USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 826 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 81 ASN : amide:sc= -0.704 X(o=0.55,f=0.64) USER MOD Set 1.2: B 83 SER OG : rot -84:sc= 1.25 USER MOD Set 2.1: B 66 GLN : amide:sc= -3.75! C(o=-4.3!,f=-4.6!) USER MOD Set 2.2: B 76 ASN : amide:sc= -0.531 K(o=-4.3,f=-8.7!) USER MOD Set 3.1: A 52 GLN : amide:sc= -7.23! C(o=-13!,f=-17!) USER MOD Set 3.2: B 56 SER OG : rot 62:sc= 2.22 USER MOD Set 3.3: B 60 LYS NZ :NH3+ 168:sc= 0.0353 (180deg=0) USER MOD Set 3.4: B 64 GLN : amide:sc= -7.54! C(o=-13!,f=-15!) USER MOD Single : B 13 LYS NZ :NH3+ 172:sc= -2.07! (180deg=-2.45!) USER MOD Single : B 14 LYS NZ :NH3+ 173:sc= 2.23 (180deg=1.96) USER MOD Single : B 17 GLN :FLIP amide:sc= -1.19 F(o=-2.3,f=-1.2) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 LYS NZ :NH3+ -169:sc= -0.0264 (180deg=-0.139) USER MOD Single : B 20 GLN :FLIP amide:sc= -0.326 F(o=-1.8!,f=-0.33) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 MET CE :methyl 173:sc= 0 (180deg=-0.0787) USER MOD Single : B 42 THR OG1 : rot 131:sc= -0.452 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 45 HIS : no HD1:sc= -1.2 X(o=-1.2,f=-1.7) USER MOD Single : B 46 MET CE :methyl -152:sc= -0.171 (180deg=-0.812) USER MOD Single : B 47 TYR OH : rot 140:sc= 1.32 USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 52 CYS SG : rot 180:sc= -6.14! USER MOD Single : B 53 GLN : amide:sc= -1.29 X(o=-1.3,f=-0.96) USER MOD Single : B 54 LYS NZ :NH3+ -178:sc= 1.3 (180deg=1.13) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 70 HIS :FLIP no HE2:sc= -1.1 F(o=-3.2,f=-1.1) USER MOD Single : B 74 THR OG1 : rot 37:sc= 0.101 USER MOD Single : B 75 THR OG1 : rot 180:sc= 0 USER MOD Single : B 78 HIS : no HD1:sc= -3.66 X(o=-3.7,f=-4.1) USER MOD Single : B 80 SER OG : rot -23:sc= 0.96 USER MOD Single : B 84 THR OG1 : rot 136:sc= 0.859 USER MOD Single : B 87 LYS NZ :NH3+ 177:sc= 1.26 (180deg=1.18) USER MOD Single : B 93 LYS NZ :NH3+ -146:sc= 2.43 (180deg=1.51) USER MOD Single : B 97 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.0056) USER MOD Single : B 98 GLN : amide:sc= 0.246 X(o=0.25,f=0) USER MOD Single : B 102 LYS NZ :NH3+ 143:sc= -2.18! (180deg=-3.28!) USER MOD ----------------------------------------------------------------- ATOM 134 N ILE A 50 -0.464 8.763 13.768 1.00 0.00 N ATOM 135 CA ILE A 50 -1.298 7.975 12.902 1.00 0.00 C ATOM 136 C ILE A 50 -1.858 6.726 13.579 1.00 0.00 C ATOM 137 O ILE A 50 -1.124 5.857 14.042 1.00 0.00 O ATOM 138 CB ILE A 50 -0.500 7.581 11.630 1.00 0.00 C ATOM 139 CG1 ILE A 50 -0.817 8.509 10.469 1.00 0.00 C ATOM 140 CG2 ILE A 50 -0.774 6.160 11.205 1.00 0.00 C ATOM 141 CD1 ILE A 50 0.225 8.453 9.382 1.00 0.00 C ATOM 0 HA ILE A 50 -2.156 8.592 12.635 1.00 0.00 H new ATOM 0 HB ILE A 50 0.554 7.672 11.894 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.788 8.243 10.051 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.898 9.532 10.838 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.194 5.929 10.311 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.490 5.479 12.008 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.836 6.043 10.989 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.051 9.135 8.578 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.192 8.746 9.790 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.289 7.438 8.991 1.00 0.00 H new ATOM 153 N GLU A 51 -3.172 6.739 13.676 1.00 0.00 N ATOM 154 CA GLU A 51 -4.000 5.630 14.162 1.00 0.00 C ATOM 155 C GLU A 51 -5.452 6.079 14.192 1.00 0.00 C ATOM 156 O GLU A 51 -6.233 5.753 15.081 1.00 0.00 O ATOM 157 CB GLU A 51 -3.566 5.011 15.490 1.00 0.00 C ATOM 158 CG GLU A 51 -2.795 3.708 15.292 1.00 0.00 C ATOM 159 CD GLU A 51 -3.250 2.946 14.055 1.00 0.00 C ATOM 160 OE1 GLU A 51 -4.263 2.216 14.137 1.00 0.00 O ATOM 161 OE2 GLU A 51 -2.608 3.090 12.991 1.00 0.00 O ATOM 0 H GLU A 51 -3.725 7.553 13.409 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.865 4.811 13.456 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.943 5.721 16.034 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.445 4.821 16.106 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.731 3.928 15.209 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.922 3.077 16.171 1.00 0.00 H new ATOM 168 N GLN A 52 -5.764 6.862 13.175 1.00 0.00 N ATOM 169 CA GLN A 52 -7.087 7.390 12.914 1.00 0.00 C ATOM 170 C GLN A 52 -7.443 6.870 11.558 1.00 0.00 C ATOM 171 O GLN A 52 -7.268 7.514 10.523 1.00 0.00 O ATOM 172 CB GLN A 52 -7.114 8.928 12.987 1.00 0.00 C ATOM 173 CG GLN A 52 -6.228 9.645 11.965 1.00 0.00 C ATOM 174 CD GLN A 52 -4.765 9.247 12.041 1.00 0.00 C ATOM 175 OE1 GLN A 52 -4.052 9.647 12.954 1.00 0.00 O ATOM 176 NE2 GLN A 52 -4.302 8.457 11.076 1.00 0.00 N ATOM 0 H GLN A 52 -5.075 7.158 12.483 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.813 7.074 13.663 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.142 9.264 12.852 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.808 9.234 13.987 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.601 9.435 10.963 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.311 10.721 12.117 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.924 8.143 10.331 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.325 8.165 11.081 1.00 0.00 H new ATOM 185 N TRP A 53 -7.874 5.650 11.576 1.00 0.00 N ATOM 186 CA TRP A 53 -8.165 4.959 10.372 1.00 0.00 C ATOM 187 C TRP A 53 -9.553 4.405 10.353 1.00 0.00 C ATOM 188 O TRP A 53 -10.311 4.503 11.313 1.00 0.00 O ATOM 189 CB TRP A 53 -7.195 3.791 10.239 1.00 0.00 C ATOM 190 CG TRP A 53 -5.754 4.182 10.234 1.00 0.00 C ATOM 191 CD1 TRP A 53 -5.002 4.609 11.271 1.00 0.00 C ATOM 192 CD2 TRP A 53 -4.909 4.152 9.115 1.00 0.00 C ATOM 193 NE1 TRP A 53 -3.719 4.888 10.843 1.00 0.00 N ATOM 194 CE2 TRP A 53 -3.640 4.606 9.503 1.00 0.00 C ATOM 195 CE3 TRP A 53 -5.127 3.790 7.821 1.00 0.00 C ATOM 196 CZ2 TRP A 53 -2.585 4.704 8.584 1.00 0.00 C ATOM 197 CZ3 TRP A 53 -4.118 3.875 6.931 1.00 0.00 C ATOM 198 CH2 TRP A 53 -2.859 4.329 7.300 1.00 0.00 C ATOM 0 H TRP A 53 -8.032 5.110 12.426 1.00 0.00 H new ATOM 0 HA TRP A 53 -8.070 5.671 9.552 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -7.367 3.096 11.061 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -7.416 3.254 9.316 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -5.353 4.717 12.287 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.960 5.243 11.424 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -6.100 3.438 7.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.607 5.057 8.877 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -4.293 3.583 5.906 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -2.079 4.387 6.555 1.00 0.00 H new ATOM 209 N PHE A 54 -9.870 3.895 9.200 1.00 0.00 N ATOM 210 CA PHE A 54 -11.091 3.198 8.961 1.00 0.00 C ATOM 211 C PHE A 54 -10.630 1.840 8.579 1.00 0.00 C ATOM 212 O PHE A 54 -10.218 1.634 7.434 1.00 0.00 O ATOM 213 CB PHE A 54 -11.890 3.810 7.825 1.00 0.00 C ATOM 214 CG PHE A 54 -12.018 5.286 7.921 1.00 0.00 C ATOM 215 CD1 PHE A 54 -12.271 5.894 9.135 1.00 0.00 C ATOM 216 CD2 PHE A 54 -11.904 6.065 6.793 1.00 0.00 C ATOM 217 CE1 PHE A 54 -12.415 7.249 9.221 1.00 0.00 C ATOM 218 CE2 PHE A 54 -12.041 7.420 6.866 1.00 0.00 C ATOM 219 CZ PHE A 54 -12.303 8.023 8.085 1.00 0.00 C ATOM 0 H PHE A 54 -9.267 3.956 8.380 1.00 0.00 H new ATOM 0 HA PHE A 54 -11.753 3.222 9.827 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -11.414 3.555 6.878 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -12.886 3.367 7.811 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -12.356 5.291 10.027 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -11.704 5.599 5.840 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.616 7.713 10.175 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -11.945 8.022 5.974 1.00 0.00 H new ATOM 0 HZ PHE A 54 -12.419 9.095 8.146 1.00 0.00 H new ATOM 246 N GLU A 56 -10.840 -0.802 7.069 1.00 0.00 N ATOM 247 CA GLU A 56 -11.577 -1.430 5.983 1.00 0.00 C ATOM 248 C GLU A 56 -11.718 -2.925 6.193 1.00 0.00 C ATOM 249 O GLU A 56 -12.806 -3.488 6.068 1.00 0.00 O ATOM 250 CB GLU A 56 -10.838 -1.166 4.685 1.00 0.00 C ATOM 251 CG GLU A 56 -11.252 0.135 4.014 1.00 0.00 C ATOM 252 CD GLU A 56 -11.685 -0.078 2.581 1.00 0.00 C ATOM 253 OE1 GLU A 56 -11.335 -1.134 2.007 1.00 0.00 O ATOM 254 OE2 GLU A 56 -12.366 0.809 2.024 1.00 0.00 O ATOM 0 HA GLU A 56 -12.581 -1.006 5.951 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.766 -1.140 4.883 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.015 -1.994 3.999 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.069 0.588 4.576 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.419 0.837 4.040 1.00 0.00 H new ATOM 261 N ASP A 57 -10.608 -3.557 6.511 1.00 0.00 N ATOM 262 CA ASP A 57 -10.600 -4.979 6.759 1.00 0.00 C ATOM 263 C ASP A 57 -10.306 -5.229 8.226 1.00 0.00 C ATOM 264 O ASP A 57 -9.183 -5.050 8.677 1.00 0.00 O ATOM 265 CB ASP A 57 -9.581 -5.684 5.851 1.00 0.00 C ATOM 266 CG ASP A 57 -9.496 -7.188 6.074 1.00 0.00 C ATOM 267 OD1 ASP A 57 -9.102 -7.616 7.176 1.00 0.00 O ATOM 268 OD2 ASP A 57 -9.777 -7.953 5.126 1.00 0.00 O ATOM 0 H ASP A 57 -9.698 -3.105 6.603 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.580 -5.395 6.524 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -9.844 -5.495 4.810 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -8.597 -5.245 6.016 1.00 0.00 H new ATOM 415 N GLU B 7 4.023 -8.553 -12.576 1.00 0.00 N ATOM 416 CA GLU B 7 3.250 -7.496 -13.182 1.00 0.00 C ATOM 417 C GLU B 7 2.956 -6.393 -12.186 1.00 0.00 C ATOM 418 O GLU B 7 2.658 -6.649 -11.020 1.00 0.00 O ATOM 419 CB GLU B 7 1.945 -8.031 -13.771 1.00 0.00 C ATOM 420 CG GLU B 7 1.314 -7.067 -14.761 1.00 0.00 C ATOM 421 CD GLU B 7 2.327 -6.546 -15.762 1.00 0.00 C ATOM 422 OE1 GLU B 7 3.069 -5.597 -15.423 1.00 0.00 O ATOM 423 OE2 GLU B 7 2.422 -7.104 -16.871 1.00 0.00 O ATOM 0 HA GLU B 7 3.850 -7.081 -13.992 1.00 0.00 H new ATOM 0 HB2 GLU B 7 2.137 -8.982 -14.268 1.00 0.00 H new ATOM 0 HB3 GLU B 7 1.241 -8.230 -12.963 1.00 0.00 H new ATOM 0 HG2 GLU B 7 0.504 -7.568 -15.291 1.00 0.00 H new ATOM 0 HG3 GLU B 7 0.872 -6.229 -14.222 1.00 0.00 H new ATOM 430 N VAL B 8 3.046 -5.164 -12.655 1.00 0.00 N ATOM 431 CA VAL B 8 2.775 -4.020 -11.817 1.00 0.00 C ATOM 432 C VAL B 8 1.321 -3.618 -11.999 1.00 0.00 C ATOM 433 O VAL B 8 0.956 -2.958 -12.969 1.00 0.00 O ATOM 434 CB VAL B 8 3.701 -2.828 -12.124 1.00 0.00 C ATOM 435 CG1 VAL B 8 3.751 -1.886 -10.934 1.00 0.00 C ATOM 436 CG2 VAL B 8 5.101 -3.307 -12.484 1.00 0.00 C ATOM 0 H VAL B 8 3.306 -4.935 -13.615 1.00 0.00 H new ATOM 0 HA VAL B 8 2.968 -4.303 -10.782 1.00 0.00 H new ATOM 0 HB VAL B 8 3.298 -2.290 -12.982 1.00 0.00 H new ATOM 0 HG11 VAL B 8 4.408 -1.047 -11.162 1.00 0.00 H new ATOM 0 HG12 VAL B 8 2.749 -1.514 -10.722 1.00 0.00 H new ATOM 0 HG13 VAL B 8 4.132 -2.420 -10.063 1.00 0.00 H new ATOM 0 HG21 VAL B 8 5.736 -2.447 -12.697 1.00 0.00 H new ATOM 0 HG22 VAL B 8 5.519 -3.869 -11.649 1.00 0.00 H new ATOM 0 HG23 VAL B 8 5.051 -3.948 -13.364 1.00 0.00 H new ATOM 446 N LEU B 9 0.509 -4.031 -11.046 1.00 0.00 N ATOM 447 CA LEU B 9 -0.917 -3.786 -11.066 1.00 0.00 C ATOM 448 C LEU B 9 -1.214 -2.325 -10.817 1.00 0.00 C ATOM 449 O LEU B 9 -2.131 -1.758 -11.408 1.00 0.00 O ATOM 450 CB LEU B 9 -1.606 -4.643 -10.000 1.00 0.00 C ATOM 451 CG LEU B 9 -1.951 -6.071 -10.423 1.00 0.00 C ATOM 452 CD1 LEU B 9 -2.408 -6.882 -9.222 1.00 0.00 C ATOM 453 CD2 LEU B 9 -3.029 -6.063 -11.494 1.00 0.00 C ATOM 0 H LEU B 9 0.825 -4.552 -10.228 1.00 0.00 H new ATOM 0 HA LEU B 9 -1.299 -4.054 -12.051 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -0.960 -4.689 -9.123 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -2.524 -4.142 -9.694 1.00 0.00 H new ATOM 0 HG LEU B 9 -1.055 -6.534 -10.837 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -2.650 -7.896 -9.539 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -1.610 -6.914 -8.480 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -3.292 -6.418 -8.785 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.262 -7.088 -11.783 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -3.926 -5.583 -11.103 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -2.673 -5.512 -12.365 1.00 0.00 H new ATOM 465 N LEU B 10 -0.442 -1.712 -9.936 1.00 0.00 N ATOM 466 CA LEU B 10 -0.660 -0.318 -9.628 1.00 0.00 C ATOM 467 C LEU B 10 0.636 0.409 -9.326 1.00 0.00 C ATOM 468 O LEU B 10 1.394 0.006 -8.445 1.00 0.00 O ATOM 469 CB LEU B 10 -1.572 -0.194 -8.422 1.00 0.00 C ATOM 470 CG LEU B 10 -2.455 1.055 -8.414 1.00 0.00 C ATOM 471 CD1 LEU B 10 -3.401 1.059 -9.607 1.00 0.00 C ATOM 472 CD2 LEU B 10 -3.239 1.140 -7.120 1.00 0.00 C ATOM 0 H LEU B 10 0.327 -2.152 -9.431 1.00 0.00 H new ATOM 0 HA LEU B 10 -1.116 0.137 -10.507 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.212 -1.075 -8.375 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -0.961 -0.196 -7.520 1.00 0.00 H new ATOM 0 HG LEU B 10 -1.808 1.929 -8.489 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -4.018 1.957 -9.579 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -2.822 1.045 -10.530 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -4.041 0.178 -9.567 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.862 2.034 -7.130 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -3.871 0.258 -7.019 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -2.548 1.189 -6.278 1.00 0.00 H new ATOM 484 N ILE B 11 0.891 1.460 -10.081 1.00 0.00 N ATOM 485 CA ILE B 11 2.064 2.291 -9.860 1.00 0.00 C ATOM 486 C ILE B 11 1.649 3.588 -9.187 1.00 0.00 C ATOM 487 O ILE B 11 1.044 4.463 -9.807 1.00 0.00 O ATOM 488 CB ILE B 11 2.814 2.617 -11.170 1.00 0.00 C ATOM 489 CG1 ILE B 11 3.284 1.321 -11.839 1.00 0.00 C ATOM 490 CG2 ILE B 11 3.989 3.552 -10.890 1.00 0.00 C ATOM 491 CD1 ILE B 11 4.324 1.518 -12.921 1.00 0.00 C ATOM 0 H ILE B 11 0.301 1.761 -10.856 1.00 0.00 H new ATOM 0 HA ILE B 11 2.744 1.726 -9.222 1.00 0.00 H new ATOM 0 HB ILE B 11 2.136 3.128 -11.854 1.00 0.00 H new ATOM 0 HG12 ILE B 11 3.693 0.660 -11.075 1.00 0.00 H new ATOM 0 HG13 ILE B 11 2.420 0.815 -12.270 1.00 0.00 H new ATOM 0 HG21 ILE B 11 4.508 3.773 -11.823 1.00 0.00 H new ATOM 0 HG22 ILE B 11 3.620 4.479 -10.452 1.00 0.00 H new ATOM 0 HG23 ILE B 11 4.679 3.072 -10.196 1.00 0.00 H new ATOM 0 HD11 ILE B 11 4.600 0.551 -13.341 1.00 0.00 H new ATOM 0 HD12 ILE B 11 3.915 2.152 -13.708 1.00 0.00 H new ATOM 0 HD13 ILE B 11 5.207 1.994 -12.495 1.00 0.00 H new ATOM 503 N VAL B 12 1.978 3.698 -7.915 1.00 0.00 N ATOM 504 CA VAL B 12 1.662 4.876 -7.134 1.00 0.00 C ATOM 505 C VAL B 12 2.926 5.695 -6.943 1.00 0.00 C ATOM 506 O VAL B 12 4.020 5.140 -6.833 1.00 0.00 O ATOM 507 CB VAL B 12 1.070 4.507 -5.760 1.00 0.00 C ATOM 508 CG1 VAL B 12 0.299 5.677 -5.177 1.00 0.00 C ATOM 509 CG2 VAL B 12 0.180 3.277 -5.865 1.00 0.00 C ATOM 0 H VAL B 12 2.472 2.973 -7.394 1.00 0.00 H new ATOM 0 HA VAL B 12 0.911 5.454 -7.673 1.00 0.00 H new ATOM 0 HB VAL B 12 1.896 4.271 -5.088 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -0.111 5.396 -4.207 1.00 0.00 H new ATOM 0 HG12 VAL B 12 0.968 6.529 -5.055 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -0.515 5.948 -5.850 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -0.226 3.037 -4.882 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.638 3.478 -6.556 1.00 0.00 H new ATOM 0 HG23 VAL B 12 0.766 2.434 -6.232 1.00 0.00 H new ATOM 519 N LYS B 13 2.787 7.003 -6.896 1.00 0.00 N ATOM 520 CA LYS B 13 3.946 7.873 -6.753 1.00 0.00 C ATOM 521 C LYS B 13 3.886 8.719 -5.499 1.00 0.00 C ATOM 522 O LYS B 13 2.828 8.887 -4.895 1.00 0.00 O ATOM 523 CB LYS B 13 4.083 8.779 -7.970 1.00 0.00 C ATOM 524 CG LYS B 13 4.216 8.011 -9.268 1.00 0.00 C ATOM 525 CD LYS B 13 3.207 8.481 -10.298 1.00 0.00 C ATOM 526 CE LYS B 13 1.800 7.973 -9.997 1.00 0.00 C ATOM 527 NZ LYS B 13 1.070 8.847 -9.033 1.00 0.00 N ATOM 0 H LYS B 13 1.892 7.489 -6.954 1.00 0.00 H new ATOM 0 HA LYS B 13 4.817 7.223 -6.673 1.00 0.00 H new ATOM 0 HB2 LYS B 13 3.213 9.433 -8.029 1.00 0.00 H new ATOM 0 HB3 LYS B 13 4.955 9.420 -7.843 1.00 0.00 H new ATOM 0 HG2 LYS B 13 5.225 8.134 -9.663 1.00 0.00 H new ATOM 0 HG3 LYS B 13 4.075 6.947 -9.078 1.00 0.00 H new ATOM 0 HD2 LYS B 13 3.200 9.571 -10.327 1.00 0.00 H new ATOM 0 HD3 LYS B 13 3.512 8.138 -11.287 1.00 0.00 H new ATOM 0 HE2 LYS B 13 1.234 7.910 -10.926 1.00 0.00 H new ATOM 0 HE3 LYS B 13 1.861 6.963 -9.592 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 0.079 8.538 -8.966 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 1.518 8.781 -8.097 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 1.103 9.832 -9.364 1.00 0.00 H new ATOM 541 N LYS B 14 5.048 9.263 -5.145 1.00 0.00 N ATOM 542 CA LYS B 14 5.218 10.103 -3.973 1.00 0.00 C ATOM 543 C LYS B 14 4.618 9.467 -2.728 1.00 0.00 C ATOM 544 O LYS B 14 4.010 10.137 -1.891 1.00 0.00 O ATOM 545 CB LYS B 14 4.635 11.482 -4.239 1.00 0.00 C ATOM 546 CG LYS B 14 5.648 12.455 -4.824 1.00 0.00 C ATOM 547 CD LYS B 14 5.458 13.860 -4.281 1.00 0.00 C ATOM 548 CE LYS B 14 4.262 14.544 -4.917 1.00 0.00 C ATOM 549 NZ LYS B 14 3.875 15.777 -4.178 1.00 0.00 N ATOM 0 H LYS B 14 5.908 9.127 -5.676 1.00 0.00 H new ATOM 0 HA LYS B 14 6.285 10.210 -3.778 1.00 0.00 H new ATOM 0 HB2 LYS B 14 3.793 11.388 -4.924 1.00 0.00 H new ATOM 0 HB3 LYS B 14 4.244 11.891 -3.307 1.00 0.00 H new ATOM 0 HG2 LYS B 14 6.657 12.110 -4.596 1.00 0.00 H new ATOM 0 HG3 LYS B 14 5.554 12.469 -5.910 1.00 0.00 H new ATOM 0 HD2 LYS B 14 5.323 13.818 -3.200 1.00 0.00 H new ATOM 0 HD3 LYS B 14 6.357 14.448 -4.467 1.00 0.00 H new ATOM 0 HE2 LYS B 14 4.495 14.798 -5.951 1.00 0.00 H new ATOM 0 HE3 LYS B 14 3.418 13.854 -4.941 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 3.133 16.280 -4.706 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 3.516 15.519 -3.237 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 4.705 16.395 -4.074 1.00 0.00 H new ATOM 563 N VAL B 15 4.788 8.162 -2.620 1.00 0.00 N ATOM 564 CA VAL B 15 4.303 7.430 -1.468 1.00 0.00 C ATOM 565 C VAL B 15 5.422 7.337 -0.452 1.00 0.00 C ATOM 566 O VAL B 15 6.481 6.798 -0.748 1.00 0.00 O ATOM 567 CB VAL B 15 3.800 6.016 -1.835 1.00 0.00 C ATOM 568 CG1 VAL B 15 3.222 5.319 -0.612 1.00 0.00 C ATOM 569 CG2 VAL B 15 2.763 6.106 -2.936 1.00 0.00 C ATOM 0 H VAL B 15 5.260 7.588 -3.319 1.00 0.00 H new ATOM 0 HA VAL B 15 3.449 7.968 -1.055 1.00 0.00 H new ATOM 0 HB VAL B 15 4.643 5.426 -2.194 1.00 0.00 H new ATOM 0 HG11 VAL B 15 2.873 4.325 -0.891 1.00 0.00 H new ATOM 0 HG12 VAL B 15 3.992 5.232 0.155 1.00 0.00 H new ATOM 0 HG13 VAL B 15 2.386 5.901 -0.223 1.00 0.00 H new ATOM 0 HG21 VAL B 15 2.413 5.105 -3.189 1.00 0.00 H new ATOM 0 HG22 VAL B 15 1.921 6.709 -2.595 1.00 0.00 H new ATOM 0 HG23 VAL B 15 3.207 6.569 -3.817 1.00 0.00 H new ATOM 579 N ARG B 16 5.199 7.886 0.725 1.00 0.00 N ATOM 580 CA ARG B 16 6.205 7.889 1.760 1.00 0.00 C ATOM 581 C ARG B 16 5.973 6.768 2.756 1.00 0.00 C ATOM 582 O ARG B 16 4.839 6.344 2.994 1.00 0.00 O ATOM 583 CB ARG B 16 6.219 9.233 2.485 1.00 0.00 C ATOM 584 CG ARG B 16 6.002 10.423 1.565 1.00 0.00 C ATOM 585 CD ARG B 16 6.340 11.736 2.252 1.00 0.00 C ATOM 586 NE ARG B 16 7.785 11.968 2.317 1.00 0.00 N ATOM 587 CZ ARG B 16 8.501 11.987 3.442 1.00 0.00 C ATOM 588 NH1 ARG B 16 7.935 11.721 4.615 1.00 0.00 N ATOM 589 NH2 ARG B 16 9.802 12.238 3.379 1.00 0.00 N ATOM 0 H ARG B 16 4.323 8.338 0.987 1.00 0.00 H new ATOM 0 HA ARG B 16 7.172 7.729 1.284 1.00 0.00 H new ATOM 0 HB2 ARG B 16 5.444 9.231 3.251 1.00 0.00 H new ATOM 0 HB3 ARG B 16 7.174 9.350 2.997 1.00 0.00 H new ATOM 0 HG2 ARG B 16 6.618 10.310 0.673 1.00 0.00 H new ATOM 0 HG3 ARG B 16 4.964 10.442 1.234 1.00 0.00 H new ATOM 0 HD2 ARG B 16 5.865 12.558 1.716 1.00 0.00 H new ATOM 0 HD3 ARG B 16 5.928 11.733 3.261 1.00 0.00 H new ATOM 0 HE ARG B 16 8.279 12.126 1.439 1.00 0.00 H new ATOM 0 HH11 ARG B 16 6.941 11.499 4.663 1.00 0.00 H new ATOM 0 HH12 ARG B 16 8.495 11.739 5.467 1.00 0.00 H new ATOM 0 HH21 ARG B 16 10.244 12.414 2.477 1.00 0.00 H new ATOM 0 HH22 ARG B 16 10.360 12.255 4.233 1.00 0.00 H new ATOM 603 N GLN B 17 7.067 6.285 3.305 1.00 0.00 N ATOM 604 CA GLN B 17 7.049 5.228 4.291 1.00 0.00 C ATOM 605 C GLN B 17 8.234 5.433 5.222 1.00 0.00 C ATOM 606 O GLN B 17 9.378 5.475 4.765 1.00 0.00 O ATOM 607 CB GLN B 17 7.124 3.862 3.601 1.00 0.00 C ATOM 608 CG GLN B 17 6.580 2.708 4.432 1.00 0.00 C ATOM 609 CD GLN B 17 7.496 2.324 5.576 1.00 0.00 C ATOM 610 OE1 GLN B 17 8.533 1.563 5.269 1.00 0.00 O flip ATOM 611 NE2 GLN B 17 7.292 2.733 6.718 1.00 0.00 N flip ATOM 0 H GLN B 17 8.003 6.619 3.076 1.00 0.00 H new ATOM 0 HA GLN B 17 6.122 5.256 4.864 1.00 0.00 H new ATOM 0 HB2 GLN B 17 6.571 3.911 2.663 1.00 0.00 H new ATOM 0 HB3 GLN B 17 8.163 3.653 3.347 1.00 0.00 H new ATOM 0 HG2 GLN B 17 5.604 2.983 4.831 1.00 0.00 H new ATOM 0 HG3 GLN B 17 6.429 1.842 3.788 1.00 0.00 H new ATOM 0 HE21 GLN B 17 6.480 3.318 6.913 1.00 0.00 H new ATOM 0 HE22 GLN B 17 7.935 2.487 7.470 1.00 0.00 H new ATOM 620 N LYS B 18 7.953 5.595 6.514 1.00 0.00 N ATOM 621 CA LYS B 18 8.994 5.816 7.518 1.00 0.00 C ATOM 622 C LYS B 18 9.655 7.174 7.279 1.00 0.00 C ATOM 623 O LYS B 18 10.866 7.327 7.442 1.00 0.00 O ATOM 624 CB LYS B 18 10.038 4.687 7.477 1.00 0.00 C ATOM 625 CG LYS B 18 10.416 4.127 8.845 1.00 0.00 C ATOM 626 CD LYS B 18 11.257 5.104 9.655 1.00 0.00 C ATOM 627 CE LYS B 18 12.635 5.316 9.045 1.00 0.00 C ATOM 628 NZ LYS B 18 13.398 6.367 9.766 1.00 0.00 N ATOM 0 H LYS B 18 7.006 5.577 6.893 1.00 0.00 H new ATOM 0 HA LYS B 18 8.539 5.812 8.508 1.00 0.00 H new ATOM 0 HB2 LYS B 18 9.653 3.875 6.860 1.00 0.00 H new ATOM 0 HB3 LYS B 18 10.939 5.059 6.989 1.00 0.00 H new ATOM 0 HG2 LYS B 18 9.509 3.885 9.399 1.00 0.00 H new ATOM 0 HG3 LYS B 18 10.968 3.196 8.715 1.00 0.00 H new ATOM 0 HD2 LYS B 18 10.739 6.061 9.720 1.00 0.00 H new ATOM 0 HD3 LYS B 18 11.365 4.731 10.673 1.00 0.00 H new ATOM 0 HE2 LYS B 18 13.192 4.380 9.070 1.00 0.00 H new ATOM 0 HE3 LYS B 18 12.530 5.596 7.997 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 14.331 6.484 9.323 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 12.878 7.266 9.721 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 13.520 6.087 10.760 1.00 0.00 H new ATOM 642 N LYS B 19 8.835 8.149 6.890 1.00 0.00 N ATOM 643 CA LYS B 19 9.290 9.508 6.607 1.00 0.00 C ATOM 644 C LYS B 19 10.260 9.517 5.430 1.00 0.00 C ATOM 645 O LYS B 19 11.193 10.318 5.378 1.00 0.00 O ATOM 646 CB LYS B 19 9.927 10.150 7.849 1.00 0.00 C ATOM 647 CG LYS B 19 9.639 11.642 7.965 1.00 0.00 C ATOM 648 CD LYS B 19 9.758 12.147 9.396 1.00 0.00 C ATOM 649 CE LYS B 19 8.712 11.531 10.321 1.00 0.00 C ATOM 650 NZ LYS B 19 7.319 11.851 9.906 1.00 0.00 N ATOM 0 H LYS B 19 7.832 8.017 6.762 1.00 0.00 H new ATOM 0 HA LYS B 19 8.419 10.105 6.336 1.00 0.00 H new ATOM 0 HB2 LYS B 19 9.558 9.644 8.742 1.00 0.00 H new ATOM 0 HB3 LYS B 19 11.006 9.996 7.818 1.00 0.00 H new ATOM 0 HG2 LYS B 19 10.332 12.193 7.329 1.00 0.00 H new ATOM 0 HG3 LYS B 19 8.635 11.845 7.593 1.00 0.00 H new ATOM 0 HD2 LYS B 19 10.754 11.920 9.777 1.00 0.00 H new ATOM 0 HD3 LYS B 19 9.653 13.232 9.405 1.00 0.00 H new ATOM 0 HE2 LYS B 19 8.842 10.449 10.340 1.00 0.00 H new ATOM 0 HE3 LYS B 19 8.875 11.889 11.337 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 6.659 11.572 10.660 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 7.234 12.873 9.733 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 7.088 11.332 9.035 1.00 0.00 H new ATOM 664 N GLN B 20 10.003 8.636 4.472 1.00 0.00 N ATOM 665 CA GLN B 20 10.835 8.516 3.284 1.00 0.00 C ATOM 666 C GLN B 20 9.948 8.421 2.056 1.00 0.00 C ATOM 667 O GLN B 20 9.160 7.485 1.928 1.00 0.00 O ATOM 668 CB GLN B 20 11.731 7.276 3.374 1.00 0.00 C ATOM 669 CG GLN B 20 12.705 7.305 4.542 1.00 0.00 C ATOM 670 CD GLN B 20 13.129 5.920 4.997 1.00 0.00 C ATOM 671 OE1 GLN B 20 12.221 4.959 4.915 1.00 0.00 O flip ATOM 672 NE2 GLN B 20 14.256 5.719 5.442 1.00 0.00 N flip ATOM 0 H GLN B 20 9.216 7.988 4.497 1.00 0.00 H new ATOM 0 HA GLN B 20 11.473 9.397 3.210 1.00 0.00 H new ATOM 0 HB2 GLN B 20 11.102 6.390 3.460 1.00 0.00 H new ATOM 0 HB3 GLN B 20 12.294 7.178 2.446 1.00 0.00 H new ATOM 0 HG2 GLN B 20 13.590 7.874 4.256 1.00 0.00 H new ATOM 0 HG3 GLN B 20 12.245 7.831 5.378 1.00 0.00 H new ATOM 0 HE21 GLN B 20 14.929 6.484 5.490 1.00 0.00 H new ATOM 0 HE22 GLN B 20 14.519 4.787 5.764 1.00 0.00 H new ATOM 681 N ASP B 21 10.068 9.389 1.167 1.00 0.00 N ATOM 682 CA ASP B 21 9.263 9.423 -0.048 1.00 0.00 C ATOM 683 C ASP B 21 9.793 8.463 -1.105 1.00 0.00 C ATOM 684 O ASP B 21 11.001 8.309 -1.287 1.00 0.00 O ATOM 685 CB ASP B 21 9.186 10.849 -0.610 1.00 0.00 C ATOM 686 CG ASP B 21 10.413 11.676 -0.285 1.00 0.00 C ATOM 687 OD1 ASP B 21 10.491 12.190 0.856 1.00 0.00 O ATOM 688 OD2 ASP B 21 11.293 11.810 -1.152 1.00 0.00 O ATOM 0 H ASP B 21 10.719 10.169 1.261 1.00 0.00 H new ATOM 0 HA ASP B 21 8.258 9.097 0.220 1.00 0.00 H new ATOM 0 HB2 ASP B 21 9.062 10.802 -1.692 1.00 0.00 H new ATOM 0 HB3 ASP B 21 8.302 11.345 -0.209 1.00 0.00 H new ATOM 693 N GLY B 22 8.866 7.786 -1.766 1.00 0.00 N ATOM 694 CA GLY B 22 9.217 6.855 -2.807 1.00 0.00 C ATOM 695 C GLY B 22 8.064 6.587 -3.752 1.00 0.00 C ATOM 696 O GLY B 22 7.402 7.512 -4.225 1.00 0.00 O ATOM 0 H GLY B 22 7.864 7.870 -1.593 1.00 0.00 H new ATOM 0 HA2 GLY B 22 10.063 7.247 -3.372 1.00 0.00 H new ATOM 0 HA3 GLY B 22 9.541 5.916 -2.358 1.00 0.00 H new ATOM 700 N ALA B 23 7.796 5.315 -3.993 1.00 0.00 N ATOM 701 CA ALA B 23 6.741 4.908 -4.900 1.00 0.00 C ATOM 702 C ALA B 23 6.162 3.572 -4.459 1.00 0.00 C ATOM 703 O ALA B 23 6.904 2.671 -4.066 1.00 0.00 O ATOM 704 CB ALA B 23 7.305 4.806 -6.299 1.00 0.00 C ATOM 0 H ALA B 23 8.303 4.539 -3.566 1.00 0.00 H new ATOM 0 HA ALA B 23 5.940 5.647 -4.889 1.00 0.00 H new ATOM 0 HB1 ALA B 23 6.517 4.500 -6.987 1.00 0.00 H new ATOM 0 HB2 ALA B 23 7.698 5.776 -6.605 1.00 0.00 H new ATOM 0 HB3 ALA B 23 8.107 4.068 -6.315 1.00 0.00 H new ATOM 710 N LEU B 24 4.848 3.443 -4.539 1.00 0.00 N ATOM 711 CA LEU B 24 4.176 2.220 -4.125 1.00 0.00 C ATOM 712 C LEU B 24 3.818 1.409 -5.368 1.00 0.00 C ATOM 713 O LEU B 24 3.232 1.935 -6.309 1.00 0.00 O ATOM 714 CB LEU B 24 2.912 2.580 -3.330 1.00 0.00 C ATOM 715 CG LEU B 24 2.485 1.605 -2.222 1.00 0.00 C ATOM 716 CD1 LEU B 24 1.089 1.952 -1.729 1.00 0.00 C ATOM 717 CD2 LEU B 24 2.532 0.164 -2.687 1.00 0.00 C ATOM 0 H LEU B 24 4.224 4.171 -4.887 1.00 0.00 H new ATOM 0 HA LEU B 24 4.829 1.624 -3.488 1.00 0.00 H new ATOM 0 HB2 LEU B 24 3.063 3.561 -2.879 1.00 0.00 H new ATOM 0 HB3 LEU B 24 2.085 2.677 -4.034 1.00 0.00 H new ATOM 0 HG LEU B 24 3.195 1.708 -1.401 1.00 0.00 H new ATOM 0 HD11 LEU B 24 0.797 1.255 -0.944 1.00 0.00 H new ATOM 0 HD12 LEU B 24 1.085 2.967 -1.332 1.00 0.00 H new ATOM 0 HD13 LEU B 24 0.383 1.883 -2.557 1.00 0.00 H new ATOM 0 HD21 LEU B 24 2.223 -0.491 -1.873 1.00 0.00 H new ATOM 0 HD22 LEU B 24 1.859 0.033 -3.534 1.00 0.00 H new ATOM 0 HD23 LEU B 24 3.549 -0.088 -2.989 1.00 0.00 H new ATOM 729 N TYR B 25 4.184 0.140 -5.375 1.00 0.00 N ATOM 730 CA TYR B 25 3.905 -0.722 -6.518 1.00 0.00 C ATOM 731 C TYR B 25 3.097 -1.954 -6.120 1.00 0.00 C ATOM 732 O TYR B 25 3.510 -2.731 -5.260 1.00 0.00 O ATOM 733 CB TYR B 25 5.207 -1.176 -7.183 1.00 0.00 C ATOM 734 CG TYR B 25 6.101 -0.050 -7.649 1.00 0.00 C ATOM 735 CD1 TYR B 25 5.872 0.587 -8.861 1.00 0.00 C ATOM 736 CD2 TYR B 25 7.182 0.365 -6.882 1.00 0.00 C ATOM 737 CE1 TYR B 25 6.695 1.608 -9.294 1.00 0.00 C ATOM 738 CE2 TYR B 25 8.010 1.383 -7.310 1.00 0.00 C ATOM 739 CZ TYR B 25 7.761 2.001 -8.516 1.00 0.00 C ATOM 740 OH TYR B 25 8.585 3.013 -8.947 1.00 0.00 O ATOM 0 H TYR B 25 4.674 -0.319 -4.607 1.00 0.00 H new ATOM 0 HA TYR B 25 3.316 -0.132 -7.220 1.00 0.00 H new ATOM 0 HB2 TYR B 25 5.762 -1.796 -6.479 1.00 0.00 H new ATOM 0 HB3 TYR B 25 4.962 -1.806 -8.038 1.00 0.00 H new ATOM 0 HD1 TYR B 25 5.038 0.280 -9.474 1.00 0.00 H new ATOM 0 HD2 TYR B 25 7.378 -0.117 -5.935 1.00 0.00 H new ATOM 0 HE1 TYR B 25 6.503 2.096 -10.238 1.00 0.00 H new ATOM 0 HE2 TYR B 25 8.848 1.693 -6.703 1.00 0.00 H new ATOM 0 HH TYR B 25 9.287 3.169 -8.282 1.00 0.00 H new ATOM 750 N LEU B 26 1.938 -2.121 -6.744 1.00 0.00 N ATOM 751 CA LEU B 26 1.094 -3.283 -6.493 1.00 0.00 C ATOM 752 C LEU B 26 1.444 -4.362 -7.503 1.00 0.00 C ATOM 753 O LEU B 26 1.585 -4.062 -8.686 1.00 0.00 O ATOM 754 CB LEU B 26 -0.396 -2.944 -6.623 1.00 0.00 C ATOM 755 CG LEU B 26 -0.960 -1.982 -5.577 1.00 0.00 C ATOM 756 CD1 LEU B 26 -2.478 -2.067 -5.539 1.00 0.00 C ATOM 757 CD2 LEU B 26 -0.390 -2.279 -4.212 1.00 0.00 C ATOM 0 H LEU B 26 1.560 -1.466 -7.428 1.00 0.00 H new ATOM 0 HA LEU B 26 1.273 -3.623 -5.473 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -0.565 -2.515 -7.611 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -0.965 -3.873 -6.577 1.00 0.00 H new ATOM 0 HG LEU B 26 -0.671 -0.969 -5.859 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -2.862 -1.376 -4.789 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.882 -1.803 -6.517 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.779 -3.083 -5.284 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -0.806 -1.582 -3.485 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -0.646 -3.299 -3.925 1.00 0.00 H new ATOM 0 HD23 LEU B 26 0.694 -2.171 -4.239 1.00 0.00 H new ATOM 769 N MET B 27 1.586 -5.598 -7.048 1.00 0.00 N ATOM 770 CA MET B 27 1.926 -6.709 -7.934 1.00 0.00 C ATOM 771 C MET B 27 0.835 -7.774 -7.901 1.00 0.00 C ATOM 772 O MET B 27 -0.030 -7.745 -7.024 1.00 0.00 O ATOM 773 CB MET B 27 3.275 -7.310 -7.546 1.00 0.00 C ATOM 774 CG MET B 27 4.447 -6.377 -7.788 1.00 0.00 C ATOM 775 SD MET B 27 5.949 -6.912 -6.943 1.00 0.00 S ATOM 776 CE MET B 27 7.066 -5.591 -7.397 1.00 0.00 C ATOM 0 H MET B 27 1.471 -5.860 -6.069 1.00 0.00 H new ATOM 0 HA MET B 27 2.001 -6.326 -8.952 1.00 0.00 H new ATOM 0 HB2 MET B 27 3.251 -7.584 -6.491 1.00 0.00 H new ATOM 0 HB3 MET B 27 3.430 -8.229 -8.111 1.00 0.00 H new ATOM 0 HG2 MET B 27 4.640 -6.313 -8.859 1.00 0.00 H new ATOM 0 HG3 MET B 27 4.183 -5.374 -7.452 1.00 0.00 H new ATOM 0 HE1 MET B 27 8.004 -5.705 -6.854 1.00 0.00 H new ATOM 0 HE2 MET B 27 7.260 -5.631 -8.469 1.00 0.00 H new ATOM 0 HE3 MET B 27 6.615 -4.631 -7.145 1.00 0.00 H new ATOM 786 N ALA B 28 0.934 -8.744 -8.812 1.00 0.00 N ATOM 787 CA ALA B 28 -0.074 -9.802 -8.968 1.00 0.00 C ATOM 788 C ALA B 28 -0.551 -10.403 -7.648 1.00 0.00 C ATOM 789 O ALA B 28 -1.755 -10.451 -7.388 1.00 0.00 O ATOM 790 CB ALA B 28 0.468 -10.900 -9.868 1.00 0.00 C ATOM 0 H ALA B 28 1.715 -8.821 -9.464 1.00 0.00 H new ATOM 0 HA ALA B 28 -0.946 -9.329 -9.420 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -0.283 -11.682 -9.981 1.00 0.00 H new ATOM 0 HB2 ALA B 28 0.708 -10.483 -10.846 1.00 0.00 H new ATOM 0 HB3 ALA B 28 1.369 -11.323 -9.424 1.00 0.00 H new ATOM 796 N GLU B 29 0.372 -10.852 -6.812 1.00 0.00 N ATOM 797 CA GLU B 29 -0.011 -11.439 -5.534 1.00 0.00 C ATOM 798 C GLU B 29 0.799 -10.835 -4.399 1.00 0.00 C ATOM 799 O GLU B 29 0.882 -11.410 -3.309 1.00 0.00 O ATOM 800 CB GLU B 29 0.185 -12.961 -5.536 1.00 0.00 C ATOM 801 CG GLU B 29 -0.030 -13.627 -6.887 1.00 0.00 C ATOM 802 CD GLU B 29 1.202 -14.374 -7.348 1.00 0.00 C ATOM 803 OE1 GLU B 29 1.573 -15.374 -6.698 1.00 0.00 O ATOM 804 OE2 GLU B 29 1.835 -13.933 -8.326 1.00 0.00 O ATOM 0 H GLU B 29 1.376 -10.823 -6.989 1.00 0.00 H new ATOM 0 HA GLU B 29 -1.068 -11.220 -5.384 1.00 0.00 H new ATOM 0 HB2 GLU B 29 1.195 -13.184 -5.193 1.00 0.00 H new ATOM 0 HB3 GLU B 29 -0.502 -13.403 -4.815 1.00 0.00 H new ATOM 0 HG2 GLU B 29 -0.871 -14.318 -6.822 1.00 0.00 H new ATOM 0 HG3 GLU B 29 -0.295 -12.871 -7.627 1.00 0.00 H new ATOM 811 N ARG B 30 1.365 -9.658 -4.624 1.00 0.00 N ATOM 812 CA ARG B 30 2.188 -9.034 -3.596 1.00 0.00 C ATOM 813 C ARG B 30 2.236 -7.521 -3.742 1.00 0.00 C ATOM 814 O ARG B 30 1.956 -6.981 -4.801 1.00 0.00 O ATOM 815 CB ARG B 30 3.606 -9.612 -3.652 1.00 0.00 C ATOM 816 CG ARG B 30 4.208 -9.600 -5.051 1.00 0.00 C ATOM 817 CD ARG B 30 5.160 -10.766 -5.276 1.00 0.00 C ATOM 818 NE ARG B 30 4.566 -12.053 -4.905 1.00 0.00 N ATOM 819 CZ ARG B 30 3.899 -12.850 -5.749 1.00 0.00 C ATOM 820 NH1 ARG B 30 3.674 -12.479 -7.002 1.00 0.00 N ATOM 821 NH2 ARG B 30 3.437 -14.018 -5.322 1.00 0.00 N ATOM 0 H ARG B 30 1.274 -9.125 -5.489 1.00 0.00 H new ATOM 0 HA ARG B 30 1.735 -9.253 -2.629 1.00 0.00 H new ATOM 0 HB2 ARG B 30 4.250 -9.042 -2.982 1.00 0.00 H new ATOM 0 HB3 ARG B 30 3.588 -10.637 -3.281 1.00 0.00 H new ATOM 0 HG2 ARG B 30 3.407 -9.639 -5.790 1.00 0.00 H new ATOM 0 HG3 ARG B 30 4.741 -8.662 -5.208 1.00 0.00 H new ATOM 0 HD2 ARG B 30 5.454 -10.794 -6.325 1.00 0.00 H new ATOM 0 HD3 ARG B 30 6.068 -10.607 -4.695 1.00 0.00 H new ATOM 0 HE ARG B 30 4.668 -12.363 -3.938 1.00 0.00 H new ATOM 0 HH11 ARG B 30 4.011 -11.575 -7.335 1.00 0.00 H new ATOM 0 HH12 ARG B 30 3.164 -13.097 -7.633 1.00 0.00 H new ATOM 0 HH21 ARG B 30 3.591 -14.305 -4.355 1.00 0.00 H new ATOM 0 HH22 ARG B 30 2.928 -14.629 -5.960 1.00 0.00 H new ATOM 835 N ILE B 31 2.569 -6.849 -2.656 1.00 0.00 N ATOM 836 CA ILE B 31 2.686 -5.402 -2.651 1.00 0.00 C ATOM 837 C ILE B 31 4.131 -5.029 -2.349 1.00 0.00 C ATOM 838 O ILE B 31 4.770 -5.648 -1.495 1.00 0.00 O ATOM 839 CB ILE B 31 1.726 -4.749 -1.622 1.00 0.00 C ATOM 840 CG1 ILE B 31 1.929 -3.233 -1.575 1.00 0.00 C ATOM 841 CG2 ILE B 31 1.912 -5.355 -0.239 1.00 0.00 C ATOM 842 CD1 ILE B 31 0.881 -2.511 -0.755 1.00 0.00 C ATOM 0 H ILE B 31 2.765 -7.288 -1.756 1.00 0.00 H new ATOM 0 HA ILE B 31 2.400 -5.024 -3.633 1.00 0.00 H new ATOM 0 HB ILE B 31 0.705 -4.949 -1.945 1.00 0.00 H new ATOM 0 HG12 ILE B 31 2.914 -3.019 -1.161 1.00 0.00 H new ATOM 0 HG13 ILE B 31 1.918 -2.841 -2.592 1.00 0.00 H new ATOM 0 HG21 ILE B 31 1.227 -4.879 0.462 1.00 0.00 H new ATOM 0 HG22 ILE B 31 1.705 -6.424 -0.279 1.00 0.00 H new ATOM 0 HG23 ILE B 31 2.938 -5.197 0.093 1.00 0.00 H new ATOM 0 HD11 ILE B 31 1.086 -1.440 -0.764 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -0.105 -2.696 -1.181 1.00 0.00 H new ATOM 0 HD13 ILE B 31 0.907 -2.876 0.272 1.00 0.00 H new ATOM 854 N ALA B 32 4.661 -4.051 -3.063 1.00 0.00 N ATOM 855 CA ALA B 32 6.037 -3.641 -2.865 1.00 0.00 C ATOM 856 C ALA B 32 6.175 -2.128 -2.839 1.00 0.00 C ATOM 857 O ALA B 32 5.327 -1.405 -3.357 1.00 0.00 O ATOM 858 CB ALA B 32 6.915 -4.233 -3.953 1.00 0.00 C ATOM 0 H ALA B 32 4.160 -3.529 -3.782 1.00 0.00 H new ATOM 0 HA ALA B 32 6.362 -4.016 -1.895 1.00 0.00 H new ATOM 0 HB1 ALA B 32 7.948 -3.920 -3.798 1.00 0.00 H new ATOM 0 HB2 ALA B 32 6.856 -5.321 -3.917 1.00 0.00 H new ATOM 0 HB3 ALA B 32 6.573 -3.883 -4.927 1.00 0.00 H new ATOM 864 N TRP B 33 7.252 -1.656 -2.234 1.00 0.00 N ATOM 865 CA TRP B 33 7.513 -0.231 -2.145 1.00 0.00 C ATOM 866 C TRP B 33 9.014 0.032 -2.256 1.00 0.00 C ATOM 867 O TRP B 33 9.831 -0.779 -1.805 1.00 0.00 O ATOM 868 CB TRP B 33 6.953 0.340 -0.835 1.00 0.00 C ATOM 869 CG TRP B 33 7.074 1.825 -0.748 1.00 0.00 C ATOM 870 CD1 TRP B 33 6.161 2.751 -1.158 1.00 0.00 C ATOM 871 CD2 TRP B 33 8.184 2.557 -0.231 1.00 0.00 C ATOM 872 NE1 TRP B 33 6.650 4.012 -0.946 1.00 0.00 N ATOM 873 CE2 TRP B 33 7.886 3.918 -0.376 1.00 0.00 C ATOM 874 CE3 TRP B 33 9.404 2.191 0.336 1.00 0.00 C ATOM 875 CZ2 TRP B 33 8.762 4.915 0.019 1.00 0.00 C ATOM 876 CZ3 TRP B 33 10.272 3.183 0.732 1.00 0.00 C ATOM 877 CH2 TRP B 33 9.951 4.534 0.570 1.00 0.00 C ATOM 0 H TRP B 33 7.962 -2.243 -1.796 1.00 0.00 H new ATOM 0 HA TRP B 33 7.010 0.272 -2.971 1.00 0.00 H new ATOM 0 HB2 TRP B 33 5.904 0.060 -0.742 1.00 0.00 H new ATOM 0 HB3 TRP B 33 7.479 -0.112 0.006 1.00 0.00 H new ATOM 0 HD1 TRP B 33 5.196 2.524 -1.586 1.00 0.00 H new ATOM 0 HE1 TRP B 33 6.168 4.881 -1.177 1.00 0.00 H new ATOM 0 HE3 TRP B 33 9.663 1.150 0.462 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 8.513 5.959 -0.105 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 11.219 2.913 1.176 1.00 0.00 H new ATOM 0 HH2 TRP B 33 10.656 5.289 0.886 1.00 0.00 H new ATOM 888 N ALA B 34 9.365 1.163 -2.861 1.00 0.00 N ATOM 889 CA ALA B 34 10.756 1.548 -3.057 1.00 0.00 C ATOM 890 C ALA B 34 10.906 3.062 -2.951 1.00 0.00 C ATOM 891 O ALA B 34 10.102 3.803 -3.521 1.00 0.00 O ATOM 892 CB ALA B 34 11.266 1.057 -4.407 1.00 0.00 C ATOM 0 H ALA B 34 8.693 1.837 -3.228 1.00 0.00 H new ATOM 0 HA ALA B 34 11.355 1.082 -2.275 1.00 0.00 H new ATOM 0 HB1 ALA B 34 12.307 1.355 -4.533 1.00 0.00 H new ATOM 0 HB2 ALA B 34 11.192 -0.030 -4.451 1.00 0.00 H new ATOM 0 HB3 ALA B 34 10.664 1.494 -5.204 1.00 0.00 H new ATOM 898 N PRO B 35 11.914 3.542 -2.204 1.00 0.00 N ATOM 899 CA PRO B 35 12.167 4.979 -2.038 1.00 0.00 C ATOM 900 C PRO B 35 12.548 5.631 -3.362 1.00 0.00 C ATOM 901 O PRO B 35 12.865 4.925 -4.325 1.00 0.00 O ATOM 902 CB PRO B 35 13.327 5.039 -1.045 1.00 0.00 C ATOM 903 CG PRO B 35 13.990 3.708 -1.140 1.00 0.00 C ATOM 904 CD PRO B 35 12.903 2.724 -1.480 1.00 0.00 C ATOM 0 HA PRO B 35 11.286 5.518 -1.689 1.00 0.00 H new ATOM 0 HB2 PRO B 35 14.019 5.843 -1.296 1.00 0.00 H new ATOM 0 HB3 PRO B 35 12.970 5.230 -0.033 1.00 0.00 H new ATOM 0 HG2 PRO B 35 14.765 3.713 -1.906 1.00 0.00 H new ATOM 0 HG3 PRO B 35 14.473 3.445 -0.199 1.00 0.00 H new ATOM 0 HD2 PRO B 35 13.279 1.908 -2.098 1.00 0.00 H new ATOM 0 HD3 PRO B 35 12.474 2.274 -0.585 1.00 0.00 H new ATOM 992 N PHE B 41 13.680 -2.649 -4.111 1.00 0.00 N ATOM 993 CA PHE B 41 12.437 -2.659 -3.357 1.00 0.00 C ATOM 994 C PHE B 41 12.740 -2.927 -1.890 1.00 0.00 C ATOM 995 O PHE B 41 13.317 -3.956 -1.546 1.00 0.00 O ATOM 996 CB PHE B 41 11.477 -3.721 -3.902 1.00 0.00 C ATOM 997 CG PHE B 41 10.995 -3.439 -5.298 1.00 0.00 C ATOM 998 CD1 PHE B 41 9.948 -2.560 -5.516 1.00 0.00 C ATOM 999 CD2 PHE B 41 11.587 -4.054 -6.390 1.00 0.00 C ATOM 1000 CE1 PHE B 41 9.499 -2.298 -6.798 1.00 0.00 C ATOM 1001 CE2 PHE B 41 11.143 -3.797 -7.674 1.00 0.00 C ATOM 1002 CZ PHE B 41 10.098 -2.918 -7.877 1.00 0.00 C ATOM 0 HA PHE B 41 11.955 -1.687 -3.458 1.00 0.00 H new ATOM 0 HB2 PHE B 41 11.975 -4.690 -3.888 1.00 0.00 H new ATOM 0 HB3 PHE B 41 10.616 -3.795 -3.238 1.00 0.00 H new ATOM 0 HD1 PHE B 41 9.476 -2.073 -4.675 1.00 0.00 H new ATOM 0 HD2 PHE B 41 12.405 -4.742 -6.236 1.00 0.00 H new ATOM 0 HE1 PHE B 41 8.682 -1.610 -6.955 1.00 0.00 H new ATOM 0 HE2 PHE B 41 11.613 -4.283 -8.516 1.00 0.00 H new ATOM 0 HZ PHE B 41 9.749 -2.715 -8.879 1.00 0.00 H new ATOM 1012 N THR B 42 12.359 -1.996 -1.033 1.00 0.00 N ATOM 1013 CA THR B 42 12.607 -2.122 0.394 1.00 0.00 C ATOM 1014 C THR B 42 11.438 -2.780 1.109 1.00 0.00 C ATOM 1015 O THR B 42 11.525 -3.116 2.289 1.00 0.00 O ATOM 1016 CB THR B 42 12.857 -0.739 1.015 1.00 0.00 C ATOM 1017 OG1 THR B 42 11.988 0.227 0.404 1.00 0.00 O ATOM 1018 CG2 THR B 42 14.301 -0.313 0.824 1.00 0.00 C ATOM 0 H THR B 42 11.874 -1.140 -1.302 1.00 0.00 H new ATOM 0 HA THR B 42 13.489 -2.751 0.515 1.00 0.00 H new ATOM 0 HB THR B 42 12.652 -0.799 2.084 1.00 0.00 H new ATOM 0 HG1 THR B 42 11.539 0.750 1.101 1.00 0.00 H new ATOM 0 HG21 THR B 42 14.453 0.669 1.272 1.00 0.00 H new ATOM 0 HG22 THR B 42 14.960 -1.037 1.303 1.00 0.00 H new ATOM 0 HG23 THR B 42 14.528 -0.265 -0.241 1.00 0.00 H new ATOM 1026 N ILE B 43 10.344 -2.952 0.391 1.00 0.00 N ATOM 1027 CA ILE B 43 9.152 -3.549 0.962 1.00 0.00 C ATOM 1028 C ILE B 43 8.533 -4.555 0.002 1.00 0.00 C ATOM 1029 O ILE B 43 8.380 -4.276 -1.185 1.00 0.00 O ATOM 1030 CB ILE B 43 8.123 -2.450 1.316 1.00 0.00 C ATOM 1031 CG1 ILE B 43 8.403 -1.889 2.711 1.00 0.00 C ATOM 1032 CG2 ILE B 43 6.691 -2.964 1.226 1.00 0.00 C ATOM 1033 CD1 ILE B 43 7.603 -0.646 3.029 1.00 0.00 C ATOM 0 H ILE B 43 10.256 -2.686 -0.590 1.00 0.00 H new ATOM 0 HA ILE B 43 9.438 -4.077 1.872 1.00 0.00 H new ATOM 0 HB ILE B 43 8.230 -1.650 0.583 1.00 0.00 H new ATOM 0 HG12 ILE B 43 8.181 -2.655 3.454 1.00 0.00 H new ATOM 0 HG13 ILE B 43 9.465 -1.660 2.796 1.00 0.00 H new ATOM 0 HG21 ILE B 43 6.000 -2.161 1.482 1.00 0.00 H new ATOM 0 HG22 ILE B 43 6.490 -3.306 0.211 1.00 0.00 H new ATOM 0 HG23 ILE B 43 6.558 -3.793 1.921 1.00 0.00 H new ATOM 0 HD11 ILE B 43 7.850 -0.301 4.033 1.00 0.00 H new ATOM 0 HD12 ILE B 43 7.843 0.135 2.308 1.00 0.00 H new ATOM 0 HD13 ILE B 43 6.539 -0.875 2.976 1.00 0.00 H new ATOM 1045 N SER B 44 8.232 -5.734 0.522 1.00 0.00 N ATOM 1046 CA SER B 44 7.604 -6.794 -0.242 1.00 0.00 C ATOM 1047 C SER B 44 6.709 -7.592 0.704 1.00 0.00 C ATOM 1048 O SER B 44 7.202 -8.192 1.660 1.00 0.00 O ATOM 1049 CB SER B 44 8.671 -7.692 -0.873 1.00 0.00 C ATOM 1050 OG SER B 44 8.127 -8.493 -1.908 1.00 0.00 O ATOM 0 H SER B 44 8.419 -5.982 1.494 1.00 0.00 H new ATOM 0 HA SER B 44 7.004 -6.377 -1.051 1.00 0.00 H new ATOM 0 HB2 SER B 44 9.477 -7.076 -1.273 1.00 0.00 H new ATOM 0 HB3 SER B 44 9.109 -8.332 -0.107 1.00 0.00 H new ATOM 0 HG SER B 44 8.833 -9.054 -2.293 1.00 0.00 H new ATOM 1056 N HIS B 45 5.404 -7.586 0.460 1.00 0.00 N ATOM 1057 CA HIS B 45 4.468 -8.280 1.319 1.00 0.00 C ATOM 1058 C HIS B 45 3.449 -8.992 0.464 1.00 0.00 C ATOM 1059 O HIS B 45 2.857 -8.397 -0.435 1.00 0.00 O ATOM 1060 CB HIS B 45 3.750 -7.303 2.268 1.00 0.00 C ATOM 1061 CG HIS B 45 4.664 -6.430 3.081 1.00 0.00 C ATOM 1062 ND1 HIS B 45 5.675 -6.910 3.885 1.00 0.00 N ATOM 1063 CD2 HIS B 45 4.710 -5.074 3.198 1.00 0.00 C ATOM 1064 CE1 HIS B 45 6.286 -5.862 4.452 1.00 0.00 C ATOM 1065 NE2 HIS B 45 5.741 -4.725 4.066 1.00 0.00 N ATOM 0 H HIS B 45 4.974 -7.105 -0.330 1.00 0.00 H new ATOM 0 HA HIS B 45 5.021 -8.997 1.926 1.00 0.00 H new ATOM 0 HB2 HIS B 45 3.090 -6.666 1.680 1.00 0.00 H new ATOM 0 HB3 HIS B 45 3.118 -7.876 2.947 1.00 0.00 H new ATOM 0 HD2 HIS B 45 4.051 -4.380 2.697 1.00 0.00 H new ATOM 0 HE1 HIS B 45 7.118 -5.938 5.137 1.00 0.00 H new ATOM 0 HE2 HIS B 45 6.018 -3.784 4.346 1.00 0.00 H new ATOM 1073 N MET B 46 3.265 -10.263 0.720 1.00 0.00 N ATOM 1074 CA MET B 46 2.306 -11.038 -0.023 1.00 0.00 C ATOM 1075 C MET B 46 0.919 -10.715 0.496 1.00 0.00 C ATOM 1076 O MET B 46 0.740 -10.480 1.688 1.00 0.00 O ATOM 1077 CB MET B 46 2.600 -12.525 0.143 1.00 0.00 C ATOM 1078 CG MET B 46 3.794 -13.018 -0.653 1.00 0.00 C ATOM 1079 SD MET B 46 3.349 -13.597 -2.302 1.00 0.00 S ATOM 1080 CE MET B 46 2.349 -15.032 -1.905 1.00 0.00 C ATOM 0 H MET B 46 3.768 -10.783 1.439 1.00 0.00 H new ATOM 0 HA MET B 46 2.367 -10.793 -1.083 1.00 0.00 H new ATOM 0 HB2 MET B 46 2.771 -12.734 1.199 1.00 0.00 H new ATOM 0 HB3 MET B 46 1.719 -13.093 -0.156 1.00 0.00 H new ATOM 0 HG2 MET B 46 4.523 -12.212 -0.741 1.00 0.00 H new ATOM 0 HG3 MET B 46 4.278 -13.828 -0.108 1.00 0.00 H new ATOM 0 HE1 MET B 46 2.412 -15.755 -2.718 1.00 0.00 H new ATOM 0 HE2 MET B 46 2.715 -15.488 -0.985 1.00 0.00 H new ATOM 0 HE3 MET B 46 1.311 -14.726 -1.770 1.00 0.00 H new ATOM 1090 N TYR B 47 -0.053 -10.668 -0.397 1.00 0.00 N ATOM 1091 CA TYR B 47 -1.435 -10.377 -0.004 1.00 0.00 C ATOM 1092 C TYR B 47 -1.970 -11.395 1.010 1.00 0.00 C ATOM 1093 O TYR B 47 -3.022 -11.187 1.609 1.00 0.00 O ATOM 1094 CB TYR B 47 -2.356 -10.330 -1.224 1.00 0.00 C ATOM 1095 CG TYR B 47 -2.002 -9.253 -2.224 1.00 0.00 C ATOM 1096 CD1 TYR B 47 -1.514 -8.021 -1.810 1.00 0.00 C ATOM 1097 CD2 TYR B 47 -2.160 -9.469 -3.584 1.00 0.00 C ATOM 1098 CE1 TYR B 47 -1.194 -7.039 -2.724 1.00 0.00 C ATOM 1099 CE2 TYR B 47 -1.841 -8.491 -4.504 1.00 0.00 C ATOM 1100 CZ TYR B 47 -1.359 -7.278 -4.068 1.00 0.00 C ATOM 1101 OH TYR B 47 -1.039 -6.301 -4.982 1.00 0.00 O ATOM 0 H TYR B 47 0.080 -10.826 -1.396 1.00 0.00 H new ATOM 0 HA TYR B 47 -1.425 -9.397 0.473 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -2.328 -11.298 -1.724 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -3.381 -10.175 -0.886 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -1.383 -7.829 -0.755 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -2.539 -10.419 -3.930 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -0.815 -6.086 -2.385 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -1.969 -8.677 -5.560 1.00 0.00 H new ATOM 0 HH TYR B 47 -0.596 -6.709 -5.755 1.00 0.00 H new ATOM 1111 N ALA B 48 -1.252 -12.495 1.196 1.00 0.00 N ATOM 1112 CA ALA B 48 -1.662 -13.516 2.150 1.00 0.00 C ATOM 1113 C ALA B 48 -1.088 -13.222 3.530 1.00 0.00 C ATOM 1114 O ALA B 48 -1.585 -13.726 4.537 1.00 0.00 O ATOM 1115 CB ALA B 48 -1.234 -14.896 1.685 1.00 0.00 C ATOM 0 H ALA B 48 -0.385 -12.702 0.700 1.00 0.00 H new ATOM 0 HA ALA B 48 -2.750 -13.499 2.214 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -1.552 -15.641 2.415 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -1.693 -15.114 0.721 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -0.149 -14.926 1.585 1.00 0.00 H new ATOM 1121 N ASP B 49 -0.039 -12.403 3.571 1.00 0.00 N ATOM 1122 CA ASP B 49 0.596 -12.039 4.833 1.00 0.00 C ATOM 1123 C ASP B 49 -0.093 -10.817 5.410 1.00 0.00 C ATOM 1124 O ASP B 49 0.208 -10.383 6.522 1.00 0.00 O ATOM 1125 CB ASP B 49 2.096 -11.725 4.674 1.00 0.00 C ATOM 1126 CG ASP B 49 2.788 -12.488 3.560 1.00 0.00 C ATOM 1127 OD1 ASP B 49 2.460 -13.671 3.335 1.00 0.00 O ATOM 1128 OD2 ASP B 49 3.671 -11.890 2.903 1.00 0.00 O ATOM 0 H ASP B 49 0.387 -11.980 2.746 1.00 0.00 H new ATOM 0 HA ASP B 49 0.501 -12.898 5.497 1.00 0.00 H new ATOM 0 HB2 ASP B 49 2.212 -10.657 4.491 1.00 0.00 H new ATOM 0 HB3 ASP B 49 2.601 -11.944 5.615 1.00 0.00 H new ATOM 1133 N ILE B 50 -1.006 -10.255 4.636 1.00 0.00 N ATOM 1134 CA ILE B 50 -1.757 -9.088 5.061 1.00 0.00 C ATOM 1135 C ILE B 50 -3.021 -9.529 5.783 1.00 0.00 C ATOM 1136 O ILE B 50 -3.982 -9.991 5.168 1.00 0.00 O ATOM 1137 CB ILE B 50 -2.128 -8.193 3.873 1.00 0.00 C ATOM 1138 CG1 ILE B 50 -0.876 -7.809 3.081 1.00 0.00 C ATOM 1139 CG2 ILE B 50 -2.864 -6.950 4.354 1.00 0.00 C ATOM 1140 CD1 ILE B 50 -1.172 -7.020 1.824 1.00 0.00 C ATOM 0 H ILE B 50 -1.245 -10.592 3.703 1.00 0.00 H new ATOM 0 HA ILE B 50 -1.126 -8.508 5.735 1.00 0.00 H new ATOM 0 HB ILE B 50 -2.792 -8.750 3.212 1.00 0.00 H new ATOM 0 HG12 ILE B 50 -0.217 -7.222 3.721 1.00 0.00 H new ATOM 0 HG13 ILE B 50 -0.334 -8.716 2.812 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -3.120 -6.325 3.499 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -3.775 -7.245 4.874 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -2.224 -6.389 5.035 1.00 0.00 H new ATOM 0 HD11 ILE B 50 -0.238 -6.783 1.315 1.00 0.00 H new ATOM 0 HD12 ILE B 50 -1.805 -7.612 1.163 1.00 0.00 H new ATOM 0 HD13 ILE B 50 -1.686 -6.096 2.087 1.00 0.00 H new ATOM 1152 N LYS B 51 -3.003 -9.369 7.089 1.00 0.00 N ATOM 1153 CA LYS B 51 -4.104 -9.768 7.947 1.00 0.00 C ATOM 1154 C LYS B 51 -5.284 -8.800 7.848 1.00 0.00 C ATOM 1155 O LYS B 51 -6.437 -9.231 7.810 1.00 0.00 O ATOM 1156 CB LYS B 51 -3.573 -9.872 9.379 1.00 0.00 C ATOM 1157 CG LYS B 51 -4.627 -9.944 10.459 1.00 0.00 C ATOM 1158 CD LYS B 51 -3.994 -9.757 11.827 1.00 0.00 C ATOM 1159 CE LYS B 51 -3.575 -11.084 12.438 1.00 0.00 C ATOM 1160 NZ LYS B 51 -3.021 -10.925 13.810 1.00 0.00 N ATOM 0 H LYS B 51 -2.218 -8.955 7.592 1.00 0.00 H new ATOM 0 HA LYS B 51 -4.489 -10.736 7.625 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -2.943 -10.758 9.451 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -2.935 -9.010 9.575 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -5.382 -9.175 10.292 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -5.137 -10.906 10.415 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -3.124 -9.106 11.740 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -4.701 -9.258 12.490 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -4.434 -11.754 12.471 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -2.828 -11.556 11.799 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -2.749 -11.856 14.185 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -2.185 -10.308 13.777 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -3.741 -10.500 14.428 1.00 0.00 H new ATOM 1174 N CYS B 52 -5.000 -7.503 7.787 1.00 0.00 N ATOM 1175 CA CYS B 52 -6.063 -6.496 7.690 1.00 0.00 C ATOM 1176 C CYS B 52 -5.553 -5.219 7.022 1.00 0.00 C ATOM 1177 O CYS B 52 -4.348 -5.059 6.838 1.00 0.00 O ATOM 1178 CB CYS B 52 -6.629 -6.174 9.080 1.00 0.00 C ATOM 1179 SG CYS B 52 -5.649 -6.793 10.466 1.00 0.00 S ATOM 0 H CYS B 52 -4.054 -7.122 7.802 1.00 0.00 H new ATOM 0 HA CYS B 52 -6.859 -6.911 7.072 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -6.723 -5.092 9.176 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -7.634 -6.589 9.151 1.00 0.00 H new ATOM 0 HG CYS B 52 -6.221 -6.460 11.585 1.00 0.00 H new ATOM 1185 N GLN B 53 -6.459 -4.308 6.648 1.00 0.00 N ATOM 1186 CA GLN B 53 -6.055 -3.064 6.012 1.00 0.00 C ATOM 1187 C GLN B 53 -6.882 -1.906 6.532 1.00 0.00 C ATOM 1188 O GLN B 53 -8.092 -2.031 6.726 1.00 0.00 O ATOM 1189 CB GLN B 53 -6.186 -3.150 4.487 1.00 0.00 C ATOM 1190 CG GLN B 53 -7.613 -3.289 3.976 1.00 0.00 C ATOM 1191 CD GLN B 53 -7.704 -3.124 2.470 1.00 0.00 C ATOM 1192 OE1 GLN B 53 -6.781 -3.477 1.739 1.00 0.00 O ATOM 1193 NE2 GLN B 53 -8.812 -2.578 1.994 1.00 0.00 N ATOM 0 H GLN B 53 -7.465 -4.413 6.776 1.00 0.00 H new ATOM 0 HA GLN B 53 -5.007 -2.894 6.259 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -5.743 -2.256 4.047 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -5.604 -4.001 4.134 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -8.003 -4.267 4.256 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -8.244 -2.543 4.460 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -9.557 -2.297 2.632 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -8.921 -2.438 0.990 1.00 0.00 H new ATOM 1202 N LYS B 54 -6.223 -0.792 6.790 1.00 0.00 N ATOM 1203 CA LYS B 54 -6.908 0.392 7.248 1.00 0.00 C ATOM 1204 C LYS B 54 -6.680 1.501 6.249 1.00 0.00 C ATOM 1205 O LYS B 54 -5.758 1.431 5.435 1.00 0.00 O ATOM 1206 CB LYS B 54 -6.388 0.927 8.574 1.00 0.00 C ATOM 1207 CG LYS B 54 -5.791 -0.045 9.563 1.00 0.00 C ATOM 1208 CD LYS B 54 -5.466 0.736 10.828 1.00 0.00 C ATOM 1209 CE LYS B 54 -5.879 0.042 12.110 1.00 0.00 C ATOM 1210 NZ LYS B 54 -6.426 1.002 13.103 1.00 0.00 N ATOM 0 H LYS B 54 -5.214 -0.687 6.689 1.00 0.00 H new ATOM 0 HA LYS B 54 -7.953 0.105 7.364 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -5.632 1.680 8.353 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -7.212 1.439 9.070 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -6.491 -0.852 9.779 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -4.891 -0.505 9.154 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -4.393 0.924 10.860 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -5.959 1.707 10.779 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -6.628 -0.718 11.887 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -5.019 -0.474 12.538 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -6.666 0.496 13.979 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -5.714 1.732 13.309 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -7.281 1.451 12.717 1.00 0.00 H new ATOM 1224 N ILE B 55 -7.482 2.545 6.338 1.00 0.00 N ATOM 1225 CA ILE B 55 -7.309 3.696 5.446 1.00 0.00 C ATOM 1226 C ILE B 55 -7.463 5.022 6.206 1.00 0.00 C ATOM 1227 O ILE B 55 -8.463 5.253 6.885 1.00 0.00 O ATOM 1228 CB ILE B 55 -8.242 3.648 4.206 1.00 0.00 C ATOM 1229 CG1 ILE B 55 -9.680 4.022 4.532 1.00 0.00 C ATOM 1230 CG2 ILE B 55 -8.218 2.266 3.576 1.00 0.00 C ATOM 1231 CD1 ILE B 55 -10.571 3.964 3.314 1.00 0.00 C ATOM 0 H ILE B 55 -8.250 2.629 7.004 1.00 0.00 H new ATOM 0 HA ILE B 55 -6.289 3.637 5.067 1.00 0.00 H new ATOM 0 HB ILE B 55 -7.857 4.389 3.506 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -10.066 3.347 5.296 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -9.706 5.027 4.953 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -8.877 2.250 2.708 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -7.202 2.026 3.264 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -8.558 1.529 4.303 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -11.588 4.239 3.594 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -10.202 4.659 2.560 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -10.567 2.952 2.908 1.00 0.00 H new ATOM 1243 N SER B 56 -6.416 5.857 6.154 1.00 0.00 N ATOM 1244 CA SER B 56 -6.426 7.151 6.831 1.00 0.00 C ATOM 1245 C SER B 56 -7.127 8.212 6.003 1.00 0.00 C ATOM 1246 O SER B 56 -6.679 8.536 4.889 1.00 0.00 O ATOM 1247 CB SER B 56 -5.015 7.622 7.132 1.00 0.00 C ATOM 1248 OG SER B 56 -4.582 7.176 8.401 1.00 0.00 O ATOM 0 H SER B 56 -5.553 5.655 5.649 1.00 0.00 H new ATOM 0 HA SER B 56 -6.972 7.009 7.764 1.00 0.00 H new ATOM 0 HB2 SER B 56 -4.335 7.253 6.364 1.00 0.00 H new ATOM 0 HB3 SER B 56 -4.978 8.711 7.095 1.00 0.00 H new ATOM 0 HG SER B 56 -4.559 6.196 8.413 1.00 0.00 H new ATOM 1254 N PRO B 57 -8.181 8.801 6.604 1.00 0.00 N ATOM 1255 CA PRO B 57 -9.033 9.831 5.991 1.00 0.00 C ATOM 1256 C PRO B 57 -8.323 11.151 5.725 1.00 0.00 C ATOM 1257 O PRO B 57 -7.180 11.360 6.133 1.00 0.00 O ATOM 1258 CB PRO B 57 -10.105 10.086 7.047 1.00 0.00 C ATOM 1259 CG PRO B 57 -9.462 9.698 8.326 1.00 0.00 C ATOM 1260 CD PRO B 57 -8.612 8.515 7.986 1.00 0.00 C ATOM 0 HA PRO B 57 -9.390 9.484 5.021 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -10.412 11.132 7.058 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -11.000 9.493 6.856 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -8.861 10.513 8.729 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -10.206 9.446 9.082 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -7.762 8.421 8.662 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -9.174 7.583 8.049 1.00 0.00 H new ATOM 1268 N GLU B 58 -9.036 12.035 5.043 1.00 0.00 N ATOM 1269 CA GLU B 58 -8.541 13.362 4.744 1.00 0.00 C ATOM 1270 C GLU B 58 -8.732 14.255 5.963 1.00 0.00 C ATOM 1271 O GLU B 58 -9.584 13.981 6.812 1.00 0.00 O ATOM 1272 CB GLU B 58 -9.279 13.950 3.540 1.00 0.00 C ATOM 1273 CG GLU B 58 -8.458 13.943 2.264 1.00 0.00 C ATOM 1274 CD GLU B 58 -7.315 14.942 2.299 1.00 0.00 C ATOM 1275 OE1 GLU B 58 -6.839 15.269 3.409 1.00 0.00 O ATOM 1276 OE2 GLU B 58 -6.898 15.396 1.216 1.00 0.00 O ATOM 0 H GLU B 58 -9.972 11.849 4.684 1.00 0.00 H new ATOM 0 HA GLU B 58 -7.481 13.302 4.499 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -10.197 13.385 3.375 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -9.572 14.975 3.768 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -8.057 12.943 2.100 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -9.107 14.169 1.418 1.00 0.00 H new ATOM 1283 N GLY B 59 -7.941 15.307 6.055 1.00 0.00 N ATOM 1284 CA GLY B 59 -8.039 16.207 7.188 1.00 0.00 C ATOM 1285 C GLY B 59 -6.689 16.460 7.813 1.00 0.00 C ATOM 1286 O GLY B 59 -6.464 17.487 8.452 1.00 0.00 O ATOM 0 H GLY B 59 -7.231 15.558 5.367 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -8.475 17.153 6.866 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -8.712 15.783 7.933 1.00 0.00 H new ATOM 1290 N LYS B 60 -5.792 15.502 7.642 1.00 0.00 N ATOM 1291 CA LYS B 60 -4.439 15.621 8.155 1.00 0.00 C ATOM 1292 C LYS B 60 -3.573 16.333 7.135 1.00 0.00 C ATOM 1293 O LYS B 60 -4.054 16.773 6.096 1.00 0.00 O ATOM 1294 CB LYS B 60 -3.822 14.245 8.430 1.00 0.00 C ATOM 1295 CG LYS B 60 -4.026 13.705 9.835 1.00 0.00 C ATOM 1296 CD LYS B 60 -2.758 13.006 10.311 1.00 0.00 C ATOM 1297 CE LYS B 60 -3.031 11.970 11.388 1.00 0.00 C ATOM 1298 NZ LYS B 60 -3.245 12.582 12.727 1.00 0.00 N ATOM 0 H LYS B 60 -5.979 14.629 7.149 1.00 0.00 H new ATOM 0 HA LYS B 60 -4.485 16.183 9.088 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -4.240 13.531 7.721 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -2.751 14.300 8.233 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -4.279 14.519 10.514 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -4.863 13.007 9.848 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -2.273 12.523 9.462 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -2.060 13.750 10.696 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -3.911 11.388 11.113 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -2.193 11.275 11.440 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -3.624 11.866 13.379 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -2.340 12.940 13.094 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -3.921 13.368 12.645 1.00 0.00 H new ATOM 1312 N ALA B 61 -2.293 16.437 7.433 1.00 0.00 N ATOM 1313 CA ALA B 61 -1.356 17.048 6.512 1.00 0.00 C ATOM 1314 C ALA B 61 -0.795 15.963 5.604 1.00 0.00 C ATOM 1315 O ALA B 61 0.147 16.187 4.846 1.00 0.00 O ATOM 1316 CB ALA B 61 -0.242 17.755 7.270 1.00 0.00 C ATOM 0 H ALA B 61 -1.879 16.107 8.305 1.00 0.00 H new ATOM 0 HA ALA B 61 -1.865 17.800 5.909 1.00 0.00 H new ATOM 0 HB1 ALA B 61 0.451 18.207 6.560 1.00 0.00 H new ATOM 0 HB2 ALA B 61 -0.669 18.531 7.905 1.00 0.00 H new ATOM 0 HB3 ALA B 61 0.292 17.034 7.889 1.00 0.00 H new ATOM 1322 N LYS B 62 -1.400 14.778 5.703 1.00 0.00 N ATOM 1323 CA LYS B 62 -0.989 13.624 4.929 1.00 0.00 C ATOM 1324 C LYS B 62 -2.099 12.559 4.914 1.00 0.00 C ATOM 1325 O LYS B 62 -2.781 12.347 5.922 1.00 0.00 O ATOM 1326 CB LYS B 62 0.314 13.050 5.505 1.00 0.00 C ATOM 1327 CG LYS B 62 0.390 13.032 7.030 1.00 0.00 C ATOM 1328 CD LYS B 62 1.746 12.522 7.511 1.00 0.00 C ATOM 1329 CE LYS B 62 1.660 11.886 8.893 1.00 0.00 C ATOM 1330 NZ LYS B 62 2.969 11.327 9.334 1.00 0.00 N ATOM 0 H LYS B 62 -2.189 14.600 6.325 1.00 0.00 H new ATOM 0 HA LYS B 62 -0.809 13.933 3.899 1.00 0.00 H new ATOM 0 HB2 LYS B 62 0.439 12.031 5.138 1.00 0.00 H new ATOM 0 HB3 LYS B 62 1.151 13.632 5.121 1.00 0.00 H new ATOM 0 HG2 LYS B 62 0.219 14.037 7.417 1.00 0.00 H new ATOM 0 HG3 LYS B 62 -0.402 12.398 7.428 1.00 0.00 H new ATOM 0 HD2 LYS B 62 2.132 11.792 6.799 1.00 0.00 H new ATOM 0 HD3 LYS B 62 2.456 13.349 7.536 1.00 0.00 H new ATOM 0 HE2 LYS B 62 1.323 12.631 9.614 1.00 0.00 H new ATOM 0 HE3 LYS B 62 0.913 11.092 8.881 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 2.865 10.904 10.279 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 3.280 10.598 8.661 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 3.677 12.088 9.371 1.00 0.00 H new ATOM 1344 N ILE B 63 -2.282 11.917 3.760 1.00 0.00 N ATOM 1345 CA ILE B 63 -3.294 10.866 3.576 1.00 0.00 C ATOM 1346 C ILE B 63 -2.607 9.500 3.637 1.00 0.00 C ATOM 1347 O ILE B 63 -1.509 9.356 3.096 1.00 0.00 O ATOM 1348 CB ILE B 63 -4.008 11.029 2.208 1.00 0.00 C ATOM 1349 CG1 ILE B 63 -4.778 12.351 2.152 1.00 0.00 C ATOM 1350 CG2 ILE B 63 -4.942 9.865 1.930 1.00 0.00 C ATOM 1351 CD1 ILE B 63 -3.996 13.484 1.519 1.00 0.00 C ATOM 0 H ILE B 63 -1.733 12.109 2.922 1.00 0.00 H new ATOM 0 HA ILE B 63 -4.040 10.946 4.366 1.00 0.00 H new ATOM 0 HB ILE B 63 -3.240 11.039 1.435 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -5.701 12.201 1.592 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -5.063 12.639 3.164 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -5.426 10.010 0.964 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -4.371 8.936 1.914 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -5.700 9.812 2.712 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -4.605 14.388 1.514 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -3.086 13.663 2.092 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -3.734 13.218 0.495 1.00 0.00 H new ATOM 1363 N GLN B 64 -3.223 8.478 4.259 1.00 0.00 N ATOM 1364 CA GLN B 64 -2.517 7.189 4.361 1.00 0.00 C ATOM 1365 C GLN B 64 -3.390 5.956 4.128 1.00 0.00 C ATOM 1366 O GLN B 64 -4.617 6.006 4.162 1.00 0.00 O ATOM 1367 CB GLN B 64 -1.834 7.023 5.729 1.00 0.00 C ATOM 1368 CG GLN B 64 -0.742 8.031 6.035 1.00 0.00 C ATOM 1369 CD GLN B 64 -1.268 9.321 6.625 1.00 0.00 C ATOM 1370 OE1 GLN B 64 -0.672 10.364 6.447 1.00 0.00 O ATOM 1371 NE2 GLN B 64 -2.373 9.257 7.353 1.00 0.00 N ATOM 0 H GLN B 64 -4.153 8.511 4.676 1.00 0.00 H new ATOM 0 HA GLN B 64 -1.785 7.237 3.555 1.00 0.00 H new ATOM 0 HB2 GLN B 64 -2.595 7.089 6.507 1.00 0.00 H new ATOM 0 HB3 GLN B 64 -1.407 6.022 5.784 1.00 0.00 H new ATOM 0 HG2 GLN B 64 -0.030 7.585 6.730 1.00 0.00 H new ATOM 0 HG3 GLN B 64 -0.196 8.255 5.118 1.00 0.00 H new ATOM 0 HE21 GLN B 64 -2.848 8.364 7.482 1.00 0.00 H new ATOM 0 HE22 GLN B 64 -2.749 10.101 7.785 1.00 0.00 H new ATOM 1380 N LEU B 65 -2.693 4.851 3.881 1.00 0.00 N ATOM 1381 CA LEU B 65 -3.274 3.528 3.682 1.00 0.00 C ATOM 1382 C LEU B 65 -2.352 2.521 4.371 1.00 0.00 C ATOM 1383 O LEU B 65 -1.193 2.420 3.999 1.00 0.00 O ATOM 1384 CB LEU B 65 -3.341 3.194 2.204 1.00 0.00 C ATOM 1385 CG LEU B 65 -4.354 2.122 1.833 1.00 0.00 C ATOM 1386 CD1 LEU B 65 -5.687 2.743 1.487 1.00 0.00 C ATOM 1387 CD2 LEU B 65 -3.816 1.272 0.699 1.00 0.00 C ATOM 0 H LEU B 65 -1.675 4.852 3.812 1.00 0.00 H new ATOM 0 HA LEU B 65 -4.284 3.498 4.091 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -3.578 4.103 1.652 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -2.354 2.869 1.875 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.516 1.471 2.692 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -6.397 1.958 1.225 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -6.063 3.300 2.345 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -5.565 3.419 0.641 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -4.547 0.507 0.439 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -3.626 1.902 -0.170 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -2.887 0.795 1.011 1.00 0.00 H new ATOM 1399 N GLN B 66 -2.830 1.771 5.352 1.00 0.00 N ATOM 1400 CA GLN B 66 -1.941 0.851 6.058 1.00 0.00 C ATOM 1401 C GLN B 66 -2.431 -0.582 6.031 1.00 0.00 C ATOM 1402 O GLN B 66 -3.631 -0.849 5.971 1.00 0.00 O ATOM 1403 CB GLN B 66 -1.722 1.292 7.511 1.00 0.00 C ATOM 1404 CG GLN B 66 -2.744 0.750 8.489 1.00 0.00 C ATOM 1405 CD GLN B 66 -2.140 0.405 9.834 1.00 0.00 C ATOM 1406 OE1 GLN B 66 -1.597 -0.680 10.015 1.00 0.00 O ATOM 1407 NE2 GLN B 66 -2.256 1.312 10.791 1.00 0.00 N ATOM 0 H GLN B 66 -3.798 1.776 5.673 1.00 0.00 H new ATOM 0 HA GLN B 66 -0.993 0.886 5.522 1.00 0.00 H new ATOM 0 HB2 GLN B 66 -0.729 0.975 7.829 1.00 0.00 H new ATOM 0 HB3 GLN B 66 -1.738 2.381 7.554 1.00 0.00 H new ATOM 0 HG2 GLN B 66 -3.534 1.488 8.629 1.00 0.00 H new ATOM 0 HG3 GLN B 66 -3.210 -0.140 8.066 1.00 0.00 H new ATOM 0 HE21 GLN B 66 -2.715 2.202 10.597 1.00 0.00 H new ATOM 0 HE22 GLN B 66 -1.886 1.121 11.722 1.00 0.00 H new ATOM 1416 N LEU B 67 -1.477 -1.494 6.079 1.00 0.00 N ATOM 1417 CA LEU B 67 -1.767 -2.910 6.072 1.00 0.00 C ATOM 1418 C LEU B 67 -1.222 -3.574 7.327 1.00 0.00 C ATOM 1419 O LEU B 67 -0.043 -3.440 7.652 1.00 0.00 O ATOM 1420 CB LEU B 67 -1.149 -3.567 4.837 1.00 0.00 C ATOM 1421 CG LEU B 67 -1.432 -2.849 3.522 1.00 0.00 C ATOM 1422 CD1 LEU B 67 -0.448 -3.289 2.454 1.00 0.00 C ATOM 1423 CD2 LEU B 67 -2.861 -3.106 3.072 1.00 0.00 C ATOM 0 H LEU B 67 -0.483 -1.271 6.124 1.00 0.00 H new ATOM 0 HA LEU B 67 -2.849 -3.037 6.047 1.00 0.00 H new ATOM 0 HB2 LEU B 67 -0.070 -3.628 4.977 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -1.519 -4.590 4.763 1.00 0.00 H new ATOM 0 HG LEU B 67 -1.310 -1.778 3.680 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -0.665 -2.767 1.522 1.00 0.00 H new ATOM 0 HD12 LEU B 67 0.567 -3.053 2.775 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -0.538 -4.364 2.297 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -3.046 -2.586 2.132 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -3.011 -4.176 2.930 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -3.553 -2.740 3.831 1.00 0.00 H new ATOM 1435 N VAL B 68 -2.097 -4.260 8.037 1.00 0.00 N ATOM 1436 CA VAL B 68 -1.720 -4.988 9.237 1.00 0.00 C ATOM 1437 C VAL B 68 -1.347 -6.391 8.813 1.00 0.00 C ATOM 1438 O VAL B 68 -2.189 -7.131 8.315 1.00 0.00 O ATOM 1439 CB VAL B 68 -2.868 -5.047 10.267 1.00 0.00 C ATOM 1440 CG1 VAL B 68 -2.425 -5.774 11.531 1.00 0.00 C ATOM 1441 CG2 VAL B 68 -3.369 -3.648 10.597 1.00 0.00 C ATOM 0 H VAL B 68 -3.087 -4.329 7.801 1.00 0.00 H new ATOM 0 HA VAL B 68 -0.887 -4.476 9.720 1.00 0.00 H new ATOM 0 HB VAL B 68 -3.691 -5.608 9.825 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -3.250 -5.803 12.242 1.00 0.00 H new ATOM 0 HG12 VAL B 68 -2.126 -6.792 11.280 1.00 0.00 H new ATOM 0 HG13 VAL B 68 -1.581 -5.248 11.976 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -4.178 -3.713 11.325 1.00 0.00 H new ATOM 0 HG22 VAL B 68 -2.553 -3.058 11.014 1.00 0.00 H new ATOM 0 HG23 VAL B 68 -3.736 -3.169 9.689 1.00 0.00 H new ATOM 1451 N LEU B 69 -0.093 -6.754 8.978 1.00 0.00 N ATOM 1452 CA LEU B 69 0.354 -8.064 8.546 1.00 0.00 C ATOM 1453 C LEU B 69 0.261 -9.098 9.660 1.00 0.00 C ATOM 1454 O LEU B 69 0.244 -8.759 10.843 1.00 0.00 O ATOM 1455 CB LEU B 69 1.779 -7.997 8.010 1.00 0.00 C ATOM 1456 CG LEU B 69 2.176 -6.665 7.369 1.00 0.00 C ATOM 1457 CD1 LEU B 69 3.670 -6.634 7.093 1.00 0.00 C ATOM 1458 CD2 LEU B 69 1.395 -6.426 6.085 1.00 0.00 C ATOM 0 H LEU B 69 0.628 -6.170 9.402 1.00 0.00 H new ATOM 0 HA LEU B 69 -0.314 -8.381 7.745 1.00 0.00 H new ATOM 0 HB2 LEU B 69 2.468 -8.207 8.829 1.00 0.00 H new ATOM 0 HB3 LEU B 69 1.910 -8.789 7.273 1.00 0.00 H new ATOM 0 HG LEU B 69 1.933 -5.866 8.069 1.00 0.00 H new ATOM 0 HD11 LEU B 69 3.936 -5.680 6.637 1.00 0.00 H new ATOM 0 HD12 LEU B 69 4.215 -6.754 8.029 1.00 0.00 H new ATOM 0 HD13 LEU B 69 3.932 -7.446 6.414 1.00 0.00 H new ATOM 0 HD21 LEU B 69 1.695 -5.473 5.649 1.00 0.00 H new ATOM 0 HD22 LEU B 69 1.602 -7.230 5.378 1.00 0.00 H new ATOM 0 HD23 LEU B 69 0.328 -6.403 6.307 1.00 0.00 H new ATOM 1470 N HIS B 70 0.207 -10.365 9.257 1.00 0.00 N ATOM 1471 CA HIS B 70 0.115 -11.489 10.197 1.00 0.00 C ATOM 1472 C HIS B 70 1.298 -11.519 11.159 1.00 0.00 C ATOM 1473 O HIS B 70 1.191 -12.040 12.265 1.00 0.00 O ATOM 1474 CB HIS B 70 0.056 -12.824 9.443 1.00 0.00 C ATOM 1475 CG HIS B 70 -1.193 -13.024 8.645 1.00 0.00 C ATOM 1476 ND1 HIS B 70 -1.802 -12.197 7.766 1.00 0.00 N flip ATOM 1477 CD2 HIS B 70 -1.958 -14.165 8.679 1.00 0.00 C flip ATOM 1478 CE1 HIS B 70 -2.933 -12.814 7.258 1.00 0.00 C flip ATOM 1479 NE2 HIS B 70 -2.982 -13.993 7.833 1.00 0.00 N flip ATOM 0 H HIS B 70 0.225 -10.645 8.276 1.00 0.00 H new ATOM 0 HA HIS B 70 -0.801 -11.347 10.771 1.00 0.00 H new ATOM 0 HB2 HIS B 70 0.915 -12.889 8.775 1.00 0.00 H new ATOM 0 HB3 HIS B 70 0.149 -13.638 10.161 1.00 0.00 H new ATOM 0 HD1 HIS B 70 -1.478 -11.263 7.516 1.00 0.00 H new ATOM 0 HD2 HIS B 70 -1.768 -15.042 9.280 1.00 0.00 H new ATOM 0 HE1 HIS B 70 -3.630 -12.409 6.539 1.00 0.00 H new ATOM 1487 N ALA B 71 2.420 -10.953 10.734 1.00 0.00 N ATOM 1488 CA ALA B 71 3.626 -10.927 11.556 1.00 0.00 C ATOM 1489 C ALA B 71 3.510 -9.924 12.702 1.00 0.00 C ATOM 1490 O ALA B 71 4.373 -9.868 13.574 1.00 0.00 O ATOM 1491 CB ALA B 71 4.839 -10.603 10.695 1.00 0.00 C ATOM 0 H ALA B 71 2.522 -10.505 9.823 1.00 0.00 H new ATOM 0 HA ALA B 71 3.748 -11.917 11.996 1.00 0.00 H new ATOM 0 HB1 ALA B 71 5.733 -10.586 11.318 1.00 0.00 H new ATOM 0 HB2 ALA B 71 4.950 -11.363 9.922 1.00 0.00 H new ATOM 0 HB3 ALA B 71 4.704 -9.627 10.228 1.00 0.00 H new ATOM 1497 N GLY B 72 2.444 -9.132 12.695 1.00 0.00 N ATOM 1498 CA GLY B 72 2.250 -8.144 13.739 1.00 0.00 C ATOM 1499 C GLY B 72 2.738 -6.778 13.313 1.00 0.00 C ATOM 1500 O GLY B 72 2.489 -5.780 13.986 1.00 0.00 O ATOM 0 H GLY B 72 1.711 -9.156 11.986 1.00 0.00 H new ATOM 0 HA2 GLY B 72 1.192 -8.089 13.996 1.00 0.00 H new ATOM 0 HA3 GLY B 72 2.781 -8.456 14.639 1.00 0.00 H new ATOM 1504 N ASP B 73 3.440 -6.744 12.190 1.00 0.00 N ATOM 1505 CA ASP B 73 3.970 -5.501 11.649 1.00 0.00 C ATOM 1506 C ASP B 73 2.882 -4.764 10.876 1.00 0.00 C ATOM 1507 O ASP B 73 1.943 -5.386 10.367 1.00 0.00 O ATOM 1508 CB ASP B 73 5.169 -5.788 10.740 1.00 0.00 C ATOM 1509 CG ASP B 73 5.715 -4.536 10.083 1.00 0.00 C ATOM 1510 OD1 ASP B 73 6.078 -3.593 10.817 1.00 0.00 O ATOM 1511 OD2 ASP B 73 5.769 -4.495 8.837 1.00 0.00 O ATOM 0 H ASP B 73 3.657 -7.570 11.632 1.00 0.00 H new ATOM 0 HA ASP B 73 4.304 -4.870 12.473 1.00 0.00 H new ATOM 0 HB2 ASP B 73 5.958 -6.261 11.324 1.00 0.00 H new ATOM 0 HB3 ASP B 73 4.874 -6.499 9.969 1.00 0.00 H new ATOM 1516 N THR B 74 3.000 -3.450 10.796 1.00 0.00 N ATOM 1517 CA THR B 74 2.023 -2.639 10.094 1.00 0.00 C ATOM 1518 C THR B 74 2.713 -1.687 9.128 1.00 0.00 C ATOM 1519 O THR B 74 3.665 -0.998 9.497 1.00 0.00 O ATOM 1520 CB THR B 74 1.174 -1.822 11.089 1.00 0.00 C ATOM 1521 OG1 THR B 74 2.034 -1.123 12.000 1.00 0.00 O ATOM 1522 CG2 THR B 74 0.228 -2.721 11.871 1.00 0.00 C ATOM 0 H THR B 74 3.767 -2.921 11.211 1.00 0.00 H new ATOM 0 HA THR B 74 1.372 -3.312 9.536 1.00 0.00 H new ATOM 0 HB THR B 74 0.578 -1.108 10.521 1.00 0.00 H new ATOM 0 HG1 THR B 74 2.833 -0.814 11.524 1.00 0.00 H new ATOM 0 HG21 THR B 74 -0.358 -2.117 12.564 1.00 0.00 H new ATOM 0 HG22 THR B 74 -0.442 -3.233 11.180 1.00 0.00 H new ATOM 0 HG23 THR B 74 0.805 -3.458 12.429 1.00 0.00 H new ATOM 1530 N THR B 75 2.223 -1.634 7.902 1.00 0.00 N ATOM 1531 CA THR B 75 2.801 -0.765 6.894 1.00 0.00 C ATOM 1532 C THR B 75 1.837 0.363 6.524 1.00 0.00 C ATOM 1533 O THR B 75 0.909 0.152 5.743 1.00 0.00 O ATOM 1534 CB THR B 75 3.145 -1.572 5.628 1.00 0.00 C ATOM 1535 OG1 THR B 75 3.254 -2.965 5.955 1.00 0.00 O ATOM 1536 CG2 THR B 75 4.449 -1.089 5.013 1.00 0.00 C ATOM 0 H THR B 75 1.426 -2.183 7.581 1.00 0.00 H new ATOM 0 HA THR B 75 3.710 -0.330 7.311 1.00 0.00 H new ATOM 0 HB THR B 75 2.345 -1.427 4.902 1.00 0.00 H new ATOM 0 HG1 THR B 75 3.471 -3.475 5.147 1.00 0.00 H new ATOM 0 HG21 THR B 75 4.669 -1.675 4.121 1.00 0.00 H new ATOM 0 HG22 THR B 75 4.356 -0.037 4.743 1.00 0.00 H new ATOM 0 HG23 THR B 75 5.258 -1.208 5.734 1.00 0.00 H new ATOM 1544 N ASN B 76 2.038 1.553 7.092 1.00 0.00 N ATOM 1545 CA ASN B 76 1.179 2.691 6.780 1.00 0.00 C ATOM 1546 C ASN B 76 1.800 3.475 5.631 1.00 0.00 C ATOM 1547 O ASN B 76 2.885 4.037 5.764 1.00 0.00 O ATOM 1548 CB ASN B 76 0.933 3.623 7.997 1.00 0.00 C ATOM 1549 CG ASN B 76 0.973 2.930 9.356 1.00 0.00 C ATOM 1550 OD1 ASN B 76 1.864 2.134 9.643 1.00 0.00 O ATOM 1551 ND2 ASN B 76 0.011 3.251 10.214 1.00 0.00 N ATOM 0 H ASN B 76 2.780 1.751 7.763 1.00 0.00 H new ATOM 0 HA ASN B 76 0.202 2.300 6.496 1.00 0.00 H new ATOM 0 HB2 ASN B 76 1.682 4.415 7.987 1.00 0.00 H new ATOM 0 HB3 ASN B 76 -0.039 4.102 7.878 1.00 0.00 H new ATOM 0 HD21 ASN B 76 -0.003 2.833 11.144 1.00 0.00 H new ATOM 0 HD22 ASN B 76 -0.713 3.916 9.943 1.00 0.00 H new ATOM 1558 N PHE B 77 1.104 3.493 4.506 1.00 0.00 N ATOM 1559 CA PHE B 77 1.576 4.168 3.302 1.00 0.00 C ATOM 1560 C PHE B 77 1.027 5.583 3.205 1.00 0.00 C ATOM 1561 O PHE B 77 -0.185 5.785 3.170 1.00 0.00 O ATOM 1562 CB PHE B 77 1.187 3.365 2.061 1.00 0.00 C ATOM 1563 CG PHE B 77 2.096 2.197 1.809 1.00 0.00 C ATOM 1564 CD1 PHE B 77 3.448 2.398 1.580 1.00 0.00 C ATOM 1565 CD2 PHE B 77 1.605 0.902 1.802 1.00 0.00 C ATOM 1566 CE1 PHE B 77 4.292 1.332 1.349 1.00 0.00 C ATOM 1567 CE2 PHE B 77 2.447 -0.169 1.569 1.00 0.00 C ATOM 1568 CZ PHE B 77 3.791 0.047 1.343 1.00 0.00 C ATOM 0 H PHE B 77 0.196 3.041 4.399 1.00 0.00 H new ATOM 0 HA PHE B 77 2.662 4.235 3.360 1.00 0.00 H new ATOM 0 HB2 PHE B 77 0.164 3.005 2.174 1.00 0.00 H new ATOM 0 HB3 PHE B 77 1.199 4.022 1.191 1.00 0.00 H new ATOM 0 HD1 PHE B 77 3.846 3.402 1.582 1.00 0.00 H new ATOM 0 HD2 PHE B 77 0.554 0.727 1.980 1.00 0.00 H new ATOM 0 HE1 PHE B 77 5.344 1.503 1.173 1.00 0.00 H new ATOM 0 HE2 PHE B 77 2.053 -1.175 1.564 1.00 0.00 H new ATOM 0 HZ PHE B 77 4.450 -0.789 1.162 1.00 0.00 H new ATOM 1578 N HIS B 78 1.928 6.552 3.165 1.00 0.00 N ATOM 1579 CA HIS B 78 1.559 7.957 3.080 1.00 0.00 C ATOM 1580 C HIS B 78 1.600 8.451 1.633 1.00 0.00 C ATOM 1581 O HIS B 78 2.635 8.402 0.975 1.00 0.00 O ATOM 1582 CB HIS B 78 2.513 8.764 3.982 1.00 0.00 C ATOM 1583 CG HIS B 78 2.528 10.258 3.776 1.00 0.00 C ATOM 1584 ND1 HIS B 78 3.505 11.078 4.293 1.00 0.00 N ATOM 1585 CD2 HIS B 78 1.696 11.073 3.077 1.00 0.00 C ATOM 1586 CE1 HIS B 78 3.249 12.329 3.899 1.00 0.00 C ATOM 1587 NE2 HIS B 78 2.161 12.382 3.156 1.00 0.00 N ATOM 0 H HIS B 78 2.934 6.387 3.190 1.00 0.00 H new ATOM 0 HA HIS B 78 0.534 8.093 3.425 1.00 0.00 H new ATOM 0 HB2 HIS B 78 2.251 8.565 5.021 1.00 0.00 H new ATOM 0 HB3 HIS B 78 3.525 8.388 3.831 1.00 0.00 H new ATOM 0 HD2 HIS B 78 0.812 10.755 2.544 1.00 0.00 H new ATOM 0 HE1 HIS B 78 3.855 13.186 4.156 1.00 0.00 H new ATOM 0 HE2 HIS B 78 1.747 13.210 2.728 1.00 0.00 H new ATOM 1595 N PHE B 79 0.464 8.928 1.146 1.00 0.00 N ATOM 1596 CA PHE B 79 0.374 9.461 -0.206 1.00 0.00 C ATOM 1597 C PHE B 79 0.615 10.967 -0.157 1.00 0.00 C ATOM 1598 O PHE B 79 -0.300 11.736 0.137 1.00 0.00 O ATOM 1599 CB PHE B 79 -1.001 9.185 -0.834 1.00 0.00 C ATOM 1600 CG PHE B 79 -1.351 7.731 -0.998 1.00 0.00 C ATOM 1601 CD1 PHE B 79 -1.564 6.917 0.104 1.00 0.00 C ATOM 1602 CD2 PHE B 79 -1.495 7.187 -2.262 1.00 0.00 C ATOM 1603 CE1 PHE B 79 -1.906 5.588 -0.056 1.00 0.00 C ATOM 1604 CE2 PHE B 79 -1.842 5.862 -2.426 1.00 0.00 C ATOM 1605 CZ PHE B 79 -2.048 5.060 -1.324 1.00 0.00 C ATOM 0 H PHE B 79 -0.411 8.957 1.669 1.00 0.00 H new ATOM 0 HA PHE B 79 1.127 8.969 -0.822 1.00 0.00 H new ATOM 0 HB2 PHE B 79 -1.765 9.659 -0.218 1.00 0.00 H new ATOM 0 HB3 PHE B 79 -1.038 9.664 -1.813 1.00 0.00 H new ATOM 0 HD1 PHE B 79 -1.461 7.326 1.098 1.00 0.00 H new ATOM 0 HD2 PHE B 79 -1.334 7.807 -3.131 1.00 0.00 H new ATOM 0 HE1 PHE B 79 -2.062 4.962 0.810 1.00 0.00 H new ATOM 0 HE2 PHE B 79 -1.952 5.452 -3.419 1.00 0.00 H new ATOM 0 HZ PHE B 79 -2.319 4.023 -1.452 1.00 0.00 H new ATOM 1615 N SER B 80 1.841 11.392 -0.435 1.00 0.00 N ATOM 1616 CA SER B 80 2.174 12.812 -0.385 1.00 0.00 C ATOM 1617 C SER B 80 2.011 13.477 -1.748 1.00 0.00 C ATOM 1618 O SER B 80 2.648 14.494 -2.041 1.00 0.00 O ATOM 1619 CB SER B 80 3.601 13.012 0.139 1.00 0.00 C ATOM 1620 OG SER B 80 4.559 12.383 -0.698 1.00 0.00 O ATOM 0 H SER B 80 2.615 10.781 -0.695 1.00 0.00 H new ATOM 0 HA SER B 80 1.475 13.289 0.302 1.00 0.00 H new ATOM 0 HB2 SER B 80 3.819 14.078 0.205 1.00 0.00 H new ATOM 0 HB3 SER B 80 3.678 12.608 1.148 1.00 0.00 H new ATOM 0 HG SER B 80 4.128 11.665 -1.207 1.00 0.00 H new ATOM 1626 N ASN B 81 1.153 12.915 -2.582 1.00 0.00 N ATOM 1627 CA ASN B 81 0.923 13.477 -3.900 1.00 0.00 C ATOM 1628 C ASN B 81 -0.368 14.278 -3.860 1.00 0.00 C ATOM 1629 O ASN B 81 -1.437 13.752 -4.092 1.00 0.00 O ATOM 1630 CB ASN B 81 0.854 12.363 -4.951 1.00 0.00 C ATOM 1631 CG ASN B 81 1.348 12.792 -6.328 1.00 0.00 C ATOM 1632 OD1 ASN B 81 1.952 11.998 -7.052 1.00 0.00 O ATOM 1633 ND2 ASN B 81 1.114 14.042 -6.702 1.00 0.00 N ATOM 0 H ASN B 81 0.609 12.078 -2.372 1.00 0.00 H new ATOM 0 HA ASN B 81 1.747 14.134 -4.179 1.00 0.00 H new ATOM 0 HB2 ASN B 81 1.448 11.515 -4.609 1.00 0.00 H new ATOM 0 HB3 ASN B 81 -0.176 12.018 -5.035 1.00 0.00 H new ATOM 0 HD21 ASN B 81 1.437 14.371 -7.612 1.00 0.00 H new ATOM 0 HD22 ASN B 81 0.611 14.675 -6.080 1.00 0.00 H new ATOM 1640 N GLU B 82 -0.236 15.559 -3.566 1.00 0.00 N ATOM 1641 CA GLU B 82 -1.367 16.487 -3.439 1.00 0.00 C ATOM 1642 C GLU B 82 -2.431 16.333 -4.537 1.00 0.00 C ATOM 1643 O GLU B 82 -3.626 16.453 -4.272 1.00 0.00 O ATOM 1644 CB GLU B 82 -0.842 17.935 -3.412 1.00 0.00 C ATOM 1645 CG GLU B 82 -0.202 18.417 -4.718 1.00 0.00 C ATOM 1646 CD GLU B 82 0.895 17.497 -5.226 1.00 0.00 C ATOM 1647 OE1 GLU B 82 1.992 17.478 -4.633 1.00 0.00 O ATOM 1648 OE2 GLU B 82 0.643 16.749 -6.192 1.00 0.00 O ATOM 0 H GLU B 82 0.670 15.999 -3.405 1.00 0.00 H new ATOM 0 HA GLU B 82 -1.867 16.239 -2.503 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -1.669 18.600 -3.163 1.00 0.00 H new ATOM 0 HB3 GLU B 82 -0.108 18.024 -2.611 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -0.975 18.506 -5.482 1.00 0.00 H new ATOM 0 HG3 GLU B 82 0.211 19.414 -4.565 1.00 0.00 H new ATOM 1655 N SER B 83 -2.006 16.050 -5.756 1.00 0.00 N ATOM 1656 CA SER B 83 -2.931 15.931 -6.869 1.00 0.00 C ATOM 1657 C SER B 83 -3.514 14.522 -7.051 1.00 0.00 C ATOM 1658 O SER B 83 -4.558 14.370 -7.697 1.00 0.00 O ATOM 1659 CB SER B 83 -2.220 16.369 -8.151 1.00 0.00 C ATOM 1660 OG SER B 83 -0.891 15.879 -8.184 1.00 0.00 O ATOM 0 H SER B 83 -1.027 15.898 -6.000 1.00 0.00 H new ATOM 0 HA SER B 83 -3.780 16.577 -6.646 1.00 0.00 H new ATOM 0 HB2 SER B 83 -2.768 16.003 -9.019 1.00 0.00 H new ATOM 0 HB3 SER B 83 -2.212 17.457 -8.214 1.00 0.00 H new ATOM 0 HG SER B 83 -0.306 16.487 -7.686 1.00 0.00 H new ATOM 1666 N THR B 84 -2.883 13.492 -6.490 1.00 0.00 N ATOM 1667 CA THR B 84 -3.375 12.126 -6.690 1.00 0.00 C ATOM 1668 C THR B 84 -3.502 11.309 -5.399 1.00 0.00 C ATOM 1669 O THR B 84 -3.966 10.177 -5.442 1.00 0.00 O ATOM 1670 CB THR B 84 -2.445 11.363 -7.653 1.00 0.00 C ATOM 1671 OG1 THR B 84 -1.142 11.252 -7.081 1.00 0.00 O ATOM 1672 CG2 THR B 84 -2.337 12.073 -8.990 1.00 0.00 C ATOM 0 H THR B 84 -2.050 13.570 -5.907 1.00 0.00 H new ATOM 0 HA THR B 84 -4.377 12.238 -7.104 1.00 0.00 H new ATOM 0 HB THR B 84 -2.871 10.373 -7.815 1.00 0.00 H new ATOM 0 HG1 THR B 84 -0.802 10.343 -7.216 1.00 0.00 H new ATOM 0 HG21 THR B 84 -1.674 11.511 -9.648 1.00 0.00 H new ATOM 0 HG22 THR B 84 -3.325 12.144 -9.445 1.00 0.00 H new ATOM 0 HG23 THR B 84 -1.934 13.074 -8.839 1.00 0.00 H new ATOM 1680 N ALA B 85 -3.134 11.891 -4.267 1.00 0.00 N ATOM 1681 CA ALA B 85 -3.158 11.199 -2.976 1.00 0.00 C ATOM 1682 C ALA B 85 -4.481 10.500 -2.713 1.00 0.00 C ATOM 1683 O ALA B 85 -4.536 9.280 -2.588 1.00 0.00 O ATOM 1684 CB ALA B 85 -2.858 12.177 -1.850 1.00 0.00 C ATOM 0 H ALA B 85 -2.809 12.856 -4.212 1.00 0.00 H new ATOM 0 HA ALA B 85 -2.386 10.430 -3.014 1.00 0.00 H new ATOM 0 HB1 ALA B 85 -2.879 11.651 -0.896 1.00 0.00 H new ATOM 0 HB2 ALA B 85 -1.871 12.615 -2.002 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -3.609 12.967 -1.845 1.00 0.00 H new ATOM 1690 N VAL B 86 -5.534 11.287 -2.626 1.00 0.00 N ATOM 1691 CA VAL B 86 -6.872 10.769 -2.375 1.00 0.00 C ATOM 1692 C VAL B 86 -7.281 9.734 -3.424 1.00 0.00 C ATOM 1693 O VAL B 86 -7.751 8.645 -3.091 1.00 0.00 O ATOM 1694 CB VAL B 86 -7.896 11.921 -2.366 1.00 0.00 C ATOM 1695 CG1 VAL B 86 -9.321 11.396 -2.236 1.00 0.00 C ATOM 1696 CG2 VAL B 86 -7.584 12.900 -1.245 1.00 0.00 C ATOM 0 H VAL B 86 -5.491 12.301 -2.726 1.00 0.00 H new ATOM 0 HA VAL B 86 -6.857 10.282 -1.400 1.00 0.00 H new ATOM 0 HB VAL B 86 -7.820 12.444 -3.319 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -10.018 12.234 -2.233 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -9.545 10.740 -3.077 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -9.420 10.838 -1.305 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -8.316 13.707 -1.253 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -7.625 12.382 -0.287 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -6.586 13.314 -1.391 1.00 0.00 H new ATOM 1706 N LYS B 87 -7.051 10.072 -4.685 1.00 0.00 N ATOM 1707 CA LYS B 87 -7.414 9.209 -5.806 1.00 0.00 C ATOM 1708 C LYS B 87 -6.673 7.874 -5.772 1.00 0.00 C ATOM 1709 O LYS B 87 -7.279 6.817 -5.945 1.00 0.00 O ATOM 1710 CB LYS B 87 -7.120 9.926 -7.126 1.00 0.00 C ATOM 1711 CG LYS B 87 -7.801 11.279 -7.249 1.00 0.00 C ATOM 1712 CD LYS B 87 -7.188 12.112 -8.363 1.00 0.00 C ATOM 1713 CE LYS B 87 -7.743 13.528 -8.369 1.00 0.00 C ATOM 1714 NZ LYS B 87 -6.857 14.468 -9.110 1.00 0.00 N ATOM 0 H LYS B 87 -6.609 10.949 -4.962 1.00 0.00 H new ATOM 0 HA LYS B 87 -8.480 8.996 -5.722 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -6.043 10.061 -7.224 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -7.439 9.292 -7.953 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -8.864 11.136 -7.443 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -7.719 11.816 -6.304 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -6.105 12.145 -8.241 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -7.386 11.638 -9.324 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -8.734 13.528 -8.824 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -7.863 13.875 -7.343 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -7.295 15.411 -9.135 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -5.935 14.526 -8.632 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -6.721 14.124 -10.082 1.00 0.00 H new ATOM 1728 N GLU B 88 -5.371 7.920 -5.536 1.00 0.00 N ATOM 1729 CA GLU B 88 -4.571 6.708 -5.514 1.00 0.00 C ATOM 1730 C GLU B 88 -4.823 5.914 -4.241 1.00 0.00 C ATOM 1731 O GLU B 88 -4.798 4.687 -4.260 1.00 0.00 O ATOM 1732 CB GLU B 88 -3.088 7.043 -5.675 1.00 0.00 C ATOM 1733 CG GLU B 88 -2.757 7.604 -7.049 1.00 0.00 C ATOM 1734 CD GLU B 88 -1.276 7.845 -7.262 1.00 0.00 C ATOM 1735 OE1 GLU B 88 -0.717 8.764 -6.637 1.00 0.00 O ATOM 1736 OE2 GLU B 88 -0.663 7.132 -8.081 1.00 0.00 O ATOM 0 H GLU B 88 -4.849 8.778 -5.358 1.00 0.00 H new ATOM 0 HA GLU B 88 -4.869 6.083 -6.356 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -2.799 7.766 -4.913 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -2.496 6.144 -5.502 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -3.118 6.914 -7.811 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -3.294 8.542 -7.189 1.00 0.00 H new ATOM 1743 N ARG B 89 -5.092 6.612 -3.140 1.00 0.00 N ATOM 1744 CA ARG B 89 -5.366 5.952 -1.868 1.00 0.00 C ATOM 1745 C ARG B 89 -6.560 5.016 -2.018 1.00 0.00 C ATOM 1746 O ARG B 89 -6.584 3.923 -1.450 1.00 0.00 O ATOM 1747 CB ARG B 89 -5.626 6.985 -0.767 1.00 0.00 C ATOM 1748 CG ARG B 89 -5.471 6.440 0.650 1.00 0.00 C ATOM 1749 CD ARG B 89 -6.804 6.369 1.385 1.00 0.00 C ATOM 1750 NE ARG B 89 -7.741 7.391 0.920 1.00 0.00 N ATOM 1751 CZ ARG B 89 -8.864 7.112 0.257 1.00 0.00 C ATOM 1752 NH1 ARG B 89 -9.261 5.852 0.121 1.00 0.00 N ATOM 1753 NH2 ARG B 89 -9.604 8.092 -0.245 1.00 0.00 N ATOM 0 H ARG B 89 -5.126 7.631 -3.104 1.00 0.00 H new ATOM 0 HA ARG B 89 -4.493 5.367 -1.581 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -4.940 7.822 -0.900 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -6.636 7.379 -0.885 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -5.027 5.446 0.609 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -4.783 7.074 1.209 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -7.244 5.382 1.243 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -6.635 6.492 2.455 1.00 0.00 H new ATOM 0 HE ARG B 89 -7.524 8.369 1.113 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -8.707 5.096 0.524 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -10.120 5.640 -0.386 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -9.315 9.063 -0.124 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -10.462 7.875 -0.752 1.00 0.00 H new ATOM 1767 N ASP B 90 -7.545 5.449 -2.796 1.00 0.00 N ATOM 1768 CA ASP B 90 -8.727 4.635 -3.043 1.00 0.00 C ATOM 1769 C ASP B 90 -8.414 3.524 -4.033 1.00 0.00 C ATOM 1770 O ASP B 90 -8.857 2.398 -3.859 1.00 0.00 O ATOM 1771 CB ASP B 90 -9.894 5.485 -3.564 1.00 0.00 C ATOM 1772 CG ASP B 90 -10.769 6.009 -2.442 1.00 0.00 C ATOM 1773 OD1 ASP B 90 -11.232 5.188 -1.617 1.00 0.00 O ATOM 1774 OD2 ASP B 90 -10.975 7.234 -2.357 1.00 0.00 O ATOM 0 H ASP B 90 -7.548 6.355 -3.264 1.00 0.00 H new ATOM 0 HA ASP B 90 -9.025 4.192 -2.092 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -9.502 6.324 -4.138 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -10.500 4.888 -4.246 1.00 0.00 H new ATOM 1779 N ALA B 91 -7.597 3.835 -5.032 1.00 0.00 N ATOM 1780 CA ALA B 91 -7.241 2.866 -6.069 1.00 0.00 C ATOM 1781 C ALA B 91 -6.461 1.690 -5.490 1.00 0.00 C ATOM 1782 O ALA B 91 -6.671 0.537 -5.872 1.00 0.00 O ATOM 1783 CB ALA B 91 -6.436 3.544 -7.166 1.00 0.00 C ATOM 0 H ALA B 91 -7.166 4.752 -5.149 1.00 0.00 H new ATOM 0 HA ALA B 91 -8.165 2.475 -6.494 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -6.177 2.813 -7.932 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -7.029 4.342 -7.612 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -5.524 3.964 -6.742 1.00 0.00 H new ATOM 1789 N VAL B 92 -5.573 1.990 -4.558 1.00 0.00 N ATOM 1790 CA VAL B 92 -4.758 0.965 -3.921 1.00 0.00 C ATOM 1791 C VAL B 92 -5.642 0.109 -3.034 1.00 0.00 C ATOM 1792 O VAL B 92 -5.593 -1.117 -3.089 1.00 0.00 O ATOM 1793 CB VAL B 92 -3.607 1.563 -3.076 1.00 0.00 C ATOM 1794 CG1 VAL B 92 -2.721 0.461 -2.515 1.00 0.00 C ATOM 1795 CG2 VAL B 92 -2.771 2.530 -3.896 1.00 0.00 C ATOM 0 H VAL B 92 -5.396 2.937 -4.223 1.00 0.00 H new ATOM 0 HA VAL B 92 -4.304 0.366 -4.710 1.00 0.00 H new ATOM 0 HB VAL B 92 -4.057 2.111 -2.248 1.00 0.00 H new ATOM 0 HG11 VAL B 92 -1.919 0.904 -1.925 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -3.316 -0.198 -1.882 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -2.292 -0.114 -3.336 1.00 0.00 H new ATOM 0 HG21 VAL B 92 -1.970 2.934 -3.277 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -2.340 2.006 -4.749 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -3.401 3.345 -4.252 1.00 0.00 H new ATOM 1805 N LYS B 93 -6.468 0.781 -2.241 1.00 0.00 N ATOM 1806 CA LYS B 93 -7.401 0.112 -1.347 1.00 0.00 C ATOM 1807 C LYS B 93 -8.296 -0.825 -2.142 1.00 0.00 C ATOM 1808 O LYS B 93 -8.471 -1.989 -1.791 1.00 0.00 O ATOM 1809 CB LYS B 93 -8.250 1.160 -0.623 1.00 0.00 C ATOM 1810 CG LYS B 93 -9.453 0.587 0.107 1.00 0.00 C ATOM 1811 CD LYS B 93 -10.735 0.800 -0.684 1.00 0.00 C ATOM 1812 CE LYS B 93 -11.174 2.251 -0.642 1.00 0.00 C ATOM 1813 NZ LYS B 93 -12.057 2.601 -1.784 1.00 0.00 N ATOM 0 H LYS B 93 -6.509 1.799 -2.200 1.00 0.00 H new ATOM 0 HA LYS B 93 -6.846 -0.472 -0.613 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -7.622 1.689 0.094 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -8.596 1.896 -1.349 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -9.303 -0.479 0.279 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -9.545 1.058 1.086 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -10.581 0.494 -1.719 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -11.524 0.167 -0.278 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -11.699 2.444 0.294 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -10.295 2.896 -0.653 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -11.882 3.586 -2.069 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -11.857 1.968 -2.584 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -13.052 2.495 -1.499 1.00 0.00 H new ATOM 1827 N ASP B 94 -8.847 -0.284 -3.216 1.00 0.00 N ATOM 1828 CA ASP B 94 -9.731 -1.007 -4.116 1.00 0.00 C ATOM 1829 C ASP B 94 -9.093 -2.292 -4.621 1.00 0.00 C ATOM 1830 O ASP B 94 -9.676 -3.373 -4.511 1.00 0.00 O ATOM 1831 CB ASP B 94 -10.094 -0.098 -5.290 1.00 0.00 C ATOM 1832 CG ASP B 94 -11.361 0.699 -5.043 1.00 0.00 C ATOM 1833 OD1 ASP B 94 -11.509 1.265 -3.937 1.00 0.00 O ATOM 1834 OD2 ASP B 94 -12.210 0.761 -5.954 1.00 0.00 O ATOM 0 H ASP B 94 -8.690 0.685 -3.492 1.00 0.00 H new ATOM 0 HA ASP B 94 -10.630 -1.288 -3.568 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -9.269 0.589 -5.481 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -10.220 -0.703 -6.188 1.00 0.00 H new ATOM 1839 N LEU B 95 -7.894 -2.176 -5.167 1.00 0.00 N ATOM 1840 CA LEU B 95 -7.184 -3.337 -5.683 1.00 0.00 C ATOM 1841 C LEU B 95 -6.856 -4.308 -4.557 1.00 0.00 C ATOM 1842 O LEU B 95 -7.058 -5.513 -4.691 1.00 0.00 O ATOM 1843 CB LEU B 95 -5.906 -2.909 -6.411 1.00 0.00 C ATOM 1844 CG LEU B 95 -5.892 -3.166 -7.925 1.00 0.00 C ATOM 1845 CD1 LEU B 95 -7.072 -2.483 -8.601 1.00 0.00 C ATOM 1846 CD2 LEU B 95 -4.586 -2.682 -8.531 1.00 0.00 C ATOM 0 H LEU B 95 -7.392 -1.293 -5.265 1.00 0.00 H new ATOM 0 HA LEU B 95 -7.833 -3.844 -6.397 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -5.750 -1.844 -6.239 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -5.061 -3.432 -5.963 1.00 0.00 H new ATOM 0 HG LEU B 95 -5.979 -4.240 -8.089 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -7.041 -2.679 -9.673 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -8.003 -2.872 -8.188 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -7.019 -1.408 -8.427 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -4.591 -2.871 -9.604 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -4.476 -1.613 -8.351 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -3.753 -3.215 -8.073 1.00 0.00 H new ATOM 1858 N LEU B 96 -6.397 -3.773 -3.435 1.00 0.00 N ATOM 1859 CA LEU B 96 -6.025 -4.596 -2.296 1.00 0.00 C ATOM 1860 C LEU B 96 -7.217 -5.348 -1.715 1.00 0.00 C ATOM 1861 O LEU B 96 -7.150 -6.559 -1.526 1.00 0.00 O ATOM 1862 CB LEU B 96 -5.355 -3.755 -1.224 1.00 0.00 C ATOM 1863 CG LEU B 96 -3.981 -3.248 -1.626 1.00 0.00 C ATOM 1864 CD1 LEU B 96 -3.365 -2.413 -0.519 1.00 0.00 C ATOM 1865 CD2 LEU B 96 -3.076 -4.407 -1.999 1.00 0.00 C ATOM 0 H LEU B 96 -6.274 -2.771 -3.290 1.00 0.00 H new ATOM 0 HA LEU B 96 -5.316 -5.341 -2.657 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -5.994 -2.904 -0.989 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -5.264 -4.346 -0.313 1.00 0.00 H new ATOM 0 HG LEU B 96 -4.095 -2.608 -2.501 1.00 0.00 H new ATOM 0 HD11 LEU B 96 -2.382 -2.062 -0.832 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -4.006 -1.557 -0.310 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -3.264 -3.019 0.381 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -2.096 -4.026 -2.284 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -2.971 -5.076 -1.145 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -3.511 -4.953 -2.836 1.00 0.00 H new ATOM 1877 N GLN B 97 -8.313 -4.639 -1.463 1.00 0.00 N ATOM 1878 CA GLN B 97 -9.508 -5.259 -0.893 1.00 0.00 C ATOM 1879 C GLN B 97 -10.088 -6.304 -1.841 1.00 0.00 C ATOM 1880 O GLN B 97 -10.812 -7.199 -1.420 1.00 0.00 O ATOM 1881 CB GLN B 97 -10.567 -4.205 -0.550 1.00 0.00 C ATOM 1882 CG GLN B 97 -11.249 -3.592 -1.763 1.00 0.00 C ATOM 1883 CD GLN B 97 -12.522 -2.849 -1.406 1.00 0.00 C ATOM 1884 OE1 GLN B 97 -13.472 -2.822 -2.186 1.00 0.00 O ATOM 1885 NE2 GLN B 97 -12.553 -2.237 -0.231 1.00 0.00 N ATOM 0 H GLN B 97 -8.400 -3.639 -1.643 1.00 0.00 H new ATOM 0 HA GLN B 97 -9.211 -5.759 0.029 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -11.325 -4.661 0.088 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -10.098 -3.410 0.030 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -10.559 -2.906 -2.255 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -11.482 -4.379 -2.480 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -11.744 -2.282 0.389 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -13.385 -1.721 0.053 1.00 0.00 H new ATOM 1894 N GLN B 98 -9.782 -6.177 -3.125 1.00 0.00 N ATOM 1895 CA GLN B 98 -10.261 -7.134 -4.115 1.00 0.00 C ATOM 1896 C GLN B 98 -9.316 -8.331 -4.226 1.00 0.00 C ATOM 1897 O GLN B 98 -9.730 -9.446 -4.556 1.00 0.00 O ATOM 1898 CB GLN B 98 -10.401 -6.457 -5.475 1.00 0.00 C ATOM 1899 CG GLN B 98 -11.757 -5.807 -5.693 1.00 0.00 C ATOM 1900 CD GLN B 98 -11.809 -4.980 -6.961 1.00 0.00 C ATOM 1901 OE1 GLN B 98 -12.111 -5.491 -8.037 1.00 0.00 O ATOM 1902 NE2 GLN B 98 -11.509 -3.697 -6.841 1.00 0.00 N ATOM 0 H GLN B 98 -9.207 -5.425 -3.505 1.00 0.00 H new ATOM 0 HA GLN B 98 -11.236 -7.496 -3.790 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -9.624 -5.700 -5.576 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -10.231 -7.195 -6.259 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -12.524 -6.580 -5.736 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -11.993 -5.172 -4.839 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -11.264 -3.314 -5.928 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -11.523 -3.091 -7.661 1.00 0.00 H new ATOM 1911 N LEU B 99 -8.041 -8.095 -3.965 1.00 0.00 N ATOM 1912 CA LEU B 99 -7.028 -9.142 -4.048 1.00 0.00 C ATOM 1913 C LEU B 99 -6.889 -9.921 -2.741 1.00 0.00 C ATOM 1914 O LEU B 99 -6.637 -11.120 -2.757 1.00 0.00 O ATOM 1915 CB LEU B 99 -5.680 -8.531 -4.440 1.00 0.00 C ATOM 1916 CG LEU B 99 -5.612 -8.011 -5.877 1.00 0.00 C ATOM 1917 CD1 LEU B 99 -4.544 -6.938 -6.011 1.00 0.00 C ATOM 1918 CD2 LEU B 99 -5.345 -9.153 -6.847 1.00 0.00 C ATOM 0 H LEU B 99 -7.678 -7.182 -3.692 1.00 0.00 H new ATOM 0 HA LEU B 99 -7.351 -9.849 -4.812 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -5.456 -7.710 -3.759 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -4.902 -9.281 -4.301 1.00 0.00 H new ATOM 0 HG LEU B 99 -6.576 -7.567 -6.124 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -4.513 -6.582 -7.041 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -4.779 -6.106 -5.347 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -3.574 -7.355 -5.742 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -5.300 -8.764 -7.864 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -4.396 -9.628 -6.598 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -6.148 -9.887 -6.775 1.00 0.00 H new ATOM 1930 N LEU B 100 -7.077 -9.241 -1.622 1.00 0.00 N ATOM 1931 CA LEU B 100 -6.937 -9.858 -0.302 1.00 0.00 C ATOM 1932 C LEU B 100 -7.788 -11.123 -0.099 1.00 0.00 C ATOM 1933 O LEU B 100 -7.243 -12.156 0.269 1.00 0.00 O ATOM 1934 CB LEU B 100 -7.232 -8.839 0.799 1.00 0.00 C ATOM 1935 CG LEU B 100 -6.061 -7.925 1.146 1.00 0.00 C ATOM 1936 CD1 LEU B 100 -6.490 -6.853 2.132 1.00 0.00 C ATOM 1937 CD2 LEU B 100 -4.906 -8.732 1.710 1.00 0.00 C ATOM 0 H LEU B 100 -7.329 -8.253 -1.596 1.00 0.00 H new ATOM 0 HA LEU B 100 -5.899 -10.185 -0.241 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -8.077 -8.224 0.490 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -7.538 -9.373 1.698 1.00 0.00 H new ATOM 0 HG LEU B 100 -5.728 -7.435 0.231 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -5.640 -6.212 2.366 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -7.287 -6.253 1.693 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -6.852 -7.323 3.046 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -4.079 -8.064 1.952 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -5.230 -9.250 2.613 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -4.578 -9.463 0.971 1.00 0.00 H new ATOM 1949 N PRO B 101 -9.119 -11.087 -0.340 1.00 0.00 N ATOM 1950 CA PRO B 101 -9.989 -12.258 -0.126 1.00 0.00 C ATOM 1951 C PRO B 101 -9.554 -13.518 -0.875 1.00 0.00 C ATOM 1952 O PRO B 101 -9.809 -14.630 -0.418 1.00 0.00 O ATOM 1953 CB PRO B 101 -11.354 -11.795 -0.644 1.00 0.00 C ATOM 1954 CG PRO B 101 -11.314 -10.314 -0.543 1.00 0.00 C ATOM 1955 CD PRO B 101 -9.890 -9.927 -0.823 1.00 0.00 C ATOM 0 HA PRO B 101 -9.971 -12.552 0.924 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -11.517 -12.117 -1.672 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -12.166 -12.211 -0.047 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -11.993 -9.854 -1.261 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -11.623 -9.980 0.448 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -9.724 -9.748 -1.885 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -9.612 -9.013 -0.299 1.00 0.00 H new ATOM 1963 N LYS B 102 -8.899 -13.356 -2.017 1.00 0.00 N ATOM 1964 CA LYS B 102 -8.480 -14.514 -2.799 1.00 0.00 C ATOM 1965 C LYS B 102 -7.106 -15.039 -2.374 1.00 0.00 C ATOM 1966 O LYS B 102 -6.693 -16.115 -2.808 1.00 0.00 O ATOM 1967 CB LYS B 102 -8.498 -14.200 -4.302 1.00 0.00 C ATOM 1968 CG LYS B 102 -7.488 -13.150 -4.737 1.00 0.00 C ATOM 1969 CD LYS B 102 -7.408 -13.035 -6.253 1.00 0.00 C ATOM 1970 CE LYS B 102 -8.623 -12.328 -6.837 1.00 0.00 C ATOM 1971 NZ LYS B 102 -8.592 -10.860 -6.586 1.00 0.00 N ATOM 0 H LYS B 102 -8.649 -12.452 -2.418 1.00 0.00 H new ATOM 0 HA LYS B 102 -9.203 -15.305 -2.600 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -8.308 -15.120 -4.855 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -9.497 -13.862 -4.578 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -7.763 -12.184 -4.313 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -6.505 -13.404 -4.340 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -6.505 -12.490 -6.528 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -7.324 -14.031 -6.688 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -8.667 -12.511 -7.911 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -9.530 -12.750 -6.404 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -8.975 -10.358 -7.412 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -9.168 -10.639 -5.749 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -7.611 -10.557 -6.421 1.00 0.00 H new ATOM 1985 N PHE B 103 -6.402 -14.300 -1.523 1.00 0.00 N ATOM 1986 CA PHE B 103 -5.077 -14.731 -1.082 1.00 0.00 C ATOM 1987 C PHE B 103 -5.024 -14.967 0.423 1.00 0.00 C ATOM 1988 O PHE B 103 -4.341 -15.881 0.886 1.00 0.00 O ATOM 1989 CB PHE B 103 -4.008 -13.715 -1.490 1.00 0.00 C ATOM 1990 CG PHE B 103 -3.806 -13.627 -2.977 1.00 0.00 C ATOM 1991 CD1 PHE B 103 -3.404 -14.738 -3.700 1.00 0.00 C ATOM 1992 CD2 PHE B 103 -4.021 -12.437 -3.651 1.00 0.00 C ATOM 1993 CE1 PHE B 103 -3.220 -14.664 -5.067 1.00 0.00 C ATOM 1994 CE2 PHE B 103 -3.840 -12.356 -5.018 1.00 0.00 C ATOM 1995 CZ PHE B 103 -3.439 -13.470 -5.727 1.00 0.00 C ATOM 0 H PHE B 103 -6.718 -13.414 -1.129 1.00 0.00 H new ATOM 0 HA PHE B 103 -4.872 -15.680 -1.577 1.00 0.00 H new ATOM 0 HB2 PHE B 103 -4.287 -12.732 -1.110 1.00 0.00 H new ATOM 0 HB3 PHE B 103 -3.063 -13.983 -1.017 1.00 0.00 H new ATOM 0 HD1 PHE B 103 -3.232 -15.674 -3.189 1.00 0.00 H new ATOM 0 HD2 PHE B 103 -4.334 -11.562 -3.101 1.00 0.00 H new ATOM 0 HE1 PHE B 103 -2.906 -15.538 -5.619 1.00 0.00 H new ATOM 0 HE2 PHE B 103 -4.012 -11.422 -5.532 1.00 0.00 H new ATOM 0 HZ PHE B 103 -3.297 -13.409 -6.796 1.00 0.00 H new