942 -0.077 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -2.863 0.774 1.108 1.00 0.00 H new ATOM 1399 N GLN B 66 -2.769 1.672 5.418 1.00 0.00 N ATOM 1400 CA GLN B 66 -1.888 0.740 6.112 1.00 0.00 C ATOM 1401 C GLN B 66 -2.393 -0.685 6.067 1.00 0.00 C ATOM 1402 O GLN B 66 -3.595 -0.938 6.008 1.00 0.00 O ATOM 1403 CB GLN B 66 -1.661 1.164 7.564 1.00 0.00 C ATOM 1404 CG GLN B 66 -2.784 0.785 8.502 1.00 0.00 C ATOM 1405 CD GLN B 66 -2.287 0.375 9.872 1.00 0.00 C ATOM 1406 OE1 GLN B 66 -1.971 -0.787 10.095 1.00 0.00 O ATOM 1407 NE2 GLN B 66 -2.246 1.320 10.799 1.00 0.00 N ATOM 0 H GLN B 66 -3.747 1.650 5.708 1.00 0.00 H new ATOM 0 HA GLN B 66 -0.938 0.771 5.578 1.00 0.00 H new ATOM 0 HB2 GLN B 66 -0.736 0.713 7.922 1.00 0.00 H new ATOM 0 HB3 GLN B 66 -1.523 2.245 7.598 1.00 0.00 H new ATOM 0 HG2 GLN B 66 -3.466 1.629 8.605 1.00 0.00 H new ATOM 0 HG3 GLN B 66 -3.355 -0.035 8.066 1.00 0.00 H new ATOM 0 HE21 GLN B 66 -2.519 2.275 10.566 1.00 0.00 H new ATOM 0 HE22 GLN B 66 -1.941 1.093 11.746 1.00 0.00 H new ATOM 1416 N LEU B 67 -1.451 -1.607 6.100 1.00 0.00 N ATOM 1417 CA LEU B 67 -1.755 -3.019 6.070 1.00 0.00 C ATOM 1418 C LEU B 67 -1.301 -3.690 7.359 1.00 0.00 C ATOM 1419 O LEU B 67 -0.147 -3.560 7.764 1.00 0.00 O ATOM 1420 CB LEU B 67 -1.068 -3.671 4.870 1.00 0.00 C ATOM 1421 CG LEU B 67 -1.359 -3.001 3.527 1.00 0.00 C ATOM 1422 CD1 LEU B 67 -0.291 -3.358 2.509 1.00 0.00 C ATOM 1423 CD2 LEU B 67 -2.734 -3.407 3.020 1.00 0.00 C ATOM 0 H LEU B 67 -0.454 -1.396 6.148 1.00 0.00 H new ATOM 0 HA LEU B 67 -2.834 -3.143 5.977 1.00 0.00 H new ATOM 0 HB2 LEU B 67 0.009 -3.666 5.038 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -1.377 -4.715 4.815 1.00 0.00 H new ATOM 0 HG LEU B 67 -1.347 -1.921 3.671 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -0.516 -2.872 1.560 1.00 0.00 H new ATOM 0 HD12 LEU B 67 0.681 -3.021 2.868 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -0.270 -4.439 2.367 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -2.927 -2.922 2.063 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -2.770 -4.489 2.892 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -3.492 -3.102 3.741 1.00 0.00 H new ATOM 1435 N VAL B 68 -2.224 -4.382 8.003 1.00 0.00 N ATOM 1436 CA VAL B 68 -1.934 -5.106 9.231 1.00 0.00 C ATOM 1437 C VAL B 68 -1.478 -6.497 8.854 1.00 0.00 C ATOM 1438 O VAL B 68 -2.278 -7.312 8.411 1.00 0.00 O ATOM 1439 CB VAL B 68 -3.169 -5.199 10.152 1.00 0.00 C ATOM 1440 CG1 VAL B 68 -2.802 -5.826 11.489 1.00 0.00 C ATOM 1441 CG2 VAL B 68 -3.793 -3.825 10.353 1.00 0.00 C ATOM 0 H VAL B 68 -3.192 -4.459 7.692 1.00 0.00 H new ATOM 0 HA VAL B 68 -1.160 -4.571 9.782 1.00 0.00 H new ATOM 0 HB VAL B 68 -3.905 -5.841 9.669 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -3.689 -5.881 12.121 1.00 0.00 H new ATOM 0 HG12 VAL B 68 -2.411 -6.830 11.325 1.00 0.00 H new ATOM 0 HG13 VAL B 68 -2.043 -5.217 11.980 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -4.662 -3.912 11.005 1.00 0.00 H new ATOM 0 HG22 VAL B 68 -3.063 -3.157 10.809 1.00 0.00 H new ATOM 0 HG23 VAL B 68 -4.102 -3.421 9.389 1.00 0.00 H new ATOM 1451 N LEU B 69 -0.198 -6.769 9.010 1.00 0.00 N ATOM 1452 CA LEU B 69 0.335 -8.062 8.623 1.00 0.00 C ATOM 1453 C LEU B 69 0.179 -9.101 9.726 1.00 0.00 C ATOM 1454 O LEU B 69 -0.037 -8.767 10.892 1.00 0.00 O ATOM 1455 CB LEU B 69 1.802 -7.943 8.221 1.00 0.00 C ATOM 1456 CG LEU B 69 2.207 -6.597 7.615 1.00 0.00 C ATOM 1457 CD1 LEU B 69 3.718 -6.513 7.470 1.00 0.00 C ATOM 1458 CD2 LEU B 69 1.534 -6.382 6.269 1.00 0.00 C ATOM 0 H LEU B 69 0.487 -6.120 9.398 1.00 0.00 H new ATOM 0 HA LEU B 69 -0.245 -8.401 7.765 1.00 0.00 H new ATOM 0 HB2 LEU B 69 2.419 -8.127 9.101 1.00 0.00 H new ATOM 0 HB3 LEU B 69 2.030 -8.730 7.502 1.00 0.00 H new ATOM 0 HG LEU B 69 1.876 -5.808 8.291 1.00 0.00 H new ATOM 0 HD11 LEU B 69 3.989 -5.550 7.038 1.00 0.00 H new ATOM 0 HD12 LEU B 69 4.184 -6.615 8.450 1.00 0.00 H new ATOM 0 HD13 LEU B 69 4.066 -7.314 6.818 1.00 0.00 H new ATOM 0 HD21 LEU B 69 1.838 -5.419 5.860 1.00 0.00 H new ATOM 0 HD22 LEU B 69 1.829 -7.177 5.584 1.00 0.00 H new ATOM 0 HD23 LEU B 69 0.452 -6.396 6.397 1.00 0.00 H new ATOM 1470 N HIS B 70 0.298 -10.367 9.336 1.00 0.00 N ATOM 1471 CA HIS B 70 0.177 -11.495 10.265 1.00 0.00 C ATOM 1472 C HIS B 70 1.272 -11.469 11.326 1.00 0.00 C ATOM 1473 O HIS B 70 1.122 -12.050 12.397 1.00 0.00 O ATOM 1474 CB HIS B 70 0.253 -12.825 9.509 1.00 0.00 C ATOM 1475 CG HIS B 70 -0.936 -13.114 8.648 1.00 0.00 C ATOM 1476 ND1 HIS B 70 -1.622 -14.304 8.661 1.00 0.00 N ATOM 1477 CD2 HIS B 70 -1.545 -12.344 7.717 1.00 0.00 C ATOM 1478 CE1 HIS B 70 -2.601 -14.218 7.753 1.00 0.00 C ATOM 1479 NE2 HIS B 70 -2.600 -13.051 7.156 1.00 0.00 N ATOM 0 H HIS B 70 0.480 -10.643 8.371 1.00 0.00 H new ATOM 0 HA HIS B 70 -0.791 -11.402 10.756 1.00 0.00 H new ATOM 0 HB2 HIS B 70 1.147 -12.824 8.885 1.00 0.00 H new ATOM 0 HB3 HIS B 70 0.369 -13.633 10.231 1.00 0.00 H new ATOM 0 HD2 HIS B 70 -1.256 -11.338 7.452 1.00 0.00 H new ATOM 0 HE1 HIS B 70 -3.303 -15.010 7.539 1.00 0.00 H new ATOM 0 HE2 HIS B 70 -3.241 -12.729 6.430 1.00 0.00 H new ATOM 1487 N ALA B 71 2.372 -10.796 11.018 1.00 0.00 N ATOM 1488 CA ALA B 71 3.496 -10.705 11.942 1.00 0.00 C ATOM 1489 C ALA B 71 3.241 -9.665 13.028 1.00 0.00 C ATOM 1490 O ALA B 71 4.055 -9.489 13.931 1.00 0.00 O ATOM 1491 CB ALA B 71 4.773 -10.375 11.182 1.00 0.00 C ATOM 0 H ALA B 71 2.511 -10.304 10.135 1.00 0.00 H new ATOM 0 HA ALA B 71 3.611 -11.673 12.429 1.00 0.00 H new ATOM 0 HB1 ALA B 71 5.606 -10.309 11.882 1.00 0.00 H new ATOM 0 HB2 ALA B 71 4.974 -11.158 10.451 1.00 0.00 H new ATOM 0 HB3 ALA B 71 4.655 -9.421 10.668 1.00 0.00 H new ATOM 1497 N GLY B 72 2.112 -8.973 12.930 1.00 0.00 N ATOM 1498 CA GLY B 72 1.777 -7.958 13.912 1.00 0.00 C ATOM 1499 C GLY B 72 2.266 -6.589 13.496 1.00 0.00 C ATOM 1500 O GLY B 72 1.888 -5.579 14.089 1.00 0.00 O ATOM 0 H GLY B 72 1.423 -9.096 12.188 1.00 0.00 H new ATOM 0 HA2 GLY B 72 0.696 -7.931 14.052 1.00 0.00 H new ATOM 0 HA3 GLY B 72 2.216 -8.224 14.873 1.00 0.00 H new ATOM 1504 N ASP B 73 3.110 -6.563 12.474 1.00 0.00 N ATOM 1505 CA ASP B 73 3.660 -5.317 11.958 1.00 0.00 C ATOM 1506 C ASP B 73 2.627 -4.611 11.090 1.00 0.00 C ATOM 1507 O ASP B 73 1.747 -5.257 10.508 1.00 0.00 O ATOM 1508 CB ASP B 73 4.934 -5.590 11.154 1.00 0.00 C ATOM 1509 CG ASP B 73 5.486 -4.341 10.494 1.00 0.00 C ATOM 1510 OD1 ASP B 73 5.789 -3.371 11.221 1.00 0.00 O ATOM 1511 OD2 ASP B 73 5.609 -4.329 9.252 1.00 0.00 O ATOM 0 H ASP B 73 3.431 -7.397 11.983 1.00 0.00 H new ATOM 0 HA ASP B 73 3.914 -4.670 12.798 1.00 0.00 H new ATOM 0 HB2 ASP B 73 5.692 -6.013 11.813 1.00 0.00 H new ATOM 0 HB3 ASP B 73 4.723 -6.338 10.389 1.00 0.00 H new ATOM 1516 N THR B 74 2.725 -3.296 11.010 1.00 0.00 N ATOM 1517 CA THR B 74 1.794 -2.514 10.225 1.00 0.00 C ATOM 1518 C THR B 74 2.538 -1.561 9.296 1.00 0.00 C ATOM 1519 O THR B 74 3.441 -0.840 9.722 1.00 0.00 O ATOM 1520 CB THR B 74 0.859 -1.705 11.147 1.00 0.00 C ATOM 1521 OG1 THR B 74 1.636 -1.011 12.133 1.00 0.00 O ATOM 1522 CG2 THR B 74 -0.143 -2.615 11.844 1.00 0.00 C ATOM 0 H THR B 74 3.444 -2.748 11.482 1.00 0.00 H new ATOM 0 HA THR B 74 1.200 -3.203 9.624 1.00 0.00 H new ATOM 0 HB THR B 74 0.310 -0.990 10.534 1.00 0.00 H new ATOM 0 HG1 THR B 74 2.408 -0.588 11.703 1.00 0.00 H new ATOM 0 HG21 THR B 74 -0.790 -2.019 12.488 1.00 0.00 H new ATOM 0 HG22 THR B 74 -0.748 -3.129 11.097 1.00 0.00 H new ATOM 0 HG23 THR B 74 0.391 -3.350 12.447 1.00 0.00 H new ATOM 1530 N THR B 75 2.141 -1.546 8.035 1.00 0.00 N ATOM 1531 CA THR B 75 2.773 -0.684 7.052 1.00 0.00 C ATOM 1532 C THR B 75 1.830 0.440 6.633 1.00 0.00 C ATOM 1533 O THR B 75 0.944 0.231 5.806 1.00 0.00 O ATOM 1534 CB THR B 75 3.178 -1.496 5.809 1.00 0.00 C ATOM 1535 OG1 THR B 75 3.364 -2.873 6.166 1.00 0.00 O ATOM 1536 CG2 THR B 75 4.458 -0.948 5.196 1.00 0.00 C ATOM 0 H THR B 75 1.383 -2.122 7.668 1.00 0.00 H new ATOM 0 HA THR B 75 3.663 -0.251 7.509 1.00 0.00 H new ATOM 0 HB THR B 75 2.379 -1.415 5.072 1.00 0.00 H new ATOM 0 HG1 THR B 75 4.059 -3.267 5.599 1.00 0.00 H new ATOM 0 HG21 THR B 75 4.723 -1.539 4.319 1.00 0.00 H new ATOM 0 HG22 THR B 75 4.305 0.090 4.901 1.00 0.00 H new ATOM 0 HG23 THR B 75 5.264 -1.002 5.928 1.00 0.00 H new ATOM 1544 N ASN B 76 2.012 1.628 7.208 1.00 0.00 N ATOM 1545 CA ASN B 76 1.161 2.769 6.873 1.00 0.00 C ATOM 1546 C ASN B 76 1.811 3.573 5.753 1.00 0.00 C ATOM 1547 O ASN B 76 2.891 4.135 5.926 1.00 0.00 O ATOM 1548 CB ASN B 76 0.867 3.685 8.093 1.00 0.00 C ATOM 1549 CG ASN B 76 0.581 2.943 9.401 1.00 0.00 C ATOM 1550 OD1 ASN B 76 1.004 1.810 9.604 1.00 0.00 O ATOM 1551 ND2 ASN B 76 -0.125 3.600 10.314 1.00 0.00 N ATOM 0 H ASN B 76 2.734 1.825 7.901 1.00 0.00 H new ATOM 0 HA ASN B 76 0.200 2.374 6.545 1.00 0.00 H new ATOM 0 HB2 ASN B 76 1.720 4.346 8.246 1.00 0.00 H new ATOM 0 HB3 ASN B 76 0.011 4.318 7.856 1.00 0.00 H new ATOM 0 HD21 ASN B 76 -0.329 3.163 11.213 1.00 0.00 H new ATOM 0 HD22 ASN B 76 -0.464 4.542 10.116 1.00 0.00 H new ATOM 1558 N PHE B 77 1.146 3.604 4.608 1.00 0.00 N ATOM 1559 CA PHE B 77 1.642 4.309 3.432 1.00 0.00 C ATOM 1560 C PHE B 77 1.183 5.758 3.417 1.00 0.00 C ATOM 1561 O PHE B 77 -0.010 6.041 3.465 1.00 0.00 O ATOM 1562 CB PHE B 77 1.196 3.599 2.154 1.00 0.00 C ATOM 1563 CG PHE B 77 2.081 2.442 1.796 1.00 0.00 C ATOM 1564 CD1 PHE B 77 3.401 2.659 1.434 1.00 0.00 C ATOM 1565 CD2 PHE B 77 1.603 1.142 1.825 1.00 0.00 C ATOM 1566 CE1 PHE B 77 4.228 1.603 1.110 1.00 0.00 C ATOM 1567 CE2 PHE B 77 2.427 0.081 1.499 1.00 0.00 C ATOM 1568 CZ PHE B 77 3.740 0.311 1.142 1.00 0.00 C ATOM 0 H PHE B 77 0.248 3.142 4.466 1.00 0.00 H new ATOM 0 HA PHE B 77 2.731 4.303 3.478 1.00 0.00 H new ATOM 0 HB2 PHE B 77 0.173 3.244 2.279 1.00 0.00 H new ATOM 0 HB3 PHE B 77 1.187 4.313 1.331 1.00 0.00 H new ATOM 0 HD1 PHE B 77 3.787 3.667 1.405 1.00 0.00 H new ATOM 0 HD2 PHE B 77 0.577 0.956 2.105 1.00 0.00 H new ATOM 0 HE1 PHE B 77 5.255 1.786 0.832 1.00 0.00 H new ATOM 0 HE2 PHE B 77 2.043 -0.928 1.524 1.00 0.00 H new ATOM 0 HZ PHE B 77 4.385 -0.517 0.888 1.00 0.00 H new ATOM 1578 N HIS B 78 2.145 6.662 3.336 1.00 0.00 N ATOM 1579 CA HIS B 78 1.886 8.096 3.328 1.00 0.00 C ATOM 1580 C HIS B 78 1.806 8.624 1.890 1.00 0.00 C ATOM 1581 O HIS B 78 2.822 8.735 1.202 1.00 0.00 O ATOM 1582 CB HIS B 78 3.008 8.790 4.124 1.00 0.00 C ATOM 1583 CG HIS B 78 3.066 10.287 4.018 1.00 0.00 C ATOM 1584 ND1 HIS B 78 4.162 11.026 4.410 1.00 0.00 N ATOM 1585 CD2 HIS B 78 2.162 11.184 3.546 1.00 0.00 C ATOM 1586 CE1 HIS B 78 3.900 12.314 4.167 1.00 0.00 C ATOM 1587 NE2 HIS B 78 2.702 12.466 3.641 1.00 0.00 N ATOM 0 H HIS B 78 3.134 6.422 3.273 1.00 0.00 H new ATOM 0 HA HIS B 78 0.925 8.309 3.796 1.00 0.00 H new ATOM 0 HB2 HIS B 78 2.897 8.525 5.175 1.00 0.00 H new ATOM 0 HB3 HIS B 78 3.964 8.385 3.792 1.00 0.00 H new ATOM 0 HD1 HIS B 78 5.022 10.655 4.814 1.00 0.00 H new ATOM 0 HD2 HIS B 78 1.183 10.943 3.159 1.00 0.00 H new ATOM 0 HE1 HIS B 78 4.582 13.125 4.375 1.00 0.00 H new ATOM 1595 N PHE B 79 0.599 8.937 1.431 1.00 0.00 N ATOM 1596 CA PHE B 79 0.421 9.475 0.087 1.00 0.00 C ATOM 1597 C PHE B 79 0.715 10.967 0.103 1.00 0.00 C ATOM 1598 O PHE B 79 -0.125 11.767 0.511 1.00 0.00 O ATOM 1599 CB PHE B 79 -1.000 9.244 -0.445 1.00 0.00 C ATOM 1600 CG PHE B 79 -1.317 7.822 -0.803 1.00 0.00 C ATOM 1601 CD1 PHE B 79 -0.812 7.257 -1.962 1.00 0.00 C ATOM 1602 CD2 PHE B 79 -2.145 7.061 0.005 1.00 0.00 C ATOM 1603 CE1 PHE B 79 -1.127 5.957 -2.309 1.00 0.00 C ATOM 1604 CE2 PHE B 79 -2.458 5.761 -0.334 1.00 0.00 C ATOM 1605 CZ PHE B 79 -1.952 5.208 -1.492 1.00 0.00 C ATOM 0 H PHE B 79 -0.264 8.829 1.964 1.00 0.00 H new ATOM 0 HA PHE B 79 1.112 8.953 -0.575 1.00 0.00 H new ATOM 0 HB2 PHE B 79 -1.713 9.582 0.307 1.00 0.00 H new ATOM 0 HB3 PHE B 79 -1.148 9.867 -1.327 1.00 0.00 H new ATOM 0 HD1 PHE B 79 -0.165 7.839 -2.602 1.00 0.00 H new ATOM 0 HD2 PHE B 79 -2.550 7.490 0.910 1.00 0.00 H new ATOM 0 HE1 PHE B 79 -0.729 5.527 -3.217 1.00 0.00 H new ATOM 0 HE2 PHE B 79 -3.100 5.176 0.308 1.00 0.00 H new ATOM 0 HZ PHE B 79 -2.200 4.192 -1.760 1.00 0.00 H new ATOM 1615 N SER B 80 1.902 11.342 -0.344 1.00 0.00 N ATOM 1616 CA SER B 80 2.301 12.740 -0.348 1.00 0.00 C ATOM 1617 C SER B 80 2.066 13.394 -1.703 1.00 0.00 C ATOM 1618 O SER B 80 2.798 14.301 -2.102 1.00 0.00 O ATOM 1619 CB SER B 80 3.769 12.851 0.042 1.00 0.00 C ATOM 1620 OG SER B 80 4.488 11.703 -0.377 1.00 0.00 O ATOM 0 H SER B 80 2.605 10.699 -0.708 1.00 0.00 H new ATOM 0 HA SER B 80 1.685 13.269 0.379 1.00 0.00 H new ATOM 0 HB2 SER B 80 4.204 13.743 -0.409 1.00 0.00 H new ATOM 0 HB3 SER B 80 3.856 12.966 1.122 1.00 0.00 H new ATOM 0 HG SER B 80 4.250 11.488 -1.303 1.00 0.00 H new ATOM 1626 N ASN B 81 1.057 12.929 -2.415 1.00 0.00 N ATOM 1627 CA ASN B 81 0.730 13.501 -3.710 1.00 0.00 C ATOM 1628 C ASN B 81 -0.494 14.385 -3.559 1.00 0.00 C ATOM 1629 O ASN B 81 -1.609 13.901 -3.443 1.00 0.00 O ATOM 1630 CB ASN B 81 0.491 12.415 -4.759 1.00 0.00 C ATOM 1631 CG ASN B 81 0.559 12.963 -6.175 1.00 0.00 C ATOM 1632 OD1 ASN B 81 0.114 14.078 -6.449 1.00 0.00 O ATOM 1633 ND2 ASN B 81 1.122 12.183 -7.086 1.00 0.00 N ATOM 0 H ASN B 81 0.452 12.162 -2.122 1.00 0.00 H new ATOM 0 HA ASN B 81 1.574 14.097 -4.058 1.00 0.00 H new ATOM 0 HB2 ASN B 81 1.234 11.627 -4.640 1.00 0.00 H new ATOM 0 HB3 ASN B 81 -0.486 11.960 -4.593 1.00 0.00 H new ATOM 0 HD21 ASN B 81 1.198 12.500 -8.052 1.00 0.00 H new ATOM 0 HD22 ASN B 81 1.479 11.265 -6.821 1.00 0.00 H new ATOM 1640 N GLU B 82 -0.266 15.682 -3.571 1.00 0.00 N ATOM 1641 CA GLU B 82 -1.315 16.677 -3.390 1.00 0.00 C ATOM 1642 C GLU B 82 -2.509 16.450 -4.321 1.00 0.00 C ATOM 1643 O GLU B 82 -3.659 16.626 -3.922 1.00 0.00 O ATOM 1644 CB GLU B 82 -0.741 18.083 -3.625 1.00 0.00 C ATOM 1645 CG GLU B 82 0.560 18.364 -2.874 1.00 0.00 C ATOM 1646 CD GLU B 82 1.787 17.787 -3.564 1.00 0.00 C ATOM 1647 OE1 GLU B 82 1.644 17.199 -4.660 1.00 0.00 O ATOM 1648 OE2 GLU B 82 2.901 17.892 -3.009 1.00 0.00 O ATOM 0 H GLU B 82 0.661 16.084 -3.708 1.00 0.00 H new ATOM 0 HA GLU B 82 -1.677 16.580 -2.367 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -0.567 18.218 -4.693 1.00 0.00 H new ATOM 0 HB3 GLU B 82 -1.486 18.821 -3.327 1.00 0.00 H new ATOM 0 HG2 GLU B 82 0.685 19.442 -2.767 1.00 0.00 H new ATOM 0 HG3 GLU B 82 0.488 17.950 -1.868 1.00 0.00 H new ATOM 1655 N SER B 83 -2.235 16.048 -5.551 1.00 0.00 N ATOM 1656 CA SER B 83 -3.290 15.846 -6.535 1.00 0.00 C ATOM 1657 C SER B 83 -3.893 14.433 -6.535 1.00 0.00 C ATOM 1658 O SER B 83 -5.020 14.247 -6.999 1.00 0.00 O ATOM 1659 CB SER B 83 -2.743 16.175 -7.923 1.00 0.00 C ATOM 1660 OG SER B 83 -1.945 17.346 -7.881 1.00 0.00 O ATOM 0 H SER B 83 -1.294 15.855 -5.893 1.00 0.00 H new ATOM 0 HA SER B 83 -4.105 16.515 -6.259 1.00 0.00 H new ATOM 0 HB2 SER B 83 -2.151 15.338 -8.294 1.00 0.00 H new ATOM 0 HB3 SER B 83 -3.568 16.316 -8.621 1.00 0.00 H new ATOM 0 HG SER B 83 -1.602 17.540 -8.778 1.00 0.00 H new ATOM 1666 N THR B 84 -3.178 13.432 -6.025 1.00 0.00 N ATOM 1667 CA THR B 84 -3.703 12.065 -6.075 1.00 0.00 C ATOM 1668 C THR B 84 -3.631 11.319 -4.741 1.00 0.00 C ATOM 1669 O THR B 84 -3.804 10.110 -4.707 1.00 0.00 O ATOM 1670 CB THR B 84 -2.950 11.232 -7.137 1.00 0.00 C ATOM 1671 OG1 THR B 84 -1.614 10.972 -6.703 1.00 0.00 O ATOM 1672 CG2 THR B 84 -2.908 11.946 -8.480 1.00 0.00 C ATOM 0 H THR B 84 -2.263 13.532 -5.586 1.00 0.00 H new ATOM 0 HA THR B 84 -4.756 12.175 -6.333 1.00 0.00 H new ATOM 0 HB THR B 84 -3.490 10.293 -7.260 1.00 0.00 H new ATOM 0 HG1 THR B 84 -1.147 10.442 -7.382 1.00 0.00 H new ATOM 0 HG21 THR B 84 -2.371 11.331 -9.202 1.00 0.00 H new ATOM 0 HG22 THR B 84 -3.925 12.116 -8.833 1.00 0.00 H new ATOM 0 HG23 THR B 84 -2.398 12.903 -8.368 1.00 0.00 H new ATOM 1680 N ALA B 85 -3.414 12.022 -3.648 1.00 0.00 N ATOM 1681 CA ALA B 85 -3.300 11.371 -2.341 1.00 0.00 C ATOM 1682 C ALA B 85 -4.582 10.645 -1.957 1.00 0.00 C ATOM 1683 O ALA B 85 -4.585 9.436 -1.732 1.00 0.00 O ATOM 1684 CB ALA B 85 -2.931 12.383 -1.270 1.00 0.00 C ATOM 0 H ALA B 85 -3.312 13.037 -3.629 1.00 0.00 H new ATOM 0 HA ALA B 85 -2.506 10.628 -2.417 1.00 0.00 H new ATOM 0 HB1 ALA B 85 -2.851 11.880 -0.306 1.00 0.00 H new ATOM 0 HB2 ALA B 85 -1.975 12.844 -1.519 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -3.702 13.152 -1.215 1.00 0.00 H new ATOM 1690 N VAL B 86 -5.664 11.398 -1.889 1.00 0.00 N ATOM 1691 CA VAL B 86 -6.972 10.855 -1.534 1.00 0.00 C ATOM 1692 C VAL B 86 -7.424 9.828 -2.563 1.00 0.00 C ATOM 1693 O VAL B 86 -7.926 8.753 -2.235 1.00 0.00 O ATOM 1694 CB VAL B 86 -8.022 11.983 -1.482 1.00 0.00 C ATOM 1695 CG1 VAL B 86 -9.371 11.455 -1.025 1.00 0.00 C ATOM 1696 CG2 VAL B 86 -7.550 13.119 -0.590 1.00 0.00 C ATOM 0 H VAL B 86 -5.667 12.401 -2.077 1.00 0.00 H new ATOM 0 HA VAL B 86 -6.881 10.381 -0.556 1.00 0.00 H new ATOM 0 HB VAL B 86 -8.144 12.375 -2.492 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -10.091 12.272 -0.998 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -9.717 10.690 -1.720 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -9.274 11.023 -0.029 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -8.307 13.903 -0.569 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -7.387 12.744 0.421 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -6.617 13.525 -0.981 1.00 0.00 H new ATOM 1706 N LYS B 87 -7.191 10.180 -3.810 1.00 0.00 N ATOM 1707 CA LYS B 87 -7.575 9.374 -4.951 1.00 0.00 C ATOM 1708 C LYS B 87 -6.871 8.027 -4.977 1.00 0.00 C ATOM 1709 O LYS B 87 -7.517 6.985 -5.070 1.00 0.00 O ATOM 1710 CB LYS B 87 -7.218 10.153 -6.205 1.00 0.00 C ATOM 1711 CG LYS B 87 -8.283 10.163 -7.279 1.00 0.00 C ATOM 1712 CD LYS B 87 -7.986 11.250 -8.297 1.00 0.00 C ATOM 1713 CE LYS B 87 -6.536 11.204 -8.756 1.00 0.00 C ATOM 1714 NZ LYS B 87 -6.172 9.886 -9.351 1.00 0.00 N ATOM 0 H LYS B 87 -6.721 11.049 -4.064 1.00 0.00 H new ATOM 0 HA LYS B 87 -8.644 9.171 -4.890 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -6.998 11.183 -5.924 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -6.304 9.735 -6.626 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -8.322 9.192 -7.773 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -9.262 10.332 -6.830 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -8.645 11.134 -9.158 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -8.200 12.226 -7.861 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -6.365 11.991 -9.490 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -5.882 11.410 -7.909 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -5.562 10.036 -10.180 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -5.663 9.315 -8.646 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -7.036 9.386 -9.643 1.00 0.00 H new ATOM 1728 N GLU B 88 -5.550 8.052 -4.881 1.00 0.00 N ATOM 1729 CA GLU B 88 -4.768 6.831 -4.934 1.00 0.00 C ATOM 1730 C GLU B 88 -5.021 5.987 -3.703 1.00 0.00 C ATOM 1731 O GLU B 88 -4.908 4.767 -3.745 1.00 0.00 O ATOM 1732 CB GLU B 88 -3.282 7.148 -5.085 1.00 0.00 C ATOM 1733 CG GLU B 88 -2.892 7.669 -6.470 1.00 0.00 C ATOM 1734 CD GLU B 88 -4.056 7.777 -7.444 1.00 0.00 C ATOM 1735 OE1 GLU B 88 -4.383 6.777 -8.106 1.00 0.00 O ATOM 1736 OE2 GLU B 88 -4.638 8.879 -7.560 1.00 0.00 O ATOM 0 H GLU B 88 -5.000 8.904 -4.766 1.00 0.00 H new ATOM 0 HA GLU B 88 -5.079 6.259 -5.808 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -3.002 7.890 -4.337 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -2.706 6.248 -4.872 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -2.432 8.651 -6.361 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -2.137 7.008 -6.895 1.00 0.00 H new ATOM 1743 N ARG B 89 -5.369 6.642 -2.602 1.00 0.00 N ATOM 1744 CA ARG B 89 -5.677 5.935 -1.374 1.00 0.00 C ATOM 1745 C ARG B 89 -6.801 4.950 -1.636 1.00 0.00 C ATOM 1746 O ARG B 89 -6.683 3.758 -1.358 1.00 0.00 O ATOM 1747 CB ARG B 89 -6.099 6.912 -0.276 1.00 0.00 C ATOM 1748 CG ARG B 89 -6.830 6.243 0.877 1.00 0.00 C ATOM 1749 CD ARG B 89 -7.637 7.241 1.682 1.00 0.00 C ATOM 1750 NE ARG B 89 -8.885 7.626 1.023 1.00 0.00 N ATOM 1751 CZ ARG B 89 -9.685 8.598 1.462 1.00 0.00 C ATOM 1752 NH1 ARG B 89 -9.389 9.255 2.575 1.00 0.00 N ATOM 1753 NH2 ARG B 89 -10.788 8.896 0.797 1.00 0.00 N ATOM 0 H ARG B 89 -5.444 7.657 -2.538 1.00 0.00 H new ATOM 0 HA ARG B 89 -4.785 5.406 -1.040 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -5.214 7.419 0.109 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -6.742 7.678 -0.709 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -7.492 5.469 0.488 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -6.109 5.749 1.528 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -7.864 6.814 2.659 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -7.034 8.132 1.857 1.00 0.00 H new ATOM 0 HE ARG B 89 -9.159 7.122 0.180 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -8.547 9.017 3.099 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -10.004 9.998 2.907 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -11.027 8.382 -0.051 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -11.401 9.640 1.132 1.00 0.00 H new ATOM 1767 N ASP B 90 -7.879 5.466 -2.202 1.00 0.00 N ATOM 1768 CA ASP B 90 -9.038 4.654 -2.518 1.00 0.00 C ATOM 1769 C ASP B 90 -8.729 3.677 -3.639 1.00 0.00 C ATOM 1770 O ASP B 90 -9.153 2.529 -3.600 1.00 0.00 O ATOM 1771 CB ASP B 90 -10.221 5.542 -2.902 1.00 0.00 C ATOM 1772 CG ASP B 90 -11.058 5.916 -1.699 1.00 0.00 C ATOM 1773 OD1 ASP B 90 -10.731 6.922 -1.037 1.00 0.00 O ATOM 1774 OD2 ASP B 90 -12.030 5.188 -1.402 1.00 0.00 O ATOM 0 H ASP B 90 -7.974 6.450 -2.453 1.00 0.00 H new ATOM 0 HA ASP B 90 -9.301 4.081 -1.629 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -9.854 6.448 -3.385 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -10.844 5.023 -3.630 1.00 0.00 H new ATOM 1779 N ALA B 91 -7.936 4.125 -4.600 1.00 0.00 N ATOM 1780 CA ALA B 91 -7.585 3.293 -5.755 1.00 0.00 C ATOM 1781 C ALA B 91 -6.771 2.074 -5.337 1.00 0.00 C ATOM 1782 O ALA B 91 -6.983 0.962 -5.825 1.00 0.00 O ATOM 1783 CB ALA B 91 -6.818 4.113 -6.785 1.00 0.00 C ATOM 0 H ALA B 91 -7.521 5.057 -4.609 1.00 0.00 H new ATOM 0 HA ALA B 91 -8.513 2.937 -6.204 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -6.564 3.482 -7.637 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -7.437 4.945 -7.121 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -5.904 4.499 -6.335 1.00 0.00 H new ATOM 1789 N VAL B 92 -5.851 2.293 -4.416 1.00 0.00 N ATOM 1790 CA VAL B 92 -4.993 1.233 -3.914 1.00 0.00 C ATOM 1791 C VAL B 92 -5.790 0.335 -2.981 1.00 0.00 C ATOM 1792 O VAL B 92 -5.720 -0.887 -3.078 1.00 0.00 O ATOM 1793 CB VAL B 92 -3.750 1.794 -3.181 1.00 0.00 C ATOM 1794 CG1 VAL B 92 -2.955 0.679 -2.525 1.00 0.00 C ATOM 1795 CG2 VAL B 92 -2.860 2.568 -4.142 1.00 0.00 C ATOM 0 H VAL B 92 -5.677 3.206 -3.996 1.00 0.00 H new ATOM 0 HA VAL B 92 -4.635 0.657 -4.767 1.00 0.00 H new ATOM 0 HB VAL B 92 -4.103 2.472 -2.404 1.00 0.00 H new ATOM 0 HG11 VAL B 92 -2.088 1.101 -2.017 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -3.584 0.162 -1.800 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -2.622 -0.027 -3.286 1.00 0.00 H new ATOM 0 HG21 VAL B 92 -1.993 2.953 -3.605 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -2.527 1.907 -4.942 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -3.421 3.399 -4.568 1.00 0.00 H new ATOM 1805 N LYS B 93 -6.564 0.960 -2.094 1.00 0.00 N ATOM 1806 CA LYS B 93 -7.412 0.237 -1.150 1.00 0.00 C ATOM 1807 C LYS B 93 -8.299 -0.740 -1.904 1.00 0.00 C ATOM 1808 O LYS B 93 -8.421 -1.910 -1.539 1.00 0.00 O ATOM 1809 CB LYS B 93 -8.276 1.233 -0.370 1.00 0.00 C ATOM 1810 CG LYS B 93 -9.421 0.602 0.407 1.00 0.00 C ATOM 1811 CD LYS B 93 -10.754 0.787 -0.308 1.00 0.00 C ATOM 1812 CE LYS B 93 -11.210 2.238 -0.278 1.00 0.00 C ATOM 1813 NZ LYS B 93 -12.196 2.533 -1.350 1.00 0.00 N ATOM 0 H LYS B 93 -6.620 1.975 -2.011 1.00 0.00 H new ATOM 0 HA LYS B 93 -6.786 -0.318 -0.451 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -7.639 1.780 0.326 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -8.686 1.963 -1.068 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -9.226 -0.462 0.544 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -9.476 1.047 1.401 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -10.662 0.456 -1.342 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -11.510 0.158 0.162 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -11.653 2.459 0.693 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -10.345 2.892 -0.390 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -12.404 3.552 -1.359 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -11.803 2.251 -2.271 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -13.072 2.002 -1.171 1.00 0.00 H new ATOM 1827 N ASP B 94 -8.903 -0.226 -2.962 1.00 0.00 N ATOM 1828 CA ASP B 94 -9.780 -0.989 -3.829 1.00 0.00 C ATOM 1829 C ASP B 94 -9.079 -2.213 -4.395 1.00 0.00 C ATOM 1830 O ASP B 94 -9.542 -3.338 -4.219 1.00 0.00 O ATOM 1831 CB ASP B 94 -10.274 -0.083 -4.957 1.00 0.00 C ATOM 1832 CG ASP B 94 -11.585 0.607 -4.625 1.00 0.00 C ATOM 1833 OD1 ASP B 94 -11.678 1.238 -3.548 1.00 0.00 O ATOM 1834 OD2 ASP B 94 -12.525 0.514 -5.438 1.00 0.00 O ATOM 0 H ASP B 94 -8.795 0.748 -3.246 1.00 0.00 H new ATOM 0 HA ASP B 94 -10.628 -1.347 -3.244 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -9.516 0.670 -5.170 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -10.399 -0.675 -5.864 1.00 0.00 H new ATOM 1839 N LEU B 95 -7.950 -1.996 -5.051 1.00 0.00 N ATOM 1840 CA LEU B 95 -7.190 -3.093 -5.638 1.00 0.00 C ATOM 1841 C LEU B 95 -6.720 -4.070 -4.566 1.00 0.00 C ATOM 1842 O LEU B 95 -6.751 -5.283 -4.764 1.00 0.00 O ATOM 1843 CB LEU B 95 -5.994 -2.555 -6.427 1.00 0.00 C ATOM 1844 CG LEU B 95 -6.100 -2.693 -7.950 1.00 0.00 C ATOM 1845 CD1 LEU B 95 -7.336 -1.976 -8.475 1.00 0.00 C ATOM 1846 CD2 LEU B 95 -4.848 -2.150 -8.620 1.00 0.00 C ATOM 0 H LEU B 95 -7.539 -1.073 -5.191 1.00 0.00 H new ATOM 0 HA LEU B 95 -7.848 -3.629 -6.321 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -5.862 -1.501 -6.182 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -5.096 -3.074 -6.093 1.00 0.00 H new ATOM 0 HG LEU B 95 -6.193 -3.752 -8.190 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -7.389 -2.088 -9.558 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -8.228 -2.408 -8.021 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -7.277 -0.917 -8.222 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -4.939 -2.255 -9.701 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -4.728 -1.097 -8.367 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -3.978 -2.708 -8.273 1.00 0.00 H new ATOM 1858 N LEU B 96 -6.319 -3.539 -3.418 1.00 0.00 N ATOM 1859 CA LEU B 96 -5.833 -4.368 -2.328 1.00 0.00 C ATOM 1860 C LEU B 96 -6.931 -5.258 -1.762 1.00 0.00 C ATOM 1861 O LEU B 96 -6.750 -6.468 -1.634 1.00 0.00 O ATOM 1862 CB LEU B 96 -5.235 -3.512 -1.224 1.00 0.00 C ATOM 1863 CG LEU B 96 -3.922 -2.854 -1.608 1.00 0.00 C ATOM 1864 CD1 LEU B 96 -3.336 -2.094 -0.433 1.00 0.00 C ATOM 1865 CD2 LEU B 96 -2.939 -3.885 -2.123 1.00 0.00 C ATOM 0 H LEU B 96 -6.322 -2.538 -3.220 1.00 0.00 H new ATOM 0 HA LEU B 96 -5.055 -5.013 -2.737 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -5.952 -2.739 -0.947 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -5.077 -4.131 -0.341 1.00 0.00 H new ATOM 0 HG LEU B 96 -4.120 -2.141 -2.408 1.00 0.00 H new ATOM 0 HD11 LEU B 96 -2.396 -1.631 -0.732 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -4.036 -1.321 -0.114 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -3.155 -2.783 0.392 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -2.004 -3.394 -2.393 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -2.748 -4.626 -1.346 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -3.356 -4.379 -3.001 1.00 0.00 H new ATOM 1877 N GLN B 97 -8.078 -4.663 -1.451 1.00 0.00 N ATOM 1878 CA GLN B 97 -9.198 -5.410 -0.890 1.00 0.00 C ATOM 1879 C GLN B 97 -9.731 -6.429 -1.892 1.00 0.00 C ATOM 1880 O GLN B 97 -10.367 -7.408 -1.511 1.00 0.00 O ATOM 1881 CB GLN B 97 -10.319 -4.467 -0.443 1.00 0.00 C ATOM 1882 CG GLN B 97 -11.081 -3.823 -1.587 1.00 0.00 C ATOM 1883 CD GLN B 97 -12.313 -3.069 -1.121 1.00 0.00 C ATOM 1884 OE1 GLN B 97 -13.316 -3.004 -1.829 1.00 0.00 O ATOM 1885 NE2 GLN B 97 -12.247 -2.490 0.071 1.00 0.00 N ATOM 0 H GLN B 97 -8.256 -3.667 -1.578 1.00 0.00 H new ATOM 0 HA GLN B 97 -8.832 -5.947 -0.015 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -11.020 -5.023 0.179 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -9.892 -3.683 0.182 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -10.420 -3.138 -2.118 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -11.379 -4.593 -2.298 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -11.397 -2.567 0.629 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -13.047 -1.968 0.429 1.00 0.00 H new ATOM 1894 N GLN B 98 -9.479 -6.189 -3.171 1.00 0.00 N ATOM 1895 CA GLN B 98 -9.922 -7.100 -4.218 1.00 0.00 C ATOM 1896 C GLN B 98 -8.997 -8.313 -4.322 1.00 0.00 C ATOM 1897 O GLN B 98 -9.446 -9.430 -4.574 1.00 0.00 O ATOM 1898 CB GLN B 98 -9.982 -6.374 -5.563 1.00 0.00 C ATOM 1899 CG GLN B 98 -11.204 -5.483 -5.718 1.00 0.00 C ATOM 1900 CD GLN B 98 -11.083 -4.516 -6.880 1.00 0.00 C ATOM 1901 OE1 GLN B 98 -10.464 -4.821 -7.898 1.00 0.00 O ATOM 1902 NE2 GLN B 98 -11.667 -3.337 -6.730 1.00 0.00 N ATOM 0 H GLN B 98 -8.971 -5.372 -3.509 1.00 0.00 H new ATOM 0 HA GLN B 98 -10.920 -7.452 -3.956 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -9.083 -5.768 -5.680 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -9.976 -7.112 -6.365 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -12.087 -6.106 -5.861 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -11.357 -4.920 -4.797 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -12.171 -3.123 -5.869 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -11.613 -2.643 -7.475 1.00 0.00 H new ATOM 1911 N LEU B 99 -7.705 -8.089 -4.116 1.00 0.00 N ATOM 1912 CA LEU B 99 -6.719 -9.156 -4.202 1.00 0.00 C ATOM 1913 C LEU B 99 -6.563 -9.902 -2.881 1.00 0.00 C ATOM 1914 O LEU B 99 -6.140 -11.055 -2.865 1.00 0.00 O ATOM 1915 CB LEU B 99 -5.374 -8.579 -4.631 1.00 0.00 C ATOM 1916 CG LEU B 99 -5.378 -7.936 -6.014 1.00 0.00 C ATOM 1917 CD1 LEU B 99 -4.299 -6.870 -6.112 1.00 0.00 C ATOM 1918 CD2 LEU B 99 -5.188 -8.989 -7.095 1.00 0.00 C ATOM 0 H LEU B 99 -7.316 -7.174 -3.887 1.00 0.00 H new ATOM 0 HA LEU B 99 -7.072 -9.873 -4.944 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -5.061 -7.835 -3.898 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -4.629 -9.375 -4.615 1.00 0.00 H new ATOM 0 HG LEU B 99 -6.346 -7.459 -6.166 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -4.318 -6.423 -7.106 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -4.481 -6.098 -5.364 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -3.323 -7.323 -5.936 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -5.194 -8.510 -8.074 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -4.235 -9.497 -6.945 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -5.999 -9.716 -7.042 1.00 0.00 H new ATOM 1930 N LEU B 100 -6.910 -9.243 -1.782 1.00 0.00 N ATOM 1931 CA LEU B 100 -6.793 -9.837 -0.448 1.00 0.00 C ATOM 1932 C LEU B 100 -7.493 -11.202 -0.324 1.00 0.00 C ATOM 1933 O LEU B 100 -6.866 -12.156 0.129 1.00 0.00 O ATOM 1934 CB LEU B 100 -7.311 -8.877 0.628 1.00 0.00 C ATOM 1935 CG LEU B 100 -6.263 -7.923 1.204 1.00 0.00 C ATOM 1936 CD1 LEU B 100 -6.908 -6.944 2.170 1.00 0.00 C ATOM 1937 CD2 LEU B 100 -5.154 -8.697 1.900 1.00 0.00 C ATOM 0 H LEU B 100 -7.277 -8.291 -1.785 1.00 0.00 H new ATOM 0 HA LEU B 100 -5.729 -10.014 -0.292 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -8.124 -8.287 0.206 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -7.733 -9.464 1.444 1.00 0.00 H new ATOM 0 HG LEU B 100 -5.825 -7.361 0.379 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -6.148 -6.273 2.570 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -7.666 -6.362 1.646 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -7.374 -7.493 2.988 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -4.420 -7.999 2.302 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -5.577 -9.287 2.713 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -4.669 -9.361 1.184 1.00 0.00 H new ATOM 1949 N PRO B 101 -8.783 -11.339 -0.728 1.00 0.00 N ATOM 1950 CA PRO B 101 -9.519 -12.616 -0.622 1.00 0.00 C ATOM 1951 C PRO B 101 -8.869 -13.759 -1.396 1.00 0.00 C ATOM 1952 O PRO B 101 -9.240 -14.920 -1.233 1.00 0.00 O ATOM 1953 CB PRO B 101 -10.897 -12.297 -1.211 1.00 0.00 C ATOM 1954 CG PRO B 101 -11.023 -10.818 -1.106 1.00 0.00 C ATOM 1955 CD PRO B 101 -9.636 -10.283 -1.301 1.00 0.00 C ATOM 0 HA PRO B 101 -9.545 -12.963 0.411 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -10.970 -12.628 -2.247 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -11.690 -12.802 -0.659 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -11.704 -10.428 -1.862 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -11.423 -10.526 -0.135 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -9.414 -10.114 -2.355 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -9.496 -9.331 -0.789 1.00 0.00 H new ATOM 1963 N LYS B 102 -7.902 -13.430 -2.235 1.00 0.00 N ATOM 1964 CA LYS B 102 -7.202 -14.432 -3.019 1.00 0.00 C ATOM 1965 C LYS B 102 -6.069 -15.044 -2.197 1.00 0.00 C ATOM 1966 O LYS B 102 -5.504 -16.072 -2.565 1.00 0.00 O ATOM 1967 CB LYS B 102 -6.636 -13.795 -4.297 1.00 0.00 C ATOM 1968 CG LYS B 102 -6.311 -14.793 -5.399 1.00 0.00 C ATOM 1969 CD LYS B 102 -5.003 -14.449 -6.110 1.00 0.00 C ATOM 1970 CE LYS B 102 -5.048 -13.071 -6.764 1.00 0.00 C ATOM 1971 NZ LYS B 102 -3.736 -12.691 -7.366 1.00 0.00 N ATOM 0 H LYS B 102 -7.583 -12.474 -2.391 1.00 0.00 H new ATOM 0 HA LYS B 102 -7.904 -15.219 -3.294 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -7.356 -13.071 -4.678 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -5.731 -13.242 -4.044 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -6.241 -15.794 -4.973 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -7.125 -14.811 -6.124 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -4.182 -14.483 -5.394 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -4.795 -15.203 -6.869 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -5.817 -13.062 -7.537 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -5.334 -12.327 -6.021 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -3.372 -11.839 -6.895 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -3.059 -13.471 -7.243 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -3.862 -12.499 -8.380 1.00 0.00 H new ATOM 1985 N PHE B 103 -5.741 -14.401 -1.079 1.00 0.00 N ATOM 1986 CA PHE B 103 -4.657 -14.869 -0.227 1.00 0.00 C ATOM 1987 C PHE B 103 -5.086 -15.033 1.228 1.00 0.00 C ATOM 1988 O PHE B 103 -4.589 -15.921 1.936 1.00 0.00 O ATOM 1989 CB PHE B 103 -3.488 -13.897 -0.313 1.00 0.00 C ATOM 1990 CG PHE B 103 -2.997 -13.696 -1.712 1.00 0.00 C ATOM 1991 CD1 PHE B 103 -3.570 -12.734 -2.525 1.00 0.00 C ATOM 1992 CD2 PHE B 103 -1.976 -14.477 -2.218 1.00 0.00 C ATOM 1993 CE1 PHE B 103 -3.133 -12.552 -3.816 1.00 0.00 C ATOM 1994 CE2 PHE B 103 -1.537 -14.302 -3.511 1.00 0.00 C ATOM 1995 CZ PHE B 103 -2.116 -13.339 -4.310 1.00 0.00 C ATOM 0 H PHE B 103 -6.209 -13.559 -0.745 1.00 0.00 H new ATOM 0 HA PHE B 103 -4.359 -15.854 -0.587 1.00 0.00 H new ATOM 0 HB2 PHE B 103 -3.791 -12.935 0.102 1.00 0.00 H new ATOM 0 HB3 PHE B 103 -2.669 -14.267 0.304 1.00 0.00 H new ATOM 0 HD1 PHE B 103 -4.370 -12.119 -2.141 1.00 0.00 H new ATOM 0 HD2 PHE B 103 -1.519 -15.231 -1.594 1.00 0.00 H new ATOM 0 HE1 PHE B 103 -3.585 -11.795 -4.440 1.00 0.00 H new ATOM 0 HE2 PHE B 103 -0.740 -14.919 -3.899 1.00 0.00 H new ATOM 0 HZ PHE B 103 -1.772 -13.202 -5.324 1.00 0.00 H new