USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=25 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 14 LYS NZ :NH3+ -165:sc= 2.35 (180deg=0.74) USER MOD Set 1.2: B 81 ASN : amide:sc= 0.817 K(o=2.6,f=-7.4) USER MOD Set 1.3: B 84 THR OG1 : rot -179:sc= -0.518 USER MOD Set 2.1: B 66 GLN : amide:sc= -4.83! C(o=-5.5!,f=-6.2!) USER MOD Set 2.2: B 76 ASN : amide:sc= -0.692 K(o=-5.5,f=-9.2!) USER MOD Set 3.1: A 52 GLN : amide:sc= -6.81! C(o=-7.7!,f=-12!) USER MOD Set 3.2: B 56 SER OG : rot 69:sc= 2.39 USER MOD Set 3.3: B 62 LYS NZ :NH3+ -151:sc= 0.844 (180deg=-0.943!) USER MOD Set 3.4: B 64 GLN : amide:sc= -4.12! C(o=-7.7!,f=-18!) USER MOD Set 4.1: B 51 LYS NZ :NH3+ -113:sc= 1.18 (180deg=-0.00976) USER MOD Set 4.2: B 52 CYS SG : rot 120:sc= -1.87! USER MOD Set 5.1: B 17 GLN : amide:sc= -2.49! C(o=-2.2!,f=-5.8!) USER MOD Set 5.2: B 18 LYS NZ :NH3+ 145:sc= 0.308 (180deg=-1.43!) USER MOD Single : B 13 LYS NZ :NH3+ -161:sc= 2.34 (180deg=1.25) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 GLN :FLIP amide:sc= -0.0933 F(o=-1.5!,f=-0.093) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 MET CE :methyl 173:sc= -0.0632 (180deg=-0.161) USER MOD Single : B 42 THR OG1 : rot 173:sc= 0.0265 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 45 HIS : no HD1:sc= -0.337 X(o=-0.34,f=-0.82) USER MOD Single : B 46 MET CE :methyl 155:sc= 0 (180deg=-0.43) USER MOD Single : B 47 TYR OH : rot 156:sc= 1.06 USER MOD Single : B 53 GLN : amide:sc= -0.261! C(o=-0.26!,f=-4.7!) USER MOD Single : B 54 LYS NZ :NH3+ -165:sc= 1.29 (180deg=1.07) USER MOD Single : B 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 70 HIS :FLIP no HE2:sc= -0.417 F(o=-2.4,f=-0.42) USER MOD Single : B 74 THR OG1 : rot 43:sc= 0.0491 USER MOD Single : B 75 THR OG1 : rot 180:sc= 0 USER MOD Single : B 78 HIS : no HD1:sc= -4.67 K(o=-4.7,f=-6.6!) USER MOD Single : B 80 SER OG : rot 50:sc= 0.561 USER MOD Single : B 83 SER OG : rot 70:sc= 0.48 USER MOD Single : B 87 LYS NZ :NH3+ -169:sc= 1.26 (180deg=1.02) USER MOD Single : B 93 LYS NZ :NH3+ -164:sc= 2.23 (180deg=1.83) USER MOD Single : B 97 GLN :FLIP amide:sc= 0 F(o=-0.9,f=0) USER MOD Single : B 98 GLN : amide:sc= 0.63 K(o=0.63,f=0) USER MOD Single : B 102 LYS NZ :NH3+ -164:sc= 0.565 (180deg=0.443) USER MOD ----------------------------------------------------------------- ATOM 134 N ILE A 50 -1.713 8.422 14.411 1.00 0.00 N ATOM 135 CA ILE A 50 -2.162 8.147 13.071 1.00 0.00 C ATOM 136 C ILE A 50 -3.293 7.148 13.007 1.00 0.00 C ATOM 137 O ILE A 50 -3.842 6.961 11.946 1.00 0.00 O ATOM 138 CB ILE A 50 -0.976 7.692 12.198 1.00 0.00 C ATOM 139 CG1 ILE A 50 -1.022 8.406 10.853 1.00 0.00 C ATOM 140 CG2 ILE A 50 -0.953 6.187 12.008 1.00 0.00 C ATOM 141 CD1 ILE A 50 0.168 8.117 9.967 1.00 0.00 C ATOM 0 HA ILE A 50 -2.567 9.080 12.679 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.055 7.960 12.716 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.932 8.115 10.329 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.083 9.481 11.025 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.101 5.912 11.387 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.867 5.699 12.979 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.875 5.868 11.522 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.063 8.661 9.028 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.082 8.434 10.470 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.219 7.047 9.763 1.00 0.00 H new ATOM 153 N GLU A 51 -3.686 6.536 14.109 1.00 0.00 N ATOM 154 CA GLU A 51 -4.774 5.576 14.042 1.00 0.00 C ATOM 155 C GLU A 51 -6.139 6.275 13.920 1.00 0.00 C ATOM 156 O GLU A 51 -6.925 6.334 14.865 1.00 0.00 O ATOM 157 CB GLU A 51 -4.722 4.599 15.215 1.00 0.00 C ATOM 158 CG GLU A 51 -3.524 3.656 15.136 1.00 0.00 C ATOM 159 CD GLU A 51 -3.378 2.995 13.774 1.00 0.00 C ATOM 160 OE1 GLU A 51 -3.987 1.926 13.555 1.00 0.00 O ATOM 161 OE2 GLU A 51 -2.646 3.542 12.920 1.00 0.00 O ATOM 0 H GLU A 51 -3.283 6.679 15.035 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.645 4.988 13.133 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.679 5.159 16.149 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.641 4.013 15.237 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.615 4.213 15.363 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.625 2.885 15.899 1.00 0.00 H new ATOM 168 N GLN A 52 -6.363 6.843 12.734 1.00 0.00 N ATOM 169 CA GLN A 52 -7.600 7.531 12.369 1.00 0.00 C ATOM 170 C GLN A 52 -8.064 6.970 11.050 1.00 0.00 C ATOM 171 O GLN A 52 -8.416 7.678 10.110 1.00 0.00 O ATOM 172 CB GLN A 52 -7.385 9.055 12.278 1.00 0.00 C ATOM 173 CG GLN A 52 -6.527 9.501 11.088 1.00 0.00 C ATOM 174 CD GLN A 52 -5.050 9.583 11.410 1.00 0.00 C ATOM 175 OE1 GLN A 52 -4.666 10.039 12.481 1.00 0.00 O ATOM 176 NE2 GLN A 52 -4.205 9.109 10.497 1.00 0.00 N ATOM 0 H GLN A 52 -5.672 6.837 11.984 1.00 0.00 H new ATOM 0 HA GLN A 52 -8.358 7.368 13.135 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.357 9.544 12.214 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.915 9.400 13.199 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.673 8.804 10.263 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.872 10.477 10.746 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.561 8.737 9.617 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.201 9.118 10.678 1.00 0.00 H new ATOM 185 N TRP A 53 -8.093 5.671 11.018 1.00 0.00 N ATOM 186 CA TRP A 53 -8.436 4.951 9.833 1.00 0.00 C ATOM 187 C TRP A 53 -9.890 4.525 9.840 1.00 0.00 C ATOM 188 O TRP A 53 -10.639 4.831 10.765 1.00 0.00 O ATOM 189 CB TRP A 53 -7.496 3.759 9.724 1.00 0.00 C ATOM 190 CG TRP A 53 -6.049 4.157 9.850 1.00 0.00 C ATOM 191 CD1 TRP A 53 -5.411 4.663 10.938 1.00 0.00 C ATOM 192 CD2 TRP A 53 -5.078 4.109 8.826 1.00 0.00 C ATOM 193 NE1 TRP A 53 -4.092 4.904 10.638 1.00 0.00 N ATOM 194 CE2 TRP A 53 -3.864 4.584 9.342 1.00 0.00 C ATOM 195 CE3 TRP A 53 -5.129 3.704 7.528 1.00 0.00 C ATOM 196 CZ2 TRP A 53 -2.705 4.666 8.563 1.00 0.00 C ATOM 197 CZ3 TRP A 53 -4.016 3.774 6.765 1.00 0.00 C ATOM 198 CH2 TRP A 53 -2.816 4.251 7.271 1.00 0.00 C ATOM 0 H TRP A 53 -7.877 5.079 11.820 1.00 0.00 H new ATOM 0 HA TRP A 53 -8.319 5.593 8.960 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -7.740 3.035 10.501 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -7.652 3.263 8.766 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -5.873 4.848 11.897 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -3.395 5.267 11.288 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -6.052 3.329 7.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.774 5.038 8.964 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -4.062 3.450 5.736 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -1.951 4.294 6.626 1.00 0.00 H new ATOM 209 N PHE A 54 -10.286 3.864 8.772 1.00 0.00 N ATOM 210 CA PHE A 54 -11.645 3.384 8.620 1.00 0.00 C ATOM 211 C PHE A 54 -11.639 1.879 8.617 1.00 0.00 C ATOM 212 O PHE A 54 -12.668 1.243 8.382 1.00 0.00 O ATOM 213 CB PHE A 54 -12.222 3.899 7.310 1.00 0.00 C ATOM 214 CG PHE A 54 -12.187 5.386 7.208 1.00 0.00 C ATOM 215 CD1 PHE A 54 -12.567 6.165 8.284 1.00 0.00 C ATOM 216 CD2 PHE A 54 -11.790 6.010 6.039 1.00 0.00 C ATOM 217 CE1 PHE A 54 -12.557 7.526 8.203 1.00 0.00 C ATOM 218 CE2 PHE A 54 -11.785 7.374 5.947 1.00 0.00 C ATOM 219 CZ PHE A 54 -12.171 8.141 7.033 1.00 0.00 C ATOM 0 H PHE A 54 -9.676 3.644 7.985 1.00 0.00 H new ATOM 0 HA PHE A 54 -12.258 3.744 9.446 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -11.664 3.469 6.478 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -13.252 3.557 7.213 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -12.876 5.689 9.203 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -11.482 5.415 5.192 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.851 8.121 9.055 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -11.480 7.853 5.028 1.00 0.00 H new ATOM 0 HZ PHE A 54 -12.169 9.219 6.963 1.00 0.00 H new ATOM 246 N GLU A 56 -11.096 -0.752 6.852 1.00 0.00 N ATOM 247 CA GLU A 56 -11.942 -1.482 5.911 1.00 0.00 C ATOM 248 C GLU A 56 -12.113 -2.952 6.271 1.00 0.00 C ATOM 249 O GLU A 56 -13.234 -3.460 6.352 1.00 0.00 O ATOM 250 CB GLU A 56 -11.313 -1.382 4.533 1.00 0.00 C ATOM 251 CG GLU A 56 -11.016 0.052 4.129 1.00 0.00 C ATOM 252 CD GLU A 56 -9.630 0.445 4.536 1.00 0.00 C ATOM 253 OE1 GLU A 56 -8.679 0.097 3.808 1.00 0.00 O ATOM 254 OE2 GLU A 56 -9.496 1.086 5.598 1.00 0.00 O ATOM 0 HA GLU A 56 -12.934 -1.032 5.942 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -10.388 -1.959 4.517 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.982 -1.831 3.799 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.127 0.161 3.050 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.740 0.722 4.593 1.00 0.00 H new ATOM 261 N ASP A 57 -11.001 -3.628 6.469 1.00 0.00 N ATOM 262 CA ASP A 57 -11.016 -5.043 6.803 1.00 0.00 C ATOM 263 C ASP A 57 -10.295 -5.274 8.123 1.00 0.00 C ATOM 264 O ASP A 57 -9.162 -4.829 8.291 1.00 0.00 O ATOM 265 CB ASP A 57 -10.384 -5.848 5.659 1.00 0.00 C ATOM 266 CG ASP A 57 -9.537 -7.013 6.129 1.00 0.00 C ATOM 267 OD1 ASP A 57 -10.054 -7.875 6.863 1.00 0.00 O ATOM 268 OD2 ASP A 57 -8.353 -7.081 5.738 1.00 0.00 O ATOM 0 H ASP A 57 -10.068 -3.220 6.405 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.044 -5.384 6.926 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.176 -6.224 5.011 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -9.767 -5.182 5.056 1.00 0.00 H new ATOM 415 N GLU B 7 3.450 -9.466 -12.626 1.00 0.00 N ATOM 416 CA GLU B 7 2.133 -8.874 -12.743 1.00 0.00 C ATOM 417 C GLU B 7 2.087 -7.561 -11.969 1.00 0.00 C ATOM 418 O GLU B 7 2.007 -7.554 -10.741 1.00 0.00 O ATOM 419 CB GLU B 7 1.075 -9.860 -12.216 1.00 0.00 C ATOM 420 CG GLU B 7 -0.364 -9.350 -12.249 1.00 0.00 C ATOM 421 CD GLU B 7 -1.351 -10.340 -11.628 1.00 0.00 C ATOM 422 OE1 GLU B 7 -1.580 -11.408 -12.225 1.00 0.00 O ATOM 423 OE2 GLU B 7 -1.890 -10.053 -10.531 1.00 0.00 O ATOM 0 HA GLU B 7 1.917 -8.662 -13.790 1.00 0.00 H new ATOM 0 HB2 GLU B 7 1.132 -10.777 -12.803 1.00 0.00 H new ATOM 0 HB3 GLU B 7 1.327 -10.123 -11.189 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -0.422 -8.401 -11.716 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -0.653 -9.153 -13.282 1.00 0.00 H new ATOM 430 N VAL B 8 2.191 -6.453 -12.689 1.00 0.00 N ATOM 431 CA VAL B 8 2.121 -5.143 -12.079 1.00 0.00 C ATOM 432 C VAL B 8 0.673 -4.716 -12.119 1.00 0.00 C ATOM 433 O VAL B 8 0.071 -4.629 -13.189 1.00 0.00 O ATOM 434 CB VAL B 8 3.021 -4.106 -12.788 1.00 0.00 C ATOM 435 CG1 VAL B 8 2.781 -2.710 -12.230 1.00 0.00 C ATOM 436 CG2 VAL B 8 4.487 -4.490 -12.641 1.00 0.00 C ATOM 0 H VAL B 8 2.325 -6.441 -13.700 1.00 0.00 H new ATOM 0 HA VAL B 8 2.491 -5.198 -11.055 1.00 0.00 H new ATOM 0 HB VAL B 8 2.765 -4.099 -13.847 1.00 0.00 H new ATOM 0 HG11 VAL B 8 3.425 -1.997 -12.744 1.00 0.00 H new ATOM 0 HG12 VAL B 8 1.738 -2.432 -12.382 1.00 0.00 H new ATOM 0 HG13 VAL B 8 3.007 -2.700 -11.164 1.00 0.00 H new ATOM 0 HG21 VAL B 8 5.109 -3.751 -13.145 1.00 0.00 H new ATOM 0 HG22 VAL B 8 4.750 -4.525 -11.584 1.00 0.00 H new ATOM 0 HG23 VAL B 8 4.653 -5.470 -13.089 1.00 0.00 H new ATOM 446 N LEU B 9 0.122 -4.458 -10.960 1.00 0.00 N ATOM 447 CA LEU B 9 -1.273 -4.123 -10.851 1.00 0.00 C ATOM 448 C LEU B 9 -1.483 -2.638 -10.663 1.00 0.00 C ATOM 449 O LEU B 9 -2.436 -2.068 -11.191 1.00 0.00 O ATOM 450 CB LEU B 9 -1.868 -4.913 -9.690 1.00 0.00 C ATOM 451 CG LEU B 9 -1.911 -6.424 -9.909 1.00 0.00 C ATOM 452 CD1 LEU B 9 -2.188 -7.145 -8.607 1.00 0.00 C ATOM 453 CD2 LEU B 9 -2.963 -6.781 -10.944 1.00 0.00 C ATOM 0 H LEU B 9 0.624 -4.474 -10.072 1.00 0.00 H new ATOM 0 HA LEU B 9 -1.778 -4.389 -11.780 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -1.288 -4.705 -8.791 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -2.881 -4.556 -9.506 1.00 0.00 H new ATOM 0 HG LEU B 9 -0.937 -6.743 -10.279 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -2.215 -8.220 -8.785 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -1.400 -6.915 -7.889 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -3.149 -6.819 -8.208 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -2.980 -7.861 -11.088 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -3.941 -6.445 -10.599 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -2.724 -6.293 -11.889 1.00 0.00 H new ATOM 465 N LEU B 10 -0.598 -2.003 -9.919 1.00 0.00 N ATOM 466 CA LEU B 10 -0.740 -0.586 -9.682 1.00 0.00 C ATOM 467 C LEU B 10 0.592 0.097 -9.456 1.00 0.00 C ATOM 468 O LEU B 10 1.504 -0.465 -8.849 1.00 0.00 O ATOM 469 CB LEU B 10 -1.599 -0.354 -8.455 1.00 0.00 C ATOM 470 CG LEU B 10 -2.419 0.939 -8.475 1.00 0.00 C ATOM 471 CD1 LEU B 10 -3.457 0.908 -9.588 1.00 0.00 C ATOM 472 CD2 LEU B 10 -3.086 1.170 -7.133 1.00 0.00 C ATOM 0 H LEU B 10 0.211 -2.439 -9.477 1.00 0.00 H new ATOM 0 HA LEU B 10 -1.202 -0.163 -10.574 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.281 -1.197 -8.342 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -0.955 -0.345 -7.576 1.00 0.00 H new ATOM 0 HG LEU B 10 -1.737 1.767 -8.669 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -4.026 1.838 -9.581 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -2.956 0.797 -10.550 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -4.133 0.067 -9.432 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.664 2.094 -7.168 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -3.750 0.335 -6.908 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -2.325 1.247 -6.357 1.00 0.00 H new ATOM 484 N ILE B 11 0.686 1.309 -9.963 1.00 0.00 N ATOM 485 CA ILE B 11 1.862 2.136 -9.782 1.00 0.00 C ATOM 486 C ILE B 11 1.433 3.473 -9.199 1.00 0.00 C ATOM 487 O ILE B 11 0.842 4.313 -9.886 1.00 0.00 O ATOM 488 CB ILE B 11 2.630 2.363 -11.105 1.00 0.00 C ATOM 489 CG1 ILE B 11 3.076 1.020 -11.697 1.00 0.00 C ATOM 490 CG2 ILE B 11 3.831 3.275 -10.874 1.00 0.00 C ATOM 491 CD1 ILE B 11 3.928 1.148 -12.942 1.00 0.00 C ATOM 0 H ILE B 11 -0.052 1.749 -10.513 1.00 0.00 H new ATOM 0 HA ILE B 11 2.540 1.619 -9.104 1.00 0.00 H new ATOM 0 HB ILE B 11 1.963 2.850 -11.817 1.00 0.00 H new ATOM 0 HG12 ILE B 11 3.636 0.470 -10.941 1.00 0.00 H new ATOM 0 HG13 ILE B 11 2.192 0.427 -11.933 1.00 0.00 H new ATOM 0 HG21 ILE B 11 4.361 3.425 -11.815 1.00 0.00 H new ATOM 0 HG22 ILE B 11 3.489 4.237 -10.493 1.00 0.00 H new ATOM 0 HG23 ILE B 11 4.503 2.816 -10.149 1.00 0.00 H new ATOM 0 HD11 ILE B 11 4.202 0.155 -13.299 1.00 0.00 H new ATOM 0 HD12 ILE B 11 3.365 1.669 -13.716 1.00 0.00 H new ATOM 0 HD13 ILE B 11 4.831 1.712 -12.708 1.00 0.00 H new ATOM 503 N VAL B 12 1.732 3.658 -7.928 1.00 0.00 N ATOM 504 CA VAL B 12 1.389 4.875 -7.222 1.00 0.00 C ATOM 505 C VAL B 12 2.610 5.768 -7.153 1.00 0.00 C ATOM 506 O VAL B 12 3.731 5.281 -7.014 1.00 0.00 O ATOM 507 CB VAL B 12 0.882 4.578 -5.800 1.00 0.00 C ATOM 508 CG1 VAL B 12 0.112 5.763 -5.252 1.00 0.00 C ATOM 509 CG2 VAL B 12 0.017 3.326 -5.786 1.00 0.00 C ATOM 0 H VAL B 12 2.220 2.968 -7.356 1.00 0.00 H new ATOM 0 HA VAL B 12 0.586 5.374 -7.765 1.00 0.00 H new ATOM 0 HB VAL B 12 1.746 4.402 -5.160 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -0.239 5.535 -4.246 1.00 0.00 H new ATOM 0 HG12 VAL B 12 0.763 6.637 -5.220 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -0.743 5.971 -5.896 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -0.330 3.135 -4.771 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.841 3.469 -6.442 1.00 0.00 H new ATOM 0 HG23 VAL B 12 0.602 2.475 -6.135 1.00 0.00 H new ATOM 519 N LYS B 13 2.403 7.065 -7.252 1.00 0.00 N ATOM 520 CA LYS B 13 3.516 7.999 -7.242 1.00 0.00 C ATOM 521 C LYS B 13 3.511 8.880 -6.012 1.00 0.00 C ATOM 522 O LYS B 13 2.514 8.966 -5.298 1.00 0.00 O ATOM 523 CB LYS B 13 3.498 8.877 -8.492 1.00 0.00 C ATOM 524 CG LYS B 13 3.921 8.151 -9.761 1.00 0.00 C ATOM 525 CD LYS B 13 2.875 7.146 -10.236 1.00 0.00 C ATOM 526 CE LYS B 13 1.561 7.816 -10.621 1.00 0.00 C ATOM 527 NZ LYS B 13 0.382 7.041 -10.142 1.00 0.00 N ATOM 0 H LYS B 13 1.483 7.496 -7.340 1.00 0.00 H new ATOM 0 HA LYS B 13 4.426 7.400 -7.228 1.00 0.00 H new ATOM 0 HB2 LYS B 13 2.493 9.275 -8.630 1.00 0.00 H new ATOM 0 HB3 LYS B 13 4.159 9.729 -8.335 1.00 0.00 H new ATOM 0 HG2 LYS B 13 4.103 8.881 -10.550 1.00 0.00 H new ATOM 0 HG3 LYS B 13 4.863 7.633 -9.582 1.00 0.00 H new ATOM 0 HD2 LYS B 13 3.265 6.597 -11.093 1.00 0.00 H new ATOM 0 HD3 LYS B 13 2.691 6.417 -9.447 1.00 0.00 H new ATOM 0 HE2 LYS B 13 1.529 8.822 -10.202 1.00 0.00 H new ATOM 0 HE3 LYS B 13 1.511 7.921 -11.705 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -0.463 7.329 -10.676 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 0.553 6.025 -10.285 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 0.232 7.227 -9.130 1.00 0.00 H new ATOM 541 N LYS B 14 4.641 9.549 -5.808 1.00 0.00 N ATOM 542 CA LYS B 14 4.846 10.445 -4.682 1.00 0.00 C ATOM 543 C LYS B 14 4.417 9.806 -3.365 1.00 0.00 C ATOM 544 O LYS B 14 3.815 10.457 -2.511 1.00 0.00 O ATOM 545 CB LYS B 14 4.106 11.751 -4.942 1.00 0.00 C ATOM 546 CG LYS B 14 4.956 12.786 -5.665 1.00 0.00 C ATOM 547 CD LYS B 14 4.108 13.879 -6.299 1.00 0.00 C ATOM 548 CE LYS B 14 3.693 14.931 -5.283 1.00 0.00 C ATOM 549 NZ LYS B 14 2.756 15.928 -5.874 1.00 0.00 N ATOM 0 H LYS B 14 5.448 9.482 -6.429 1.00 0.00 H new ATOM 0 HA LYS B 14 5.911 10.654 -4.586 1.00 0.00 H new ATOM 0 HB2 LYS B 14 3.214 11.545 -5.534 1.00 0.00 H new ATOM 0 HB3 LYS B 14 3.769 12.166 -3.992 1.00 0.00 H new ATOM 0 HG2 LYS B 14 5.658 13.234 -4.961 1.00 0.00 H new ATOM 0 HG3 LYS B 14 5.548 12.294 -6.436 1.00 0.00 H new ATOM 0 HD2 LYS B 14 4.669 14.353 -7.105 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.219 13.436 -6.747 1.00 0.00 H new ATOM 0 HE2 LYS B 14 3.218 14.446 -4.430 1.00 0.00 H new ATOM 0 HE3 LYS B 14 4.579 15.443 -4.906 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 2.693 16.758 -5.250 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 3.106 16.222 -6.808 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 1.814 15.500 -5.977 1.00 0.00 H new ATOM 563 N VAL B 15 4.732 8.527 -3.211 1.00 0.00 N ATOM 564 CA VAL B 15 4.393 7.807 -1.988 1.00 0.00 C ATOM 565 C VAL B 15 5.589 7.782 -1.049 1.00 0.00 C ATOM 566 O VAL B 15 6.690 7.409 -1.445 1.00 0.00 O ATOM 567 CB VAL B 15 3.914 6.360 -2.257 1.00 0.00 C ATOM 568 CG1 VAL B 15 3.395 5.725 -0.974 1.00 0.00 C ATOM 569 CG2 VAL B 15 2.839 6.358 -3.326 1.00 0.00 C ATOM 0 H VAL B 15 5.219 7.968 -3.912 1.00 0.00 H new ATOM 0 HA VAL B 15 3.563 8.343 -1.527 1.00 0.00 H new ATOM 0 HB VAL B 15 4.759 5.770 -2.612 1.00 0.00 H new ATOM 0 HG11 VAL B 15 3.062 4.708 -1.180 1.00 0.00 H new ATOM 0 HG12 VAL B 15 4.192 5.702 -0.231 1.00 0.00 H new ATOM 0 HG13 VAL B 15 2.559 6.310 -0.591 1.00 0.00 H new ATOM 0 HG21 VAL B 15 2.509 5.335 -3.508 1.00 0.00 H new ATOM 0 HG22 VAL B 15 1.993 6.959 -2.992 1.00 0.00 H new ATOM 0 HG23 VAL B 15 3.241 6.779 -4.248 1.00 0.00 H new ATOM 579 N ARG B 16 5.366 8.185 0.189 1.00 0.00 N ATOM 580 CA ARG B 16 6.410 8.227 1.183 1.00 0.00 C ATOM 581 C ARG B 16 6.159 7.203 2.277 1.00 0.00 C ATOM 582 O ARG B 16 5.027 6.784 2.509 1.00 0.00 O ATOM 583 CB ARG B 16 6.494 9.625 1.797 1.00 0.00 C ATOM 584 CG ARG B 16 7.168 10.643 0.898 1.00 0.00 C ATOM 585 CD ARG B 16 6.957 12.063 1.399 1.00 0.00 C ATOM 586 NE ARG B 16 7.826 13.026 0.717 1.00 0.00 N ATOM 587 CZ ARG B 16 9.164 13.009 0.766 1.00 0.00 C ATOM 588 NH1 ARG B 16 9.803 12.145 1.546 1.00 0.00 N ATOM 589 NH2 ARG B 16 9.868 13.871 0.045 1.00 0.00 N ATOM 0 H ARG B 16 4.454 8.491 0.528 1.00 0.00 H new ATOM 0 HA ARG B 16 7.354 7.988 0.694 1.00 0.00 H new ATOM 0 HB2 ARG B 16 5.487 9.971 2.032 1.00 0.00 H new ATOM 0 HB3 ARG B 16 7.039 9.567 2.739 1.00 0.00 H new ATOM 0 HG2 ARG B 16 8.236 10.431 0.845 1.00 0.00 H new ATOM 0 HG3 ARG B 16 6.774 10.552 -0.114 1.00 0.00 H new ATOM 0 HD2 ARG B 16 5.915 12.348 1.251 1.00 0.00 H new ATOM 0 HD3 ARG B 16 7.148 12.100 2.472 1.00 0.00 H new ATOM 0 HE ARG B 16 7.381 13.760 0.167 1.00 0.00 H new ATOM 0 HH11 ARG B 16 9.274 11.485 2.116 1.00 0.00 H new ATOM 0 HH12 ARG B 16 10.823 12.141 1.575 1.00 0.00 H new ATOM 0 HH21 ARG B 16 9.390 14.549 -0.549 1.00 0.00 H new ATOM 0 HH22 ARG B 16 10.887 13.856 0.084 1.00 0.00 H new ATOM 603 N GLN B 17 7.230 6.793 2.921 1.00 0.00 N ATOM 604 CA GLN B 17 7.162 5.847 4.017 1.00 0.00 C ATOM 605 C GLN B 17 8.343 6.109 4.935 1.00 0.00 C ATOM 606 O GLN B 17 9.488 5.869 4.551 1.00 0.00 O ATOM 607 CB GLN B 17 7.177 4.406 3.493 1.00 0.00 C ATOM 608 CG GLN B 17 6.466 3.420 4.409 1.00 0.00 C ATOM 609 CD GLN B 17 7.360 2.888 5.512 1.00 0.00 C ATOM 610 OE1 GLN B 17 6.933 2.734 6.655 1.00 0.00 O ATOM 611 NE2 GLN B 17 8.608 2.597 5.177 1.00 0.00 N ATOM 0 H GLN B 17 8.175 7.106 2.700 1.00 0.00 H new ATOM 0 HA GLN B 17 6.230 5.975 4.568 1.00 0.00 H new ATOM 0 HB2 GLN B 17 6.707 4.380 2.510 1.00 0.00 H new ATOM 0 HB3 GLN B 17 8.211 4.087 3.361 1.00 0.00 H new ATOM 0 HG2 GLN B 17 5.598 3.907 4.855 1.00 0.00 H new ATOM 0 HG3 GLN B 17 6.093 2.585 3.816 1.00 0.00 H new ATOM 0 HE21 GLN B 17 8.925 2.739 4.218 1.00 0.00 H new ATOM 0 HE22 GLN B 17 9.252 2.231 5.878 1.00 0.00 H new ATOM 620 N LYS B 18 8.061 6.633 6.126 1.00 0.00 N ATOM 621 CA LYS B 18 9.098 6.980 7.099 1.00 0.00 C ATOM 622 C LYS B 18 9.908 8.146 6.554 1.00 0.00 C ATOM 623 O LYS B 18 11.139 8.143 6.592 1.00 0.00 O ATOM 624 CB LYS B 18 10.019 5.789 7.415 1.00 0.00 C ATOM 625 CG LYS B 18 9.290 4.525 7.856 1.00 0.00 C ATOM 626 CD LYS B 18 8.896 4.561 9.328 1.00 0.00 C ATOM 627 CE LYS B 18 7.555 5.251 9.549 1.00 0.00 C ATOM 628 NZ LYS B 18 6.534 4.844 8.543 1.00 0.00 N ATOM 0 H LYS B 18 7.112 6.829 6.444 1.00 0.00 H new ATOM 0 HA LYS B 18 8.614 7.260 8.035 1.00 0.00 H new ATOM 0 HB2 LYS B 18 10.613 5.561 6.530 1.00 0.00 H new ATOM 0 HB3 LYS B 18 10.716 6.083 8.199 1.00 0.00 H new ATOM 0 HG2 LYS B 18 8.395 4.394 7.247 1.00 0.00 H new ATOM 0 HG3 LYS B 18 9.928 3.660 7.675 1.00 0.00 H new ATOM 0 HD2 LYS B 18 8.847 3.543 9.714 1.00 0.00 H new ATOM 0 HD3 LYS B 18 9.668 5.080 9.896 1.00 0.00 H new ATOM 0 HE2 LYS B 18 7.189 5.017 10.549 1.00 0.00 H new ATOM 0 HE3 LYS B 18 7.694 6.331 9.505 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 5.597 4.811 8.993 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 6.520 5.533 7.764 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 6.771 3.903 8.169 1.00 0.00 H new ATOM 642 N LYS B 19 9.182 9.133 6.022 1.00 0.00 N ATOM 643 CA LYS B 19 9.777 10.338 5.442 1.00 0.00 C ATOM 644 C LYS B 19 10.667 10.004 4.245 1.00 0.00 C ATOM 645 O LYS B 19 11.568 10.763 3.900 1.00 0.00 O ATOM 646 CB LYS B 19 10.574 11.122 6.496 1.00 0.00 C ATOM 647 CG LYS B 19 9.707 11.989 7.401 1.00 0.00 C ATOM 648 CD LYS B 19 8.845 11.143 8.322 1.00 0.00 C ATOM 649 CE LYS B 19 7.527 11.825 8.643 1.00 0.00 C ATOM 650 NZ LYS B 19 6.615 10.927 9.398 1.00 0.00 N ATOM 0 H LYS B 19 8.163 9.118 5.982 1.00 0.00 H new ATOM 0 HA LYS B 19 8.958 10.965 5.089 1.00 0.00 H new ATOM 0 HB2 LYS B 19 11.136 10.419 7.111 1.00 0.00 H new ATOM 0 HB3 LYS B 19 11.303 11.756 5.990 1.00 0.00 H new ATOM 0 HG2 LYS B 19 10.342 12.645 7.996 1.00 0.00 H new ATOM 0 HG3 LYS B 19 9.070 12.630 6.791 1.00 0.00 H new ATOM 0 HD2 LYS B 19 8.651 10.178 7.854 1.00 0.00 H new ATOM 0 HD3 LYS B 19 9.387 10.945 9.247 1.00 0.00 H new ATOM 0 HE2 LYS B 19 7.716 12.726 9.226 1.00 0.00 H new ATOM 0 HE3 LYS B 19 7.045 12.139 7.717 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 5.725 11.426 9.600 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 6.415 10.078 8.831 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 7.065 10.647 10.293 1.00 0.00 H new ATOM 664 N GLN B 20 10.374 8.891 3.583 1.00 0.00 N ATOM 665 CA GLN B 20 11.156 8.461 2.432 1.00 0.00 C ATOM 666 C GLN B 20 10.315 8.591 1.177 1.00 0.00 C ATOM 667 O GLN B 20 9.254 7.981 1.083 1.00 0.00 O ATOM 668 CB GLN B 20 11.607 7.011 2.609 1.00 0.00 C ATOM 669 CG GLN B 20 13.074 6.775 2.286 1.00 0.00 C ATOM 670 CD GLN B 20 14.010 7.340 3.338 1.00 0.00 C ATOM 671 OE1 GLN B 20 13.562 7.366 4.585 1.00 0.00 O flip ATOM 672 NE2 GLN B 20 15.130 7.742 3.034 1.00 0.00 N flip ATOM 0 H GLN B 20 9.601 8.271 3.824 1.00 0.00 H new ATOM 0 HA GLN B 20 12.041 9.091 2.345 1.00 0.00 H new ATOM 0 HB2 GLN B 20 11.419 6.706 3.638 1.00 0.00 H new ATOM 0 HB3 GLN B 20 10.998 6.371 1.970 1.00 0.00 H new ATOM 0 HG2 GLN B 20 13.251 5.704 2.187 1.00 0.00 H new ATOM 0 HG3 GLN B 20 13.305 7.227 1.321 1.00 0.00 H new ATOM 0 HE21 GLN B 20 15.439 7.705 2.063 1.00 0.00 H new ATOM 0 HE22 GLN B 20 15.751 8.112 3.753 1.00 0.00 H new ATOM 681 N ASP B 21 10.770 9.394 0.232 1.00 0.00 N ATOM 682 CA ASP B 21 10.036 9.604 -1.011 1.00 0.00 C ATOM 683 C ASP B 21 10.319 8.503 -2.019 1.00 0.00 C ATOM 684 O ASP B 21 11.470 8.160 -2.287 1.00 0.00 O ATOM 685 CB ASP B 21 10.351 10.977 -1.623 1.00 0.00 C ATOM 686 CG ASP B 21 11.748 11.476 -1.302 1.00 0.00 C ATOM 687 OD1 ASP B 21 11.975 11.899 -0.142 1.00 0.00 O ATOM 688 OD2 ASP B 21 12.605 11.472 -2.202 1.00 0.00 O ATOM 0 H ASP B 21 11.645 9.914 0.298 1.00 0.00 H new ATOM 0 HA ASP B 21 8.975 9.574 -0.762 1.00 0.00 H new ATOM 0 HB2 ASP B 21 10.234 10.919 -2.705 1.00 0.00 H new ATOM 0 HB3 ASP B 21 9.622 11.703 -1.262 1.00 0.00 H new ATOM 693 N GLY B 22 9.250 7.929 -2.550 1.00 0.00 N ATOM 694 CA GLY B 22 9.381 6.885 -3.530 1.00 0.00 C ATOM 695 C GLY B 22 8.087 6.637 -4.264 1.00 0.00 C ATOM 696 O GLY B 22 7.376 7.576 -4.634 1.00 0.00 O ATOM 0 H GLY B 22 8.289 8.174 -2.313 1.00 0.00 H new ATOM 0 HA2 GLY B 22 10.158 7.154 -4.245 1.00 0.00 H new ATOM 0 HA3 GLY B 22 9.703 5.966 -3.040 1.00 0.00 H new ATOM 700 N ALA B 23 7.753 5.373 -4.442 1.00 0.00 N ATOM 701 CA ALA B 23 6.551 5.002 -5.151 1.00 0.00 C ATOM 702 C ALA B 23 6.018 3.679 -4.636 1.00 0.00 C ATOM 703 O ALA B 23 6.790 2.791 -4.270 1.00 0.00 O ATOM 704 CB ALA B 23 6.839 4.930 -6.636 1.00 0.00 C ATOM 0 H ALA B 23 8.303 4.584 -4.102 1.00 0.00 H new ATOM 0 HA ALA B 23 5.785 5.759 -4.980 1.00 0.00 H new ATOM 0 HB1 ALA B 23 5.931 4.650 -7.170 1.00 0.00 H new ATOM 0 HB2 ALA B 23 7.181 5.903 -6.988 1.00 0.00 H new ATOM 0 HB3 ALA B 23 7.613 4.185 -6.821 1.00 0.00 H new ATOM 710 N LEU B 24 4.702 3.547 -4.630 1.00 0.00 N ATOM 711 CA LEU B 24 4.055 2.345 -4.134 1.00 0.00 C ATOM 712 C LEU B 24 3.625 1.496 -5.329 1.00 0.00 C ATOM 713 O LEU B 24 2.959 1.984 -6.240 1.00 0.00 O ATOM 714 CB LEU B 24 2.843 2.746 -3.280 1.00 0.00 C ATOM 715 CG LEU B 24 2.484 1.827 -2.104 1.00 0.00 C ATOM 716 CD1 LEU B 24 1.102 2.170 -1.572 1.00 0.00 C ATOM 717 CD2 LEU B 24 2.550 0.363 -2.489 1.00 0.00 C ATOM 0 H LEU B 24 4.058 4.263 -4.966 1.00 0.00 H new ATOM 0 HA LEU B 24 4.737 1.763 -3.514 1.00 0.00 H new ATOM 0 HB2 LEU B 24 3.023 3.746 -2.886 1.00 0.00 H new ATOM 0 HB3 LEU B 24 1.974 2.813 -3.935 1.00 0.00 H new ATOM 0 HG LEU B 24 3.223 1.993 -1.320 1.00 0.00 H new ATOM 0 HD11 LEU B 24 0.859 1.511 -0.738 1.00 0.00 H new ATOM 0 HD12 LEU B 24 1.090 3.205 -1.232 1.00 0.00 H new ATOM 0 HD13 LEU B 24 0.365 2.040 -2.364 1.00 0.00 H new ATOM 0 HD21 LEU B 24 2.289 -0.252 -1.628 1.00 0.00 H new ATOM 0 HD22 LEU B 24 1.848 0.168 -3.300 1.00 0.00 H new ATOM 0 HD23 LEU B 24 3.560 0.118 -2.817 1.00 0.00 H new ATOM 729 N TYR B 25 4.021 0.238 -5.334 1.00 0.00 N ATOM 730 CA TYR B 25 3.690 -0.660 -6.437 1.00 0.00 C ATOM 731 C TYR B 25 2.887 -1.873 -5.968 1.00 0.00 C ATOM 732 O TYR B 25 3.206 -2.489 -4.953 1.00 0.00 O ATOM 733 CB TYR B 25 4.964 -1.159 -7.132 1.00 0.00 C ATOM 734 CG TYR B 25 5.854 -0.067 -7.686 1.00 0.00 C ATOM 735 CD1 TYR B 25 6.804 0.555 -6.887 1.00 0.00 C ATOM 736 CD2 TYR B 25 5.753 0.328 -9.013 1.00 0.00 C ATOM 737 CE1 TYR B 25 7.626 1.543 -7.392 1.00 0.00 C ATOM 738 CE2 TYR B 25 6.571 1.317 -9.527 1.00 0.00 C ATOM 739 CZ TYR B 25 7.505 1.921 -8.712 1.00 0.00 C ATOM 740 OH TYR B 25 8.324 2.906 -9.221 1.00 0.00 O ATOM 0 H TYR B 25 4.572 -0.190 -4.590 1.00 0.00 H new ATOM 0 HA TYR B 25 3.082 -0.084 -7.134 1.00 0.00 H new ATOM 0 HB2 TYR B 25 5.540 -1.752 -6.422 1.00 0.00 H new ATOM 0 HB3 TYR B 25 4.680 -1.825 -7.947 1.00 0.00 H new ATOM 0 HD1 TYR B 25 6.902 0.261 -5.852 1.00 0.00 H new ATOM 0 HD2 TYR B 25 5.024 -0.145 -9.654 1.00 0.00 H new ATOM 0 HE1 TYR B 25 8.359 2.017 -6.756 1.00 0.00 H new ATOM 0 HE2 TYR B 25 6.479 1.615 -10.561 1.00 0.00 H new ATOM 0 HH TYR B 25 8.111 3.052 -10.166 1.00 0.00 H new ATOM 750 N LEU B 26 1.841 -2.204 -6.717 1.00 0.00 N ATOM 751 CA LEU B 26 1.017 -3.370 -6.417 1.00 0.00 C ATOM 752 C LEU B 26 1.370 -4.478 -7.393 1.00 0.00 C ATOM 753 O LEU B 26 1.439 -4.236 -8.602 1.00 0.00 O ATOM 754 CB LEU B 26 -0.477 -3.055 -6.535 1.00 0.00 C ATOM 755 CG LEU B 26 -1.026 -2.038 -5.536 1.00 0.00 C ATOM 756 CD1 LEU B 26 -2.543 -2.103 -5.494 1.00 0.00 C ATOM 757 CD2 LEU B 26 -0.456 -2.277 -4.158 1.00 0.00 C ATOM 0 H LEU B 26 1.543 -1.679 -7.539 1.00 0.00 H new ATOM 0 HA LEU B 26 1.215 -3.675 -5.390 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -0.672 -2.688 -7.542 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -1.035 -3.985 -6.421 1.00 0.00 H new ATOM 0 HG LEU B 26 -0.725 -1.043 -5.864 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -2.919 -1.372 -4.778 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.944 -1.881 -6.483 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.856 -3.102 -5.191 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -0.861 -1.541 -3.464 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -0.724 -3.279 -3.822 1.00 0.00 H new ATOM 0 HD23 LEU B 26 0.630 -2.184 -4.192 1.00 0.00 H new ATOM 769 N MET B 27 1.601 -5.680 -6.886 1.00 0.00 N ATOM 770 CA MET B 27 1.958 -6.802 -7.743 1.00 0.00 C ATOM 771 C MET B 27 0.996 -7.968 -7.557 1.00 0.00 C ATOM 772 O MET B 27 0.185 -7.965 -6.631 1.00 0.00 O ATOM 773 CB MET B 27 3.397 -7.250 -7.473 1.00 0.00 C ATOM 774 CG MET B 27 4.429 -6.164 -7.726 1.00 0.00 C ATOM 775 SD MET B 27 5.941 -6.410 -6.776 1.00 0.00 S ATOM 776 CE MET B 27 6.862 -4.942 -7.222 1.00 0.00 C ATOM 0 H MET B 27 1.548 -5.903 -5.892 1.00 0.00 H new ATOM 0 HA MET B 27 1.884 -6.466 -8.777 1.00 0.00 H new ATOM 0 HB2 MET B 27 3.477 -7.582 -6.438 1.00 0.00 H new ATOM 0 HB3 MET B 27 3.625 -8.110 -8.102 1.00 0.00 H new ATOM 0 HG2 MET B 27 4.672 -6.139 -8.788 1.00 0.00 H new ATOM 0 HG3 MET B 27 4.000 -5.194 -7.474 1.00 0.00 H new ATOM 0 HE1 MET B 27 7.769 -4.884 -6.620 1.00 0.00 H new ATOM 0 HE2 MET B 27 7.130 -4.987 -8.278 1.00 0.00 H new ATOM 0 HE3 MET B 27 6.249 -4.059 -7.040 1.00 0.00 H new ATOM 786 N ALA B 28 1.177 -8.994 -8.387 1.00 0.00 N ATOM 787 CA ALA B 28 0.306 -10.175 -8.429 1.00 0.00 C ATOM 788 C ALA B 28 -0.089 -10.713 -7.064 1.00 0.00 C ATOM 789 O ALA B 28 -1.277 -10.899 -6.792 1.00 0.00 O ATOM 790 CB ALA B 28 0.994 -11.286 -9.205 1.00 0.00 C ATOM 0 H ALA B 28 1.943 -9.032 -9.060 1.00 0.00 H new ATOM 0 HA ALA B 28 -0.613 -9.847 -8.916 1.00 0.00 H new ATOM 0 HB1 ALA B 28 0.347 -12.163 -9.236 1.00 0.00 H new ATOM 0 HB2 ALA B 28 1.197 -10.948 -10.221 1.00 0.00 H new ATOM 0 HB3 ALA B 28 1.933 -11.545 -8.715 1.00 0.00 H new ATOM 796 N GLU B 29 0.888 -10.964 -6.213 1.00 0.00 N ATOM 797 CA GLU B 29 0.611 -11.504 -4.894 1.00 0.00 C ATOM 798 C GLU B 29 1.304 -10.710 -3.803 1.00 0.00 C ATOM 799 O GLU B 29 1.346 -11.149 -2.653 1.00 0.00 O ATOM 800 CB GLU B 29 1.043 -12.978 -4.793 1.00 0.00 C ATOM 801 CG GLU B 29 1.841 -13.502 -5.985 1.00 0.00 C ATOM 802 CD GLU B 29 3.176 -12.803 -6.169 1.00 0.00 C ATOM 803 OE1 GLU B 29 3.728 -12.283 -5.179 1.00 0.00 O ATOM 804 OE2 GLU B 29 3.667 -12.755 -7.314 1.00 0.00 O ATOM 0 H GLU B 29 1.876 -10.804 -6.409 1.00 0.00 H new ATOM 0 HA GLU B 29 -0.467 -11.432 -4.750 1.00 0.00 H new ATOM 0 HB2 GLU B 29 1.642 -13.104 -3.891 1.00 0.00 H new ATOM 0 HB3 GLU B 29 0.152 -13.594 -4.673 1.00 0.00 H new ATOM 0 HG2 GLU B 29 2.013 -14.571 -5.856 1.00 0.00 H new ATOM 0 HG3 GLU B 29 1.248 -13.382 -6.892 1.00 0.00 H new ATOM 811 N ARG B 30 1.797 -9.523 -4.121 1.00 0.00 N ATOM 812 CA ARG B 30 2.509 -8.761 -3.108 1.00 0.00 C ATOM 813 C ARG B 30 2.502 -7.267 -3.376 1.00 0.00 C ATOM 814 O ARG B 30 2.394 -6.820 -4.514 1.00 0.00 O ATOM 815 CB ARG B 30 3.957 -9.271 -2.994 1.00 0.00 C ATOM 816 CG ARG B 30 4.936 -8.610 -3.956 1.00 0.00 C ATOM 817 CD ARG B 30 6.005 -9.582 -4.435 1.00 0.00 C ATOM 818 NE ARG B 30 5.546 -10.386 -5.565 1.00 0.00 N ATOM 819 CZ ARG B 30 5.965 -10.219 -6.821 1.00 0.00 C ATOM 820 NH1 ARG B 30 6.901 -9.324 -7.104 1.00 0.00 N ATOM 821 NH2 ARG B 30 5.453 -10.957 -7.795 1.00 0.00 N ATOM 0 H ARG B 30 1.722 -9.079 -5.036 1.00 0.00 H new ATOM 0 HA ARG B 30 1.983 -8.913 -2.166 1.00 0.00 H new ATOM 0 HB2 ARG B 30 4.306 -9.112 -1.974 1.00 0.00 H new ATOM 0 HB3 ARG B 30 3.965 -10.347 -3.169 1.00 0.00 H new ATOM 0 HG2 ARG B 30 4.392 -8.217 -4.815 1.00 0.00 H new ATOM 0 HG3 ARG B 30 5.411 -7.761 -3.464 1.00 0.00 H new ATOM 0 HD2 ARG B 30 6.897 -9.026 -4.724 1.00 0.00 H new ATOM 0 HD3 ARG B 30 6.291 -10.240 -3.614 1.00 0.00 H new ATOM 0 HE ARG B 30 4.863 -11.121 -5.383 1.00 0.00 H new ATOM 0 HH11 ARG B 30 7.306 -8.757 -6.359 1.00 0.00 H new ATOM 0 HH12 ARG B 30 7.216 -9.202 -8.067 1.00 0.00 H new ATOM 0 HH21 ARG B 30 4.738 -11.653 -7.585 1.00 0.00 H new ATOM 0 HH22 ARG B 30 5.774 -10.829 -8.755 1.00 0.00 H new ATOM 835 N ILE B 31 2.595 -6.512 -2.299 1.00 0.00 N ATOM 836 CA ILE B 31 2.654 -5.067 -2.359 1.00 0.00 C ATOM 837 C ILE B 31 4.093 -4.655 -2.088 1.00 0.00 C ATOM 838 O ILE B 31 4.739 -5.204 -1.190 1.00 0.00 O ATOM 839 CB ILE B 31 1.694 -4.411 -1.333 1.00 0.00 C ATOM 840 CG1 ILE B 31 1.832 -2.888 -1.355 1.00 0.00 C ATOM 841 CG2 ILE B 31 1.942 -4.950 0.069 1.00 0.00 C ATOM 842 CD1 ILE B 31 0.770 -2.172 -0.546 1.00 0.00 C ATOM 0 H ILE B 31 2.632 -6.888 -1.352 1.00 0.00 H new ATOM 0 HA ILE B 31 2.334 -4.727 -3.344 1.00 0.00 H new ATOM 0 HB ILE B 31 0.674 -4.667 -1.619 1.00 0.00 H new ATOM 0 HG12 ILE B 31 2.815 -2.615 -0.971 1.00 0.00 H new ATOM 0 HG13 ILE B 31 1.785 -2.542 -2.388 1.00 0.00 H new ATOM 0 HG21 ILE B 31 1.256 -4.473 0.769 1.00 0.00 H new ATOM 0 HG22 ILE B 31 1.780 -6.028 0.078 1.00 0.00 H new ATOM 0 HG23 ILE B 31 2.969 -4.735 0.365 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.930 -1.096 -0.607 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -0.216 -2.415 -0.943 1.00 0.00 H new ATOM 0 HD13 ILE B 31 0.830 -2.489 0.495 1.00 0.00 H new ATOM 854 N ALA B 32 4.615 -3.730 -2.869 1.00 0.00 N ATOM 855 CA ALA B 32 5.992 -3.313 -2.697 1.00 0.00 C ATOM 856 C ALA B 32 6.151 -1.807 -2.780 1.00 0.00 C ATOM 857 O ALA B 32 5.329 -1.111 -3.372 1.00 0.00 O ATOM 858 CB ALA B 32 6.869 -3.993 -3.737 1.00 0.00 C ATOM 0 H ALA B 32 4.113 -3.257 -3.621 1.00 0.00 H new ATOM 0 HA ALA B 32 6.305 -3.614 -1.697 1.00 0.00 H new ATOM 0 HB1 ALA B 32 7.903 -3.676 -3.604 1.00 0.00 H new ATOM 0 HB2 ALA B 32 6.802 -5.074 -3.618 1.00 0.00 H new ATOM 0 HB3 ALA B 32 6.531 -3.716 -4.735 1.00 0.00 H new ATOM 864 N TRP B 33 7.216 -1.310 -2.178 1.00 0.00 N ATOM 865 CA TRP B 33 7.510 0.108 -2.193 1.00 0.00 C ATOM 866 C TRP B 33 9.008 0.307 -2.391 1.00 0.00 C ATOM 867 O TRP B 33 9.821 -0.468 -1.875 1.00 0.00 O ATOM 868 CB TRP B 33 7.033 0.789 -0.903 1.00 0.00 C ATOM 869 CG TRP B 33 7.198 2.277 -0.940 1.00 0.00 C ATOM 870 CD1 TRP B 33 6.279 3.203 -1.344 1.00 0.00 C ATOM 871 CD2 TRP B 33 8.368 3.010 -0.576 1.00 0.00 C ATOM 872 NE1 TRP B 33 6.819 4.460 -1.273 1.00 0.00 N ATOM 873 CE2 TRP B 33 8.095 4.366 -0.802 1.00 0.00 C ATOM 874 CE3 TRP B 33 9.621 2.647 -0.086 1.00 0.00 C ATOM 875 CZ2 TRP B 33 9.027 5.358 -0.563 1.00 0.00 C ATOM 876 CZ3 TRP B 33 10.548 3.635 0.155 1.00 0.00 C ATOM 877 CH2 TRP B 33 10.249 4.980 -0.086 1.00 0.00 C ATOM 0 H TRP B 33 7.896 -1.875 -1.669 1.00 0.00 H new ATOM 0 HA TRP B 33 6.972 0.572 -3.020 1.00 0.00 H new ATOM 0 HB2 TRP B 33 5.983 0.548 -0.737 1.00 0.00 H new ATOM 0 HB3 TRP B 33 7.590 0.387 -0.057 1.00 0.00 H new ATOM 0 HD1 TRP B 33 5.275 2.978 -1.671 1.00 0.00 H new ATOM 0 HE1 TRP B 33 6.344 5.325 -1.530 1.00 0.00 H new ATOM 0 HE3 TRP B 33 9.860 1.610 0.101 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 8.796 6.397 -0.747 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 11.522 3.368 0.536 1.00 0.00 H new ATOM 0 HH2 TRP B 33 10.998 5.733 0.109 1.00 0.00 H new ATOM 888 N ALA B 34 9.361 1.338 -3.143 1.00 0.00 N ATOM 889 CA ALA B 34 10.750 1.640 -3.432 1.00 0.00 C ATOM 890 C ALA B 34 10.962 3.149 -3.524 1.00 0.00 C ATOM 891 O ALA B 34 10.173 3.851 -4.161 1.00 0.00 O ATOM 892 CB ALA B 34 11.191 0.954 -4.718 1.00 0.00 C ATOM 0 H ALA B 34 8.695 1.984 -3.567 1.00 0.00 H new ATOM 0 HA ALA B 34 11.363 1.258 -2.615 1.00 0.00 H new ATOM 0 HB1 ALA B 34 12.236 1.193 -4.918 1.00 0.00 H new ATOM 0 HB2 ALA B 34 11.079 -0.125 -4.612 1.00 0.00 H new ATOM 0 HB3 ALA B 34 10.574 1.303 -5.546 1.00 0.00 H new ATOM 898 N PRO B 35 12.020 3.663 -2.875 1.00 0.00 N ATOM 899 CA PRO B 35 12.354 5.099 -2.879 1.00 0.00 C ATOM 900 C PRO B 35 12.731 5.570 -4.276 1.00 0.00 C ATOM 901 O PRO B 35 12.970 4.743 -5.148 1.00 0.00 O ATOM 902 CB PRO B 35 13.565 5.184 -1.947 1.00 0.00 C ATOM 903 CG PRO B 35 14.172 3.828 -2.015 1.00 0.00 C ATOM 904 CD PRO B 35 13.014 2.879 -2.118 1.00 0.00 C ATOM 0 HA PRO B 35 11.519 5.725 -2.564 1.00 0.00 H new ATOM 0 HB2 PRO B 35 14.266 5.951 -2.274 1.00 0.00 H new ATOM 0 HB3 PRO B 35 13.268 5.437 -0.929 1.00 0.00 H new ATOM 0 HG2 PRO B 35 14.833 3.736 -2.877 1.00 0.00 H new ATOM 0 HG3 PRO B 35 14.772 3.621 -1.129 1.00 0.00 H new ATOM 0 HD2 PRO B 35 13.288 1.961 -2.638 1.00 0.00 H new ATOM 0 HD3 PRO B 35 12.639 2.589 -1.136 1.00 0.00 H new ATOM 992 N PHE B 41 13.757 -2.873 -4.190 1.00 0.00 N ATOM 993 CA PHE B 41 12.538 -2.680 -3.419 1.00 0.00 C ATOM 994 C PHE B 41 12.830 -2.907 -1.946 1.00 0.00 C ATOM 995 O PHE B 41 13.277 -3.983 -1.552 1.00 0.00 O ATOM 996 CB PHE B 41 11.432 -3.621 -3.897 1.00 0.00 C ATOM 997 CG PHE B 41 10.868 -3.251 -5.239 1.00 0.00 C ATOM 998 CD1 PHE B 41 9.811 -2.362 -5.337 1.00 0.00 C ATOM 999 CD2 PHE B 41 11.399 -3.788 -6.401 1.00 0.00 C ATOM 1000 CE1 PHE B 41 9.292 -2.014 -6.569 1.00 0.00 C ATOM 1001 CE2 PHE B 41 10.884 -3.444 -7.636 1.00 0.00 C ATOM 1002 CZ PHE B 41 9.829 -2.555 -7.720 1.00 0.00 C ATOM 0 HA PHE B 41 12.189 -1.658 -3.564 1.00 0.00 H new ATOM 0 HB2 PHE B 41 11.825 -4.636 -3.945 1.00 0.00 H new ATOM 0 HB3 PHE B 41 10.627 -3.625 -3.162 1.00 0.00 H new ATOM 0 HD1 PHE B 41 9.387 -1.936 -4.440 1.00 0.00 H new ATOM 0 HD2 PHE B 41 12.224 -4.483 -6.341 1.00 0.00 H new ATOM 0 HE1 PHE B 41 8.467 -1.320 -6.632 1.00 0.00 H new ATOM 0 HE2 PHE B 41 11.305 -3.869 -8.535 1.00 0.00 H new ATOM 0 HZ PHE B 41 9.425 -2.284 -8.684 1.00 0.00 H new ATOM 1012 N THR B 42 12.586 -1.890 -1.141 1.00 0.00 N ATOM 1013 CA THR B 42 12.849 -1.961 0.284 1.00 0.00 C ATOM 1014 C THR B 42 11.674 -2.552 1.047 1.00 0.00 C ATOM 1015 O THR B 42 11.810 -2.977 2.193 1.00 0.00 O ATOM 1016 CB THR B 42 13.155 -0.560 0.828 1.00 0.00 C ATOM 1017 OG1 THR B 42 12.177 0.374 0.343 1.00 0.00 O ATOM 1018 CG2 THR B 42 14.537 -0.115 0.388 1.00 0.00 C ATOM 0 H THR B 42 12.203 -0.998 -1.453 1.00 0.00 H new ATOM 0 HA THR B 42 13.709 -2.615 0.427 1.00 0.00 H new ATOM 0 HB THR B 42 13.121 -0.593 1.917 1.00 0.00 H new ATOM 0 HG1 THR B 42 12.312 1.243 0.775 1.00 0.00 H new ATOM 0 HG21 THR B 42 14.741 0.881 0.781 1.00 0.00 H new ATOM 0 HG22 THR B 42 15.282 -0.814 0.767 1.00 0.00 H new ATOM 0 HG23 THR B 42 14.582 -0.091 -0.701 1.00 0.00 H new ATOM 1026 N ILE B 43 10.519 -2.572 0.408 1.00 0.00 N ATOM 1027 CA ILE B 43 9.319 -3.091 1.032 1.00 0.00 C ATOM 1028 C ILE B 43 8.617 -4.083 0.111 1.00 0.00 C ATOM 1029 O ILE B 43 8.361 -3.781 -1.048 1.00 0.00 O ATOM 1030 CB ILE B 43 8.364 -1.930 1.392 1.00 0.00 C ATOM 1031 CG1 ILE B 43 8.847 -1.217 2.656 1.00 0.00 C ATOM 1032 CG2 ILE B 43 6.931 -2.421 1.569 1.00 0.00 C ATOM 1033 CD1 ILE B 43 8.153 0.104 2.906 1.00 0.00 C ATOM 0 H ILE B 43 10.388 -2.234 -0.545 1.00 0.00 H new ATOM 0 HA ILE B 43 9.604 -3.614 1.945 1.00 0.00 H new ATOM 0 HB ILE B 43 8.371 -1.222 0.564 1.00 0.00 H new ATOM 0 HG12 ILE B 43 8.689 -1.870 3.515 1.00 0.00 H new ATOM 0 HG13 ILE B 43 9.921 -1.046 2.579 1.00 0.00 H new ATOM 0 HG21 ILE B 43 6.286 -1.579 1.821 1.00 0.00 H new ATOM 0 HG22 ILE B 43 6.585 -2.877 0.641 1.00 0.00 H new ATOM 0 HG23 ILE B 43 6.895 -3.158 2.371 1.00 0.00 H new ATOM 0 HD11 ILE B 43 8.545 0.554 3.818 1.00 0.00 H new ATOM 0 HD12 ILE B 43 8.332 0.774 2.065 1.00 0.00 H new ATOM 0 HD13 ILE B 43 7.081 -0.063 3.015 1.00 0.00 H new ATOM 1045 N SER B 44 8.359 -5.275 0.632 1.00 0.00 N ATOM 1046 CA SER B 44 7.673 -6.325 -0.108 1.00 0.00 C ATOM 1047 C SER B 44 6.848 -7.157 0.872 1.00 0.00 C ATOM 1048 O SER B 44 7.407 -7.783 1.774 1.00 0.00 O ATOM 1049 CB SER B 44 8.684 -7.210 -0.847 1.00 0.00 C ATOM 1050 OG SER B 44 8.034 -8.200 -1.630 1.00 0.00 O ATOM 0 H SER B 44 8.620 -5.541 1.581 1.00 0.00 H new ATOM 0 HA SER B 44 7.015 -5.878 -0.853 1.00 0.00 H new ATOM 0 HB2 SER B 44 9.311 -6.591 -1.489 1.00 0.00 H new ATOM 0 HB3 SER B 44 9.344 -7.691 -0.125 1.00 0.00 H new ATOM 0 HG SER B 44 8.705 -8.746 -2.090 1.00 0.00 H new ATOM 1056 N HIS B 45 5.532 -7.164 0.707 1.00 0.00 N ATOM 1057 CA HIS B 45 4.654 -7.909 1.597 1.00 0.00 C ATOM 1058 C HIS B 45 3.606 -8.620 0.776 1.00 0.00 C ATOM 1059 O HIS B 45 2.950 -8.005 -0.063 1.00 0.00 O ATOM 1060 CB HIS B 45 3.968 -6.978 2.612 1.00 0.00 C ATOM 1061 CG HIS B 45 4.910 -6.144 3.431 1.00 0.00 C ATOM 1062 ND1 HIS B 45 5.889 -6.665 4.247 1.00 0.00 N ATOM 1063 CD2 HIS B 45 5.014 -4.794 3.539 1.00 0.00 C ATOM 1064 CE1 HIS B 45 6.544 -5.642 4.811 1.00 0.00 C ATOM 1065 NE2 HIS B 45 6.053 -4.485 4.413 1.00 0.00 N ATOM 0 H HIS B 45 5.049 -6.661 -0.037 1.00 0.00 H new ATOM 0 HA HIS B 45 5.254 -8.631 2.151 1.00 0.00 H new ATOM 0 HB2 HIS B 45 3.289 -6.315 2.076 1.00 0.00 H new ATOM 0 HB3 HIS B 45 3.359 -7.582 3.285 1.00 0.00 H new ATOM 0 HD2 HIS B 45 4.390 -4.075 3.028 1.00 0.00 H new ATOM 0 HE1 HIS B 45 7.367 -5.751 5.502 1.00 0.00 H new ATOM 0 HE2 HIS B 45 6.369 -3.555 4.689 1.00 0.00 H new ATOM 1073 N MET B 46 3.452 -9.906 0.997 1.00 0.00 N ATOM 1074 CA MET B 46 2.469 -10.663 0.259 1.00 0.00 C ATOM 1075 C MET B 46 1.094 -10.403 0.840 1.00 0.00 C ATOM 1076 O MET B 46 0.941 -10.238 2.047 1.00 0.00 O ATOM 1077 CB MET B 46 2.795 -12.154 0.286 1.00 0.00 C ATOM 1078 CG MET B 46 3.676 -12.602 -0.869 1.00 0.00 C ATOM 1079 SD MET B 46 3.547 -14.370 -1.200 1.00 0.00 S ATOM 1080 CE MET B 46 4.505 -14.496 -2.708 1.00 0.00 C ATOM 0 H MET B 46 3.990 -10.445 1.676 1.00 0.00 H new ATOM 0 HA MET B 46 2.484 -10.342 -0.783 1.00 0.00 H new ATOM 0 HB2 MET B 46 3.293 -12.392 1.226 1.00 0.00 H new ATOM 0 HB3 MET B 46 1.865 -12.722 0.265 1.00 0.00 H new ATOM 0 HG2 MET B 46 3.401 -12.048 -1.766 1.00 0.00 H new ATOM 0 HG3 MET B 46 4.714 -12.353 -0.646 1.00 0.00 H new ATOM 0 HE1 MET B 46 4.897 -15.508 -2.807 1.00 0.00 H new ATOM 0 HE2 MET B 46 3.869 -14.268 -3.563 1.00 0.00 H new ATOM 0 HE3 MET B 46 5.333 -13.788 -2.673 1.00 0.00 H new ATOM 1090 N TYR B 47 0.105 -10.329 -0.030 1.00 0.00 N ATOM 1091 CA TYR B 47 -1.276 -10.087 0.399 1.00 0.00 C ATOM 1092 C TYR B 47 -1.763 -11.172 1.361 1.00 0.00 C ATOM 1093 O TYR B 47 -2.761 -10.989 2.053 1.00 0.00 O ATOM 1094 CB TYR B 47 -2.223 -9.999 -0.798 1.00 0.00 C ATOM 1095 CG TYR B 47 -1.818 -8.974 -1.834 1.00 0.00 C ATOM 1096 CD1 TYR B 47 -1.495 -7.673 -1.473 1.00 0.00 C ATOM 1097 CD2 TYR B 47 -1.759 -9.311 -3.175 1.00 0.00 C ATOM 1098 CE1 TYR B 47 -1.126 -6.741 -2.422 1.00 0.00 C ATOM 1099 CE2 TYR B 47 -1.391 -8.386 -4.129 1.00 0.00 C ATOM 1100 CZ TYR B 47 -1.074 -7.103 -3.748 1.00 0.00 C ATOM 1101 OH TYR B 47 -0.705 -6.181 -4.700 1.00 0.00 O ATOM 0 H TYR B 47 0.223 -10.432 -1.038 1.00 0.00 H new ATOM 0 HA TYR B 47 -1.281 -9.131 0.922 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -2.281 -10.978 -1.274 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -3.224 -9.760 -0.439 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -1.533 -7.385 -0.433 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -2.006 -10.317 -3.480 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -0.879 -5.732 -2.125 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -1.352 -8.668 -5.171 1.00 0.00 H new ATOM 0 HH TYR B 47 -0.351 -6.647 -5.487 1.00 0.00 H new ATOM 1111 N ALA B 48 -1.059 -12.296 1.399 1.00 0.00 N ATOM 1112 CA ALA B 48 -1.417 -13.391 2.292 1.00 0.00 C ATOM 1113 C ALA B 48 -0.938 -13.100 3.709 1.00 0.00 C ATOM 1114 O ALA B 48 -1.453 -13.658 4.676 1.00 0.00 O ATOM 1115 CB ALA B 48 -0.832 -14.704 1.796 1.00 0.00 C ATOM 0 H ALA B 48 -0.237 -12.474 0.822 1.00 0.00 H new ATOM 0 HA ALA B 48 -2.503 -13.482 2.302 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -1.112 -15.507 2.477 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -1.219 -14.922 0.800 1.00 0.00 H new ATOM 0 HB3 ALA B 48 0.254 -14.626 1.754 1.00 0.00 H new ATOM 1121 N ASP B 49 0.051 -12.215 3.822 1.00 0.00 N ATOM 1122 CA ASP B 49 0.596 -11.836 5.119 1.00 0.00 C ATOM 1123 C ASP B 49 -0.179 -10.654 5.669 1.00 0.00 C ATOM 1124 O ASP B 49 0.053 -10.215 6.793 1.00 0.00 O ATOM 1125 CB ASP B 49 2.082 -11.449 5.036 1.00 0.00 C ATOM 1126 CG ASP B 49 2.884 -12.271 4.046 1.00 0.00 C ATOM 1127 OD1 ASP B 49 2.789 -13.514 4.083 1.00 0.00 O ATOM 1128 OD2 ASP B 49 3.625 -11.663 3.237 1.00 0.00 O ATOM 0 H ASP B 49 0.490 -11.748 3.028 1.00 0.00 H new ATOM 0 HA ASP B 49 0.505 -12.703 5.773 1.00 0.00 H new ATOM 0 HB2 ASP B 49 2.157 -10.397 4.762 1.00 0.00 H new ATOM 0 HB3 ASP B 49 2.529 -11.554 6.025 1.00 0.00 H new ATOM 1133 N ILE B 50 -1.091 -10.134 4.865 1.00 0.00 N ATOM 1134 CA ILE B 50 -1.907 -9.001 5.264 1.00 0.00 C ATOM 1135 C ILE B 50 -3.197 -9.482 5.911 1.00 0.00 C ATOM 1136 O ILE B 50 -4.032 -10.115 5.267 1.00 0.00 O ATOM 1137 CB ILE B 50 -2.243 -8.102 4.065 1.00 0.00 C ATOM 1138 CG1 ILE B 50 -0.966 -7.687 3.331 1.00 0.00 C ATOM 1139 CG2 ILE B 50 -3.021 -6.875 4.520 1.00 0.00 C ATOM 1140 CD1 ILE B 50 -1.227 -6.901 2.066 1.00 0.00 C ATOM 0 H ILE B 50 -1.285 -10.482 3.926 1.00 0.00 H new ATOM 0 HA ILE B 50 -1.331 -8.418 5.983 1.00 0.00 H new ATOM 0 HB ILE B 50 -2.867 -8.668 3.374 1.00 0.00 H new ATOM 0 HG12 ILE B 50 -0.349 -7.088 4.001 1.00 0.00 H new ATOM 0 HG13 ILE B 50 -0.392 -8.580 3.083 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -3.251 -6.249 3.658 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -3.949 -7.189 4.998 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -2.421 -6.307 5.231 1.00 0.00 H new ATOM 0 HD11 ILE B 50 -0.278 -6.640 1.598 1.00 0.00 H new ATOM 0 HD12 ILE B 50 -1.817 -7.505 1.377 1.00 0.00 H new ATOM 0 HD13 ILE B 50 -1.774 -5.990 2.310 1.00 0.00 H new ATOM 1152 N LYS B 51 -3.352 -9.171 7.184 1.00 0.00 N ATOM 1153 CA LYS B 51 -4.520 -9.579 7.943 1.00 0.00 C ATOM 1154 C LYS B 51 -5.626 -8.527 7.875 1.00 0.00 C ATOM 1155 O LYS B 51 -6.807 -8.862 7.950 1.00 0.00 O ATOM 1156 CB LYS B 51 -4.106 -9.840 9.398 1.00 0.00 C ATOM 1157 CG LYS B 51 -5.263 -9.998 10.372 1.00 0.00 C ATOM 1158 CD LYS B 51 -4.864 -9.558 11.772 1.00 0.00 C ATOM 1159 CE LYS B 51 -5.983 -9.794 12.779 1.00 0.00 C ATOM 1160 NZ LYS B 51 -7.151 -8.901 12.542 1.00 0.00 N ATOM 0 H LYS B 51 -2.674 -8.630 7.720 1.00 0.00 H new ATOM 0 HA LYS B 51 -4.921 -10.494 7.508 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -3.496 -10.743 9.431 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -3.476 -9.017 9.735 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -6.113 -9.408 10.030 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -5.585 -11.039 10.393 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -3.973 -10.103 12.084 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -4.603 -8.500 11.760 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -6.306 -10.834 12.724 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -5.602 -9.631 13.787 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -7.242 -8.232 13.333 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -7.011 -8.374 11.656 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -8.017 -9.473 12.471 1.00 0.00 H new ATOM 1174 N CYS B 52 -5.248 -7.256 7.754 1.00 0.00 N ATOM 1175 CA CYS B 52 -6.238 -6.172 7.694 1.00 0.00 C ATOM 1176 C CYS B 52 -5.738 -4.999 6.860 1.00 0.00 C ATOM 1177 O CYS B 52 -4.530 -4.818 6.709 1.00 0.00 O ATOM 1178 CB CYS B 52 -6.557 -5.666 9.105 1.00 0.00 C ATOM 1179 SG CYS B 52 -6.807 -6.971 10.322 1.00 0.00 S ATOM 0 H CYS B 52 -4.277 -6.949 7.696 1.00 0.00 H new ATOM 0 HA CYS B 52 -7.134 -6.581 7.227 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -5.743 -5.023 9.441 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -7.454 -5.048 9.063 1.00 0.00 H new ATOM 0 HG CYS B 52 -5.931 -6.849 11.275 1.00 0.00 H new ATOM 1185 N GLN B 53 -6.658 -4.192 6.329 1.00 0.00 N ATOM 1186 CA GLN B 53 -6.273 -3.033 5.553 1.00 0.00 C ATOM 1187 C GLN B 53 -7.012 -1.818 6.072 1.00 0.00 C ATOM 1188 O GLN B 53 -8.221 -1.870 6.305 1.00 0.00 O ATOM 1189 CB GLN B 53 -6.558 -3.234 4.063 1.00 0.00 C ATOM 1190 CG GLN B 53 -8.015 -3.497 3.733 1.00 0.00 C ATOM 1191 CD GLN B 53 -8.337 -3.188 2.288 1.00 0.00 C ATOM 1192 OE1 GLN B 53 -8.305 -4.067 1.431 1.00 0.00 O ATOM 1193 NE2 GLN B 53 -8.630 -1.930 2.004 1.00 0.00 N ATOM 0 H GLN B 53 -7.665 -4.326 6.426 1.00 0.00 H new ATOM 0 HA GLN B 53 -5.199 -2.885 5.661 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -6.229 -2.348 3.520 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -5.960 -4.070 3.701 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -8.250 -4.541 3.941 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -8.648 -2.892 4.382 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -8.646 -1.230 2.746 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -8.840 -1.660 1.043 1.00 0.00 H new ATOM 1202 N LYS B 54 -6.275 -0.755 6.322 1.00 0.00 N ATOM 1203 CA LYS B 54 -6.869 0.470 6.795 1.00 0.00 C ATOM 1204 C LYS B 54 -6.537 1.605 5.851 1.00 0.00 C ATOM 1205 O LYS B 54 -5.523 1.567 5.147 1.00 0.00 O ATOM 1206 CB LYS B 54 -6.334 0.892 8.151 1.00 0.00 C ATOM 1207 CG LYS B 54 -5.865 -0.190 9.089 1.00 0.00 C ATOM 1208 CD LYS B 54 -5.572 0.454 10.435 1.00 0.00 C ATOM 1209 CE LYS B 54 -5.769 -0.483 11.601 1.00 0.00 C ATOM 1210 NZ LYS B 54 -5.983 0.269 12.867 1.00 0.00 N ATOM 0 H LYS B 54 -5.262 -0.719 6.204 1.00 0.00 H new ATOM 0 HA LYS B 54 -7.940 0.276 6.859 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -5.501 1.575 7.985 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -7.115 1.459 8.658 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -6.628 -0.962 9.193 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -4.972 -0.675 8.696 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -4.544 0.818 10.440 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -6.218 1.322 10.563 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -6.625 -1.130 11.410 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -4.897 -1.130 11.702 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -5.862 -0.373 13.677 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -5.291 1.043 12.932 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -6.945 0.663 12.878 1.00 0.00 H new ATOM 1224 N ILE B 55 -7.366 2.634 5.873 1.00 0.00 N ATOM 1225 CA ILE B 55 -7.116 3.821 5.044 1.00 0.00 C ATOM 1226 C ILE B 55 -7.317 5.140 5.805 1.00 0.00 C ATOM 1227 O ILE B 55 -8.402 5.424 6.309 1.00 0.00 O ATOM 1228 CB ILE B 55 -7.969 3.843 3.760 1.00 0.00 C ATOM 1229 CG1 ILE B 55 -9.460 3.758 4.066 1.00 0.00 C ATOM 1230 CG2 ILE B 55 -7.559 2.717 2.831 1.00 0.00 C ATOM 1231 CD1 ILE B 55 -10.294 3.562 2.824 1.00 0.00 C ATOM 0 H ILE B 55 -8.210 2.681 6.444 1.00 0.00 H new ATOM 0 HA ILE B 55 -6.065 3.741 4.765 1.00 0.00 H new ATOM 0 HB ILE B 55 -7.788 4.797 3.266 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -9.640 2.932 4.755 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -9.776 4.670 4.572 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -8.171 2.748 1.930 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -6.509 2.832 2.561 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -7.701 1.760 3.334 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -11.348 3.508 3.098 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -10.138 4.400 2.145 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -10.000 2.636 2.330 1.00 0.00 H new ATOM 1243 N SER B 56 -6.243 5.935 5.909 1.00 0.00 N ATOM 1244 CA SER B 56 -6.310 7.238 6.569 1.00 0.00 C ATOM 1245 C SER B 56 -6.902 8.272 5.623 1.00 0.00 C ATOM 1246 O SER B 56 -6.340 8.519 4.547 1.00 0.00 O ATOM 1247 CB SER B 56 -4.928 7.706 7.012 1.00 0.00 C ATOM 1248 OG SER B 56 -4.628 7.271 8.322 1.00 0.00 O ATOM 0 H SER B 56 -5.321 5.696 5.544 1.00 0.00 H new ATOM 0 HA SER B 56 -6.943 7.131 7.450 1.00 0.00 H new ATOM 0 HB2 SER B 56 -4.176 7.327 6.321 1.00 0.00 H new ATOM 0 HB3 SER B 56 -4.880 8.794 6.969 1.00 0.00 H new ATOM 0 HG SER B 56 -4.510 6.298 8.325 1.00 0.00 H new ATOM 1254 N PRO B 57 -8.016 8.904 6.044 1.00 0.00 N ATOM 1255 CA PRO B 57 -8.753 9.904 5.254 1.00 0.00 C ATOM 1256 C PRO B 57 -7.949 11.168 4.941 1.00 0.00 C ATOM 1257 O PRO B 57 -6.847 11.364 5.459 1.00 0.00 O ATOM 1258 CB PRO B 57 -9.914 10.297 6.166 1.00 0.00 C ATOM 1259 CG PRO B 57 -9.454 9.950 7.534 1.00 0.00 C ATOM 1260 CD PRO B 57 -8.631 8.712 7.368 1.00 0.00 C ATOM 0 HA PRO B 57 -9.030 9.484 4.287 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -10.141 11.360 6.082 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -10.823 9.756 5.905 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -8.866 10.758 7.969 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -10.298 9.775 8.201 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -7.880 8.617 8.153 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -9.244 7.811 7.403 1.00 0.00 H new ATOM 1268 N GLU B 58 -8.518 12.028 4.101 1.00 0.00 N ATOM 1269 CA GLU B 58 -7.889 13.296 3.763 1.00 0.00 C ATOM 1270 C GLU B 58 -8.281 14.308 4.837 1.00 0.00 C ATOM 1271 O GLU B 58 -9.459 14.624 4.997 1.00 0.00 O ATOM 1272 CB GLU B 58 -8.345 13.780 2.375 1.00 0.00 C ATOM 1273 CG GLU B 58 -7.236 14.415 1.540 1.00 0.00 C ATOM 1274 CD GLU B 58 -7.462 14.272 0.040 1.00 0.00 C ATOM 1275 OE1 GLU B 58 -8.471 14.800 -0.471 1.00 0.00 O ATOM 1276 OE2 GLU B 58 -6.623 13.633 -0.647 1.00 0.00 O ATOM 0 H GLU B 58 -9.415 11.867 3.643 1.00 0.00 H new ATOM 0 HA GLU B 58 -6.806 13.180 3.726 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -8.760 12.935 1.826 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -9.150 14.504 2.501 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -7.161 15.473 1.791 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -6.283 13.956 1.803 1.00 0.00 H new ATOM 1283 N GLY B 59 -7.301 14.784 5.587 1.00 0.00 N ATOM 1284 CA GLY B 59 -7.580 15.732 6.650 1.00 0.00 C ATOM 1285 C GLY B 59 -6.371 15.960 7.530 1.00 0.00 C ATOM 1286 O GLY B 59 -6.139 17.069 8.004 1.00 0.00 O ATOM 0 H GLY B 59 -6.318 14.533 5.481 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -7.899 16.680 6.217 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -8.407 15.365 7.257 1.00 0.00 H new ATOM 1290 N LYS B 60 -5.609 14.895 7.766 1.00 0.00 N ATOM 1291 CA LYS B 60 -4.395 14.995 8.564 1.00 0.00 C ATOM 1292 C LYS B 60 -3.321 15.698 7.744 1.00 0.00 C ATOM 1293 O LYS B 60 -3.558 16.063 6.593 1.00 0.00 O ATOM 1294 CB LYS B 60 -3.901 13.604 8.993 1.00 0.00 C ATOM 1295 CG LYS B 60 -4.458 13.126 10.328 1.00 0.00 C ATOM 1296 CD LYS B 60 -3.450 13.314 11.458 1.00 0.00 C ATOM 1297 CE LYS B 60 -2.569 12.080 11.651 1.00 0.00 C ATOM 1298 NZ LYS B 60 -1.372 12.374 12.480 1.00 0.00 N ATOM 0 H LYS B 60 -5.811 13.958 7.417 1.00 0.00 H new ATOM 0 HA LYS B 60 -4.611 15.567 9.466 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -4.169 12.882 8.221 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -2.813 13.620 9.051 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -5.371 13.675 10.559 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -4.729 12.073 10.253 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -2.821 14.178 11.243 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -3.981 13.529 12.385 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -3.152 11.289 12.123 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -2.253 11.705 10.678 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -0.802 11.510 12.586 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -0.802 13.110 12.017 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -1.673 12.707 13.418 1.00 0.00 H new ATOM 1312 N ALA B 61 -2.141 15.868 8.320 1.00 0.00 N ATOM 1313 CA ALA B 61 -1.044 16.520 7.614 1.00 0.00 C ATOM 1314 C ALA B 61 -0.589 15.662 6.439 1.00 0.00 C ATOM 1315 O ALA B 61 0.138 16.120 5.559 1.00 0.00 O ATOM 1316 CB ALA B 61 0.116 16.786 8.563 1.00 0.00 C ATOM 0 H ALA B 61 -1.917 15.566 9.268 1.00 0.00 H new ATOM 0 HA ALA B 61 -1.397 17.476 7.228 1.00 0.00 H new ATOM 0 HB1 ALA B 61 0.926 17.273 8.020 1.00 0.00 H new ATOM 0 HB2 ALA B 61 -0.218 17.434 9.374 1.00 0.00 H new ATOM 0 HB3 ALA B 61 0.472 15.842 8.976 1.00 0.00 H new ATOM 1322 N LYS B 62 -1.030 14.409 6.443 1.00 0.00 N ATOM 1323 CA LYS B 62 -0.692 13.466 5.399 1.00 0.00 C ATOM 1324 C LYS B 62 -1.751 12.369 5.312 1.00 0.00 C ATOM 1325 O LYS B 62 -2.372 12.008 6.317 1.00 0.00 O ATOM 1326 CB LYS B 62 0.692 12.867 5.659 1.00 0.00 C ATOM 1327 CG LYS B 62 1.094 12.862 7.127 1.00 0.00 C ATOM 1328 CD LYS B 62 2.604 12.889 7.297 1.00 0.00 C ATOM 1329 CE LYS B 62 3.214 11.503 7.166 1.00 0.00 C ATOM 1330 NZ LYS B 62 2.534 10.512 8.034 1.00 0.00 N ATOM 0 H LYS B 62 -1.631 14.025 7.172 1.00 0.00 H new ATOM 0 HA LYS B 62 -0.666 13.990 4.444 1.00 0.00 H new ATOM 0 HB2 LYS B 62 0.711 11.844 5.283 1.00 0.00 H new ATOM 0 HB3 LYS B 62 1.433 13.429 5.091 1.00 0.00 H new ATOM 0 HG2 LYS B 62 0.656 13.726 7.627 1.00 0.00 H new ATOM 0 HG3 LYS B 62 0.689 11.974 7.612 1.00 0.00 H new ATOM 0 HD2 LYS B 62 3.042 13.550 6.549 1.00 0.00 H new ATOM 0 HD3 LYS B 62 2.852 13.304 8.274 1.00 0.00 H new ATOM 0 HE2 LYS B 62 3.154 11.177 6.128 1.00 0.00 H new ATOM 0 HE3 LYS B 62 4.272 11.547 7.425 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 3.208 9.769 8.307 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 2.177 10.986 8.888 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 1.739 10.085 7.517 1.00 0.00 H new ATOM 1344 N ILE B 63 -1.958 11.864 4.106 1.00 0.00 N ATOM 1345 CA ILE B 63 -2.939 10.808 3.848 1.00 0.00 C ATOM 1346 C ILE B 63 -2.231 9.460 3.888 1.00 0.00 C ATOM 1347 O ILE B 63 -1.073 9.372 3.478 1.00 0.00 O ATOM 1348 CB ILE B 63 -3.625 11.018 2.475 1.00 0.00 C ATOM 1349 CG1 ILE B 63 -4.485 12.287 2.494 1.00 0.00 C ATOM 1350 CG2 ILE B 63 -4.475 9.814 2.090 1.00 0.00 C ATOM 1351 CD1 ILE B 63 -3.707 13.572 2.273 1.00 0.00 C ATOM 0 H ILE B 63 -1.453 12.171 3.275 1.00 0.00 H new ATOM 0 HA ILE B 63 -3.714 10.840 4.614 1.00 0.00 H new ATOM 0 HB ILE B 63 -2.841 11.132 1.726 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -5.252 12.204 1.724 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -5.000 12.348 3.452 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -4.943 9.993 1.122 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -3.844 8.927 2.030 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -5.248 9.659 2.843 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -4.390 14.421 2.301 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -2.958 13.683 3.057 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -3.213 13.536 1.302 1.00 0.00 H new ATOM 1363 N GLN B 64 -2.900 8.400 4.352 1.00 0.00 N ATOM 1364 CA GLN B 64 -2.201 7.117 4.458 1.00 0.00 C ATOM 1365 C GLN B 64 -3.048 5.888 4.106 1.00 0.00 C ATOM 1366 O GLN B 64 -4.275 5.935 4.055 1.00 0.00 O ATOM 1367 CB GLN B 64 -1.643 6.926 5.878 1.00 0.00 C ATOM 1368 CG GLN B 64 -0.351 7.668 6.182 1.00 0.00 C ATOM 1369 CD GLN B 64 -0.568 9.070 6.707 1.00 0.00 C ATOM 1370 OE1 GLN B 64 0.278 9.938 6.529 1.00 0.00 O ATOM 1371 NE2 GLN B 64 -1.689 9.300 7.378 1.00 0.00 N ATOM 0 H GLN B 64 -3.876 8.399 4.647 1.00 0.00 H new ATOM 0 HA GLN B 64 -1.405 7.176 3.716 1.00 0.00 H new ATOM 0 HB2 GLN B 64 -2.401 7.246 6.593 1.00 0.00 H new ATOM 0 HB3 GLN B 64 -1.477 5.862 6.044 1.00 0.00 H new ATOM 0 HG2 GLN B 64 0.221 7.099 6.915 1.00 0.00 H new ATOM 0 HG3 GLN B 64 0.252 7.718 5.275 1.00 0.00 H new ATOM 0 HE21 GLN B 64 -2.370 8.551 7.505 1.00 0.00 H new ATOM 0 HE22 GLN B 64 -1.870 10.226 7.766 1.00 0.00 H new ATOM 1380 N LEU B 65 -2.328 4.791 3.865 1.00 0.00 N ATOM 1381 CA LEU B 65 -2.885 3.468 3.567 1.00 0.00 C ATOM 1382 C LEU B 65 -2.061 2.458 4.366 1.00 0.00 C ATOM 1383 O LEU B 65 -0.862 2.368 4.150 1.00 0.00 O ATOM 1384 CB LEU B 65 -2.730 3.127 2.087 1.00 0.00 C ATOM 1385 CG LEU B 65 -3.708 2.088 1.534 1.00 0.00 C ATOM 1386 CD1 LEU B 65 -4.927 2.754 0.952 1.00 0.00 C ATOM 1387 CD2 LEU B 65 -3.021 1.210 0.509 1.00 0.00 C ATOM 0 H LEU B 65 -1.308 4.798 3.872 1.00 0.00 H new ATOM 0 HA LEU B 65 -3.945 3.449 3.820 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -2.840 4.045 1.509 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -1.715 2.766 1.922 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.040 1.454 2.356 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -5.607 1.995 0.566 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -5.431 3.332 1.727 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -4.627 3.418 0.142 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -3.730 0.476 0.125 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -2.656 1.827 -0.312 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -2.182 0.694 0.976 1.00 0.00 H new ATOM 1399 N GLN B 66 -2.651 1.698 5.274 1.00 0.00 N ATOM 1400 CA GLN B 66 -1.843 0.779 6.071 1.00 0.00 C ATOM 1401 C GLN B 66 -2.386 -0.632 6.064 1.00 0.00 C ATOM 1402 O GLN B 66 -3.586 -0.860 5.930 1.00 0.00 O ATOM 1403 CB GLN B 66 -1.684 1.265 7.516 1.00 0.00 C ATOM 1404 CG GLN B 66 -2.756 0.765 8.461 1.00 0.00 C ATOM 1405 CD GLN B 66 -2.311 0.751 9.907 1.00 0.00 C ATOM 1406 OE1 GLN B 66 -1.662 -0.189 10.352 1.00 0.00 O ATOM 1407 NE2 GLN B 66 -2.689 1.776 10.656 1.00 0.00 N ATOM 0 H GLN B 66 -3.651 1.693 5.477 1.00 0.00 H new ATOM 0 HA GLN B 66 -0.862 0.763 5.595 1.00 0.00 H new ATOM 0 HB2 GLN B 66 -0.710 0.948 7.889 1.00 0.00 H new ATOM 0 HB3 GLN B 66 -1.689 2.355 7.523 1.00 0.00 H new ATOM 0 HG2 GLN B 66 -3.640 1.396 8.365 1.00 0.00 H new ATOM 0 HG3 GLN B 66 -3.050 -0.243 8.167 1.00 0.00 H new ATOM 0 HE21 GLN B 66 -3.228 2.537 10.244 1.00 0.00 H new ATOM 0 HE22 GLN B 66 -2.441 1.804 11.645 1.00 0.00 H new ATOM 1416 N LEU B 67 -1.475 -1.573 6.212 1.00 0.00 N ATOM 1417 CA LEU B 67 -1.818 -2.975 6.231 1.00 0.00 C ATOM 1418 C LEU B 67 -1.386 -3.615 7.539 1.00 0.00 C ATOM 1419 O LEU B 67 -0.228 -3.509 7.939 1.00 0.00 O ATOM 1420 CB LEU B 67 -1.142 -3.680 5.060 1.00 0.00 C ATOM 1421 CG LEU B 67 -1.306 -2.978 3.716 1.00 0.00 C ATOM 1422 CD1 LEU B 67 -0.247 -3.449 2.736 1.00 0.00 C ATOM 1423 CD2 LEU B 67 -2.701 -3.213 3.157 1.00 0.00 C ATOM 0 H LEU B 67 -0.479 -1.385 6.322 1.00 0.00 H new ATOM 0 HA LEU B 67 -2.900 -3.073 6.141 1.00 0.00 H new ATOM 0 HB2 LEU B 67 -0.078 -3.778 5.277 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -1.545 -4.690 4.979 1.00 0.00 H new ATOM 0 HG LEU B 67 -1.176 -1.907 3.869 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -0.380 -2.937 1.783 1.00 0.00 H new ATOM 0 HD12 LEU B 67 0.743 -3.224 3.134 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -0.342 -4.525 2.587 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -2.799 -2.704 2.198 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -2.862 -4.282 3.019 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -3.443 -2.821 3.853 1.00 0.00 H new ATOM 1435 N VAL B 68 -2.332 -4.247 8.210 1.00 0.00 N ATOM 1436 CA VAL B 68 -2.055 -4.946 9.455 1.00 0.00 C ATOM 1437 C VAL B 68 -1.693 -6.368 9.101 1.00 0.00 C ATOM 1438 O VAL B 68 -2.558 -7.158 8.740 1.00 0.00 O ATOM 1439 CB VAL B 68 -3.260 -4.941 10.418 1.00 0.00 C ATOM 1440 CG1 VAL B 68 -2.857 -5.478 11.784 1.00 0.00 C ATOM 1441 CG2 VAL B 68 -3.847 -3.542 10.541 1.00 0.00 C ATOM 0 H VAL B 68 -3.306 -4.291 7.912 1.00 0.00 H new ATOM 0 HA VAL B 68 -1.242 -4.437 9.973 1.00 0.00 H new ATOM 0 HB VAL B 68 -4.028 -5.596 10.006 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -3.721 -5.466 12.449 1.00 0.00 H new ATOM 0 HG12 VAL B 68 -2.493 -6.500 11.680 1.00 0.00 H new ATOM 0 HG13 VAL B 68 -2.068 -4.853 12.203 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -4.695 -3.562 11.225 1.00 0.00 H new ATOM 0 HG22 VAL B 68 -3.087 -2.861 10.925 1.00 0.00 H new ATOM 0 HG23 VAL B 68 -4.179 -3.199 9.561 1.00 0.00 H new ATOM 1451 N LEU B 69 -0.420 -6.687 9.181 1.00 0.00 N ATOM 1452 CA LEU B 69 0.040 -8.005 8.797 1.00 0.00 C ATOM 1453 C LEU B 69 -0.159 -9.037 9.900 1.00 0.00 C ATOM 1454 O LEU B 69 -0.303 -8.697 11.074 1.00 0.00 O ATOM 1455 CB LEU B 69 1.503 -7.955 8.373 1.00 0.00 C ATOM 1456 CG LEU B 69 1.960 -6.632 7.753 1.00 0.00 C ATOM 1457 CD1 LEU B 69 3.466 -6.627 7.552 1.00 0.00 C ATOM 1458 CD2 LEU B 69 1.250 -6.377 6.431 1.00 0.00 C ATOM 0 H LEU B 69 0.312 -6.056 9.507 1.00 0.00 H new ATOM 0 HA LEU B 69 -0.569 -8.321 7.950 1.00 0.00 H new ATOM 0 HB2 LEU B 69 2.124 -8.162 9.244 1.00 0.00 H new ATOM 0 HB3 LEU B 69 1.684 -8.755 7.655 1.00 0.00 H new ATOM 0 HG LEU B 69 1.698 -5.829 8.443 1.00 0.00 H new ATOM 0 HD11 LEU B 69 3.771 -5.678 7.110 1.00 0.00 H new ATOM 0 HD12 LEU B 69 3.962 -6.755 8.514 1.00 0.00 H new ATOM 0 HD13 LEU B 69 3.747 -7.444 6.887 1.00 0.00 H new ATOM 0 HD21 LEU B 69 1.592 -5.431 6.011 1.00 0.00 H new ATOM 0 HD22 LEU B 69 1.475 -7.185 5.735 1.00 0.00 H new ATOM 0 HD23 LEU B 69 0.174 -6.331 6.599 1.00 0.00 H new ATOM 1470 N HIS B 70 -0.163 -10.304 9.493 1.00 0.00 N ATOM 1471 CA HIS B 70 -0.338 -11.435 10.409 1.00 0.00 C ATOM 1472 C HIS B 70 0.763 -11.477 11.464 1.00 0.00 C ATOM 1473 O HIS B 70 0.590 -12.065 12.529 1.00 0.00 O ATOM 1474 CB HIS B 70 -0.337 -12.761 9.638 1.00 0.00 C ATOM 1475 CG HIS B 70 -1.510 -12.943 8.725 1.00 0.00 C ATOM 1476 ND1 HIS B 70 -2.080 -12.076 7.859 1.00 0.00 N flip ATOM 1477 CD2 HIS B 70 -2.231 -14.110 8.616 1.00 0.00 C flip ATOM 1478 CE1 HIS B 70 -3.143 -12.694 7.218 1.00 0.00 C flip ATOM 1479 NE2 HIS B 70 -3.190 -13.911 7.703 1.00 0.00 N flip ATOM 0 H HIS B 70 -0.045 -10.579 8.518 1.00 0.00 H new ATOM 0 HA HIS B 70 -1.298 -11.298 10.906 1.00 0.00 H new ATOM 0 HB2 HIS B 70 0.579 -12.826 9.051 1.00 0.00 H new ATOM 0 HB3 HIS B 70 -0.317 -13.584 10.353 1.00 0.00 H new ATOM 0 HD1 HIS B 70 -1.775 -11.115 7.701 1.00 0.00 H new ATOM 0 HD2 HIS B 70 -2.055 -15.022 9.167 1.00 0.00 H new ATOM 0 HE1 HIS B 70 -3.796 -12.263 6.474 1.00 0.00 H new ATOM 1487 N ALA B 71 1.893 -10.853 11.160 1.00 0.00 N ATOM 1488 CA ALA B 71 3.023 -10.826 12.079 1.00 0.00 C ATOM 1489 C ALA B 71 2.825 -9.780 13.173 1.00 0.00 C ATOM 1490 O ALA B 71 3.642 -9.663 14.085 1.00 0.00 O ATOM 1491 CB ALA B 71 4.312 -10.559 11.318 1.00 0.00 C ATOM 0 H ALA B 71 2.052 -10.358 10.282 1.00 0.00 H new ATOM 0 HA ALA B 71 3.090 -11.802 12.560 1.00 0.00 H new ATOM 0 HB1 ALA B 71 5.149 -10.541 12.016 1.00 0.00 H new ATOM 0 HB2 ALA B 71 4.470 -11.347 10.582 1.00 0.00 H new ATOM 0 HB3 ALA B 71 4.242 -9.597 10.810 1.00 0.00 H new ATOM 1497 N GLY B 72 1.743 -9.017 13.073 1.00 0.00 N ATOM 1498 CA GLY B 72 1.464 -7.992 14.060 1.00 0.00 C ATOM 1499 C GLY B 72 2.023 -6.646 13.653 1.00 0.00 C ATOM 1500 O GLY B 72 1.706 -5.623 14.258 1.00 0.00 O ATOM 0 H GLY B 72 1.053 -9.090 12.325 1.00 0.00 H new ATOM 0 HA2 GLY B 72 0.386 -7.909 14.202 1.00 0.00 H new ATOM 0 HA3 GLY B 72 1.890 -8.287 15.019 1.00 0.00 H new ATOM 1504 N ASP B 73 2.859 -6.656 12.624 1.00 0.00 N ATOM 1505 CA ASP B 73 3.473 -5.438 12.114 1.00 0.00 C ATOM 1506 C ASP B 73 2.474 -4.662 11.264 1.00 0.00 C ATOM 1507 O ASP B 73 1.549 -5.248 10.689 1.00 0.00 O ATOM 1508 CB ASP B 73 4.722 -5.777 11.296 1.00 0.00 C ATOM 1509 CG ASP B 73 5.361 -4.552 10.671 1.00 0.00 C ATOM 1510 OD1 ASP B 73 5.744 -3.634 11.425 1.00 0.00 O ATOM 1511 OD2 ASP B 73 5.470 -4.508 9.429 1.00 0.00 O ATOM 0 H ASP B 73 3.129 -7.502 12.122 1.00 0.00 H new ATOM 0 HA ASP B 73 3.770 -4.814 12.957 1.00 0.00 H new ATOM 0 HB2 ASP B 73 5.449 -6.273 11.939 1.00 0.00 H new ATOM 0 HB3 ASP B 73 4.456 -6.484 10.510 1.00 0.00 H new ATOM 1516 N THR B 74 2.653 -3.353 11.189 1.00 0.00 N ATOM 1517 CA THR B 74 1.758 -2.509 10.421 1.00 0.00 C ATOM 1518 C THR B 74 2.542 -1.585 9.498 1.00 0.00 C ATOM 1519 O THR B 74 3.490 -0.922 9.923 1.00 0.00 O ATOM 1520 CB THR B 74 0.879 -1.656 11.357 1.00 0.00 C ATOM 1521 OG1 THR B 74 1.703 -0.995 12.327 1.00 0.00 O ATOM 1522 CG2 THR B 74 -0.160 -2.511 12.068 1.00 0.00 C ATOM 0 H THR B 74 3.412 -2.853 11.652 1.00 0.00 H new ATOM 0 HA THR B 74 1.124 -3.162 9.821 1.00 0.00 H new ATOM 0 HB THR B 74 0.357 -0.916 10.751 1.00 0.00 H new ATOM 0 HG1 THR B 74 2.506 -0.643 11.889 1.00 0.00 H new ATOM 0 HG21 THR B 74 -0.764 -1.881 12.721 1.00 0.00 H new ATOM 0 HG22 THR B 74 -0.803 -2.991 11.330 1.00 0.00 H new ATOM 0 HG23 THR B 74 0.342 -3.274 12.663 1.00 0.00 H new ATOM 1530 N THR B 75 2.130 -1.528 8.245 1.00 0.00 N ATOM 1531 CA THR B 75 2.790 -0.683 7.267 1.00 0.00 C ATOM 1532 C THR B 75 1.869 0.452 6.821 1.00 0.00 C ATOM 1533 O THR B 75 0.996 0.244 5.982 1.00 0.00 O ATOM 1534 CB THR B 75 3.197 -1.515 6.036 1.00 0.00 C ATOM 1535 OG1 THR B 75 3.514 -2.856 6.439 1.00 0.00 O ATOM 1536 CG2 THR B 75 4.394 -0.894 5.330 1.00 0.00 C ATOM 0 H THR B 75 1.339 -2.058 7.880 1.00 0.00 H new ATOM 0 HA THR B 75 3.678 -0.258 7.734 1.00 0.00 H new ATOM 0 HB THR B 75 2.358 -1.531 5.340 1.00 0.00 H new ATOM 0 HG1 THR B 75 3.771 -3.382 5.653 1.00 0.00 H new ATOM 0 HG21 THR B 75 4.661 -1.501 4.465 1.00 0.00 H new ATOM 0 HG22 THR B 75 4.140 0.114 5.002 1.00 0.00 H new ATOM 0 HG23 THR B 75 5.239 -0.850 6.017 1.00 0.00 H new ATOM 1544 N ASN B 76 2.050 1.650 7.385 1.00 0.00 N ATOM 1545 CA ASN B 76 1.219 2.790 7.013 1.00 0.00 C ATOM 1546 C ASN B 76 1.936 3.580 5.917 1.00 0.00 C ATOM 1547 O ASN B 76 3.015 4.126 6.137 1.00 0.00 O ATOM 1548 CB ASN B 76 0.886 3.717 8.217 1.00 0.00 C ATOM 1549 CG ASN B 76 0.844 3.016 9.576 1.00 0.00 C ATOM 1550 OD1 ASN B 76 1.723 2.225 9.914 1.00 0.00 O ATOM 1551 ND2 ASN B 76 -0.164 3.332 10.383 1.00 0.00 N ATOM 0 H ASN B 76 2.757 1.851 8.092 1.00 0.00 H new ATOM 0 HA ASN B 76 0.265 2.407 6.651 1.00 0.00 H new ATOM 0 HB2 ASN B 76 1.627 4.515 8.259 1.00 0.00 H new ATOM 0 HB3 ASN B 76 -0.080 4.189 8.038 1.00 0.00 H new ATOM 0 HD21 ASN B 76 -0.224 2.915 11.312 1.00 0.00 H new ATOM 0 HD22 ASN B 76 -0.878 3.992 10.073 1.00 0.00 H new ATOM 1558 N PHE B 77 1.329 3.614 4.739 1.00 0.00 N ATOM 1559 CA PHE B 77 1.897 4.296 3.572 1.00 0.00 C ATOM 1560 C PHE B 77 1.410 5.734 3.481 1.00 0.00 C ATOM 1561 O PHE B 77 0.215 5.987 3.548 1.00 0.00 O ATOM 1562 CB PHE B 77 1.527 3.549 2.290 1.00 0.00 C ATOM 1563 CG PHE B 77 2.463 2.425 1.962 1.00 0.00 C ATOM 1564 CD1 PHE B 77 3.800 2.678 1.708 1.00 0.00 C ATOM 1565 CD2 PHE B 77 2.008 1.118 1.903 1.00 0.00 C ATOM 1566 CE1 PHE B 77 4.667 1.651 1.402 1.00 0.00 C ATOM 1567 CE2 PHE B 77 2.872 0.085 1.595 1.00 0.00 C ATOM 1568 CZ PHE B 77 4.203 0.352 1.344 1.00 0.00 C ATOM 0 H PHE B 77 0.428 3.171 4.560 1.00 0.00 H new ATOM 0 HA PHE B 77 2.981 4.305 3.689 1.00 0.00 H new ATOM 0 HB2 PHE B 77 0.516 3.153 2.389 1.00 0.00 H new ATOM 0 HB3 PHE B 77 1.513 4.254 1.459 1.00 0.00 H new ATOM 0 HD1 PHE B 77 4.168 3.692 1.750 1.00 0.00 H new ATOM 0 HD2 PHE B 77 0.968 0.904 2.100 1.00 0.00 H new ATOM 0 HE1 PHE B 77 5.708 1.862 1.208 1.00 0.00 H new ATOM 0 HE2 PHE B 77 2.507 -0.930 1.551 1.00 0.00 H new ATOM 0 HZ PHE B 77 4.880 -0.454 1.103 1.00 0.00 H new ATOM 1578 N HIS B 78 2.338 6.657 3.292 1.00 0.00 N ATOM 1579 CA HIS B 78 2.027 8.077 3.211 1.00 0.00 C ATOM 1580 C HIS B 78 1.923 8.550 1.759 1.00 0.00 C ATOM 1581 O HIS B 78 2.895 8.513 1.009 1.00 0.00 O ATOM 1582 CB HIS B 78 3.119 8.847 3.977 1.00 0.00 C ATOM 1583 CG HIS B 78 3.175 10.335 3.752 1.00 0.00 C ATOM 1584 ND1 HIS B 78 4.278 11.102 4.063 1.00 0.00 N ATOM 1585 CD2 HIS B 78 2.260 11.196 3.238 1.00 0.00 C ATOM 1586 CE1 HIS B 78 4.008 12.370 3.733 1.00 0.00 C ATOM 1587 NE2 HIS B 78 2.796 12.482 3.229 1.00 0.00 N ATOM 0 H HIS B 78 3.330 6.444 3.190 1.00 0.00 H new ATOM 0 HA HIS B 78 1.053 8.267 3.662 1.00 0.00 H new ATOM 0 HB2 HIS B 78 2.979 8.668 5.043 1.00 0.00 H new ATOM 0 HB3 HIS B 78 4.087 8.425 3.708 1.00 0.00 H new ATOM 0 HD2 HIS B 78 1.273 10.927 2.891 1.00 0.00 H new ATOM 0 HE1 HIS B 78 4.694 13.194 3.863 1.00 0.00 H new ATOM 0 HE2 HIS B 78 2.343 13.335 2.900 1.00 0.00 H new ATOM 1595 N PHE B 79 0.738 8.996 1.369 1.00 0.00 N ATOM 1596 CA PHE B 79 0.526 9.511 0.023 1.00 0.00 C ATOM 1597 C PHE B 79 0.779 11.011 0.030 1.00 0.00 C ATOM 1598 O PHE B 79 -0.119 11.799 0.325 1.00 0.00 O ATOM 1599 CB PHE B 79 -0.895 9.226 -0.478 1.00 0.00 C ATOM 1600 CG PHE B 79 -1.165 7.787 -0.814 1.00 0.00 C ATOM 1601 CD1 PHE B 79 -1.114 6.801 0.160 1.00 0.00 C ATOM 1602 CD2 PHE B 79 -1.489 7.426 -2.108 1.00 0.00 C ATOM 1603 CE1 PHE B 79 -1.384 5.484 -0.156 1.00 0.00 C ATOM 1604 CE2 PHE B 79 -1.755 6.111 -2.429 1.00 0.00 C ATOM 1605 CZ PHE B 79 -1.706 5.139 -1.453 1.00 0.00 C ATOM 0 H PHE B 79 -0.091 9.012 1.964 1.00 0.00 H new ATOM 0 HA PHE B 79 1.217 9.009 -0.654 1.00 0.00 H new ATOM 0 HB2 PHE B 79 -1.605 9.547 0.284 1.00 0.00 H new ATOM 0 HB3 PHE B 79 -1.082 9.833 -1.364 1.00 0.00 H new ATOM 0 HD1 PHE B 79 -0.861 7.066 1.176 1.00 0.00 H new ATOM 0 HD2 PHE B 79 -1.535 8.183 -2.877 1.00 0.00 H new ATOM 0 HE1 PHE B 79 -1.343 4.725 0.611 1.00 0.00 H new ATOM 0 HE2 PHE B 79 -2.002 5.843 -3.446 1.00 0.00 H new ATOM 0 HZ PHE B 79 -1.919 4.110 -1.703 1.00 0.00 H new ATOM 1615 N SER B 80 2.002 11.403 -0.283 1.00 0.00 N ATOM 1616 CA SER B 80 2.373 12.810 -0.277 1.00 0.00 C ATOM 1617 C SER B 80 2.050 13.500 -1.597 1.00 0.00 C ATOM 1618 O SER B 80 2.806 14.353 -2.066 1.00 0.00 O ATOM 1619 CB SER B 80 3.858 12.952 0.041 1.00 0.00 C ATOM 1620 OG SER B 80 4.598 11.861 -0.481 1.00 0.00 O ATOM 0 H SER B 80 2.756 10.768 -0.545 1.00 0.00 H new ATOM 0 HA SER B 80 1.782 13.302 0.495 1.00 0.00 H new ATOM 0 HB2 SER B 80 4.235 13.885 -0.378 1.00 0.00 H new ATOM 0 HB3 SER B 80 3.998 13.007 1.121 1.00 0.00 H new ATOM 0 HG SER B 80 4.367 11.730 -1.424 1.00 0.00 H new ATOM 1626 N ASN B 81 0.934 13.137 -2.204 1.00 0.00 N ATOM 1627 CA ASN B 81 0.530 13.758 -3.441 1.00 0.00 C ATOM 1628 C ASN B 81 -0.706 14.590 -3.157 1.00 0.00 C ATOM 1629 O ASN B 81 -1.811 14.093 -3.224 1.00 0.00 O ATOM 1630 CB ASN B 81 0.244 12.695 -4.505 1.00 0.00 C ATOM 1631 CG ASN B 81 0.538 13.182 -5.911 1.00 0.00 C ATOM 1632 OD1 ASN B 81 0.563 14.385 -6.176 1.00 0.00 O ATOM 1633 ND2 ASN B 81 0.764 12.250 -6.825 1.00 0.00 N ATOM 0 H ASN B 81 0.298 12.418 -1.858 1.00 0.00 H new ATOM 0 HA ASN B 81 1.326 14.394 -3.827 1.00 0.00 H new ATOM 0 HB2 ASN B 81 0.844 11.809 -4.299 1.00 0.00 H new ATOM 0 HB3 ASN B 81 -0.802 12.394 -4.440 1.00 0.00 H new ATOM 0 HD21 ASN B 81 0.968 12.519 -7.788 1.00 0.00 H new ATOM 0 HD22 ASN B 81 0.734 11.264 -6.566 1.00 0.00 H new ATOM 1640 N GLU B 82 -0.496 15.854 -2.822 1.00 0.00 N ATOM 1641 CA GLU B 82 -1.583 16.783 -2.482 1.00 0.00 C ATOM 1642 C GLU B 82 -2.794 16.640 -3.405 1.00 0.00 C ATOM 1643 O GLU B 82 -3.931 16.498 -2.949 1.00 0.00 O ATOM 1644 CB GLU B 82 -1.091 18.240 -2.536 1.00 0.00 C ATOM 1645 CG GLU B 82 0.404 18.407 -2.796 1.00 0.00 C ATOM 1646 CD GLU B 82 0.826 18.014 -4.205 1.00 0.00 C ATOM 1647 OE1 GLU B 82 -0.054 17.748 -5.054 1.00 0.00 O ATOM 1648 OE2 GLU B 82 2.046 17.931 -4.452 1.00 0.00 O ATOM 0 H GLU B 82 0.433 16.273 -2.776 1.00 0.00 H new ATOM 0 HA GLU B 82 -1.894 16.525 -1.470 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -1.641 18.765 -3.317 1.00 0.00 H new ATOM 0 HB3 GLU B 82 -1.337 18.726 -1.592 1.00 0.00 H new ATOM 0 HG2 GLU B 82 0.681 19.446 -2.620 1.00 0.00 H new ATOM 0 HG3 GLU B 82 0.959 17.803 -2.078 1.00 0.00 H new ATOM 1655 N SER B 83 -2.534 16.658 -4.696 1.00 0.00 N ATOM 1656 CA SER B 83 -3.584 16.578 -5.693 1.00 0.00 C ATOM 1657 C SER B 83 -4.213 15.181 -5.829 1.00 0.00 C ATOM 1658 O SER B 83 -5.399 15.071 -6.145 1.00 0.00 O ATOM 1659 CB SER B 83 -3.020 17.027 -7.041 1.00 0.00 C ATOM 1660 OG SER B 83 -2.267 18.223 -6.903 1.00 0.00 O ATOM 0 H SER B 83 -1.593 16.728 -5.084 1.00 0.00 H new ATOM 0 HA SER B 83 -4.388 17.235 -5.361 1.00 0.00 H new ATOM 0 HB2 SER B 83 -2.389 16.241 -7.455 1.00 0.00 H new ATOM 0 HB3 SER B 83 -3.836 17.186 -7.746 1.00 0.00 H new ATOM 0 HG SER B 83 -1.439 18.034 -6.414 1.00 0.00 H new ATOM 1666 N THR B 84 -3.457 14.114 -5.572 1.00 0.00 N ATOM 1667 CA THR B 84 -3.994 12.762 -5.762 1.00 0.00 C ATOM 1668 C THR B 84 -3.761 11.825 -4.573 1.00 0.00 C ATOM 1669 O THR B 84 -3.732 10.617 -4.750 1.00 0.00 O ATOM 1670 CB THR B 84 -3.354 12.113 -7.003 1.00 0.00 C ATOM 1671 OG1 THR B 84 -1.976 11.846 -6.750 1.00 0.00 O ATOM 1672 CG2 THR B 84 -3.451 13.027 -8.205 1.00 0.00 C ATOM 0 H THR B 84 -2.493 14.153 -5.240 1.00 0.00 H new ATOM 0 HA THR B 84 -5.070 12.891 -5.877 1.00 0.00 H new ATOM 0 HB THR B 84 -3.891 11.188 -7.212 1.00 0.00 H new ATOM 0 HG1 THR B 84 -1.569 11.447 -7.547 1.00 0.00 H new ATOM 0 HG21 THR B 84 -2.991 12.544 -9.067 1.00 0.00 H new ATOM 0 HG22 THR B 84 -4.499 13.234 -8.421 1.00 0.00 H new ATOM 0 HG23 THR B 84 -2.932 13.962 -7.994 1.00 0.00 H new ATOM 1680 N ALA B 85 -3.647 12.360 -3.374 1.00 0.00 N ATOM 1681 CA ALA B 85 -3.378 11.531 -2.201 1.00 0.00 C ATOM 1682 C ALA B 85 -4.482 10.517 -1.952 1.00 0.00 C ATOM 1683 O ALA B 85 -4.281 9.327 -2.155 1.00 0.00 O ATOM 1684 CB ALA B 85 -3.171 12.404 -0.977 1.00 0.00 C ATOM 0 H ALA B 85 -3.735 13.357 -3.180 1.00 0.00 H new ATOM 0 HA ALA B 85 -2.464 10.970 -2.399 1.00 0.00 H new ATOM 0 HB1 ALA B 85 -2.972 11.774 -0.110 1.00 0.00 H new ATOM 0 HB2 ALA B 85 -2.324 13.070 -1.144 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -4.068 12.996 -0.796 1.00 0.00 H new ATOM 1690 N VAL B 86 -5.648 10.986 -1.533 1.00 0.00 N ATOM 1691 CA VAL B 86 -6.777 10.089 -1.287 1.00 0.00 C ATOM 1692 C VAL B 86 -7.226 9.427 -2.584 1.00 0.00 C ATOM 1693 O VAL B 86 -7.694 8.293 -2.589 1.00 0.00 O ATOM 1694 CB VAL B 86 -7.957 10.830 -0.611 1.00 0.00 C ATOM 1695 CG1 VAL B 86 -9.308 10.238 -0.999 1.00 0.00 C ATOM 1696 CG2 VAL B 86 -7.793 10.782 0.896 1.00 0.00 C ATOM 0 H VAL B 86 -5.841 11.972 -1.356 1.00 0.00 H new ATOM 0 HA VAL B 86 -6.441 9.313 -0.599 1.00 0.00 H new ATOM 0 HB VAL B 86 -7.939 11.863 -0.959 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -10.104 10.791 -0.500 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -9.439 10.308 -2.079 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -9.347 9.192 -0.696 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -8.625 11.304 1.369 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -7.780 9.744 1.228 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -6.856 11.264 1.176 1.00 0.00 H new ATOM 1706 N LYS B 87 -7.019 10.128 -3.684 1.00 0.00 N ATOM 1707 CA LYS B 87 -7.398 9.629 -4.993 1.00 0.00 C ATOM 1708 C LYS B 87 -6.588 8.376 -5.332 1.00 0.00 C ATOM 1709 O LYS B 87 -7.151 7.331 -5.676 1.00 0.00 O ATOM 1710 CB LYS B 87 -7.202 10.726 -6.046 1.00 0.00 C ATOM 1711 CG LYS B 87 -8.062 11.966 -5.800 1.00 0.00 C ATOM 1712 CD LYS B 87 -7.371 12.976 -4.886 1.00 0.00 C ATOM 1713 CE LYS B 87 -8.356 13.670 -3.954 1.00 0.00 C ATOM 1714 NZ LYS B 87 -7.673 14.566 -2.978 1.00 0.00 N ATOM 0 H LYS B 87 -6.587 11.052 -3.696 1.00 0.00 H new ATOM 0 HA LYS B 87 -8.452 9.353 -4.986 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -6.152 11.019 -6.063 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -7.436 10.320 -7.030 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -8.293 12.441 -6.754 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -9.011 11.666 -5.355 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -6.609 12.468 -4.295 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -6.858 13.723 -5.493 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -9.064 14.252 -4.544 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -8.933 12.919 -3.413 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -8.352 14.870 -2.251 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -6.889 14.054 -2.526 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -7.301 15.401 -3.474 1.00 0.00 H new ATOM 1728 N GLU B 88 -5.270 8.468 -5.192 1.00 0.00 N ATOM 1729 CA GLU B 88 -4.405 7.332 -5.460 1.00 0.00 C ATOM 1730 C GLU B 88 -4.590 6.310 -4.347 1.00 0.00 C ATOM 1731 O GLU B 88 -4.541 5.104 -4.571 1.00 0.00 O ATOM 1732 CB GLU B 88 -2.940 7.782 -5.560 1.00 0.00 C ATOM 1733 CG GLU B 88 -2.613 8.485 -6.874 1.00 0.00 C ATOM 1734 CD GLU B 88 -1.124 8.541 -7.186 1.00 0.00 C ATOM 1735 OE1 GLU B 88 -0.599 7.589 -7.814 1.00 0.00 O ATOM 1736 OE2 GLU B 88 -0.478 9.548 -6.837 1.00 0.00 O ATOM 0 H GLU B 88 -4.782 9.314 -4.896 1.00 0.00 H new ATOM 0 HA GLU B 88 -4.671 6.879 -6.415 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -2.716 8.454 -4.731 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -2.292 6.913 -5.450 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -3.126 7.972 -7.687 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -3.006 9.501 -6.839 1.00 0.00 H new ATOM 1743 N ARG B 89 -4.843 6.829 -3.149 1.00 0.00 N ATOM 1744 CA ARG B 89 -5.068 6.022 -1.955 1.00 0.00 C ATOM 1745 C ARG B 89 -6.216 5.043 -2.176 1.00 0.00 C ATOM 1746 O ARG B 89 -6.082 3.841 -1.932 1.00 0.00 O ATOM 1747 CB ARG B 89 -5.392 6.956 -0.783 1.00 0.00 C ATOM 1748 CG ARG B 89 -5.256 6.339 0.596 1.00 0.00 C ATOM 1749 CD ARG B 89 -6.527 5.631 1.035 1.00 0.00 C ATOM 1750 NE ARG B 89 -7.748 6.374 0.707 1.00 0.00 N ATOM 1751 CZ ARG B 89 -8.527 6.964 1.611 1.00 0.00 C ATOM 1752 NH1 ARG B 89 -8.158 7.013 2.883 1.00 0.00 N ATOM 1753 NH2 ARG B 89 -9.670 7.516 1.229 1.00 0.00 N ATOM 0 H ARG B 89 -4.898 7.833 -2.979 1.00 0.00 H new ATOM 0 HA ARG B 89 -4.170 5.445 -1.734 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -4.736 7.825 -0.840 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -6.413 7.319 -0.901 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -4.429 5.629 0.595 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -5.008 7.117 1.318 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -6.569 4.649 0.563 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -6.489 5.465 2.112 1.00 0.00 H new ATOM 0 HE ARG B 89 -8.017 6.443 -0.274 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -7.273 6.597 3.174 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -8.759 7.466 3.571 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -9.948 7.487 0.248 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -10.272 7.970 1.916 1.00 0.00 H new ATOM 1767 N ASP B 90 -7.341 5.569 -2.641 1.00 0.00 N ATOM 1768 CA ASP B 90 -8.522 4.758 -2.892 1.00 0.00 C ATOM 1769 C ASP B 90 -8.277 3.749 -3.999 1.00 0.00 C ATOM 1770 O ASP B 90 -8.785 2.635 -3.940 1.00 0.00 O ATOM 1771 CB ASP B 90 -9.723 5.639 -3.240 1.00 0.00 C ATOM 1772 CG ASP B 90 -10.513 6.036 -2.012 1.00 0.00 C ATOM 1773 OD1 ASP B 90 -10.031 6.894 -1.244 1.00 0.00 O ATOM 1774 OD2 ASP B 90 -11.604 5.467 -1.794 1.00 0.00 O ATOM 0 H ASP B 90 -7.460 6.560 -2.853 1.00 0.00 H new ATOM 0 HA ASP B 90 -8.742 4.210 -1.976 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -9.377 6.536 -3.754 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -10.374 5.106 -3.933 1.00 0.00 H new ATOM 1779 N ALA B 91 -7.463 4.123 -4.980 1.00 0.00 N ATOM 1780 CA ALA B 91 -7.165 3.231 -6.099 1.00 0.00 C ATOM 1781 C ALA B 91 -6.429 1.988 -5.608 1.00 0.00 C ATOM 1782 O ALA B 91 -6.613 0.885 -6.125 1.00 0.00 O ATOM 1783 CB ALA B 91 -6.346 3.956 -7.155 1.00 0.00 C ATOM 0 H ALA B 91 -7.000 5.031 -5.025 1.00 0.00 H new ATOM 0 HA ALA B 91 -8.106 2.917 -6.551 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -6.133 3.277 -7.980 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -6.908 4.813 -7.526 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -5.409 4.299 -6.717 1.00 0.00 H new ATOM 1789 N VAL B 92 -5.613 2.182 -4.585 1.00 0.00 N ATOM 1790 CA VAL B 92 -4.845 1.097 -3.998 1.00 0.00 C ATOM 1791 C VAL B 92 -5.752 0.262 -3.114 1.00 0.00 C ATOM 1792 O VAL B 92 -5.753 -0.961 -3.194 1.00 0.00 O ATOM 1793 CB VAL B 92 -3.651 1.609 -3.163 1.00 0.00 C ATOM 1794 CG1 VAL B 92 -2.703 0.470 -2.826 1.00 0.00 C ATOM 1795 CG2 VAL B 92 -2.905 2.711 -3.891 1.00 0.00 C ATOM 0 H VAL B 92 -5.465 3.088 -4.141 1.00 0.00 H new ATOM 0 HA VAL B 92 -4.444 0.498 -4.815 1.00 0.00 H new ATOM 0 HB VAL B 92 -4.049 2.021 -2.235 1.00 0.00 H new ATOM 0 HG11 VAL B 92 -1.869 0.853 -2.238 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -3.235 -0.288 -2.251 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -2.324 0.027 -3.747 1.00 0.00 H new ATOM 0 HG21 VAL B 92 -2.070 3.051 -3.278 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -2.527 2.329 -4.840 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -3.581 3.545 -4.079 1.00 0.00 H new ATOM 1805 N LYS B 93 -6.537 0.945 -2.282 1.00 0.00 N ATOM 1806 CA LYS B 93 -7.484 0.290 -1.383 1.00 0.00 C ATOM 1807 C LYS B 93 -8.412 -0.621 -2.178 1.00 0.00 C ATOM 1808 O LYS B 93 -8.720 -1.738 -1.765 1.00 0.00 O ATOM 1809 CB LYS B 93 -8.301 1.353 -0.633 1.00 0.00 C ATOM 1810 CG LYS B 93 -9.559 0.821 0.049 1.00 0.00 C ATOM 1811 CD LYS B 93 -10.810 1.077 -0.787 1.00 0.00 C ATOM 1812 CE LYS B 93 -11.144 2.559 -0.860 1.00 0.00 C ATOM 1813 NZ LYS B 93 -12.015 2.882 -2.023 1.00 0.00 N ATOM 0 H LYS B 93 -6.534 1.963 -2.213 1.00 0.00 H new ATOM 0 HA LYS B 93 -6.936 -0.314 -0.660 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -7.664 1.818 0.120 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -8.587 2.135 -1.336 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -9.452 -0.249 0.224 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -9.671 1.294 1.025 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -10.661 0.688 -1.794 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -11.652 0.535 -0.357 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -11.642 2.863 0.061 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -10.221 3.135 -0.928 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -11.998 3.907 -2.196 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -11.667 2.383 -2.867 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -12.990 2.581 -1.821 1.00 0.00 H new ATOM 1827 N ASP B 94 -8.838 -0.114 -3.321 1.00 0.00 N ATOM 1828 CA ASP B 94 -9.725 -0.824 -4.224 1.00 0.00 C ATOM 1829 C ASP B 94 -9.086 -2.111 -4.715 1.00 0.00 C ATOM 1830 O ASP B 94 -9.664 -3.194 -4.595 1.00 0.00 O ATOM 1831 CB ASP B 94 -10.063 0.085 -5.404 1.00 0.00 C ATOM 1832 CG ASP B 94 -11.313 0.909 -5.161 1.00 0.00 C ATOM 1833 OD1 ASP B 94 -11.560 1.290 -3.994 1.00 0.00 O ATOM 1834 OD2 ASP B 94 -12.050 1.174 -6.129 1.00 0.00 O ATOM 0 H ASP B 94 -8.574 0.814 -3.652 1.00 0.00 H new ATOM 0 HA ASP B 94 -10.638 -1.091 -3.691 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -9.223 0.753 -5.597 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -10.200 -0.522 -6.299 1.00 0.00 H new ATOM 1839 N LEU B 95 -7.888 -1.996 -5.255 1.00 0.00 N ATOM 1840 CA LEU B 95 -7.176 -3.157 -5.755 1.00 0.00 C ATOM 1841 C LEU B 95 -6.826 -4.102 -4.616 1.00 0.00 C ATOM 1842 O LEU B 95 -6.928 -5.314 -4.761 1.00 0.00 O ATOM 1843 CB LEU B 95 -5.912 -2.733 -6.504 1.00 0.00 C ATOM 1844 CG LEU B 95 -5.831 -3.198 -7.963 1.00 0.00 C ATOM 1845 CD1 LEU B 95 -7.026 -2.696 -8.760 1.00 0.00 C ATOM 1846 CD2 LEU B 95 -4.539 -2.716 -8.594 1.00 0.00 C ATOM 0 H LEU B 95 -7.388 -1.113 -5.359 1.00 0.00 H new ATOM 0 HA LEU B 95 -7.829 -3.683 -6.451 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -5.843 -1.645 -6.482 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -5.045 -3.118 -5.968 1.00 0.00 H new ATOM 0 HG LEU B 95 -5.847 -4.288 -7.976 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -6.945 -3.039 -9.791 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -7.945 -3.083 -8.320 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -7.045 -1.606 -8.740 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -4.492 -3.052 -9.630 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -4.504 -1.627 -8.564 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -3.691 -3.122 -8.042 1.00 0.00 H new ATOM 1858 N LEU B 96 -6.457 -3.544 -3.472 1.00 0.00 N ATOM 1859 CA LEU B 96 -6.086 -4.350 -2.321 1.00 0.00 C ATOM 1860 C LEU B 96 -7.261 -5.146 -1.780 1.00 0.00 C ATOM 1861 O LEU B 96 -7.127 -6.331 -1.493 1.00 0.00 O ATOM 1862 CB LEU B 96 -5.485 -3.486 -1.226 1.00 0.00 C ATOM 1863 CG LEU B 96 -4.094 -2.979 -1.558 1.00 0.00 C ATOM 1864 CD1 LEU B 96 -3.514 -2.192 -0.397 1.00 0.00 C ATOM 1865 CD2 LEU B 96 -3.184 -4.134 -1.935 1.00 0.00 C ATOM 0 H LEU B 96 -6.407 -2.537 -3.317 1.00 0.00 H new ATOM 0 HA LEU B 96 -5.334 -5.062 -2.660 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -6.141 -2.635 -1.043 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -5.444 -4.061 -0.301 1.00 0.00 H new ATOM 0 HG LEU B 96 -4.169 -2.308 -2.414 1.00 0.00 H new ATOM 0 HD11 LEU B 96 -2.517 -1.839 -0.659 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -4.156 -1.338 -0.180 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -3.453 -2.833 0.483 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -2.190 -3.753 -2.170 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -3.117 -4.832 -1.100 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -3.591 -4.648 -2.806 1.00 0.00 H new ATOM 1877 N GLN B 97 -8.419 -4.503 -1.663 1.00 0.00 N ATOM 1878 CA GLN B 97 -9.608 -5.179 -1.157 1.00 0.00 C ATOM 1879 C GLN B 97 -10.038 -6.275 -2.123 1.00 0.00 C ATOM 1880 O GLN B 97 -10.708 -7.227 -1.739 1.00 0.00 O ATOM 1881 CB GLN B 97 -10.752 -4.186 -0.913 1.00 0.00 C ATOM 1882 CG GLN B 97 -11.437 -3.692 -2.176 1.00 0.00 C ATOM 1883 CD GLN B 97 -12.618 -2.787 -1.884 1.00 0.00 C ATOM 1884 OE1 GLN B 97 -12.551 -2.058 -0.779 1.00 0.00 O flip ATOM 1885 NE2 GLN B 97 -13.583 -2.742 -2.641 1.00 0.00 N flip ATOM 0 H GLN B 97 -8.559 -3.523 -1.909 1.00 0.00 H new ATOM 0 HA GLN B 97 -9.360 -5.635 -0.198 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -11.496 -4.659 -0.272 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -10.361 -3.327 -0.367 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -10.715 -3.154 -2.790 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -11.776 -4.548 -2.760 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -13.598 -3.318 -3.482 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -14.370 -2.128 -2.429 1.00 0.00 H new ATOM 1894 N GLN B 98 -9.651 -6.126 -3.383 1.00 0.00 N ATOM 1895 CA GLN B 98 -9.969 -7.121 -4.398 1.00 0.00 C ATOM 1896 C GLN B 98 -8.924 -8.238 -4.413 1.00 0.00 C ATOM 1897 O GLN B 98 -9.238 -9.399 -4.677 1.00 0.00 O ATOM 1898 CB GLN B 98 -10.051 -6.462 -5.773 1.00 0.00 C ATOM 1899 CG GLN B 98 -11.381 -5.774 -6.038 1.00 0.00 C ATOM 1900 CD GLN B 98 -11.352 -4.901 -7.277 1.00 0.00 C ATOM 1901 OE1 GLN B 98 -11.641 -5.357 -8.381 1.00 0.00 O ATOM 1902 NE2 GLN B 98 -11.001 -3.639 -7.100 1.00 0.00 N ATOM 0 H GLN B 98 -9.117 -5.327 -3.726 1.00 0.00 H new ATOM 0 HA GLN B 98 -10.937 -7.560 -4.154 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -9.248 -5.731 -5.865 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -9.883 -7.218 -6.540 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -12.160 -6.528 -6.148 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -11.648 -5.164 -5.175 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -10.769 -3.300 -6.166 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -10.963 -3.004 -7.897 1.00 0.00 H new ATOM 1911 N LEU B 99 -7.677 -7.881 -4.126 1.00 0.00 N ATOM 1912 CA LEU B 99 -6.579 -8.837 -4.118 1.00 0.00 C ATOM 1913 C LEU B 99 -6.482 -9.597 -2.801 1.00 0.00 C ATOM 1914 O LEU B 99 -5.850 -10.649 -2.740 1.00 0.00 O ATOM 1915 CB LEU B 99 -5.259 -8.123 -4.388 1.00 0.00 C ATOM 1916 CG LEU B 99 -5.131 -7.537 -5.789 1.00 0.00 C ATOM 1917 CD1 LEU B 99 -4.101 -6.418 -5.804 1.00 0.00 C ATOM 1918 CD2 LEU B 99 -4.765 -8.625 -6.786 1.00 0.00 C ATOM 0 H LEU B 99 -7.401 -6.927 -3.894 1.00 0.00 H new ATOM 0 HA LEU B 99 -6.782 -9.561 -4.907 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -5.139 -7.320 -3.660 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -4.441 -8.825 -4.226 1.00 0.00 H new ATOM 0 HG LEU B 99 -6.093 -7.117 -6.082 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -4.022 -6.010 -6.812 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -4.410 -5.630 -5.117 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -3.133 -6.811 -5.494 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -4.677 -8.191 -7.782 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -3.814 -9.075 -6.501 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -5.541 -9.390 -6.791 1.00 0.00 H new ATOM 1930 N LEU B 100 -7.087 -9.070 -1.747 1.00 0.00 N ATOM 1931 CA LEU B 100 -7.037 -9.736 -0.452 1.00 0.00 C ATOM 1932 C LEU B 100 -7.721 -11.103 -0.481 1.00 0.00 C ATOM 1933 O LEU B 100 -7.079 -12.094 -0.162 1.00 0.00 O ATOM 1934 CB LEU B 100 -7.585 -8.855 0.669 1.00 0.00 C ATOM 1935 CG LEU B 100 -6.524 -7.991 1.348 1.00 0.00 C ATOM 1936 CD1 LEU B 100 -7.126 -7.192 2.491 1.00 0.00 C ATOM 1937 CD2 LEU B 100 -5.380 -8.863 1.846 1.00 0.00 C ATOM 0 H LEU B 100 -7.612 -8.195 -1.760 1.00 0.00 H new ATOM 0 HA LEU B 100 -5.983 -9.911 -0.234 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -8.362 -8.208 0.263 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -8.058 -9.489 1.419 1.00 0.00 H new ATOM 0 HG LEU B 100 -6.133 -7.285 0.616 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -6.351 -6.585 2.958 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -7.913 -6.543 2.106 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -7.547 -7.874 3.229 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -4.629 -8.237 2.328 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -5.762 -9.590 2.563 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -4.929 -9.387 1.004 1.00 0.00 H new ATOM 1949 N PRO B 101 -9.006 -11.208 -0.891 1.00 0.00 N ATOM 1950 CA PRO B 101 -9.705 -12.503 -0.954 1.00 0.00 C ATOM 1951 C PRO B 101 -9.062 -13.448 -1.963 1.00 0.00 C ATOM 1952 O PRO B 101 -9.430 -14.619 -2.069 1.00 0.00 O ATOM 1953 CB PRO B 101 -11.129 -12.141 -1.390 1.00 0.00 C ATOM 1954 CG PRO B 101 -11.262 -10.685 -1.103 1.00 0.00 C ATOM 1955 CD PRO B 101 -9.893 -10.106 -1.298 1.00 0.00 C ATOM 0 HA PRO B 101 -9.670 -13.027 0.001 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -11.283 -12.350 -2.449 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -11.870 -12.721 -0.840 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -11.984 -10.218 -1.773 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -11.617 -10.517 -0.086 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -9.723 -9.813 -2.334 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -9.740 -9.217 -0.686 1.00 0.00 H new ATOM 1963 N LYS B 102 -8.111 -12.917 -2.712 1.00 0.00 N ATOM 1964 CA LYS B 102 -7.387 -13.677 -3.710 1.00 0.00 C ATOM 1965 C LYS B 102 -6.305 -14.528 -3.037 1.00 0.00 C ATOM 1966 O LYS B 102 -5.917 -15.575 -3.556 1.00 0.00 O ATOM 1967 CB LYS B 102 -6.778 -12.700 -4.730 1.00 0.00 C ATOM 1968 CG LYS B 102 -6.054 -13.340 -5.907 1.00 0.00 C ATOM 1969 CD LYS B 102 -5.453 -12.267 -6.823 1.00 0.00 C ATOM 1970 CE LYS B 102 -4.520 -12.846 -7.885 1.00 0.00 C ATOM 1971 NZ LYS B 102 -3.610 -11.806 -8.469 1.00 0.00 N ATOM 0 H LYS B 102 -7.820 -11.942 -2.643 1.00 0.00 H new ATOM 0 HA LYS B 102 -8.062 -14.355 -4.232 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -7.575 -12.066 -5.119 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -6.078 -12.048 -4.208 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -5.265 -13.996 -5.541 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -6.748 -13.961 -6.473 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -6.260 -11.722 -7.313 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -4.903 -11.546 -6.218 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -3.922 -13.644 -7.444 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -5.113 -13.295 -8.681 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -3.195 -12.164 -9.353 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -4.153 -10.941 -8.667 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -2.850 -11.590 -7.792 1.00 0.00 H new ATOM 1985 N PHE B 103 -5.833 -14.078 -1.871 1.00 0.00 N ATOM 1986 CA PHE B 103 -4.786 -14.794 -1.137 1.00 0.00 C ATOM 1987 C PHE B 103 -5.174 -15.059 0.316 1.00 0.00 C ATOM 1988 O PHE B 103 -4.830 -16.096 0.882 1.00 0.00 O ATOM 1989 CB PHE B 103 -3.479 -14.009 -1.199 1.00 0.00 C ATOM 1990 CG PHE B 103 -3.072 -13.698 -2.605 1.00 0.00 C ATOM 1991 CD1 PHE B 103 -2.469 -14.663 -3.391 1.00 0.00 C ATOM 1992 CD2 PHE B 103 -3.318 -12.451 -3.147 1.00 0.00 C ATOM 1993 CE1 PHE B 103 -2.120 -14.389 -4.695 1.00 0.00 C ATOM 1994 CE2 PHE B 103 -2.967 -12.169 -4.448 1.00 0.00 C ATOM 1995 CZ PHE B 103 -2.369 -13.141 -5.223 1.00 0.00 C ATOM 0 H PHE B 103 -6.158 -13.225 -1.416 1.00 0.00 H new ATOM 0 HA PHE B 103 -4.655 -15.764 -1.616 1.00 0.00 H new ATOM 0 HB2 PHE B 103 -3.589 -13.079 -0.640 1.00 0.00 H new ATOM 0 HB3 PHE B 103 -2.690 -14.582 -0.712 1.00 0.00 H new ATOM 0 HD1 PHE B 103 -2.270 -15.641 -2.978 1.00 0.00 H new ATOM 0 HD2 PHE B 103 -3.790 -11.690 -2.544 1.00 0.00 H new ATOM 0 HE1 PHE B 103 -1.652 -15.150 -5.302 1.00 0.00 H new ATOM 0 HE2 PHE B 103 -3.159 -11.190 -4.861 1.00 0.00 H new ATOM 0 HZ PHE B 103 -2.096 -12.923 -6.245 1.00 0.00 H new