USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=26 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= 1.06 K(o=3.7,f=0.69) USER MOD Set 1.2: B 83 SER OG : rot 93:sc= 1.27 USER MOD Set 1.3: B 84 THR OG1 : rot 125:sc= 1.37 USER MOD Set 2.1: B 66 GLN : amide:sc= -5.64! C(o=-7.4!,f=-8.1!) USER MOD Set 2.2: B 76 ASN : amide:sc= -1.73 K(o=-7.4,f=-11!) USER MOD Set 3.1: A 52 GLN : amide:sc= -8.61! C(o=-15!,f=-20!) USER MOD Set 3.2: B 56 SER OG : rot 70:sc= 1.93 USER MOD Set 3.3: B 64 GLN : amide:sc= -8.35! C(o=-15!,f=-18!) USER MOD Set 4.1: B 51 LYS NZ :NH3+ -141:sc= 1.24 (180deg=-0.421) USER MOD Set 4.2: B 52 CYS SG : rot -74:sc= 1.95 USER MOD Single : B 13 LYS NZ :NH3+ -130:sc= 0.616 (180deg=-2.96) USER MOD Single : B 14 LYS NZ :NH3+ 170:sc= 0.894 (180deg=0.6) USER MOD Single : B 17 GLN :FLIP amide:sc= -0.102 F(o=-1.2!,f=-0.1) USER MOD Single : B 18 LYS NZ :NH3+ -179:sc= 0.594 (180deg=0.578) USER MOD Single : B 19 LYS NZ :NH3+ -161:sc= -0.129 (180deg=-0.663) USER MOD Single : B 20 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 MET CE :methyl 175:sc= 0 (180deg=-0.0233) USER MOD Single : B 42 THR OG1 : rot 150:sc= -0.932 USER MOD Single : B 44 SER OG : rot 180:sc= 0.0742 USER MOD Single : B 45 HIS : no HD1:sc= -0.719 X(o=-0.72,f=-1.1) USER MOD Single : B 46 MET CE :methyl -152:sc= -0.213 (180deg=-1.1) USER MOD Single : B 47 TYR OH : rot 164:sc= 1.25 USER MOD Single : B 53 GLN : amide:sc= -0.364 K(o=-0.36,f=-3.1) USER MOD Single : B 54 LYS NZ :NH3+ -167:sc= 1.22 (180deg=1.07) USER MOD Single : B 60 LYS NZ :NH3+ 129:sc= -1.75! (180deg=-4.59!) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 70 HIS :FLIP no HE2:sc= -0.794 F(o=-2.6,f=-0.79) USER MOD Single : B 74 THR OG1 : rot 37:sc= 0.132 USER MOD Single : B 75 THR OG1 : rot 180:sc= 0 USER MOD Single : B 78 HIS : no HD1:sc= -2.69! X(o=-2.7!,f=-2.7) USER MOD Single : B 80 SER OG : rot -11:sc= -0.897 USER MOD Single : B 87 LYS NZ :NH3+ 176:sc= 0.588 (180deg=0.545) USER MOD Single : B 93 LYS NZ :NH3+ -167:sc= 2.37 (180deg=2.12) USER MOD Single : B 97 GLN :FLIP amide:sc= 0 F(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+ -168:sc= 0.955 (180deg=0.282) USER MOD ----------------------------------------------------------------- ATOM 134 N ILE A 50 -0.969 9.134 13.769 1.00 0.00 N ATOM 135 CA ILE A 50 -1.491 8.045 12.981 1.00 0.00 C ATOM 136 C ILE A 50 -2.080 6.956 13.864 1.00 0.00 C ATOM 137 O ILE A 50 -1.450 6.492 14.811 1.00 0.00 O ATOM 138 CB ILE A 50 -0.418 7.450 12.040 1.00 0.00 C ATOM 139 CG1 ILE A 50 -0.626 7.926 10.609 1.00 0.00 C ATOM 140 CG2 ILE A 50 -0.444 5.942 12.053 1.00 0.00 C ATOM 141 CD1 ILE A 50 0.511 7.544 9.690 1.00 0.00 C ATOM 0 HA ILE A 50 -2.288 8.457 12.363 1.00 0.00 H new ATOM 0 HB ILE A 50 0.548 7.795 12.408 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.555 7.506 10.223 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.741 9.010 10.605 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.323 5.559 11.380 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.252 5.583 13.064 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.422 5.592 11.724 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.305 7.911 8.684 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.438 7.986 10.055 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.611 6.459 9.667 1.00 0.00 H new ATOM 153 N GLU A 51 -3.336 6.689 13.547 1.00 0.00 N ATOM 154 CA GLU A 51 -4.211 5.651 14.120 1.00 0.00 C ATOM 155 C GLU A 51 -5.617 6.222 14.193 1.00 0.00 C ATOM 156 O GLU A 51 -6.301 6.193 15.213 1.00 0.00 O ATOM 157 CB GLU A 51 -3.756 5.054 15.456 1.00 0.00 C ATOM 158 CG GLU A 51 -2.732 3.927 15.285 1.00 0.00 C ATOM 159 CD GLU A 51 -2.875 3.185 13.962 1.00 0.00 C ATOM 160 OE1 GLU A 51 -2.312 3.650 12.944 1.00 0.00 O ATOM 161 OE2 GLU A 51 -3.550 2.137 13.931 1.00 0.00 O ATOM 0 H GLU A 51 -3.818 7.228 12.828 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.168 4.788 13.456 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.323 5.842 16.072 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.624 4.671 15.992 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.727 4.344 15.354 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.840 3.218 16.106 1.00 0.00 H new ATOM 168 N GLN A 52 -5.983 6.777 13.051 1.00 0.00 N ATOM 169 CA GLN A 52 -7.268 7.396 12.792 1.00 0.00 C ATOM 170 C GLN A 52 -7.695 6.910 11.445 1.00 0.00 C ATOM 171 O GLN A 52 -7.749 7.630 10.451 1.00 0.00 O ATOM 172 CB GLN A 52 -7.172 8.932 12.861 1.00 0.00 C ATOM 173 CG GLN A 52 -6.291 9.586 11.787 1.00 0.00 C ATOM 174 CD GLN A 52 -4.878 9.030 11.721 1.00 0.00 C ATOM 175 OE1 GLN A 52 -4.006 9.440 12.474 1.00 0.00 O ATOM 176 NE2 GLN A 52 -4.636 8.098 10.802 1.00 0.00 N ATOM 0 H GLN A 52 -5.362 6.809 12.242 1.00 0.00 H new ATOM 0 HA GLN A 52 -8.006 7.124 13.547 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.177 9.346 12.783 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.787 9.211 13.842 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.766 9.458 10.815 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.240 10.658 11.978 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.387 7.778 10.190 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.700 7.703 10.710 1.00 0.00 H new ATOM 185 N TRP A 53 -7.951 5.643 11.429 1.00 0.00 N ATOM 186 CA TRP A 53 -8.314 4.971 10.237 1.00 0.00 C ATOM 187 C TRP A 53 -9.759 4.551 10.296 1.00 0.00 C ATOM 188 O TRP A 53 -10.422 4.681 11.318 1.00 0.00 O ATOM 189 CB TRP A 53 -7.408 3.753 10.076 1.00 0.00 C ATOM 190 CG TRP A 53 -5.938 4.068 10.166 1.00 0.00 C ATOM 191 CD1 TRP A 53 -5.227 4.440 11.258 1.00 0.00 C ATOM 192 CD2 TRP A 53 -5.020 4.013 9.104 1.00 0.00 C ATOM 193 NE1 TRP A 53 -3.901 4.649 10.916 1.00 0.00 N ATOM 194 CE2 TRP A 53 -3.751 4.384 9.579 1.00 0.00 C ATOM 195 CE3 TRP A 53 -5.170 3.687 7.793 1.00 0.00 C ATOM 196 CZ2 TRP A 53 -2.633 4.433 8.725 1.00 0.00 C ATOM 197 CZ3 TRP A 53 -4.105 3.722 6.969 1.00 0.00 C ATOM 198 CH2 TRP A 53 -2.851 4.092 7.420 1.00 0.00 C ATOM 0 H TRP A 53 -7.912 5.045 12.254 1.00 0.00 H new ATOM 0 HA TRP A 53 -8.193 5.635 9.381 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -7.660 3.021 10.844 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -7.611 3.287 9.112 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -5.635 4.557 12.251 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -3.161 4.949 11.551 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -6.140 3.401 7.413 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.656 4.724 9.082 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -4.234 3.455 5.931 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -2.025 4.112 6.725 1.00 0.00 H new ATOM 209 N PHE A 54 -10.252 4.117 9.163 1.00 0.00 N ATOM 210 CA PHE A 54 -11.600 3.608 9.061 1.00 0.00 C ATOM 211 C PHE A 54 -11.485 2.124 9.016 1.00 0.00 C ATOM 212 O PHE A 54 -12.464 1.408 8.812 1.00 0.00 O ATOM 213 CB PHE A 54 -12.248 4.118 7.794 1.00 0.00 C ATOM 214 CG PHE A 54 -12.191 5.595 7.708 1.00 0.00 C ATOM 215 CD1 PHE A 54 -12.472 6.360 8.821 1.00 0.00 C ATOM 216 CD2 PHE A 54 -11.862 6.223 6.528 1.00 0.00 C ATOM 217 CE1 PHE A 54 -12.431 7.719 8.765 1.00 0.00 C ATOM 218 CE2 PHE A 54 -11.826 7.585 6.456 1.00 0.00 C ATOM 219 CZ PHE A 54 -12.115 8.344 7.581 1.00 0.00 C ATOM 0 H PHE A 54 -9.732 4.106 8.285 1.00 0.00 H new ATOM 0 HA PHE A 54 -12.213 3.931 9.902 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -11.748 3.683 6.929 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -13.287 3.791 7.759 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -12.728 5.873 9.750 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -11.631 5.633 5.653 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.646 8.305 9.647 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -11.573 8.071 5.525 1.00 0.00 H new ATOM 0 HZ PHE A 54 -12.092 9.422 7.527 1.00 0.00 H new ATOM 246 N GLU A 56 -10.766 -0.446 7.158 1.00 0.00 N ATOM 247 CA GLU A 56 -11.626 -1.242 6.280 1.00 0.00 C ATOM 248 C GLU A 56 -11.791 -2.668 6.775 1.00 0.00 C ATOM 249 O GLU A 56 -12.901 -3.123 7.055 1.00 0.00 O ATOM 250 CB GLU A 56 -11.029 -1.243 4.885 1.00 0.00 C ATOM 251 CG GLU A 56 -11.306 0.042 4.116 1.00 0.00 C ATOM 252 CD GLU A 56 -11.547 -0.225 2.650 1.00 0.00 C ATOM 253 OE1 GLU A 56 -10.976 -1.209 2.128 1.00 0.00 O ATOM 254 OE2 GLU A 56 -12.303 0.540 2.019 1.00 0.00 O ATOM 0 HA GLU A 56 -12.618 -0.791 6.273 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.952 -1.391 4.957 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.430 -2.088 4.325 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.176 0.541 4.543 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.462 0.722 4.228 1.00 0.00 H new ATOM 261 N ASP A 57 -10.684 -3.368 6.869 1.00 0.00 N ATOM 262 CA ASP A 57 -10.688 -4.727 7.365 1.00 0.00 C ATOM 263 C ASP A 57 -9.973 -4.729 8.702 1.00 0.00 C ATOM 264 O ASP A 57 -8.762 -4.586 8.749 1.00 0.00 O ATOM 265 CB ASP A 57 -9.998 -5.684 6.379 1.00 0.00 C ATOM 266 CG ASP A 57 -10.082 -7.152 6.798 1.00 0.00 C ATOM 267 OD1 ASP A 57 -10.003 -7.448 8.011 1.00 0.00 O ATOM 268 OD2 ASP A 57 -10.216 -8.020 5.908 1.00 0.00 O ATOM 0 H ASP A 57 -9.763 -3.017 6.607 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.714 -5.078 7.479 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -10.451 -5.568 5.395 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -8.950 -5.401 6.283 1.00 0.00 H new ATOM 415 N GLU B 7 3.443 -9.238 -11.389 1.00 0.00 N ATOM 416 CA GLU B 7 2.790 -8.404 -12.380 1.00 0.00 C ATOM 417 C GLU B 7 2.467 -7.052 -11.761 1.00 0.00 C ATOM 418 O GLU B 7 1.902 -6.986 -10.673 1.00 0.00 O ATOM 419 CB GLU B 7 1.514 -9.088 -12.876 1.00 0.00 C ATOM 420 CG GLU B 7 0.606 -8.185 -13.691 1.00 0.00 C ATOM 421 CD GLU B 7 -0.826 -8.673 -13.696 1.00 0.00 C ATOM 422 OE1 GLU B 7 -1.483 -8.578 -12.640 1.00 0.00 O ATOM 423 OE2 GLU B 7 -1.286 -9.156 -14.750 1.00 0.00 O ATOM 0 HA GLU B 7 3.453 -8.256 -13.232 1.00 0.00 H new ATOM 0 HB2 GLU B 7 1.789 -9.952 -13.482 1.00 0.00 H new ATOM 0 HB3 GLU B 7 0.959 -9.465 -12.017 1.00 0.00 H new ATOM 0 HG2 GLU B 7 0.643 -7.174 -13.286 1.00 0.00 H new ATOM 0 HG3 GLU B 7 0.974 -8.131 -14.716 1.00 0.00 H new ATOM 430 N VAL B 8 2.841 -5.980 -12.441 1.00 0.00 N ATOM 431 CA VAL B 8 2.596 -4.640 -11.941 1.00 0.00 C ATOM 432 C VAL B 8 1.186 -4.193 -12.292 1.00 0.00 C ATOM 433 O VAL B 8 0.841 -4.044 -13.463 1.00 0.00 O ATOM 434 CB VAL B 8 3.617 -3.628 -12.501 1.00 0.00 C ATOM 435 CG1 VAL B 8 3.482 -2.288 -11.795 1.00 0.00 C ATOM 436 CG2 VAL B 8 5.036 -4.165 -12.367 1.00 0.00 C ATOM 0 H VAL B 8 3.316 -6.014 -13.343 1.00 0.00 H new ATOM 0 HA VAL B 8 2.708 -4.671 -10.857 1.00 0.00 H new ATOM 0 HB VAL B 8 3.407 -3.481 -13.560 1.00 0.00 H new ATOM 0 HG11 VAL B 8 4.210 -1.587 -12.203 1.00 0.00 H new ATOM 0 HG12 VAL B 8 2.476 -1.896 -11.947 1.00 0.00 H new ATOM 0 HG13 VAL B 8 3.663 -2.419 -10.728 1.00 0.00 H new ATOM 0 HG21 VAL B 8 5.740 -3.436 -12.768 1.00 0.00 H new ATOM 0 HG22 VAL B 8 5.259 -4.345 -11.315 1.00 0.00 H new ATOM 0 HG23 VAL B 8 5.125 -5.099 -12.922 1.00 0.00 H new ATOM 446 N LEU B 9 0.386 -3.977 -11.265 1.00 0.00 N ATOM 447 CA LEU B 9 -0.990 -3.562 -11.426 1.00 0.00 C ATOM 448 C LEU B 9 -1.103 -2.062 -11.280 1.00 0.00 C ATOM 449 O LEU B 9 -1.850 -1.408 -12.005 1.00 0.00 O ATOM 450 CB LEU B 9 -1.864 -4.236 -10.370 1.00 0.00 C ATOM 451 CG LEU B 9 -2.193 -5.700 -10.634 1.00 0.00 C ATOM 452 CD1 LEU B 9 -2.732 -6.355 -9.374 1.00 0.00 C ATOM 453 CD2 LEU B 9 -3.206 -5.821 -11.761 1.00 0.00 C ATOM 0 H LEU B 9 0.676 -4.086 -10.293 1.00 0.00 H new ATOM 0 HA LEU B 9 -1.327 -3.854 -12.421 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -1.362 -4.162 -9.405 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -2.798 -3.680 -10.287 1.00 0.00 H new ATOM 0 HG LEU B 9 -1.278 -6.212 -10.931 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -2.963 -7.401 -9.578 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -1.983 -6.296 -8.584 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -3.638 -5.839 -9.055 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.430 -6.873 -11.937 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -4.121 -5.296 -11.486 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -2.794 -5.381 -12.669 1.00 0.00 H new ATOM 465 N LEU B 10 -0.353 -1.517 -10.336 1.00 0.00 N ATOM 466 CA LEU B 10 -0.398 -0.094 -10.093 1.00 0.00 C ATOM 467 C LEU B 10 0.956 0.438 -9.668 1.00 0.00 C ATOM 468 O LEU B 10 1.736 -0.252 -9.012 1.00 0.00 O ATOM 469 CB LEU B 10 -1.388 0.216 -8.980 1.00 0.00 C ATOM 470 CG LEU B 10 -2.091 1.575 -9.095 1.00 0.00 C ATOM 471 CD1 LEU B 10 -3.012 1.604 -10.306 1.00 0.00 C ATOM 472 CD2 LEU B 10 -2.870 1.888 -7.829 1.00 0.00 C ATOM 0 H LEU B 10 0.286 -2.036 -9.734 1.00 0.00 H new ATOM 0 HA LEU B 10 -0.701 0.382 -11.026 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.146 -0.567 -8.960 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -0.863 0.176 -8.026 1.00 0.00 H new ATOM 0 HG LEU B 10 -1.326 2.341 -9.225 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -3.500 2.576 -10.369 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -2.429 1.432 -11.211 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -3.767 0.824 -10.207 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.360 2.856 -7.933 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -3.622 1.116 -7.664 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -2.188 1.916 -6.980 1.00 0.00 H new ATOM 484 N ILE B 11 1.218 1.665 -10.060 1.00 0.00 N ATOM 485 CA ILE B 11 2.436 2.359 -9.685 1.00 0.00 C ATOM 486 C ILE B 11 2.066 3.718 -9.115 1.00 0.00 C ATOM 487 O ILE B 11 1.670 4.623 -9.849 1.00 0.00 O ATOM 488 CB ILE B 11 3.400 2.551 -10.879 1.00 0.00 C ATOM 489 CG1 ILE B 11 3.807 1.197 -11.462 1.00 0.00 C ATOM 490 CG2 ILE B 11 4.634 3.339 -10.449 1.00 0.00 C ATOM 491 CD1 ILE B 11 4.699 1.301 -12.681 1.00 0.00 C ATOM 0 H ILE B 11 0.592 2.214 -10.650 1.00 0.00 H new ATOM 0 HA ILE B 11 2.955 1.749 -8.945 1.00 0.00 H new ATOM 0 HB ILE B 11 2.881 3.118 -11.652 1.00 0.00 H new ATOM 0 HG12 ILE B 11 4.323 0.621 -10.694 1.00 0.00 H new ATOM 0 HG13 ILE B 11 2.908 0.641 -11.727 1.00 0.00 H new ATOM 0 HG21 ILE B 11 5.301 3.464 -11.302 1.00 0.00 H new ATOM 0 HG22 ILE B 11 4.330 4.318 -10.079 1.00 0.00 H new ATOM 0 HG23 ILE B 11 5.154 2.798 -9.658 1.00 0.00 H new ATOM 0 HD11 ILE B 11 4.946 0.301 -13.038 1.00 0.00 H new ATOM 0 HD12 ILE B 11 4.179 1.849 -13.467 1.00 0.00 H new ATOM 0 HD13 ILE B 11 5.616 1.828 -12.417 1.00 0.00 H new ATOM 503 N VAL B 12 2.194 3.847 -7.809 1.00 0.00 N ATOM 504 CA VAL B 12 1.878 5.086 -7.125 1.00 0.00 C ATOM 505 C VAL B 12 3.160 5.867 -6.900 1.00 0.00 C ATOM 506 O VAL B 12 4.212 5.281 -6.658 1.00 0.00 O ATOM 507 CB VAL B 12 1.172 4.831 -5.778 1.00 0.00 C ATOM 508 CG1 VAL B 12 0.524 6.105 -5.261 1.00 0.00 C ATOM 509 CG2 VAL B 12 0.139 3.722 -5.912 1.00 0.00 C ATOM 0 H VAL B 12 2.518 3.100 -7.195 1.00 0.00 H new ATOM 0 HA VAL B 12 1.192 5.659 -7.749 1.00 0.00 H new ATOM 0 HB VAL B 12 1.924 4.512 -5.056 1.00 0.00 H new ATOM 0 HG11 VAL B 12 0.032 5.903 -4.310 1.00 0.00 H new ATOM 0 HG12 VAL B 12 1.288 6.870 -5.119 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -0.213 6.457 -5.983 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -0.347 3.559 -4.950 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.608 4.008 -6.652 1.00 0.00 H new ATOM 0 HG23 VAL B 12 0.631 2.803 -6.230 1.00 0.00 H new ATOM 519 N LYS B 13 3.079 7.181 -6.979 1.00 0.00 N ATOM 520 CA LYS B 13 4.259 8.020 -6.823 1.00 0.00 C ATOM 521 C LYS B 13 4.213 8.849 -5.555 1.00 0.00 C ATOM 522 O LYS B 13 3.152 9.050 -4.966 1.00 0.00 O ATOM 523 CB LYS B 13 4.409 8.943 -8.027 1.00 0.00 C ATOM 524 CG LYS B 13 4.018 8.279 -9.327 1.00 0.00 C ATOM 525 CD LYS B 13 2.656 8.760 -9.806 1.00 0.00 C ATOM 526 CE LYS B 13 2.003 7.755 -10.739 1.00 0.00 C ATOM 527 NZ LYS B 13 0.798 7.130 -10.133 1.00 0.00 N ATOM 0 H LYS B 13 2.213 7.693 -7.150 1.00 0.00 H new ATOM 0 HA LYS B 13 5.118 7.353 -6.753 1.00 0.00 H new ATOM 0 HB2 LYS B 13 3.793 9.830 -7.878 1.00 0.00 H new ATOM 0 HB3 LYS B 13 5.443 9.281 -8.094 1.00 0.00 H new ATOM 0 HG2 LYS B 13 4.769 8.492 -10.087 1.00 0.00 H new ATOM 0 HG3 LYS B 13 3.998 7.197 -9.194 1.00 0.00 H new ATOM 0 HD2 LYS B 13 2.008 8.934 -8.947 1.00 0.00 H new ATOM 0 HD3 LYS B 13 2.767 9.715 -10.320 1.00 0.00 H new ATOM 0 HE2 LYS B 13 1.725 8.252 -11.668 1.00 0.00 H new ATOM 0 HE3 LYS B 13 2.723 6.978 -10.996 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 0.860 6.096 -10.225 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 0.744 7.385 -9.126 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -0.054 7.471 -10.623 1.00 0.00 H new ATOM 541 N LYS B 14 5.392 9.336 -5.165 1.00 0.00 N ATOM 542 CA LYS B 14 5.564 10.154 -3.979 1.00 0.00 C ATOM 543 C LYS B 14 4.966 9.489 -2.746 1.00 0.00 C ATOM 544 O LYS B 14 4.478 10.161 -1.834 1.00 0.00 O ATOM 545 CB LYS B 14 4.953 11.526 -4.218 1.00 0.00 C ATOM 546 CG LYS B 14 5.928 12.538 -4.806 1.00 0.00 C ATOM 547 CD LYS B 14 5.951 13.833 -4.006 1.00 0.00 C ATOM 548 CE LYS B 14 6.798 13.702 -2.749 1.00 0.00 C ATOM 549 NZ LYS B 14 8.234 13.454 -3.068 1.00 0.00 N ATOM 0 H LYS B 14 6.260 9.168 -5.674 1.00 0.00 H new ATOM 0 HA LYS B 14 6.631 10.269 -3.786 1.00 0.00 H new ATOM 0 HB2 LYS B 14 4.102 11.422 -4.891 1.00 0.00 H new ATOM 0 HB3 LYS B 14 4.568 11.912 -3.274 1.00 0.00 H new ATOM 0 HG2 LYS B 14 6.929 12.107 -4.829 1.00 0.00 H new ATOM 0 HG3 LYS B 14 5.650 12.753 -5.838 1.00 0.00 H new ATOM 0 HD2 LYS B 14 6.344 14.638 -4.627 1.00 0.00 H new ATOM 0 HD3 LYS B 14 4.933 14.110 -3.732 1.00 0.00 H new ATOM 0 HE2 LYS B 14 6.710 14.612 -2.156 1.00 0.00 H new ATOM 0 HE3 LYS B 14 6.416 12.885 -2.137 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 8.802 13.539 -2.201 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 8.342 12.497 -3.460 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 8.560 14.153 -3.766 1.00 0.00 H new ATOM 563 N VAL B 15 4.998 8.166 -2.728 1.00 0.00 N ATOM 564 CA VAL B 15 4.480 7.425 -1.588 1.00 0.00 C ATOM 565 C VAL B 15 5.538 7.368 -0.503 1.00 0.00 C ATOM 566 O VAL B 15 6.599 6.783 -0.690 1.00 0.00 O ATOM 567 CB VAL B 15 4.032 6.000 -1.961 1.00 0.00 C ATOM 568 CG1 VAL B 15 3.333 5.335 -0.785 1.00 0.00 C ATOM 569 CG2 VAL B 15 3.119 6.047 -3.168 1.00 0.00 C ATOM 0 H VAL B 15 5.373 7.588 -3.480 1.00 0.00 H new ATOM 0 HA VAL B 15 3.596 7.951 -1.228 1.00 0.00 H new ATOM 0 HB VAL B 15 4.912 5.407 -2.210 1.00 0.00 H new ATOM 0 HG11 VAL B 15 3.023 4.329 -1.067 1.00 0.00 H new ATOM 0 HG12 VAL B 15 4.018 5.280 0.061 1.00 0.00 H new ATOM 0 HG13 VAL B 15 2.456 5.919 -0.505 1.00 0.00 H new ATOM 0 HG21 VAL B 15 2.806 5.036 -3.427 1.00 0.00 H new ATOM 0 HG22 VAL B 15 2.241 6.651 -2.937 1.00 0.00 H new ATOM 0 HG23 VAL B 15 3.652 6.488 -4.010 1.00 0.00 H new ATOM 579 N ARG B 16 5.244 7.993 0.618 1.00 0.00 N ATOM 580 CA ARG B 16 6.159 8.051 1.733 1.00 0.00 C ATOM 581 C ARG B 16 5.937 6.918 2.710 1.00 0.00 C ATOM 582 O ARG B 16 4.862 6.773 3.291 1.00 0.00 O ATOM 583 CB ARG B 16 6.032 9.389 2.463 1.00 0.00 C ATOM 584 CG ARG B 16 6.514 10.561 1.637 1.00 0.00 C ATOM 585 CD ARG B 16 6.693 11.819 2.467 1.00 0.00 C ATOM 586 NE ARG B 16 8.010 12.415 2.251 1.00 0.00 N ATOM 587 CZ ARG B 16 8.371 13.628 2.655 1.00 0.00 C ATOM 588 NH1 ARG B 16 7.516 14.404 3.316 1.00 0.00 N ATOM 589 NH2 ARG B 16 9.594 14.063 2.380 1.00 0.00 N ATOM 0 H ARG B 16 4.360 8.476 0.780 1.00 0.00 H new ATOM 0 HA ARG B 16 7.165 7.951 1.324 1.00 0.00 H new ATOM 0 HB2 ARG B 16 4.989 9.549 2.737 1.00 0.00 H new ATOM 0 HB3 ARG B 16 6.603 9.346 3.391 1.00 0.00 H new ATOM 0 HG2 ARG B 16 7.462 10.303 1.164 1.00 0.00 H new ATOM 0 HG3 ARG B 16 5.800 10.756 0.836 1.00 0.00 H new ATOM 0 HD2 ARG B 16 5.918 12.541 2.209 1.00 0.00 H new ATOM 0 HD3 ARG B 16 6.568 11.581 3.523 1.00 0.00 H new ATOM 0 HE ARG B 16 8.704 11.858 1.753 1.00 0.00 H new ATOM 0 HH11 ARG B 16 6.574 14.069 3.517 1.00 0.00 H new ATOM 0 HH12 ARG B 16 7.803 15.334 3.622 1.00 0.00 H new ATOM 0 HH21 ARG B 16 10.243 13.468 1.865 1.00 0.00 H new ATOM 0 HH22 ARG B 16 9.885 14.992 2.684 1.00 0.00 H new ATOM 603 N GLN B 17 6.965 6.121 2.886 1.00 0.00 N ATOM 604 CA GLN B 17 6.924 5.031 3.827 1.00 0.00 C ATOM 605 C GLN B 17 7.798 5.430 4.997 1.00 0.00 C ATOM 606 O GLN B 17 9.023 5.437 4.894 1.00 0.00 O ATOM 607 CB GLN B 17 7.422 3.733 3.185 1.00 0.00 C ATOM 608 CG GLN B 17 6.820 2.477 3.798 1.00 0.00 C ATOM 609 CD GLN B 17 7.408 2.126 5.155 1.00 0.00 C ATOM 610 OE1 GLN B 17 8.703 2.355 5.328 1.00 0.00 O flip ATOM 611 NE2 GLN B 17 6.706 1.642 6.036 1.00 0.00 N flip ATOM 0 H GLN B 17 7.848 6.211 2.383 1.00 0.00 H new ATOM 0 HA GLN B 17 5.902 4.842 4.156 1.00 0.00 H new ATOM 0 HB2 GLN B 17 7.191 3.753 2.120 1.00 0.00 H new ATOM 0 HB3 GLN B 17 8.507 3.686 3.275 1.00 0.00 H new ATOM 0 HG2 GLN B 17 5.743 2.612 3.901 1.00 0.00 H new ATOM 0 HG3 GLN B 17 6.973 1.640 3.117 1.00 0.00 H new ATOM 0 HE21 GLN B 17 5.713 1.480 5.866 1.00 0.00 H new ATOM 0 HE22 GLN B 17 7.115 1.401 6.939 1.00 0.00 H new ATOM 620 N LYS B 18 7.149 5.804 6.089 1.00 0.00 N ATOM 621 CA LYS B 18 7.840 6.250 7.290 1.00 0.00 C ATOM 622 C LYS B 18 8.686 7.497 6.999 1.00 0.00 C ATOM 623 O LYS B 18 9.873 7.546 7.324 1.00 0.00 O ATOM 624 CB LYS B 18 8.705 5.128 7.880 1.00 0.00 C ATOM 625 CG LYS B 18 8.481 4.896 9.370 1.00 0.00 C ATOM 626 CD LYS B 18 9.299 5.854 10.227 1.00 0.00 C ATOM 627 CE LYS B 18 8.648 7.227 10.336 1.00 0.00 C ATOM 628 NZ LYS B 18 9.622 8.308 10.065 1.00 0.00 N ATOM 0 H LYS B 18 6.132 5.807 6.168 1.00 0.00 H new ATOM 0 HA LYS B 18 7.087 6.515 8.032 1.00 0.00 H new ATOM 0 HB2 LYS B 18 8.499 4.202 7.343 1.00 0.00 H new ATOM 0 HB3 LYS B 18 9.755 5.366 7.713 1.00 0.00 H new ATOM 0 HG2 LYS B 18 7.423 5.017 9.601 1.00 0.00 H new ATOM 0 HG3 LYS B 18 8.746 3.869 9.621 1.00 0.00 H new ATOM 0 HD2 LYS B 18 9.422 5.432 11.224 1.00 0.00 H new ATOM 0 HD3 LYS B 18 10.296 5.959 9.800 1.00 0.00 H new ATOM 0 HE2 LYS B 18 7.820 7.296 9.631 1.00 0.00 H new ATOM 0 HE3 LYS B 18 8.228 7.355 11.334 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 9.153 9.231 10.164 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 10.408 8.245 10.743 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 9.991 8.209 9.098 1.00 0.00 H new ATOM 642 N LYS B 19 8.044 8.490 6.373 1.00 0.00 N ATOM 643 CA LYS B 19 8.666 9.782 6.035 1.00 0.00 C ATOM 644 C LYS B 19 9.594 9.706 4.818 1.00 0.00 C ATOM 645 O LYS B 19 10.246 10.692 4.482 1.00 0.00 O ATOM 646 CB LYS B 19 9.428 10.367 7.236 1.00 0.00 C ATOM 647 CG LYS B 19 9.327 11.883 7.349 1.00 0.00 C ATOM 648 CD LYS B 19 10.698 12.547 7.403 1.00 0.00 C ATOM 649 CE LYS B 19 11.379 12.348 8.752 1.00 0.00 C ATOM 650 NZ LYS B 19 10.544 12.838 9.880 1.00 0.00 N ATOM 0 H LYS B 19 7.069 8.422 6.083 1.00 0.00 H new ATOM 0 HA LYS B 19 7.842 10.445 5.773 1.00 0.00 H new ATOM 0 HB2 LYS B 19 9.044 9.917 8.152 1.00 0.00 H new ATOM 0 HB3 LYS B 19 10.479 10.087 7.159 1.00 0.00 H new ATOM 0 HG2 LYS B 19 8.769 12.273 6.498 1.00 0.00 H new ATOM 0 HG3 LYS B 19 8.764 12.142 8.245 1.00 0.00 H new ATOM 0 HD2 LYS B 19 11.330 12.138 6.615 1.00 0.00 H new ATOM 0 HD3 LYS B 19 10.592 13.614 7.205 1.00 0.00 H new ATOM 0 HE2 LYS B 19 11.595 11.289 8.895 1.00 0.00 H new ATOM 0 HE3 LYS B 19 12.335 12.872 8.755 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 11.143 12.985 10.717 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 10.094 13.737 9.614 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 9.810 12.135 10.099 1.00 0.00 H new ATOM 664 N GLN B 20 9.648 8.562 4.147 1.00 0.00 N ATOM 665 CA GLN B 20 10.506 8.429 2.969 1.00 0.00 C ATOM 666 C GLN B 20 9.655 8.369 1.715 1.00 0.00 C ATOM 667 O GLN B 20 8.891 7.428 1.534 1.00 0.00 O ATOM 668 CB GLN B 20 11.363 7.168 3.061 1.00 0.00 C ATOM 669 CG GLN B 20 12.116 7.043 4.366 1.00 0.00 C ATOM 670 CD GLN B 20 13.161 5.952 4.336 1.00 0.00 C ATOM 671 OE1 GLN B 20 13.013 4.944 3.645 1.00 0.00 O ATOM 672 NE2 GLN B 20 14.228 6.150 5.084 1.00 0.00 N ATOM 0 H GLN B 20 9.119 7.724 4.390 1.00 0.00 H new ATOM 0 HA GLN B 20 11.164 9.297 2.926 1.00 0.00 H new ATOM 0 HB2 GLN B 20 10.724 6.294 2.935 1.00 0.00 H new ATOM 0 HB3 GLN B 20 12.077 7.163 2.237 1.00 0.00 H new ATOM 0 HG2 GLN B 20 12.597 7.994 4.596 1.00 0.00 H new ATOM 0 HG3 GLN B 20 11.409 6.841 5.170 1.00 0.00 H new ATOM 0 HE21 GLN B 20 14.309 7.000 5.641 1.00 0.00 H new ATOM 0 HE22 GLN B 20 14.972 5.453 5.105 1.00 0.00 H new ATOM 681 N ASP B 21 9.808 9.347 0.839 1.00 0.00 N ATOM 682 CA ASP B 21 9.014 9.390 -0.384 1.00 0.00 C ATOM 683 C ASP B 21 9.641 8.594 -1.510 1.00 0.00 C ATOM 684 O ASP B 21 10.760 8.859 -1.948 1.00 0.00 O ATOM 685 CB ASP B 21 8.704 10.829 -0.855 1.00 0.00 C ATOM 686 CG ASP B 21 9.745 11.875 -0.493 1.00 0.00 C ATOM 687 OD1 ASP B 21 10.196 11.908 0.674 1.00 0.00 O ATOM 688 OD2 ASP B 21 10.052 12.716 -1.361 1.00 0.00 O ATOM 0 H ASP B 21 10.468 10.117 0.947 1.00 0.00 H new ATOM 0 HA ASP B 21 8.066 8.920 -0.122 1.00 0.00 H new ATOM 0 HB2 ASP B 21 8.585 10.820 -1.938 1.00 0.00 H new ATOM 0 HB3 ASP B 21 7.747 11.133 -0.432 1.00 0.00 H new ATOM 693 N GLY B 22 8.899 7.594 -1.946 1.00 0.00 N ATOM 694 CA GLY B 22 9.320 6.752 -3.033 1.00 0.00 C ATOM 695 C GLY B 22 8.161 6.441 -3.953 1.00 0.00 C ATOM 696 O GLY B 22 7.509 7.353 -4.474 1.00 0.00 O ATOM 0 H GLY B 22 7.990 7.348 -1.553 1.00 0.00 H new ATOM 0 HA2 GLY B 22 10.113 7.245 -3.595 1.00 0.00 H new ATOM 0 HA3 GLY B 22 9.737 5.825 -2.640 1.00 0.00 H new ATOM 700 N ALA B 23 7.861 5.165 -4.118 1.00 0.00 N ATOM 701 CA ALA B 23 6.782 4.753 -4.990 1.00 0.00 C ATOM 702 C ALA B 23 6.172 3.450 -4.506 1.00 0.00 C ATOM 703 O ALA B 23 6.885 2.543 -4.076 1.00 0.00 O ATOM 704 CB ALA B 23 7.291 4.611 -6.409 1.00 0.00 C ATOM 0 H ALA B 23 8.351 4.398 -3.658 1.00 0.00 H new ATOM 0 HA ALA B 23 6.004 5.517 -4.972 1.00 0.00 H new ATOM 0 HB1 ALA B 23 6.473 4.301 -7.060 1.00 0.00 H new ATOM 0 HB2 ALA B 23 7.684 5.568 -6.752 1.00 0.00 H new ATOM 0 HB3 ALA B 23 8.082 3.862 -6.438 1.00 0.00 H new ATOM 710 N LEU B 24 4.856 3.361 -4.595 1.00 0.00 N ATOM 711 CA LEU B 24 4.136 2.180 -4.152 1.00 0.00 C ATOM 712 C LEU B 24 3.766 1.346 -5.373 1.00 0.00 C ATOM 713 O LEU B 24 3.083 1.824 -6.278 1.00 0.00 O ATOM 714 CB LEU B 24 2.872 2.603 -3.388 1.00 0.00 C ATOM 715 CG LEU B 24 2.401 1.672 -2.261 1.00 0.00 C ATOM 716 CD1 LEU B 24 1.000 2.055 -1.814 1.00 0.00 C ATOM 717 CD2 LEU B 24 2.441 0.216 -2.682 1.00 0.00 C ATOM 0 H LEU B 24 4.261 4.098 -4.973 1.00 0.00 H new ATOM 0 HA LEU B 24 4.761 1.586 -3.484 1.00 0.00 H new ATOM 0 HB2 LEU B 24 3.047 3.591 -2.962 1.00 0.00 H new ATOM 0 HB3 LEU B 24 2.059 2.705 -4.107 1.00 0.00 H new ATOM 0 HG LEU B 24 3.088 1.791 -1.424 1.00 0.00 H new ATOM 0 HD11 LEU B 24 0.678 1.387 -1.015 1.00 0.00 H new ATOM 0 HD12 LEU B 24 1.002 3.082 -1.450 1.00 0.00 H new ATOM 0 HD13 LEU B 24 0.313 1.970 -2.656 1.00 0.00 H new ATOM 0 HD21 LEU B 24 2.101 -0.411 -1.858 1.00 0.00 H new ATOM 0 HD22 LEU B 24 1.789 0.068 -3.543 1.00 0.00 H new ATOM 0 HD23 LEU B 24 3.462 -0.058 -2.948 1.00 0.00 H new ATOM 729 N TYR B 25 4.223 0.111 -5.398 1.00 0.00 N ATOM 730 CA TYR B 25 3.953 -0.776 -6.518 1.00 0.00 C ATOM 731 C TYR B 25 2.967 -1.874 -6.143 1.00 0.00 C ATOM 732 O TYR B 25 3.191 -2.633 -5.199 1.00 0.00 O ATOM 733 CB TYR B 25 5.250 -1.409 -7.029 1.00 0.00 C ATOM 734 CG TYR B 25 6.201 -0.426 -7.674 1.00 0.00 C ATOM 735 CD1 TYR B 25 7.038 0.368 -6.903 1.00 0.00 C ATOM 736 CD2 TYR B 25 6.259 -0.294 -9.054 1.00 0.00 C ATOM 737 CE1 TYR B 25 7.906 1.265 -7.488 1.00 0.00 C ATOM 738 CE2 TYR B 25 7.126 0.604 -9.648 1.00 0.00 C ATOM 739 CZ TYR B 25 7.946 1.381 -8.860 1.00 0.00 C ATOM 740 OH TYR B 25 8.806 2.281 -9.449 1.00 0.00 O ATOM 0 H TYR B 25 4.785 -0.305 -4.655 1.00 0.00 H new ATOM 0 HA TYR B 25 3.508 -0.170 -7.307 1.00 0.00 H new ATOM 0 HB2 TYR B 25 5.757 -1.897 -6.196 1.00 0.00 H new ATOM 0 HB3 TYR B 25 5.003 -2.187 -7.751 1.00 0.00 H new ATOM 0 HD1 TYR B 25 7.009 0.282 -5.827 1.00 0.00 H new ATOM 0 HD2 TYR B 25 5.617 -0.902 -9.674 1.00 0.00 H new ATOM 0 HE1 TYR B 25 8.552 1.874 -6.873 1.00 0.00 H new ATOM 0 HE2 TYR B 25 7.160 0.696 -10.724 1.00 0.00 H new ATOM 0 HH TYR B 25 8.710 2.236 -10.423 1.00 0.00 H new ATOM 750 N LEU B 26 1.870 -1.948 -6.880 1.00 0.00 N ATOM 751 CA LEU B 26 0.866 -2.973 -6.648 1.00 0.00 C ATOM 752 C LEU B 26 1.119 -4.129 -7.589 1.00 0.00 C ATOM 753 O LEU B 26 1.291 -3.918 -8.788 1.00 0.00 O ATOM 754 CB LEU B 26 -0.550 -2.445 -6.886 1.00 0.00 C ATOM 755 CG LEU B 26 -0.995 -1.309 -5.973 1.00 0.00 C ATOM 756 CD1 LEU B 26 -2.502 -1.157 -6.015 1.00 0.00 C ATOM 757 CD2 LEU B 26 -0.537 -1.549 -4.557 1.00 0.00 C ATOM 0 H LEU B 26 1.653 -1.309 -7.645 1.00 0.00 H new ATOM 0 HA LEU B 26 0.941 -3.290 -5.608 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -0.622 -2.105 -7.919 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -1.250 -3.273 -6.773 1.00 0.00 H new ATOM 0 HG LEU B 26 -0.538 -0.387 -6.331 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -2.804 -0.342 -5.358 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.817 -0.937 -7.035 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.971 -2.083 -5.683 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -0.866 -0.725 -3.924 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -0.964 -2.482 -4.190 1.00 0.00 H new ATOM 0 HD23 LEU B 26 0.551 -1.613 -4.532 1.00 0.00 H new ATOM 769 N MET B 27 1.157 -5.338 -7.061 1.00 0.00 N ATOM 770 CA MET B 27 1.388 -6.507 -7.890 1.00 0.00 C ATOM 771 C MET B 27 0.252 -7.501 -7.724 1.00 0.00 C ATOM 772 O MET B 27 -0.434 -7.508 -6.707 1.00 0.00 O ATOM 773 CB MET B 27 2.724 -7.174 -7.559 1.00 0.00 C ATOM 774 CG MET B 27 3.918 -6.234 -7.616 1.00 0.00 C ATOM 775 SD MET B 27 5.422 -6.985 -6.963 1.00 0.00 S ATOM 776 CE MET B 27 6.646 -5.788 -7.486 1.00 0.00 C ATOM 0 H MET B 27 1.032 -5.536 -6.068 1.00 0.00 H new ATOM 0 HA MET B 27 1.427 -6.177 -8.928 1.00 0.00 H new ATOM 0 HB2 MET B 27 2.664 -7.608 -6.561 1.00 0.00 H new ATOM 0 HB3 MET B 27 2.889 -7.997 -8.255 1.00 0.00 H new ATOM 0 HG2 MET B 27 4.087 -5.929 -8.649 1.00 0.00 H new ATOM 0 HG3 MET B 27 3.692 -5.330 -7.050 1.00 0.00 H new ATOM 0 HE1 MET B 27 7.620 -6.063 -7.082 1.00 0.00 H new ATOM 0 HE2 MET B 27 6.697 -5.771 -8.575 1.00 0.00 H new ATOM 0 HE3 MET B 27 6.368 -4.800 -7.120 1.00 0.00 H new ATOM 786 N ALA B 28 0.088 -8.343 -8.726 1.00 0.00 N ATOM 787 CA ALA B 28 -0.976 -9.347 -8.760 1.00 0.00 C ATOM 788 C ALA B 28 -1.086 -10.170 -7.481 1.00 0.00 C ATOM 789 O ALA B 28 -2.162 -10.270 -6.891 1.00 0.00 O ATOM 790 CB ALA B 28 -0.756 -10.277 -9.937 1.00 0.00 C ATOM 0 H ALA B 28 0.690 -8.356 -9.549 1.00 0.00 H new ATOM 0 HA ALA B 28 -1.913 -8.800 -8.860 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -1.548 -11.025 -9.963 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -0.770 -9.702 -10.863 1.00 0.00 H new ATOM 0 HB3 ALA B 28 0.209 -10.774 -9.833 1.00 0.00 H new ATOM 796 N GLU B 29 0.023 -10.743 -7.041 1.00 0.00 N ATOM 797 CA GLU B 29 0.000 -11.595 -5.862 1.00 0.00 C ATOM 798 C GLU B 29 0.585 -10.921 -4.624 1.00 0.00 C ATOM 799 O GLU B 29 0.590 -11.517 -3.542 1.00 0.00 O ATOM 800 CB GLU B 29 0.760 -12.896 -6.146 1.00 0.00 C ATOM 801 CG GLU B 29 0.417 -13.539 -7.487 1.00 0.00 C ATOM 802 CD GLU B 29 -0.977 -14.133 -7.522 1.00 0.00 C ATOM 803 OE1 GLU B 29 -1.145 -15.297 -7.096 1.00 0.00 O ATOM 804 OE2 GLU B 29 -1.914 -13.447 -7.978 1.00 0.00 O ATOM 0 H GLU B 29 0.940 -10.636 -7.476 1.00 0.00 H new ATOM 0 HA GLU B 29 -1.048 -11.804 -5.646 1.00 0.00 H new ATOM 0 HB2 GLU B 29 1.830 -12.693 -6.116 1.00 0.00 H new ATOM 0 HB3 GLU B 29 0.549 -13.609 -5.349 1.00 0.00 H new ATOM 0 HG2 GLU B 29 0.507 -12.792 -8.275 1.00 0.00 H new ATOM 0 HG3 GLU B 29 1.144 -14.321 -7.705 1.00 0.00 H new ATOM 811 N ARG B 30 1.039 -9.678 -4.740 1.00 0.00 N ATOM 812 CA ARG B 30 1.641 -9.021 -3.581 1.00 0.00 C ATOM 813 C ARG B 30 1.778 -7.518 -3.760 1.00 0.00 C ATOM 814 O ARG B 30 1.554 -6.982 -4.834 1.00 0.00 O ATOM 815 CB ARG B 30 3.020 -9.628 -3.295 1.00 0.00 C ATOM 816 CG ARG B 30 4.078 -9.297 -4.337 1.00 0.00 C ATOM 817 CD ARG B 30 5.168 -10.354 -4.366 1.00 0.00 C ATOM 818 NE ARG B 30 6.473 -9.796 -4.717 1.00 0.00 N ATOM 819 CZ ARG B 30 7.244 -10.265 -5.700 1.00 0.00 C ATOM 820 NH1 ARG B 30 6.809 -11.246 -6.484 1.00 0.00 N ATOM 821 NH2 ARG B 30 8.444 -9.734 -5.911 1.00 0.00 N ATOM 0 H ARG B 30 1.006 -9.119 -5.593 1.00 0.00 H new ATOM 0 HA ARG B 30 0.969 -9.188 -2.739 1.00 0.00 H new ATOM 0 HB2 ARG B 30 3.363 -9.278 -2.322 1.00 0.00 H new ATOM 0 HB3 ARG B 30 2.920 -10.711 -3.227 1.00 0.00 H new ATOM 0 HG2 ARG B 30 3.613 -9.223 -5.320 1.00 0.00 H new ATOM 0 HG3 ARG B 30 4.517 -8.324 -4.117 1.00 0.00 H new ATOM 0 HD2 ARG B 30 5.231 -10.834 -3.390 1.00 0.00 H new ATOM 0 HD3 ARG B 30 4.901 -11.128 -5.085 1.00 0.00 H new ATOM 0 HE ARG B 30 6.815 -9.000 -4.178 1.00 0.00 H new ATOM 0 HH11 ARG B 30 5.882 -11.644 -6.336 1.00 0.00 H new ATOM 0 HH12 ARG B 30 7.402 -11.601 -7.234 1.00 0.00 H new ATOM 0 HH21 ARG B 30 8.774 -8.969 -5.322 1.00 0.00 H new ATOM 0 HH22 ARG B 30 9.035 -10.091 -6.662 1.00 0.00 H new ATOM 835 N ILE B 31 2.139 -6.850 -2.680 1.00 0.00 N ATOM 836 CA ILE B 31 2.343 -5.414 -2.695 1.00 0.00 C ATOM 837 C ILE B 31 3.819 -5.128 -2.435 1.00 0.00 C ATOM 838 O ILE B 31 4.482 -5.883 -1.717 1.00 0.00 O ATOM 839 CB ILE B 31 1.457 -4.703 -1.639 1.00 0.00 C ATOM 840 CG1 ILE B 31 1.456 -3.190 -1.870 1.00 0.00 C ATOM 841 CG2 ILE B 31 1.923 -5.029 -0.224 1.00 0.00 C ATOM 842 CD1 ILE B 31 0.507 -2.436 -0.964 1.00 0.00 C ATOM 0 H ILE B 31 2.298 -7.286 -1.772 1.00 0.00 H new ATOM 0 HA ILE B 31 2.054 -5.024 -3.671 1.00 0.00 H new ATOM 0 HB ILE B 31 0.437 -5.071 -1.751 1.00 0.00 H new ATOM 0 HG12 ILE B 31 2.466 -2.808 -1.721 1.00 0.00 H new ATOM 0 HG13 ILE B 31 1.189 -2.990 -2.908 1.00 0.00 H new ATOM 0 HG21 ILE B 31 1.284 -4.518 0.496 1.00 0.00 H new ATOM 0 HG22 ILE B 31 1.865 -6.105 -0.061 1.00 0.00 H new ATOM 0 HG23 ILE B 31 2.953 -4.698 -0.095 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.562 -1.370 -1.186 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -0.511 -2.789 -1.128 1.00 0.00 H new ATOM 0 HD13 ILE B 31 0.786 -2.605 0.076 1.00 0.00 H new ATOM 854 N ALA B 32 4.347 -4.074 -3.034 1.00 0.00 N ATOM 855 CA ALA B 32 5.748 -3.735 -2.852 1.00 0.00 C ATOM 856 C ALA B 32 5.961 -2.230 -2.824 1.00 0.00 C ATOM 857 O ALA B 32 5.138 -1.466 -3.321 1.00 0.00 O ATOM 858 CB ALA B 32 6.584 -4.365 -3.953 1.00 0.00 C ATOM 0 H ALA B 32 3.831 -3.442 -3.646 1.00 0.00 H new ATOM 0 HA ALA B 32 6.066 -4.132 -1.888 1.00 0.00 H new ATOM 0 HB1 ALA B 32 7.633 -4.105 -3.808 1.00 0.00 H new ATOM 0 HB2 ALA B 32 6.471 -5.449 -3.921 1.00 0.00 H new ATOM 0 HB3 ALA B 32 6.249 -3.994 -4.922 1.00 0.00 H new ATOM 864 N TRP B 33 7.072 -1.810 -2.239 1.00 0.00 N ATOM 865 CA TRP B 33 7.397 -0.399 -2.152 1.00 0.00 C ATOM 866 C TRP B 33 8.902 -0.193 -2.309 1.00 0.00 C ATOM 867 O TRP B 33 9.702 -1.037 -1.890 1.00 0.00 O ATOM 868 CB TRP B 33 6.908 0.191 -0.824 1.00 0.00 C ATOM 869 CG TRP B 33 7.056 1.676 -0.773 1.00 0.00 C ATOM 870 CD1 TRP B 33 6.151 2.606 -1.187 1.00 0.00 C ATOM 871 CD2 TRP B 33 8.192 2.401 -0.303 1.00 0.00 C ATOM 872 NE1 TRP B 33 6.667 3.866 -1.024 1.00 0.00 N ATOM 873 CE2 TRP B 33 7.916 3.765 -0.481 1.00 0.00 C ATOM 874 CE3 TRP B 33 9.417 2.029 0.247 1.00 0.00 C ATOM 875 CZ2 TRP B 33 8.820 4.755 -0.137 1.00 0.00 C ATOM 876 CZ3 TRP B 33 10.314 3.014 0.594 1.00 0.00 C ATOM 877 CH2 TRP B 33 10.014 4.366 0.397 1.00 0.00 C ATOM 0 H TRP B 33 7.764 -2.430 -1.817 1.00 0.00 H new ATOM 0 HA TRP B 33 6.887 0.123 -2.962 1.00 0.00 H new ATOM 0 HB2 TRP B 33 5.861 -0.072 -0.676 1.00 0.00 H new ATOM 0 HB3 TRP B 33 7.468 -0.256 -0.003 1.00 0.00 H new ATOM 0 HD1 TRP B 33 5.172 2.384 -1.585 1.00 0.00 H new ATOM 0 HE1 TRP B 33 6.195 4.737 -1.268 1.00 0.00 H new ATOM 0 HE3 TRP B 33 9.658 0.987 0.398 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 8.588 5.799 -0.286 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 11.265 2.738 1.025 1.00 0.00 H new ATOM 0 HH2 TRP B 33 10.741 5.116 0.673 1.00 0.00 H new ATOM 888 N ALA B 34 9.276 0.924 -2.922 1.00 0.00 N ATOM 889 CA ALA B 34 10.673 1.251 -3.149 1.00 0.00 C ATOM 890 C ALA B 34 10.897 2.758 -3.056 1.00 0.00 C ATOM 891 O ALA B 34 10.123 3.538 -3.612 1.00 0.00 O ATOM 892 CB ALA B 34 11.129 0.729 -4.506 1.00 0.00 C ATOM 0 H ALA B 34 8.621 1.623 -3.273 1.00 0.00 H new ATOM 0 HA ALA B 34 11.267 0.768 -2.373 1.00 0.00 H new ATOM 0 HB1 ALA B 34 12.178 0.983 -4.660 1.00 0.00 H new ATOM 0 HB2 ALA B 34 11.009 -0.354 -4.538 1.00 0.00 H new ATOM 0 HB3 ALA B 34 10.527 1.184 -5.292 1.00 0.00 H new ATOM 898 N PRO B 35 11.942 3.187 -2.328 1.00 0.00 N ATOM 899 CA PRO B 35 12.280 4.607 -2.187 1.00 0.00 C ATOM 900 C PRO B 35 12.744 5.182 -3.521 1.00 0.00 C ATOM 901 O PRO B 35 13.073 4.411 -4.429 1.00 0.00 O ATOM 902 CB PRO B 35 13.413 4.617 -1.159 1.00 0.00 C ATOM 903 CG PRO B 35 13.999 3.248 -1.215 1.00 0.00 C ATOM 904 CD PRO B 35 12.877 2.320 -1.593 1.00 0.00 C ATOM 0 HA PRO B 35 11.432 5.216 -1.875 1.00 0.00 H new ATOM 0 HB2 PRO B 35 14.158 5.375 -1.401 1.00 0.00 H new ATOM 0 HB3 PRO B 35 13.038 4.845 -0.161 1.00 0.00 H new ATOM 0 HG2 PRO B 35 14.805 3.201 -1.947 1.00 0.00 H new ATOM 0 HG3 PRO B 35 14.426 2.969 -0.252 1.00 0.00 H new ATOM 0 HD2 PRO B 35 13.230 1.496 -2.212 1.00 0.00 H new ATOM 0 HD3 PRO B 35 12.408 1.879 -0.713 1.00 0.00 H new ATOM 992 N PHE B 41 13.768 -2.557 -4.626 1.00 0.00 N ATOM 993 CA PHE B 41 12.594 -2.579 -3.760 1.00 0.00 C ATOM 994 C PHE B 41 13.014 -2.858 -2.323 1.00 0.00 C ATOM 995 O PHE B 41 13.952 -3.616 -2.084 1.00 0.00 O ATOM 996 CB PHE B 41 11.595 -3.643 -4.227 1.00 0.00 C ATOM 997 CG PHE B 41 11.013 -3.374 -5.586 1.00 0.00 C ATOM 998 CD1 PHE B 41 9.876 -2.595 -5.722 1.00 0.00 C ATOM 999 CD2 PHE B 41 11.599 -3.902 -6.726 1.00 0.00 C ATOM 1000 CE1 PHE B 41 9.335 -2.347 -6.968 1.00 0.00 C ATOM 1001 CE2 PHE B 41 11.061 -3.656 -7.976 1.00 0.00 C ATOM 1002 CZ PHE B 41 9.928 -2.877 -8.096 1.00 0.00 C ATOM 0 HA PHE B 41 12.110 -1.604 -3.811 1.00 0.00 H new ATOM 0 HB2 PHE B 41 12.092 -4.613 -4.240 1.00 0.00 H new ATOM 0 HB3 PHE B 41 10.784 -3.710 -3.502 1.00 0.00 H new ATOM 0 HD1 PHE B 41 9.407 -2.177 -4.844 1.00 0.00 H new ATOM 0 HD2 PHE B 41 12.486 -4.512 -6.637 1.00 0.00 H new ATOM 0 HE1 PHE B 41 8.448 -1.738 -7.060 1.00 0.00 H new ATOM 0 HE2 PHE B 41 11.527 -4.073 -8.857 1.00 0.00 H new ATOM 0 HZ PHE B 41 9.506 -2.682 -9.071 1.00 0.00 H new ATOM 1012 N THR B 42 12.329 -2.243 -1.373 1.00 0.00 N ATOM 1013 CA THR B 42 12.657 -2.426 0.032 1.00 0.00 C ATOM 1014 C THR B 42 11.551 -3.151 0.783 1.00 0.00 C ATOM 1015 O THR B 42 11.784 -3.746 1.834 1.00 0.00 O ATOM 1016 CB THR B 42 12.908 -1.067 0.705 1.00 0.00 C ATOM 1017 OG1 THR B 42 11.954 -0.106 0.232 1.00 0.00 O ATOM 1018 CG2 THR B 42 14.313 -0.573 0.416 1.00 0.00 C ATOM 0 H THR B 42 11.545 -1.615 -1.548 1.00 0.00 H new ATOM 0 HA THR B 42 13.560 -3.036 0.071 1.00 0.00 H new ATOM 0 HB THR B 42 12.798 -1.192 1.782 1.00 0.00 H new ATOM 0 HG1 THR B 42 11.779 0.554 0.935 1.00 0.00 H new ATOM 0 HG21 THR B 42 14.467 0.390 0.902 1.00 0.00 H new ATOM 0 HG22 THR B 42 15.037 -1.293 0.798 1.00 0.00 H new ATOM 0 HG23 THR B 42 14.445 -0.461 -0.660 1.00 0.00 H new ATOM 1026 N ILE B 43 10.345 -3.101 0.243 1.00 0.00 N ATOM 1027 CA ILE B 43 9.205 -3.730 0.882 1.00 0.00 C ATOM 1028 C ILE B 43 8.439 -4.611 -0.100 1.00 0.00 C ATOM 1029 O ILE B 43 8.177 -4.209 -1.229 1.00 0.00 O ATOM 1030 CB ILE B 43 8.271 -2.652 1.482 1.00 0.00 C ATOM 1031 CG1 ILE B 43 8.804 -2.192 2.840 1.00 0.00 C ATOM 1032 CG2 ILE B 43 6.836 -3.154 1.610 1.00 0.00 C ATOM 1033 CD1 ILE B 43 8.108 -0.964 3.383 1.00 0.00 C ATOM 0 H ILE B 43 10.132 -2.631 -0.637 1.00 0.00 H new ATOM 0 HA ILE B 43 9.574 -4.368 1.685 1.00 0.00 H new ATOM 0 HB ILE B 43 8.258 -1.803 0.798 1.00 0.00 H new ATOM 0 HG12 ILE B 43 8.697 -3.006 3.557 1.00 0.00 H new ATOM 0 HG13 ILE B 43 9.870 -1.984 2.750 1.00 0.00 H new ATOM 0 HG21 ILE B 43 6.212 -2.368 2.035 1.00 0.00 H new ATOM 0 HG22 ILE B 43 6.456 -3.426 0.625 1.00 0.00 H new ATOM 0 HG23 ILE B 43 6.813 -4.028 2.261 1.00 0.00 H new ATOM 0 HD11 ILE B 43 8.540 -0.698 4.348 1.00 0.00 H new ATOM 0 HD12 ILE B 43 8.237 -0.135 2.687 1.00 0.00 H new ATOM 0 HD13 ILE B 43 7.045 -1.173 3.506 1.00 0.00 H new ATOM 1045 N SER B 44 8.129 -5.824 0.337 1.00 0.00 N ATOM 1046 CA SER B 44 7.375 -6.782 -0.458 1.00 0.00 C ATOM 1047 C SER B 44 6.534 -7.634 0.490 1.00 0.00 C ATOM 1048 O SER B 44 7.082 -8.288 1.377 1.00 0.00 O ATOM 1049 CB SER B 44 8.323 -7.657 -1.290 1.00 0.00 C ATOM 1050 OG SER B 44 7.607 -8.558 -2.124 1.00 0.00 O ATOM 0 H SER B 44 8.395 -6.172 1.258 1.00 0.00 H new ATOM 0 HA SER B 44 6.722 -6.258 -1.156 1.00 0.00 H new ATOM 0 HB2 SER B 44 8.961 -7.021 -1.904 1.00 0.00 H new ATOM 0 HB3 SER B 44 8.978 -8.219 -0.625 1.00 0.00 H new ATOM 0 HG SER B 44 8.240 -9.099 -2.641 1.00 0.00 H new ATOM 1056 N HIS B 45 5.218 -7.632 0.310 1.00 0.00 N ATOM 1057 CA HIS B 45 4.334 -8.377 1.182 1.00 0.00 C ATOM 1058 C HIS B 45 3.260 -9.039 0.357 1.00 0.00 C ATOM 1059 O HIS B 45 2.539 -8.373 -0.388 1.00 0.00 O ATOM 1060 CB HIS B 45 3.684 -7.458 2.232 1.00 0.00 C ATOM 1061 CG HIS B 45 4.659 -6.753 3.130 1.00 0.00 C ATOM 1062 ND1 HIS B 45 5.596 -7.400 3.905 1.00 0.00 N ATOM 1063 CD2 HIS B 45 4.835 -5.425 3.362 1.00 0.00 C ATOM 1064 CE1 HIS B 45 6.296 -6.471 4.569 1.00 0.00 C ATOM 1065 NE2 HIS B 45 5.874 -5.257 4.273 1.00 0.00 N ATOM 0 H HIS B 45 4.745 -7.120 -0.435 1.00 0.00 H new ATOM 0 HA HIS B 45 4.922 -9.131 1.706 1.00 0.00 H new ATOM 0 HB2 HIS B 45 3.078 -6.712 1.718 1.00 0.00 H new ATOM 0 HB3 HIS B 45 3.007 -8.051 2.846 1.00 0.00 H new ATOM 0 HD2 HIS B 45 4.261 -4.629 2.912 1.00 0.00 H new ATOM 0 HE1 HIS B 45 7.100 -6.688 5.256 1.00 0.00 H new ATOM 0 HE2 HIS B 45 6.235 -4.375 4.637 1.00 0.00 H new ATOM 1073 N MET B 46 3.166 -10.344 0.471 1.00 0.00 N ATOM 1074 CA MET B 46 2.172 -11.087 -0.258 1.00 0.00 C ATOM 1075 C MET B 46 0.822 -10.841 0.385 1.00 0.00 C ATOM 1076 O MET B 46 0.734 -10.676 1.599 1.00 0.00 O ATOM 1077 CB MET B 46 2.508 -12.575 -0.238 1.00 0.00 C ATOM 1078 CG MET B 46 3.640 -12.974 -1.174 1.00 0.00 C ATOM 1079 SD MET B 46 3.074 -13.371 -2.843 1.00 0.00 S ATOM 1080 CE MET B 46 2.030 -14.792 -2.519 1.00 0.00 C ATOM 0 H MET B 46 3.770 -10.912 1.065 1.00 0.00 H new ATOM 0 HA MET B 46 2.150 -10.760 -1.298 1.00 0.00 H new ATOM 0 HB2 MET B 46 2.775 -12.862 0.779 1.00 0.00 H new ATOM 0 HB3 MET B 46 1.615 -13.141 -0.505 1.00 0.00 H new ATOM 0 HG2 MET B 46 4.364 -12.161 -1.226 1.00 0.00 H new ATOM 0 HG3 MET B 46 4.160 -13.837 -0.758 1.00 0.00 H new ATOM 0 HE1 MET B 46 2.010 -15.437 -3.398 1.00 0.00 H new ATOM 0 HE2 MET B 46 2.426 -15.348 -1.670 1.00 0.00 H new ATOM 0 HE3 MET B 46 1.018 -14.456 -2.293 1.00 0.00 H new ATOM 1090 N TYR B 47 -0.217 -10.776 -0.423 1.00 0.00 N ATOM 1091 CA TYR B 47 -1.571 -10.555 0.098 1.00 0.00 C ATOM 1092 C TYR B 47 -1.973 -11.631 1.110 1.00 0.00 C ATOM 1093 O TYR B 47 -2.915 -11.448 1.874 1.00 0.00 O ATOM 1094 CB TYR B 47 -2.584 -10.485 -1.042 1.00 0.00 C ATOM 1095 CG TYR B 47 -2.318 -9.351 -1.999 1.00 0.00 C ATOM 1096 CD1 TYR B 47 -2.059 -8.071 -1.529 1.00 0.00 C ATOM 1097 CD2 TYR B 47 -2.309 -9.559 -3.368 1.00 0.00 C ATOM 1098 CE1 TYR B 47 -1.803 -7.032 -2.397 1.00 0.00 C ATOM 1099 CE2 TYR B 47 -2.052 -8.524 -4.243 1.00 0.00 C ATOM 1100 CZ TYR B 47 -1.799 -7.263 -3.751 1.00 0.00 C ATOM 1101 OH TYR B 47 -1.542 -6.227 -4.620 1.00 0.00 O ATOM 0 H TYR B 47 -0.162 -10.871 -1.437 1.00 0.00 H new ATOM 0 HA TYR B 47 -1.567 -9.598 0.620 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -2.570 -11.427 -1.591 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -3.585 -10.374 -0.625 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -2.058 -7.886 -0.465 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -2.506 -10.547 -3.757 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -1.607 -6.041 -2.015 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -2.049 -8.702 -5.308 1.00 0.00 H new ATOM 0 HH TYR B 47 -1.324 -6.588 -5.505 1.00 0.00 H new ATOM 1111 N ALA B 48 -1.259 -12.751 1.099 1.00 0.00 N ATOM 1112 CA ALA B 48 -1.514 -13.837 2.034 1.00 0.00 C ATOM 1113 C ALA B 48 -0.910 -13.521 3.401 1.00 0.00 C ATOM 1114 O ALA B 48 -1.338 -14.062 4.418 1.00 0.00 O ATOM 1115 CB ALA B 48 -0.947 -15.143 1.498 1.00 0.00 C ATOM 0 H ALA B 48 -0.495 -12.930 0.448 1.00 0.00 H new ATOM 0 HA ALA B 48 -2.593 -13.945 2.148 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -1.146 -15.945 2.209 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -1.417 -15.379 0.543 1.00 0.00 H new ATOM 0 HB3 ALA B 48 0.129 -15.042 1.357 1.00 0.00 H new ATOM 1121 N ASP B 49 0.092 -12.643 3.413 1.00 0.00 N ATOM 1122 CA ASP B 49 0.749 -12.249 4.656 1.00 0.00 C ATOM 1123 C ASP B 49 0.065 -11.017 5.219 1.00 0.00 C ATOM 1124 O ASP B 49 0.342 -10.594 6.344 1.00 0.00 O ATOM 1125 CB ASP B 49 2.243 -11.932 4.455 1.00 0.00 C ATOM 1126 CG ASP B 49 2.908 -12.705 3.329 1.00 0.00 C ATOM 1127 OD1 ASP B 49 2.673 -13.924 3.210 1.00 0.00 O ATOM 1128 OD2 ASP B 49 3.676 -12.079 2.561 1.00 0.00 O ATOM 0 H ASP B 49 0.465 -12.192 2.577 1.00 0.00 H new ATOM 0 HA ASP B 49 0.671 -13.091 5.344 1.00 0.00 H new ATOM 0 HB2 ASP B 49 2.351 -10.865 4.259 1.00 0.00 H new ATOM 0 HB3 ASP B 49 2.773 -12.141 5.384 1.00 0.00 H new ATOM 1133 N ILE B 50 -0.814 -10.432 4.423 1.00 0.00 N ATOM 1134 CA ILE B 50 -1.560 -9.256 4.829 1.00 0.00 C ATOM 1135 C ILE B 50 -2.894 -9.687 5.415 1.00 0.00 C ATOM 1136 O ILE B 50 -3.763 -10.198 4.711 1.00 0.00 O ATOM 1137 CB ILE B 50 -1.788 -8.296 3.648 1.00 0.00 C ATOM 1138 CG1 ILE B 50 -0.446 -7.807 3.099 1.00 0.00 C ATOM 1139 CG2 ILE B 50 -2.655 -7.117 4.075 1.00 0.00 C ATOM 1140 CD1 ILE B 50 -0.547 -7.127 1.751 1.00 0.00 C ATOM 0 H ILE B 50 -1.029 -10.758 3.481 1.00 0.00 H new ATOM 0 HA ILE B 50 -0.979 -8.722 5.580 1.00 0.00 H new ATOM 0 HB ILE B 50 -2.312 -8.834 2.858 1.00 0.00 H new ATOM 0 HG12 ILE B 50 -0.004 -7.113 3.813 1.00 0.00 H new ATOM 0 HG13 ILE B 50 0.233 -8.656 3.017 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -2.805 -6.449 3.226 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -3.621 -7.483 4.424 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -2.160 -6.574 4.880 1.00 0.00 H new ATOM 0 HD11 ILE B 50 0.444 -6.809 1.429 1.00 0.00 H new ATOM 0 HD12 ILE B 50 -0.959 -7.824 1.022 1.00 0.00 H new ATOM 0 HD13 ILE B 50 -1.199 -6.257 1.830 1.00 0.00 H new ATOM 1152 N LYS B 51 -3.048 -9.477 6.708 1.00 0.00 N ATOM 1153 CA LYS B 51 -4.251 -9.877 7.412 1.00 0.00 C ATOM 1154 C LYS B 51 -5.368 -8.845 7.285 1.00 0.00 C ATOM 1155 O LYS B 51 -6.510 -9.196 7.013 1.00 0.00 O ATOM 1156 CB LYS B 51 -3.914 -10.115 8.885 1.00 0.00 C ATOM 1157 CG LYS B 51 -5.086 -10.594 9.716 1.00 0.00 C ATOM 1158 CD LYS B 51 -5.149 -9.871 11.051 1.00 0.00 C ATOM 1159 CE LYS B 51 -6.318 -10.368 11.887 1.00 0.00 C ATOM 1160 NZ LYS B 51 -7.601 -10.278 11.145 1.00 0.00 N ATOM 0 H LYS B 51 -2.347 -9.027 7.297 1.00 0.00 H new ATOM 0 HA LYS B 51 -4.618 -10.797 6.957 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -3.112 -10.850 8.949 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -3.532 -9.188 9.314 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -6.014 -10.431 9.168 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -5.000 -11.667 9.885 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -4.217 -10.024 11.595 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -5.248 -8.799 10.883 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -6.140 -11.402 12.183 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -6.386 -9.782 12.803 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -8.356 -9.973 11.792 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -7.508 -9.588 10.372 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -7.840 -11.210 10.750 1.00 0.00 H new ATOM 1174 N CYS B 52 -5.046 -7.575 7.465 1.00 0.00 N ATOM 1175 CA CYS B 52 -6.075 -6.534 7.399 1.00 0.00 C ATOM 1176 C CYS B 52 -5.546 -5.248 6.766 1.00 0.00 C ATOM 1177 O CYS B 52 -4.343 -5.104 6.570 1.00 0.00 O ATOM 1178 CB CYS B 52 -6.602 -6.252 8.810 1.00 0.00 C ATOM 1179 SG CYS B 52 -7.493 -7.633 9.561 1.00 0.00 S ATOM 0 H CYS B 52 -4.102 -7.238 7.655 1.00 0.00 H new ATOM 0 HA CYS B 52 -6.885 -6.896 6.765 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -5.763 -5.984 9.452 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -7.263 -5.386 8.772 1.00 0.00 H new ATOM 0 HG CYS B 52 -8.667 -7.741 9.013 1.00 0.00 H new ATOM 1185 N GLN B 53 -6.445 -4.312 6.441 1.00 0.00 N ATOM 1186 CA GLN B 53 -6.038 -3.048 5.843 1.00 0.00 C ATOM 1187 C GLN B 53 -6.844 -1.894 6.407 1.00 0.00 C ATOM 1188 O GLN B 53 -8.058 -1.997 6.586 1.00 0.00 O ATOM 1189 CB GLN B 53 -6.195 -3.074 4.319 1.00 0.00 C ATOM 1190 CG GLN B 53 -7.623 -3.243 3.818 1.00 0.00 C ATOM 1191 CD GLN B 53 -7.693 -3.275 2.303 1.00 0.00 C ATOM 1192 OE1 GLN B 53 -6.805 -3.809 1.643 1.00 0.00 O ATOM 1193 NE2 GLN B 53 -8.733 -2.685 1.735 1.00 0.00 N ATOM 0 H GLN B 53 -7.450 -4.410 6.583 1.00 0.00 H new ATOM 0 HA GLN B 53 -4.985 -2.905 6.087 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -5.791 -2.147 3.912 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -5.588 -3.887 3.921 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -8.042 -4.166 4.220 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -8.238 -2.425 4.192 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -9.452 -2.251 2.314 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -8.815 -2.664 0.719 1.00 0.00 H new ATOM 1202 N LYS B 54 -6.164 -0.803 6.713 1.00 0.00 N ATOM 1203 CA LYS B 54 -6.839 0.373 7.199 1.00 0.00 C ATOM 1204 C LYS B 54 -6.624 1.489 6.199 1.00 0.00 C ATOM 1205 O LYS B 54 -5.702 1.428 5.387 1.00 0.00 O ATOM 1206 CB LYS B 54 -6.313 0.900 8.538 1.00 0.00 C ATOM 1207 CG LYS B 54 -5.714 -0.071 9.539 1.00 0.00 C ATOM 1208 CD LYS B 54 -5.291 0.720 10.773 1.00 0.00 C ATOM 1209 CE LYS B 54 -5.817 0.137 12.071 1.00 0.00 C ATOM 1210 NZ LYS B 54 -5.819 1.120 13.186 1.00 0.00 N ATOM 0 H LYS B 54 -5.151 -0.713 6.632 1.00 0.00 H new ATOM 0 HA LYS B 54 -7.881 0.084 7.334 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -5.555 1.652 8.318 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -7.137 1.413 9.034 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -6.442 -0.836 9.809 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -4.857 -0.585 9.104 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -4.203 0.759 10.815 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -5.643 1.747 10.676 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -6.831 -0.230 11.914 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -5.207 -0.722 12.351 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -5.974 0.623 14.086 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -4.904 1.613 13.216 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -6.581 1.812 13.037 1.00 0.00 H new ATOM 1224 N ILE B 55 -7.442 2.529 6.278 1.00 0.00 N ATOM 1225 CA ILE B 55 -7.271 3.674 5.373 1.00 0.00 C ATOM 1226 C ILE B 55 -7.370 5.017 6.116 1.00 0.00 C ATOM 1227 O ILE B 55 -8.374 5.309 6.765 1.00 0.00 O ATOM 1228 CB ILE B 55 -8.250 3.640 4.176 1.00 0.00 C ATOM 1229 CG1 ILE B 55 -9.705 3.770 4.608 1.00 0.00 C ATOM 1230 CG2 ILE B 55 -8.075 2.355 3.387 1.00 0.00 C ATOM 1231 CD1 ILE B 55 -10.660 3.588 3.453 1.00 0.00 C ATOM 0 H ILE B 55 -8.214 2.611 6.939 1.00 0.00 H new ATOM 0 HA ILE B 55 -6.262 3.585 4.970 1.00 0.00 H new ATOM 0 HB ILE B 55 -8.009 4.500 3.551 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -9.922 3.029 5.377 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -9.863 4.751 5.057 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -8.771 2.346 2.548 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -7.053 2.295 3.012 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -8.275 1.501 4.034 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -11.685 3.689 3.809 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -10.463 4.346 2.695 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -10.523 2.597 3.020 1.00 0.00 H new ATOM 1243 N SER B 56 -6.277 5.797 6.074 1.00 0.00 N ATOM 1244 CA SER B 56 -6.233 7.110 6.719 1.00 0.00 C ATOM 1245 C SER B 56 -6.866 8.174 5.843 1.00 0.00 C ATOM 1246 O SER B 56 -6.380 8.440 4.731 1.00 0.00 O ATOM 1247 CB SER B 56 -4.805 7.534 7.019 1.00 0.00 C ATOM 1248 OG SER B 56 -4.316 6.915 8.189 1.00 0.00 O ATOM 0 H SER B 56 -5.413 5.536 5.598 1.00 0.00 H new ATOM 0 HA SER B 56 -6.792 7.015 7.650 1.00 0.00 H new ATOM 0 HB2 SER B 56 -4.164 7.278 6.176 1.00 0.00 H new ATOM 0 HB3 SER B 56 -4.763 8.617 7.134 1.00 0.00 H new ATOM 0 HG SER B 56 -4.188 5.958 8.023 1.00 0.00 H new ATOM 1254 N PRO B 57 -7.901 8.835 6.389 1.00 0.00 N ATOM 1255 CA PRO B 57 -8.675 9.874 5.701 1.00 0.00 C ATOM 1256 C PRO B 57 -7.896 11.153 5.421 1.00 0.00 C ATOM 1257 O PRO B 57 -6.762 11.334 5.880 1.00 0.00 O ATOM 1258 CB PRO B 57 -9.776 10.215 6.695 1.00 0.00 C ATOM 1259 CG PRO B 57 -9.212 9.853 8.019 1.00 0.00 C ATOM 1260 CD PRO B 57 -8.384 8.631 7.767 1.00 0.00 C ATOM 0 HA PRO B 57 -9.002 9.506 4.729 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -10.036 11.273 6.651 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -10.687 9.654 6.485 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -8.606 10.663 8.425 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -10.002 9.652 8.743 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -7.560 8.549 8.475 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -8.974 7.719 7.857 1.00 0.00 H new ATOM 1268 N GLU B 58 -8.532 12.034 4.670 1.00 0.00 N ATOM 1269 CA GLU B 58 -7.974 13.330 4.347 1.00 0.00 C ATOM 1270 C GLU B 58 -8.163 14.251 5.548 1.00 0.00 C ATOM 1271 O GLU B 58 -9.052 14.028 6.371 1.00 0.00 O ATOM 1272 CB GLU B 58 -8.674 13.926 3.119 1.00 0.00 C ATOM 1273 CG GLU B 58 -8.858 12.945 1.969 1.00 0.00 C ATOM 1274 CD GLU B 58 -10.147 12.145 2.066 1.00 0.00 C ATOM 1275 OE1 GLU B 58 -10.174 11.146 2.820 1.00 0.00 O ATOM 1276 OE2 GLU B 58 -11.122 12.502 1.383 1.00 0.00 O ATOM 0 H GLU B 58 -9.454 11.868 4.266 1.00 0.00 H new ATOM 0 HA GLU B 58 -6.914 13.223 4.116 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -9.651 14.304 3.419 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -8.097 14.780 2.765 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -8.848 13.493 1.027 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -8.012 12.258 1.947 1.00 0.00 H new ATOM 1283 N GLY B 59 -7.335 15.271 5.657 1.00 0.00 N ATOM 1284 CA GLY B 59 -7.450 16.187 6.773 1.00 0.00 C ATOM 1285 C GLY B 59 -6.136 16.353 7.493 1.00 0.00 C ATOM 1286 O GLY B 59 -5.792 17.450 7.928 1.00 0.00 O ATOM 0 H GLY B 59 -6.587 15.484 4.998 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -7.794 17.157 6.414 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -8.203 15.820 7.470 1.00 0.00 H new ATOM 1290 N LYS B 60 -5.400 15.256 7.622 1.00 0.00 N ATOM 1291 CA LYS B 60 -4.100 15.292 8.272 1.00 0.00 C ATOM 1292 C LYS B 60 -3.086 15.897 7.317 1.00 0.00 C ATOM 1293 O LYS B 60 -3.407 16.186 6.164 1.00 0.00 O ATOM 1294 CB LYS B 60 -3.619 13.887 8.666 1.00 0.00 C ATOM 1295 CG LYS B 60 -4.722 12.909 9.040 1.00 0.00 C ATOM 1296 CD LYS B 60 -4.364 12.080 10.275 1.00 0.00 C ATOM 1297 CE LYS B 60 -2.980 11.426 10.188 1.00 0.00 C ATOM 1298 NZ LYS B 60 -1.908 12.337 10.667 1.00 0.00 N ATOM 0 H LYS B 60 -5.681 14.335 7.286 1.00 0.00 H new ATOM 0 HA LYS B 60 -4.196 15.890 9.178 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -3.050 13.469 7.836 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -2.934 13.977 9.509 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -5.644 13.459 9.228 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -4.914 12.242 8.200 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -4.401 12.720 11.156 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -5.117 11.304 10.413 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -2.972 10.512 10.781 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -2.778 11.138 9.156 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -1.320 11.843 11.368 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -1.316 12.629 9.863 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -2.337 13.177 11.105 1.00 0.00 H new ATOM 1312 N ALA B 61 -1.857 16.061 7.781 1.00 0.00 N ATOM 1313 CA ALA B 61 -0.807 16.601 6.935 1.00 0.00 C ATOM 1314 C ALA B 61 -0.224 15.477 6.092 1.00 0.00 C ATOM 1315 O ALA B 61 0.725 15.670 5.333 1.00 0.00 O ATOM 1316 CB ALA B 61 0.274 17.273 7.771 1.00 0.00 C ATOM 0 H ALA B 61 -1.565 15.830 8.730 1.00 0.00 H new ATOM 0 HA ALA B 61 -1.228 17.362 6.278 1.00 0.00 H new ATOM 0 HB1 ALA B 61 1.048 17.669 7.114 1.00 0.00 H new ATOM 0 HB2 ALA B 61 -0.165 18.088 8.347 1.00 0.00 H new ATOM 0 HB3 ALA B 61 0.714 16.544 8.452 1.00 0.00 H new ATOM 1322 N LYS B 62 -0.810 14.293 6.249 1.00 0.00 N ATOM 1323 CA LYS B 62 -0.388 13.118 5.524 1.00 0.00 C ATOM 1324 C LYS B 62 -1.542 12.110 5.397 1.00 0.00 C ATOM 1325 O LYS B 62 -2.215 11.789 6.383 1.00 0.00 O ATOM 1326 CB LYS B 62 0.834 12.483 6.209 1.00 0.00 C ATOM 1327 CG LYS B 62 0.788 12.453 7.736 1.00 0.00 C ATOM 1328 CD LYS B 62 1.931 11.609 8.298 1.00 0.00 C ATOM 1329 CE LYS B 62 1.780 11.337 9.789 1.00 0.00 C ATOM 1330 NZ LYS B 62 2.488 12.351 10.619 1.00 0.00 N ATOM 0 H LYS B 62 -1.591 14.131 6.885 1.00 0.00 H new ATOM 0 HA LYS B 62 -0.099 13.415 4.516 1.00 0.00 H new ATOM 0 HB2 LYS B 62 0.943 11.461 5.846 1.00 0.00 H new ATOM 0 HB3 LYS B 62 1.726 13.028 5.900 1.00 0.00 H new ATOM 0 HG2 LYS B 62 0.854 13.469 8.126 1.00 0.00 H new ATOM 0 HG3 LYS B 62 -0.167 12.046 8.067 1.00 0.00 H new ATOM 0 HD2 LYS B 62 1.975 10.661 7.762 1.00 0.00 H new ATOM 0 HD3 LYS B 62 2.877 12.120 8.120 1.00 0.00 H new ATOM 0 HE2 LYS B 62 0.722 11.330 10.050 1.00 0.00 H new ATOM 0 HE3 LYS B 62 2.171 10.345 10.017 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 2.359 12.127 11.626 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 3.502 12.340 10.390 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 2.098 13.295 10.422 1.00 0.00 H new ATOM 1344 N ILE B 63 -1.785 11.654 4.167 1.00 0.00 N ATOM 1345 CA ILE B 63 -2.836 10.671 3.867 1.00 0.00 C ATOM 1346 C ILE B 63 -2.218 9.276 3.909 1.00 0.00 C ATOM 1347 O ILE B 63 -1.096 9.107 3.435 1.00 0.00 O ATOM 1348 CB ILE B 63 -3.445 10.935 2.466 1.00 0.00 C ATOM 1349 CG1 ILE B 63 -4.147 12.295 2.434 1.00 0.00 C ATOM 1350 CG2 ILE B 63 -4.410 9.831 2.063 1.00 0.00 C ATOM 1351 CD1 ILE B 63 -3.432 13.324 1.582 1.00 0.00 C ATOM 0 H ILE B 63 -1.259 11.955 3.346 1.00 0.00 H new ATOM 0 HA ILE B 63 -3.634 10.753 4.605 1.00 0.00 H new ATOM 0 HB ILE B 63 -2.628 10.944 1.745 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -5.161 12.163 2.056 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -4.233 12.675 3.452 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -4.819 10.047 1.076 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -3.882 8.878 2.036 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -5.222 9.775 2.788 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -3.985 14.263 1.605 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -2.427 13.485 1.972 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -3.369 12.965 0.555 1.00 0.00 H new ATOM 1363 N GLN B 64 -2.916 8.260 4.440 1.00 0.00 N ATOM 1364 CA GLN B 64 -2.274 6.941 4.532 1.00 0.00 C ATOM 1365 C GLN B 64 -3.173 5.751 4.220 1.00 0.00 C ATOM 1366 O GLN B 64 -4.396 5.838 4.192 1.00 0.00 O ATOM 1367 CB GLN B 64 -1.678 6.698 5.923 1.00 0.00 C ATOM 1368 CG GLN B 64 -0.477 7.548 6.271 1.00 0.00 C ATOM 1369 CD GLN B 64 -0.842 8.848 6.945 1.00 0.00 C ATOM 1370 OE1 GLN B 64 -0.091 9.796 6.875 1.00 0.00 O ATOM 1371 NE2 GLN B 64 -1.984 8.899 7.621 1.00 0.00 N ATOM 0 H GLN B 64 -3.871 8.317 4.794 1.00 0.00 H new ATOM 0 HA GLN B 64 -1.505 6.992 3.761 1.00 0.00 H new ATOM 0 HB2 GLN B 64 -2.454 6.873 6.668 1.00 0.00 H new ATOM 0 HB3 GLN B 64 -1.394 5.649 6.000 1.00 0.00 H new ATOM 0 HG2 GLN B 64 0.184 6.980 6.926 1.00 0.00 H new ATOM 0 HG3 GLN B 64 0.083 7.763 5.361 1.00 0.00 H new ATOM 0 HE21 GLN B 64 -2.592 8.081 7.658 1.00 0.00 H new ATOM 0 HE22 GLN B 64 -2.253 9.757 8.103 1.00 0.00 H new ATOM 1380 N LEU B 65 -2.492 4.638 3.982 1.00 0.00 N ATOM 1381 CA LEU B 65 -3.087 3.338 3.728 1.00 0.00 C ATOM 1382 C LEU B 65 -2.192 2.302 4.407 1.00 0.00 C ATOM 1383 O LEU B 65 -1.057 2.120 3.987 1.00 0.00 O ATOM 1384 CB LEU B 65 -3.124 3.055 2.237 1.00 0.00 C ATOM 1385 CG LEU B 65 -4.220 2.098 1.790 1.00 0.00 C ATOM 1386 CD1 LEU B 65 -5.469 2.858 1.413 1.00 0.00 C ATOM 1387 CD2 LEU B 65 -3.717 1.246 0.647 1.00 0.00 C ATOM 0 H LEU B 65 -1.472 4.618 3.960 1.00 0.00 H new ATOM 0 HA LEU B 65 -4.108 3.306 4.109 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -3.248 3.999 1.706 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -2.160 2.645 1.936 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.482 1.438 2.617 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -6.240 2.156 1.096 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -5.825 3.424 2.274 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -5.245 3.544 0.596 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -4.504 0.562 0.329 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -3.435 1.887 -0.188 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -2.849 0.674 0.974 1.00 0.00 H new ATOM 1399 N GLN B 66 -2.664 1.626 5.444 1.00 0.00 N ATOM 1400 CA GLN B 66 -1.804 0.678 6.145 1.00 0.00 C ATOM 1401 C GLN B 66 -2.333 -0.739 6.099 1.00 0.00 C ATOM 1402 O GLN B 66 -3.540 -0.970 6.035 1.00 0.00 O ATOM 1403 CB GLN B 66 -1.569 1.100 7.600 1.00 0.00 C ATOM 1404 CG GLN B 66 -2.653 0.663 8.560 1.00 0.00 C ATOM 1405 CD GLN B 66 -2.131 0.411 9.961 1.00 0.00 C ATOM 1406 OE1 GLN B 66 -1.664 -0.680 10.264 1.00 0.00 O ATOM 1407 NE2 GLN B 66 -2.235 1.408 10.831 1.00 0.00 N ATOM 0 H GLN B 66 -3.611 1.710 5.813 1.00 0.00 H new ATOM 0 HA GLN B 66 -0.852 0.692 5.614 1.00 0.00 H new ATOM 0 HB2 GLN B 66 -0.617 0.690 7.935 1.00 0.00 H new ATOM 0 HB3 GLN B 66 -1.480 2.186 7.641 1.00 0.00 H new ATOM 0 HG2 GLN B 66 -3.428 1.428 8.598 1.00 0.00 H new ATOM 0 HG3 GLN B 66 -3.121 -0.246 8.183 1.00 0.00 H new ATOM 0 HE21 GLN B 66 -2.630 2.302 10.538 1.00 0.00 H new ATOM 0 HE22 GLN B 66 -1.920 1.281 11.793 1.00 0.00 H new ATOM 1416 N LEU B 67 -1.406 -1.677 6.138 1.00 0.00 N ATOM 1417 CA LEU B 67 -1.733 -3.086 6.103 1.00 0.00 C ATOM 1418 C LEU B 67 -1.276 -3.781 7.376 1.00 0.00 C ATOM 1419 O LEU B 67 -0.121 -3.658 7.783 1.00 0.00 O ATOM 1420 CB LEU B 67 -1.063 -3.742 4.896 1.00 0.00 C ATOM 1421 CG LEU B 67 -1.233 -2.987 3.583 1.00 0.00 C ATOM 1422 CD1 LEU B 67 -0.221 -3.468 2.557 1.00 0.00 C ATOM 1423 CD2 LEU B 67 -2.648 -3.146 3.053 1.00 0.00 C ATOM 0 H LEU B 67 -0.406 -1.482 6.195 1.00 0.00 H new ATOM 0 HA LEU B 67 -2.816 -3.184 6.023 1.00 0.00 H new ATOM 0 HB2 LEU B 67 0.002 -3.849 5.103 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -1.467 -4.747 4.776 1.00 0.00 H new ATOM 0 HG LEU B 67 -1.055 -1.928 3.771 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -0.357 -2.918 1.626 1.00 0.00 H new ATOM 0 HD12 LEU B 67 0.788 -3.299 2.934 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -0.366 -4.533 2.374 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -2.749 -2.600 2.115 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -2.856 -4.202 2.882 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -3.356 -2.750 3.781 1.00 0.00 H new ATOM 1435 N VAL B 68 -2.198 -4.485 8.005 1.00 0.00 N ATOM 1436 CA VAL B 68 -1.910 -5.247 9.210 1.00 0.00 C ATOM 1437 C VAL B 68 -1.529 -6.646 8.783 1.00 0.00 C ATOM 1438 O VAL B 68 -2.382 -7.424 8.371 1.00 0.00 O ATOM 1439 CB VAL B 68 -3.119 -5.309 10.166 1.00 0.00 C ATOM 1440 CG1 VAL B 68 -2.728 -5.960 11.485 1.00 0.00 C ATOM 1441 CG2 VAL B 68 -3.693 -3.919 10.402 1.00 0.00 C ATOM 0 H VAL B 68 -3.168 -4.546 7.697 1.00 0.00 H new ATOM 0 HA VAL B 68 -1.102 -4.758 9.754 1.00 0.00 H new ATOM 0 HB VAL B 68 -3.891 -5.920 9.699 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -3.595 -5.994 12.145 1.00 0.00 H new ATOM 0 HG12 VAL B 68 -2.373 -6.974 11.299 1.00 0.00 H new ATOM 0 HG13 VAL B 68 -1.935 -5.379 11.957 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -4.545 -3.987 11.079 1.00 0.00 H new ATOM 0 HG22 VAL B 68 -2.928 -3.280 10.844 1.00 0.00 H new ATOM 0 HG23 VAL B 68 -4.018 -3.493 9.452 1.00 0.00 H new ATOM 1451 N LEU B 69 -0.251 -6.959 8.857 1.00 0.00 N ATOM 1452 CA LEU B 69 0.225 -8.256 8.415 1.00 0.00 C ATOM 1453 C LEU B 69 0.079 -9.320 9.495 1.00 0.00 C ATOM 1454 O LEU B 69 -0.055 -9.012 10.679 1.00 0.00 O ATOM 1455 CB LEU B 69 1.679 -8.165 7.963 1.00 0.00 C ATOM 1456 CG LEU B 69 2.101 -6.814 7.381 1.00 0.00 C ATOM 1457 CD1 LEU B 69 3.610 -6.759 7.207 1.00 0.00 C ATOM 1458 CD2 LEU B 69 1.407 -6.551 6.053 1.00 0.00 C ATOM 0 H LEU B 69 0.474 -6.338 9.217 1.00 0.00 H new ATOM 0 HA LEU B 69 -0.397 -8.556 7.572 1.00 0.00 H new ATOM 0 HB2 LEU B 69 2.321 -8.392 8.814 1.00 0.00 H new ATOM 0 HB3 LEU B 69 1.858 -8.936 7.214 1.00 0.00 H new ATOM 0 HG LEU B 69 1.800 -6.036 8.082 1.00 0.00 H new ATOM 0 HD11 LEU B 69 3.893 -5.792 6.792 1.00 0.00 H new ATOM 0 HD12 LEU B 69 4.093 -6.894 8.175 1.00 0.00 H new ATOM 0 HD13 LEU B 69 3.927 -7.551 6.529 1.00 0.00 H new ATOM 0 HD21 LEU B 69 1.725 -5.585 5.662 1.00 0.00 H new ATOM 0 HD22 LEU B 69 1.671 -7.335 5.343 1.00 0.00 H new ATOM 0 HD23 LEU B 69 0.327 -6.545 6.202 1.00 0.00 H new ATOM 1470 N HIS B 70 0.121 -10.578 9.064 1.00 0.00 N ATOM 1471 CA HIS B 70 -0.002 -11.727 9.967 1.00 0.00 C ATOM 1472 C HIS B 70 1.151 -11.776 10.965 1.00 0.00 C ATOM 1473 O HIS B 70 1.057 -12.427 12.002 1.00 0.00 O ATOM 1474 CB HIS B 70 -0.032 -13.038 9.172 1.00 0.00 C ATOM 1475 CG HIS B 70 -1.254 -13.213 8.324 1.00 0.00 C ATOM 1476 ND1 HIS B 70 -1.848 -12.352 7.466 1.00 0.00 N flip ATOM 1477 CD2 HIS B 70 -2.008 -14.363 8.283 1.00 0.00 C flip ATOM 1478 CE1 HIS B 70 -2.959 -12.957 6.899 1.00 0.00 C flip ATOM 1479 NE2 HIS B 70 -3.011 -14.163 7.417 1.00 0.00 N flip ATOM 0 H HIS B 70 0.241 -10.833 8.084 1.00 0.00 H new ATOM 0 HA HIS B 70 -0.937 -11.609 10.514 1.00 0.00 H new ATOM 0 HB2 HIS B 70 0.850 -13.083 8.533 1.00 0.00 H new ATOM 0 HB3 HIS B 70 0.036 -13.874 9.868 1.00 0.00 H new ATOM 0 HD1 HIS B 70 -1.528 -11.404 7.267 1.00 0.00 H new ATOM 0 HD2 HIS B 70 -1.824 -15.265 8.848 1.00 0.00 H new ATOM 0 HE1 HIS B 70 -3.640 -12.526 6.180 1.00 0.00 H new ATOM 1487 N ALA B 71 2.238 -11.088 10.640 1.00 0.00 N ATOM 1488 CA ALA B 71 3.410 -11.056 11.503 1.00 0.00 C ATOM 1489 C ALA B 71 3.242 -10.043 12.632 1.00 0.00 C ATOM 1490 O ALA B 71 4.097 -9.930 13.508 1.00 0.00 O ATOM 1491 CB ALA B 71 4.653 -10.734 10.685 1.00 0.00 C ATOM 0 H ALA B 71 2.332 -10.544 9.783 1.00 0.00 H new ATOM 0 HA ALA B 71 3.524 -12.042 11.954 1.00 0.00 H new ATOM 0 HB1 ALA B 71 5.524 -10.712 11.340 1.00 0.00 H new ATOM 0 HB2 ALA B 71 4.793 -11.498 9.920 1.00 0.00 H new ATOM 0 HB3 ALA B 71 4.533 -9.761 10.209 1.00 0.00 H new ATOM 1497 N GLY B 72 2.139 -9.302 12.602 1.00 0.00 N ATOM 1498 CA GLY B 72 1.883 -8.308 13.629 1.00 0.00 C ATOM 1499 C GLY B 72 2.396 -6.940 13.238 1.00 0.00 C ATOM 1500 O GLY B 72 2.074 -5.940 13.878 1.00 0.00 O ATOM 0 H GLY B 72 1.417 -9.372 11.885 1.00 0.00 H new ATOM 0 HA2 GLY B 72 0.811 -8.252 13.819 1.00 0.00 H new ATOM 0 HA3 GLY B 72 2.356 -8.619 14.560 1.00 0.00 H new ATOM 1504 N ASP B 73 3.199 -6.903 12.184 1.00 0.00 N ATOM 1505 CA ASP B 73 3.764 -5.656 11.687 1.00 0.00 C ATOM 1506 C ASP B 73 2.725 -4.900 10.865 1.00 0.00 C ATOM 1507 O ASP B 73 1.800 -5.505 10.312 1.00 0.00 O ATOM 1508 CB ASP B 73 5.011 -5.942 10.843 1.00 0.00 C ATOM 1509 CG ASP B 73 5.611 -4.686 10.244 1.00 0.00 C ATOM 1510 OD1 ASP B 73 5.968 -3.773 11.017 1.00 0.00 O ATOM 1511 OD2 ASP B 73 5.717 -4.613 9.002 1.00 0.00 O ATOM 0 H ASP B 73 3.476 -7.729 11.653 1.00 0.00 H new ATOM 0 HA ASP B 73 4.054 -5.036 12.535 1.00 0.00 H new ATOM 0 HB2 ASP B 73 5.759 -6.437 11.463 1.00 0.00 H new ATOM 0 HB3 ASP B 73 4.752 -6.634 10.042 1.00 0.00 H new ATOM 1516 N THR B 74 2.870 -3.585 10.794 1.00 0.00 N ATOM 1517 CA THR B 74 1.935 -2.755 10.054 1.00 0.00 C ATOM 1518 C THR B 74 2.674 -1.794 9.128 1.00 0.00 C ATOM 1519 O THR B 74 3.610 -1.114 9.545 1.00 0.00 O ATOM 1520 CB THR B 74 1.051 -1.942 11.020 1.00 0.00 C ATOM 1521 OG1 THR B 74 1.879 -1.235 11.955 1.00 0.00 O ATOM 1522 CG2 THR B 74 0.087 -2.845 11.776 1.00 0.00 C ATOM 0 H THR B 74 3.628 -3.070 11.241 1.00 0.00 H new ATOM 0 HA THR B 74 1.309 -3.417 9.456 1.00 0.00 H new ATOM 0 HB THR B 74 0.468 -1.233 10.432 1.00 0.00 H new ATOM 0 HG1 THR B 74 2.694 -0.930 11.505 1.00 0.00 H new ATOM 0 HG21 THR B 74 -0.523 -2.243 12.449 1.00 0.00 H new ATOM 0 HG22 THR B 74 -0.559 -3.363 11.067 1.00 0.00 H new ATOM 0 HG23 THR B 74 0.651 -3.577 12.354 1.00 0.00 H new ATOM 1530 N THR B 75 2.235 -1.727 7.881 1.00 0.00 N ATOM 1531 CA THR B 75 2.851 -0.849 6.901 1.00 0.00 C ATOM 1532 C THR B 75 1.898 0.285 6.511 1.00 0.00 C ATOM 1533 O THR B 75 0.997 0.080 5.698 1.00 0.00 O ATOM 1534 CB THR B 75 3.229 -1.645 5.638 1.00 0.00 C ATOM 1535 OG1 THR B 75 3.414 -3.028 5.973 1.00 0.00 O ATOM 1536 CG2 THR B 75 4.500 -1.096 5.009 1.00 0.00 C ATOM 0 H THR B 75 1.451 -2.273 7.523 1.00 0.00 H new ATOM 0 HA THR B 75 3.748 -0.422 7.349 1.00 0.00 H new ATOM 0 HB THR B 75 2.418 -1.548 4.916 1.00 0.00 H new ATOM 0 HG1 THR B 75 3.653 -3.531 5.166 1.00 0.00 H new ATOM 0 HG21 THR B 75 4.745 -1.676 4.119 1.00 0.00 H new ATOM 0 HG22 THR B 75 4.348 -0.053 4.732 1.00 0.00 H new ATOM 0 HG23 THR B 75 5.319 -1.166 5.724 1.00 0.00 H new ATOM 1544 N ASN B 76 2.081 1.472 7.094 1.00 0.00 N ATOM 1545 CA ASN B 76 1.217 2.610 6.781 1.00 0.00 C ATOM 1546 C ASN B 76 1.843 3.414 5.642 1.00 0.00 C ATOM 1547 O ASN B 76 2.941 3.953 5.776 1.00 0.00 O ATOM 1548 CB ASN B 76 0.947 3.521 8.013 1.00 0.00 C ATOM 1549 CG ASN B 76 0.982 2.805 9.364 1.00 0.00 C ATOM 1550 OD1 ASN B 76 1.801 1.924 9.606 1.00 0.00 O ATOM 1551 ND2 ASN B 76 0.099 3.202 10.269 1.00 0.00 N ATOM 0 H ASN B 76 2.812 1.668 7.778 1.00 0.00 H new ATOM 0 HA ASN B 76 0.247 2.219 6.475 1.00 0.00 H new ATOM 0 HB2 ASN B 76 1.687 4.322 8.023 1.00 0.00 H new ATOM 0 HB3 ASN B 76 -0.029 3.990 7.892 1.00 0.00 H new ATOM 0 HD21 ASN B 76 0.089 2.773 11.194 1.00 0.00 H new ATOM 0 HD22 ASN B 76 -0.570 3.937 10.040 1.00 0.00 H new ATOM 1558 N PHE B 77 1.131 3.483 4.525 1.00 0.00 N ATOM 1559 CA PHE B 77 1.611 4.177 3.329 1.00 0.00 C ATOM 1560 C PHE B 77 1.087 5.605 3.247 1.00 0.00 C ATOM 1561 O PHE B 77 -0.110 5.821 3.105 1.00 0.00 O ATOM 1562 CB PHE B 77 1.209 3.408 2.071 1.00 0.00 C ATOM 1563 CG PHE B 77 2.090 2.226 1.792 1.00 0.00 C ATOM 1564 CD1 PHE B 77 3.446 2.398 1.570 1.00 0.00 C ATOM 1565 CD2 PHE B 77 1.567 0.944 1.753 1.00 0.00 C ATOM 1566 CE1 PHE B 77 4.263 1.318 1.312 1.00 0.00 C ATOM 1567 CE2 PHE B 77 2.381 -0.143 1.494 1.00 0.00 C ATOM 1568 CZ PHE B 77 3.731 0.045 1.273 1.00 0.00 C ATOM 0 H PHE B 77 0.208 3.063 4.419 1.00 0.00 H new ATOM 0 HA PHE B 77 2.698 4.223 3.399 1.00 0.00 H new ATOM 0 HB2 PHE B 77 0.179 3.068 2.175 1.00 0.00 H new ATOM 0 HB3 PHE B 77 1.237 4.083 1.216 1.00 0.00 H new ATOM 0 HD1 PHE B 77 3.869 3.391 1.599 1.00 0.00 H new ATOM 0 HD2 PHE B 77 0.512 0.792 1.927 1.00 0.00 H new ATOM 0 HE1 PHE B 77 5.319 1.468 1.140 1.00 0.00 H new ATOM 0 HE2 PHE B 77 1.962 -1.138 1.465 1.00 0.00 H new ATOM 0 HZ PHE B 77 4.369 -0.802 1.070 1.00 0.00 H new ATOM 1578 N HIS B 78 1.996 6.565 3.321 1.00 0.00 N ATOM 1579 CA HIS B 78 1.650 7.979 3.269 1.00 0.00 C ATOM 1580 C HIS B 78 1.810 8.539 1.854 1.00 0.00 C ATOM 1581 O HIS B 78 2.910 8.612 1.332 1.00 0.00 O ATOM 1582 CB HIS B 78 2.552 8.732 4.266 1.00 0.00 C ATOM 1583 CG HIS B 78 2.680 10.222 4.058 1.00 0.00 C ATOM 1584 ND1 HIS B 78 3.734 10.964 4.544 1.00 0.00 N ATOM 1585 CD2 HIS B 78 1.889 11.102 3.389 1.00 0.00 C ATOM 1586 CE1 HIS B 78 3.559 12.235 4.161 1.00 0.00 C ATOM 1587 NE2 HIS B 78 2.455 12.371 3.457 1.00 0.00 N ATOM 0 H HIS B 78 2.995 6.387 3.419 1.00 0.00 H new ATOM 0 HA HIS B 78 0.603 8.110 3.542 1.00 0.00 H new ATOM 0 HB2 HIS B 78 2.170 8.558 5.272 1.00 0.00 H new ATOM 0 HB3 HIS B 78 3.549 8.294 4.224 1.00 0.00 H new ATOM 0 HD2 HIS B 78 0.967 10.855 2.884 1.00 0.00 H new ATOM 0 HE1 HIS B 78 4.235 13.043 4.399 1.00 0.00 H new ATOM 0 HE2 HIS B 78 2.090 13.230 3.046 1.00 0.00 H new ATOM 1595 N PHE B 79 0.714 8.944 1.236 1.00 0.00 N ATOM 1596 CA PHE B 79 0.781 9.531 -0.096 1.00 0.00 C ATOM 1597 C PHE B 79 1.028 11.035 0.052 1.00 0.00 C ATOM 1598 O PHE B 79 0.119 11.780 0.412 1.00 0.00 O ATOM 1599 CB PHE B 79 -0.511 9.297 -0.890 1.00 0.00 C ATOM 1600 CG PHE B 79 -1.013 7.878 -0.915 1.00 0.00 C ATOM 1601 CD1 PHE B 79 -1.774 7.376 0.129 1.00 0.00 C ATOM 1602 CD2 PHE B 79 -0.755 7.060 -2.002 1.00 0.00 C ATOM 1603 CE1 PHE B 79 -2.268 6.087 0.088 1.00 0.00 C ATOM 1604 CE2 PHE B 79 -1.241 5.766 -2.046 1.00 0.00 C ATOM 1605 CZ PHE B 79 -2.001 5.280 -1.002 1.00 0.00 C ATOM 0 H PHE B 79 -0.225 8.879 1.628 1.00 0.00 H new ATOM 0 HA PHE B 79 1.592 9.055 -0.647 1.00 0.00 H new ATOM 0 HB2 PHE B 79 -1.292 9.932 -0.473 1.00 0.00 H new ATOM 0 HB3 PHE B 79 -0.349 9.624 -1.917 1.00 0.00 H new ATOM 0 HD1 PHE B 79 -1.983 8.000 0.985 1.00 0.00 H new ATOM 0 HD2 PHE B 79 -0.167 7.437 -2.826 1.00 0.00 H new ATOM 0 HE1 PHE B 79 -2.862 5.710 0.907 1.00 0.00 H new ATOM 0 HE2 PHE B 79 -1.026 5.136 -2.897 1.00 0.00 H new ATOM 0 HZ PHE B 79 -2.386 4.272 -1.036 1.00 0.00 H new ATOM 1615 N SER B 80 2.251 11.481 -0.225 1.00 0.00 N ATOM 1616 CA SER B 80 2.592 12.898 -0.064 1.00 0.00 C ATOM 1617 C SER B 80 2.363 13.713 -1.336 1.00 0.00 C ATOM 1618 O SER B 80 2.910 14.804 -1.491 1.00 0.00 O ATOM 1619 CB SER B 80 4.042 13.048 0.401 1.00 0.00 C ATOM 1620 OG SER B 80 4.945 12.355 -0.449 1.00 0.00 O ATOM 0 H SER B 80 3.015 10.893 -0.558 1.00 0.00 H new ATOM 0 HA SER B 80 1.919 13.297 0.696 1.00 0.00 H new ATOM 0 HB2 SER B 80 4.307 14.105 0.428 1.00 0.00 H new ATOM 0 HB3 SER B 80 4.138 12.669 1.419 1.00 0.00 H new ATOM 0 HG SER B 80 4.442 11.772 -1.055 1.00 0.00 H new ATOM 1626 N ASN B 81 1.562 13.187 -2.241 1.00 0.00 N ATOM 1627 CA ASN B 81 1.256 13.888 -3.476 1.00 0.00 C ATOM 1628 C ASN B 81 -0.242 14.044 -3.593 1.00 0.00 C ATOM 1629 O ASN B 81 -0.890 13.190 -4.165 1.00 0.00 O ATOM 1630 CB ASN B 81 1.782 13.097 -4.669 1.00 0.00 C ATOM 1631 CG ASN B 81 1.553 13.803 -5.994 1.00 0.00 C ATOM 1632 OD1 ASN B 81 1.668 15.023 -6.092 1.00 0.00 O ATOM 1633 ND2 ASN B 81 1.193 13.043 -7.017 1.00 0.00 N ATOM 0 H ASN B 81 1.111 12.277 -2.146 1.00 0.00 H new ATOM 0 HA ASN B 81 1.732 14.868 -3.466 1.00 0.00 H new ATOM 0 HB2 ASN B 81 2.849 12.918 -4.538 1.00 0.00 H new ATOM 0 HB3 ASN B 81 1.296 12.121 -4.694 1.00 0.00 H new ATOM 0 HD21 ASN B 81 1.001 13.467 -7.925 1.00 0.00 H new ATOM 0 HD22 ASN B 81 1.108 12.034 -6.897 1.00 0.00 H new ATOM 1640 N GLU B 82 -0.775 15.150 -3.087 1.00 0.00 N ATOM 1641 CA GLU B 82 -2.225 15.391 -3.096 1.00 0.00 C ATOM 1642 C GLU B 82 -2.825 15.139 -4.474 1.00 0.00 C ATOM 1643 O GLU B 82 -3.880 14.516 -4.592 1.00 0.00 O ATOM 1644 CB GLU B 82 -2.552 16.817 -2.640 1.00 0.00 C ATOM 1645 CG GLU B 82 -3.886 16.939 -1.900 1.00 0.00 C ATOM 1646 CD GLU B 82 -5.058 16.359 -2.678 1.00 0.00 C ATOM 1647 OE1 GLU B 82 -5.533 17.013 -3.629 1.00 0.00 O ATOM 1648 OE2 GLU B 82 -5.491 15.228 -2.362 1.00 0.00 O ATOM 0 H GLU B 82 -0.229 15.900 -2.663 1.00 0.00 H new ATOM 0 HA GLU B 82 -2.669 14.687 -2.393 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -1.753 17.173 -1.990 1.00 0.00 H new ATOM 0 HB3 GLU B 82 -2.569 17.472 -3.511 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -3.809 16.430 -0.939 1.00 0.00 H new ATOM 0 HG3 GLU B 82 -4.083 17.990 -1.689 1.00 0.00 H new ATOM 1655 N SER B 83 -2.118 15.570 -5.506 1.00 0.00 N ATOM 1656 CA SER B 83 -2.572 15.412 -6.878 1.00 0.00 C ATOM 1657 C SER B 83 -3.066 13.988 -7.153 1.00 0.00 C ATOM 1658 O SER B 83 -4.052 13.794 -7.863 1.00 0.00 O ATOM 1659 CB SER B 83 -1.423 15.764 -7.820 1.00 0.00 C ATOM 1660 OG SER B 83 -0.434 16.517 -7.134 1.00 0.00 O ATOM 0 H SER B 83 -1.216 16.038 -5.417 1.00 0.00 H new ATOM 0 HA SER B 83 -3.415 16.082 -7.045 1.00 0.00 H new ATOM 0 HB2 SER B 83 -0.981 14.852 -8.222 1.00 0.00 H new ATOM 0 HB3 SER B 83 -1.801 16.335 -8.668 1.00 0.00 H new ATOM 0 HG SER B 83 0.255 15.913 -6.787 1.00 0.00 H new ATOM 1666 N THR B 84 -2.399 12.996 -6.569 1.00 0.00 N ATOM 1667 CA THR B 84 -2.781 11.608 -6.781 1.00 0.00 C ATOM 1668 C THR B 84 -2.878 10.827 -5.464 1.00 0.00 C ATOM 1669 O THR B 84 -3.100 9.632 -5.473 1.00 0.00 O ATOM 1670 CB THR B 84 -1.767 10.907 -7.714 1.00 0.00 C ATOM 1671 OG1 THR B 84 -0.566 10.586 -7.001 1.00 0.00 O ATOM 1672 CG2 THR B 84 -1.411 11.791 -8.900 1.00 0.00 C ATOM 0 H THR B 84 -1.598 13.128 -5.951 1.00 0.00 H new ATOM 0 HA THR B 84 -3.768 11.618 -7.243 1.00 0.00 H new ATOM 0 HB THR B 84 -2.236 9.993 -8.077 1.00 0.00 H new ATOM 0 HG1 THR B 84 -0.382 9.627 -7.085 1.00 0.00 H new ATOM 0 HG21 THR B 84 -0.696 11.272 -9.539 1.00 0.00 H new ATOM 0 HG22 THR B 84 -2.312 12.014 -9.471 1.00 0.00 H new ATOM 0 HG23 THR B 84 -0.969 12.721 -8.541 1.00 0.00 H new ATOM 1680 N ALA B 85 -2.765 11.508 -4.335 1.00 0.00 N ATOM 1681 CA ALA B 85 -2.771 10.845 -3.029 1.00 0.00 C ATOM 1682 C ALA B 85 -4.101 10.201 -2.701 1.00 0.00 C ATOM 1683 O ALA B 85 -4.219 8.983 -2.681 1.00 0.00 O ATOM 1684 CB ALA B 85 -2.411 11.840 -1.935 1.00 0.00 C ATOM 0 H ALA B 85 -2.667 12.522 -4.291 1.00 0.00 H new ATOM 0 HA ALA B 85 -2.027 10.050 -3.080 1.00 0.00 H new ATOM 0 HB1 ALA B 85 -2.418 11.336 -0.968 1.00 0.00 H new ATOM 0 HB2 ALA B 85 -1.417 12.246 -2.125 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -3.139 12.651 -1.927 1.00 0.00 H new ATOM 1690 N VAL B 86 -5.097 11.028 -2.450 1.00 0.00 N ATOM 1691 CA VAL B 86 -6.433 10.550 -2.108 1.00 0.00 C ATOM 1692 C VAL B 86 -6.989 9.661 -3.216 1.00 0.00 C ATOM 1693 O VAL B 86 -7.671 8.666 -2.968 1.00 0.00 O ATOM 1694 CB VAL B 86 -7.387 11.740 -1.882 1.00 0.00 C ATOM 1695 CG1 VAL B 86 -8.788 11.266 -1.524 1.00 0.00 C ATOM 1696 CG2 VAL B 86 -6.838 12.663 -0.805 1.00 0.00 C ATOM 0 H VAL B 86 -5.010 12.044 -2.476 1.00 0.00 H new ATOM 0 HA VAL B 86 -6.356 9.967 -1.190 1.00 0.00 H new ATOM 0 HB VAL B 86 -7.456 12.298 -2.816 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -9.436 12.129 -1.371 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -9.183 10.654 -2.335 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -8.749 10.675 -0.609 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -7.523 13.498 -0.657 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -6.733 12.111 0.129 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -5.864 13.043 -1.113 1.00 0.00 H new ATOM 1706 N LYS B 87 -6.622 10.004 -4.435 1.00 0.00 N ATOM 1707 CA LYS B 87 -7.085 9.304 -5.615 1.00 0.00 C ATOM 1708 C LYS B 87 -6.435 7.925 -5.741 1.00 0.00 C ATOM 1709 O LYS B 87 -7.129 6.923 -5.918 1.00 0.00 O ATOM 1710 CB LYS B 87 -6.805 10.162 -6.862 1.00 0.00 C ATOM 1711 CG LYS B 87 -7.410 11.572 -6.810 1.00 0.00 C ATOM 1712 CD LYS B 87 -6.554 12.551 -6.001 1.00 0.00 C ATOM 1713 CE LYS B 87 -7.152 13.954 -5.979 1.00 0.00 C ATOM 1714 NZ LYS B 87 -6.509 14.826 -4.951 1.00 0.00 N ATOM 0 H LYS B 87 -5.991 10.780 -4.635 1.00 0.00 H new ATOM 0 HA LYS B 87 -8.159 9.142 -5.525 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -5.726 10.247 -6.995 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -7.194 9.645 -7.739 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -7.527 11.951 -7.825 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -8.407 11.520 -6.373 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -6.453 12.185 -4.979 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -5.551 12.592 -6.426 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -7.039 14.411 -6.962 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -8.222 13.888 -5.779 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -6.900 15.788 -5.018 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -6.696 14.441 -4.003 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -5.483 14.857 -5.115 1.00 0.00 H new ATOM 1728 N GLU B 88 -5.113 7.863 -5.622 1.00 0.00 N ATOM 1729 CA GLU B 88 -4.417 6.589 -5.732 1.00 0.00 C ATOM 1730 C GLU B 88 -4.620 5.773 -4.465 1.00 0.00 C ATOM 1731 O GLU B 88 -4.541 4.551 -4.489 1.00 0.00 O ATOM 1732 CB GLU B 88 -2.930 6.796 -6.039 1.00 0.00 C ATOM 1733 CG GLU B 88 -2.690 7.286 -7.463 1.00 0.00 C ATOM 1734 CD GLU B 88 -1.266 7.083 -7.946 1.00 0.00 C ATOM 1735 OE1 GLU B 88 -0.956 5.983 -8.442 1.00 0.00 O ATOM 1736 OE2 GLU B 88 -0.451 8.036 -7.871 1.00 0.00 O ATOM 0 H GLU B 88 -4.510 8.668 -5.452 1.00 0.00 H new ATOM 0 HA GLU B 88 -4.840 6.031 -6.567 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -2.514 7.517 -5.335 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -2.397 5.858 -5.886 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -3.370 6.765 -8.137 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -2.936 8.346 -7.519 1.00 0.00 H new ATOM 1743 N ARG B 89 -4.903 6.460 -3.362 1.00 0.00 N ATOM 1744 CA ARG B 89 -5.164 5.797 -2.091 1.00 0.00 C ATOM 1745 C ARG B 89 -6.326 4.839 -2.259 1.00 0.00 C ATOM 1746 O ARG B 89 -6.230 3.651 -1.943 1.00 0.00 O ATOM 1747 CB ARG B 89 -5.509 6.821 -1.008 1.00 0.00 C ATOM 1748 CG ARG B 89 -6.119 6.203 0.239 1.00 0.00 C ATOM 1749 CD ARG B 89 -6.862 7.232 1.066 1.00 0.00 C ATOM 1750 NE ARG B 89 -8.175 7.561 0.507 1.00 0.00 N ATOM 1751 CZ ARG B 89 -8.986 8.492 1.007 1.00 0.00 C ATOM 1752 NH1 ARG B 89 -8.639 9.172 2.093 1.00 0.00 N ATOM 1753 NH2 ARG B 89 -10.151 8.732 0.425 1.00 0.00 N ATOM 0 H ARG B 89 -4.957 7.478 -3.324 1.00 0.00 H new ATOM 0 HA ARG B 89 -4.268 5.255 -1.788 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -4.605 7.363 -0.730 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -6.205 7.552 -1.419 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -6.802 5.404 -0.048 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -5.333 5.749 0.843 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -6.987 6.855 2.081 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -6.262 8.140 1.134 1.00 0.00 H new ATOM 0 HE ARG B 89 -8.488 7.046 -0.316 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -7.747 8.983 2.550 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -9.265 9.884 2.471 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -10.425 8.205 -0.404 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -10.774 9.444 0.806 1.00 0.00 H new ATOM 1767 N ASP B 90 -7.423 5.375 -2.774 1.00 0.00 N ATOM 1768 CA ASP B 90 -8.617 4.590 -3.010 1.00 0.00 C ATOM 1769 C ASP B 90 -8.369 3.545 -4.081 1.00 0.00 C ATOM 1770 O ASP B 90 -8.894 2.440 -4.010 1.00 0.00 O ATOM 1771 CB ASP B 90 -9.781 5.497 -3.409 1.00 0.00 C ATOM 1772 CG ASP B 90 -10.575 5.957 -2.204 1.00 0.00 C ATOM 1773 OD1 ASP B 90 -10.124 6.894 -1.514 1.00 0.00 O ATOM 1774 OD2 ASP B 90 -11.637 5.357 -1.928 1.00 0.00 O ATOM 0 H ASP B 90 -7.507 6.357 -3.037 1.00 0.00 H new ATOM 0 HA ASP B 90 -8.878 4.076 -2.085 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -9.398 6.365 -3.945 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -10.439 4.964 -4.095 1.00 0.00 H new ATOM 1779 N ALA B 91 -7.514 3.880 -5.036 1.00 0.00 N ATOM 1780 CA ALA B 91 -7.203 2.964 -6.134 1.00 0.00 C ATOM 1781 C ALA B 91 -6.448 1.742 -5.623 1.00 0.00 C ATOM 1782 O ALA B 91 -6.621 0.628 -6.118 1.00 0.00 O ATOM 1783 CB ALA B 91 -6.396 3.676 -7.211 1.00 0.00 C ATOM 0 H ALA B 91 -7.023 4.773 -5.077 1.00 0.00 H new ATOM 0 HA ALA B 91 -8.143 2.626 -6.571 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -6.174 2.979 -8.019 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -6.972 4.515 -7.602 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -5.464 4.044 -6.783 1.00 0.00 H new ATOM 1789 N VAL B 92 -5.626 1.965 -4.612 1.00 0.00 N ATOM 1790 CA VAL B 92 -4.836 0.904 -4.012 1.00 0.00 C ATOM 1791 C VAL B 92 -5.713 0.083 -3.085 1.00 0.00 C ATOM 1792 O VAL B 92 -5.719 -1.144 -3.153 1.00 0.00 O ATOM 1793 CB VAL B 92 -3.623 1.458 -3.226 1.00 0.00 C ATOM 1794 CG1 VAL B 92 -2.876 0.339 -2.522 1.00 0.00 C ATOM 1795 CG2 VAL B 92 -2.680 2.214 -4.146 1.00 0.00 C ATOM 0 H VAL B 92 -5.488 2.881 -4.186 1.00 0.00 H new ATOM 0 HA VAL B 92 -4.450 0.279 -4.817 1.00 0.00 H new ATOM 0 HB VAL B 92 -4.004 2.149 -2.474 1.00 0.00 H new ATOM 0 HG11 VAL B 92 -2.028 0.754 -1.977 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -3.546 -0.163 -1.824 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -2.517 -0.379 -3.259 1.00 0.00 H new ATOM 0 HG21 VAL B 92 -1.836 2.593 -3.570 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -2.316 1.544 -4.925 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -3.210 3.048 -4.605 1.00 0.00 H new ATOM 1805 N LYS B 93 -6.466 0.778 -2.237 1.00 0.00 N ATOM 1806 CA LYS B 93 -7.383 0.138 -1.297 1.00 0.00 C ATOM 1807 C LYS B 93 -8.284 -0.837 -2.044 1.00 0.00 C ATOM 1808 O LYS B 93 -8.469 -1.984 -1.633 1.00 0.00 O ATOM 1809 CB LYS B 93 -8.223 1.214 -0.597 1.00 0.00 C ATOM 1810 CG LYS B 93 -9.448 0.683 0.130 1.00 0.00 C ATOM 1811 CD LYS B 93 -10.723 0.927 -0.666 1.00 0.00 C ATOM 1812 CE LYS B 93 -11.075 2.403 -0.725 1.00 0.00 C ATOM 1813 NZ LYS B 93 -12.021 2.707 -1.830 1.00 0.00 N ATOM 0 H LYS B 93 -6.459 1.796 -2.181 1.00 0.00 H new ATOM 0 HA LYS B 93 -6.817 -0.415 -0.547 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -7.592 1.742 0.118 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -8.545 1.945 -1.338 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -9.330 -0.386 0.310 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -9.530 1.163 1.105 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -10.599 0.542 -1.678 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -11.546 0.374 -0.213 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -11.516 2.709 0.224 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -10.165 2.988 -0.856 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -12.065 3.736 -1.977 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -11.694 2.246 -2.703 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -12.967 2.352 -1.584 1.00 0.00 H new ATOM 1827 N ASP B 94 -8.821 -0.349 -3.151 1.00 0.00 N ATOM 1828 CA ASP B 94 -9.693 -1.117 -4.020 1.00 0.00 C ATOM 1829 C ASP B 94 -9.008 -2.378 -4.529 1.00 0.00 C ATOM 1830 O ASP B 94 -9.498 -3.485 -4.315 1.00 0.00 O ATOM 1831 CB ASP B 94 -10.132 -0.240 -5.192 1.00 0.00 C ATOM 1832 CG ASP B 94 -11.433 0.494 -4.920 1.00 0.00 C ATOM 1833 OD1 ASP B 94 -11.497 1.263 -3.935 1.00 0.00 O ATOM 1834 OD2 ASP B 94 -12.395 0.294 -5.687 1.00 0.00 O ATOM 0 H ASP B 94 -8.660 0.605 -3.474 1.00 0.00 H new ATOM 0 HA ASP B 94 -10.565 -1.431 -3.446 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -9.349 0.486 -5.410 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -10.249 -0.860 -6.081 1.00 0.00 H new ATOM 1839 N LEU B 95 -7.865 -2.214 -5.181 1.00 0.00 N ATOM 1840 CA LEU B 95 -7.125 -3.352 -5.718 1.00 0.00 C ATOM 1841 C LEU B 95 -6.743 -4.329 -4.611 1.00 0.00 C ATOM 1842 O LEU B 95 -6.782 -5.543 -4.803 1.00 0.00 O ATOM 1843 CB LEU B 95 -5.871 -2.877 -6.463 1.00 0.00 C ATOM 1844 CG LEU B 95 -5.934 -2.989 -7.995 1.00 0.00 C ATOM 1845 CD1 LEU B 95 -7.178 -2.302 -8.538 1.00 0.00 C ATOM 1846 CD2 LEU B 95 -4.686 -2.387 -8.621 1.00 0.00 C ATOM 0 H LEU B 95 -7.430 -1.308 -5.351 1.00 0.00 H new ATOM 0 HA LEU B 95 -7.775 -3.872 -6.422 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -5.684 -1.836 -6.199 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -5.017 -3.454 -6.108 1.00 0.00 H new ATOM 0 HG LEU B 95 -5.985 -4.046 -8.257 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -7.200 -2.395 -9.624 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -8.066 -2.771 -8.116 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -7.160 -1.247 -8.264 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -4.745 -2.474 -9.706 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -4.611 -1.335 -8.345 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -3.806 -2.920 -8.262 1.00 0.00 H new ATOM 1858 N LEU B 96 -6.412 -3.796 -3.445 1.00 0.00 N ATOM 1859 CA LEU B 96 -6.017 -4.624 -2.317 1.00 0.00 C ATOM 1860 C LEU B 96 -7.174 -5.467 -1.801 1.00 0.00 C ATOM 1861 O LEU B 96 -7.058 -6.686 -1.692 1.00 0.00 O ATOM 1862 CB LEU B 96 -5.465 -3.769 -1.193 1.00 0.00 C ATOM 1863 CG LEU B 96 -4.148 -3.094 -1.526 1.00 0.00 C ATOM 1864 CD1 LEU B 96 -3.654 -2.277 -0.348 1.00 0.00 C ATOM 1865 CD2 LEU B 96 -3.112 -4.117 -1.941 1.00 0.00 C ATOM 0 H LEU B 96 -6.409 -2.794 -3.255 1.00 0.00 H new ATOM 0 HA LEU B 96 -5.238 -5.299 -2.672 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -6.199 -3.005 -0.936 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -5.330 -4.391 -0.308 1.00 0.00 H new ATOM 0 HG LEU B 96 -4.313 -2.418 -2.365 1.00 0.00 H new ATOM 0 HD11 LEU B 96 -2.708 -1.801 -0.607 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -4.390 -1.512 -0.102 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -3.508 -2.930 0.512 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -2.175 -3.612 -2.175 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -2.950 -4.822 -1.126 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -3.464 -4.655 -2.821 1.00 0.00 H new ATOM 1877 N GLN B 97 -8.296 -4.817 -1.508 1.00 0.00 N ATOM 1878 CA GLN B 97 -9.471 -5.509 -0.986 1.00 0.00 C ATOM 1879 C GLN B 97 -10.020 -6.510 -2.001 1.00 0.00 C ATOM 1880 O GLN B 97 -10.706 -7.461 -1.635 1.00 0.00 O ATOM 1881 CB GLN B 97 -10.559 -4.506 -0.589 1.00 0.00 C ATOM 1882 CG GLN B 97 -11.205 -3.797 -1.766 1.00 0.00 C ATOM 1883 CD GLN B 97 -12.343 -2.881 -1.355 1.00 0.00 C ATOM 1884 OE1 GLN B 97 -12.232 -2.270 -0.183 1.00 0.00 O flip ATOM 1885 NE2 GLN B 97 -13.314 -2.720 -2.090 1.00 0.00 N flip ATOM 0 H GLN B 97 -8.417 -3.811 -1.623 1.00 0.00 H new ATOM 0 HA GLN B 97 -9.163 -6.060 -0.098 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -11.331 -5.028 -0.024 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -10.126 -3.760 0.078 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -10.449 -3.214 -2.292 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -11.580 -4.540 -2.469 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -13.363 -3.208 -2.984 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -14.071 -2.098 -1.806 1.00 0.00 H new ATOM 1894 N GLN B 98 -9.722 -6.284 -3.272 1.00 0.00 N ATOM 1895 CA GLN B 98 -10.180 -7.174 -4.332 1.00 0.00 C ATOM 1896 C GLN B 98 -9.294 -8.417 -4.442 1.00 0.00 C ATOM 1897 O GLN B 98 -9.781 -9.516 -4.700 1.00 0.00 O ATOM 1898 CB GLN B 98 -10.207 -6.433 -5.669 1.00 0.00 C ATOM 1899 CG GLN B 98 -11.386 -5.481 -5.814 1.00 0.00 C ATOM 1900 CD GLN B 98 -11.203 -4.488 -6.946 1.00 0.00 C ATOM 1901 OE1 GLN B 98 -10.586 -4.793 -7.965 1.00 0.00 O ATOM 1902 NE2 GLN B 98 -11.734 -3.286 -6.770 1.00 0.00 N ATOM 0 H GLN B 98 -9.166 -5.493 -3.596 1.00 0.00 H new ATOM 0 HA GLN B 98 -11.189 -7.500 -4.079 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -9.280 -5.870 -5.782 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -10.238 -7.162 -6.479 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -12.294 -6.058 -5.986 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -11.526 -4.938 -4.879 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -12.239 -3.072 -5.910 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -11.638 -2.575 -7.495 1.00 0.00 H new ATOM 1911 N LEU B 99 -7.995 -8.239 -4.237 1.00 0.00 N ATOM 1912 CA LEU B 99 -7.045 -9.344 -4.333 1.00 0.00 C ATOM 1913 C LEU B 99 -6.900 -10.107 -3.018 1.00 0.00 C ATOM 1914 O LEU B 99 -6.576 -11.293 -3.019 1.00 0.00 O ATOM 1915 CB LEU B 99 -5.687 -8.817 -4.787 1.00 0.00 C ATOM 1916 CG LEU B 99 -5.686 -8.240 -6.200 1.00 0.00 C ATOM 1917 CD1 LEU B 99 -4.512 -7.295 -6.395 1.00 0.00 C ATOM 1918 CD2 LEU B 99 -5.649 -9.358 -7.231 1.00 0.00 C ATOM 0 H LEU B 99 -7.573 -7.340 -4.003 1.00 0.00 H new ATOM 0 HA LEU B 99 -7.436 -10.048 -5.068 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -5.357 -8.046 -4.091 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -4.959 -9.627 -4.736 1.00 0.00 H new ATOM 0 HG LEU B 99 -6.606 -7.672 -6.338 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -4.531 -6.896 -7.409 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -4.583 -6.475 -5.680 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -3.579 -7.836 -6.236 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -5.649 -8.929 -8.233 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -4.746 -9.953 -7.091 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -6.525 -9.995 -7.109 1.00 0.00 H new ATOM 1930 N LEU B 100 -7.147 -9.426 -1.904 1.00 0.00 N ATOM 1931 CA LEU B 100 -7.031 -10.031 -0.572 1.00 0.00 C ATOM 1932 C LEU B 100 -7.781 -11.368 -0.434 1.00 0.00 C ATOM 1933 O LEU B 100 -7.189 -12.349 0.010 1.00 0.00 O ATOM 1934 CB LEU B 100 -7.503 -9.058 0.513 1.00 0.00 C ATOM 1935 CG LEU B 100 -6.414 -8.153 1.092 1.00 0.00 C ATOM 1936 CD1 LEU B 100 -7.015 -7.164 2.075 1.00 0.00 C ATOM 1937 CD2 LEU B 100 -5.332 -8.981 1.767 1.00 0.00 C ATOM 0 H LEU B 100 -7.431 -8.447 -1.893 1.00 0.00 H new ATOM 0 HA LEU B 100 -5.971 -10.248 -0.439 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -8.292 -8.431 0.098 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -7.947 -9.632 1.326 1.00 0.00 H new ATOM 0 HG LEU B 100 -5.959 -7.596 0.273 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -6.227 -6.527 2.478 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -7.754 -6.547 1.564 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -7.495 -7.707 2.889 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -4.567 -8.319 2.172 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -5.772 -9.565 2.575 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -4.881 -9.654 1.038 1.00 0.00 H new ATOM 1949 N PRO B 101 -9.080 -11.450 -0.813 1.00 0.00 N ATOM 1950 CA PRO B 101 -9.862 -12.694 -0.688 1.00 0.00 C ATOM 1951 C PRO B 101 -9.289 -13.863 -1.492 1.00 0.00 C ATOM 1952 O PRO B 101 -9.682 -15.011 -1.286 1.00 0.00 O ATOM 1953 CB PRO B 101 -11.248 -12.315 -1.223 1.00 0.00 C ATOM 1954 CG PRO B 101 -11.026 -11.091 -2.039 1.00 0.00 C ATOM 1955 CD PRO B 101 -9.898 -10.361 -1.374 1.00 0.00 C ATOM 0 HA PRO B 101 -9.863 -13.046 0.344 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -11.672 -13.119 -1.825 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -11.947 -12.125 -0.408 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -10.774 -11.347 -3.068 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -11.925 -10.475 -2.074 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -9.333 -9.758 -2.085 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -10.257 -9.685 -0.598 1.00 0.00 H new ATOM 1963 N LYS B 102 -8.362 -13.579 -2.399 1.00 0.00 N ATOM 1964 CA LYS B 102 -7.757 -14.624 -3.212 1.00 0.00 C ATOM 1965 C LYS B 102 -6.561 -15.242 -2.491 1.00 0.00 C ATOM 1966 O LYS B 102 -5.988 -16.228 -2.954 1.00 0.00 O ATOM 1967 CB LYS B 102 -7.314 -14.066 -4.568 1.00 0.00 C ATOM 1968 CG LYS B 102 -7.295 -15.109 -5.676 1.00 0.00 C ATOM 1969 CD LYS B 102 -6.225 -14.812 -6.720 1.00 0.00 C ATOM 1970 CE LYS B 102 -4.852 -15.283 -6.263 1.00 0.00 C ATOM 1971 NZ LYS B 102 -3.819 -15.107 -7.320 1.00 0.00 N ATOM 0 H LYS B 102 -8.015 -12.639 -2.589 1.00 0.00 H new ATOM 0 HA LYS B 102 -8.507 -15.397 -3.378 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -7.983 -13.255 -4.855 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -6.317 -13.636 -4.467 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -7.117 -16.094 -5.244 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -8.272 -15.144 -6.158 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -6.485 -15.302 -7.658 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -6.196 -13.740 -6.918 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -4.557 -14.728 -5.372 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -4.905 -16.334 -5.980 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -2.955 -15.619 -7.050 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -4.177 -15.483 -8.221 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -3.602 -14.096 -7.428 1.00 0.00 H new ATOM 1985 N PHE B 103 -6.179 -14.649 -1.364 1.00 0.00 N ATOM 1986 CA PHE B 103 -5.050 -15.149 -0.589 1.00 0.00 C ATOM 1987 C PHE B 103 -5.449 -15.376 0.862 1.00 0.00 C ATOM 1988 O PHE B 103 -4.996 -16.325 1.503 1.00 0.00 O ATOM 1989 CB PHE B 103 -3.891 -14.156 -0.654 1.00 0.00 C ATOM 1990 CG PHE B 103 -3.388 -13.920 -2.046 1.00 0.00 C ATOM 1991 CD1 PHE B 103 -3.980 -12.965 -2.856 1.00 0.00 C ATOM 1992 CD2 PHE B 103 -2.332 -14.659 -2.547 1.00 0.00 C ATOM 1993 CE1 PHE B 103 -3.529 -12.750 -4.138 1.00 0.00 C ATOM 1994 CE2 PHE B 103 -1.878 -14.449 -3.831 1.00 0.00 C ATOM 1995 CZ PHE B 103 -2.477 -13.494 -4.626 1.00 0.00 C ATOM 0 H PHE B 103 -6.633 -13.825 -0.969 1.00 0.00 H new ATOM 0 HA PHE B 103 -4.736 -16.101 -1.017 1.00 0.00 H new ATOM 0 HB2 PHE B 103 -4.211 -13.206 -0.225 1.00 0.00 H new ATOM 0 HB3 PHE B 103 -3.071 -14.524 -0.037 1.00 0.00 H new ATOM 0 HD1 PHE B 103 -4.806 -12.382 -2.477 1.00 0.00 H new ATOM 0 HD2 PHE B 103 -1.859 -15.407 -1.927 1.00 0.00 H new ATOM 0 HE1 PHE B 103 -3.998 -12.001 -4.759 1.00 0.00 H new ATOM 0 HE2 PHE B 103 -1.054 -15.032 -4.215 1.00 0.00 H new ATOM 0 HZ PHE B 103 -2.121 -13.329 -5.632 1.00 0.00 H new