USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=23 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+ -132:sc= 0.636 (180deg=0.158) USER MOD Set 1.2: B 81 ASN : amide:sc= -0.706! C(o=2.9!,f=-3.7!) USER MOD Set 1.3: B 83 SER OG : rot -88:sc= 1.33 USER MOD Set 1.4: B 84 THR OG1 : rot 156:sc= 1.6 USER MOD Set 2.1: B 66 GLN : amide:sc= -5.21! C(o=-7.1!,f=-7.6!) USER MOD Set 2.2: B 76 ASN : amide:sc= -1.85 K(o=-7.1,f=-11!) USER MOD Set 3.1: A 52 GLN : amide:sc= -8.62! C(o=-14!,f=-19!) USER MOD Set 3.2: B 56 SER OG : rot 58:sc= 2.16 USER MOD Set 3.3: B 64 GLN : amide:sc= -7.23! C(o=-14!,f=-17!) USER MOD Set 4.1: B 51 LYS NZ :NH3+ -147:sc= 1.34 (180deg=-0.31) USER MOD Set 4.2: B 52 CYS SG : rot 180:sc= 0.514 USER MOD Set 5.1: B 17 GLN : amide:sc= -1.33! C(o=-0.74!,f=-6.7!) USER MOD Set 5.2: B 18 LYS NZ :NH3+ 143:sc= 0.587 (180deg=-3.12!) USER MOD Single : B 13 LYS NZ :NH3+ -174:sc= 2.01 (180deg=1.64) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 MET CE :methyl 160:sc= 0 (180deg=-0.73) USER MOD Single : B 42 THR OG1 : rot 180:sc= 0.0431 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 45 HIS : no HD1:sc= -0.115 K(o=-0.11,f=-0.64) USER MOD Single : B 46 MET CE :methyl -126:sc=-0.00118 (180deg=-0.852) USER MOD Single : B 47 TYR OH : rot 150:sc= 1.28 USER MOD Single : B 53 GLN : amide:sc= -1.32! X(o=-1.3!,f=-1.7) USER MOD Single : B 54 LYS NZ :NH3+ -173:sc= 1.3 (180deg=1.16) USER MOD Single : B 60 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0509) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 70 HIS : no HD1:sc= -1.54 K(o=-1.5,f=-4.2!) USER MOD Single : B 74 THR OG1 : rot 37:sc= 0.119 USER MOD Single : B 75 THR OG1 : rot 180:sc= 0 USER MOD Single : B 78 HIS : no HE2:sc= -2.26 K(o=-2.3,f=-2.8) USER MOD Single : B 80 SER OG : rot 48:sc= 0.552 USER MOD Single : B 87 LYS NZ :NH3+ 159:sc= 1.28 (180deg=1.21) USER MOD Single : B 93 LYS NZ :NH3+ -144:sc= 2.39 (180deg=2.08) USER MOD Single : B 97 GLN : amide:sc= -0.0662 X(o=-0.066,f=0) USER MOD Single : B 98 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : B 102 LYS NZ :NH3+ 158:sc= 1.25 (180deg=1.02) USER MOD ----------------------------------------------------------------- ATOM 134 N ILE A 50 -0.751 8.932 14.017 1.00 0.00 N ATOM 135 CA ILE A 50 -1.449 8.008 13.172 1.00 0.00 C ATOM 136 C ILE A 50 -2.012 6.833 13.963 1.00 0.00 C ATOM 137 O ILE A 50 -1.304 6.190 14.732 1.00 0.00 O ATOM 138 CB ILE A 50 -0.505 7.471 12.069 1.00 0.00 C ATOM 139 CG1 ILE A 50 -0.678 8.226 10.761 1.00 0.00 C ATOM 140 CG2 ILE A 50 -0.731 6.004 11.813 1.00 0.00 C ATOM 141 CD1 ILE A 50 0.458 7.975 9.799 1.00 0.00 C ATOM 0 HA ILE A 50 -2.280 8.549 12.720 1.00 0.00 H new ATOM 0 HB ILE A 50 0.509 7.622 12.438 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.618 7.930 10.295 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.747 9.294 10.967 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.051 5.662 11.033 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.545 5.442 12.728 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.761 5.845 11.492 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.288 8.536 8.880 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.396 8.296 10.252 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.512 6.911 9.569 1.00 0.00 H new ATOM 153 N GLU A 51 -3.312 6.678 13.790 1.00 0.00 N ATOM 154 CA GLU A 51 -4.155 5.588 14.314 1.00 0.00 C ATOM 155 C GLU A 51 -5.585 6.094 14.397 1.00 0.00 C ATOM 156 O GLU A 51 -6.287 5.956 15.394 1.00 0.00 O ATOM 157 CB GLU A 51 -3.692 4.956 15.631 1.00 0.00 C ATOM 158 CG GLU A 51 -2.732 3.784 15.416 1.00 0.00 C ATOM 159 CD GLU A 51 -2.994 3.039 14.114 1.00 0.00 C ATOM 160 OE1 GLU A 51 -3.838 2.120 14.112 1.00 0.00 O ATOM 161 OE2 GLU A 51 -2.360 3.377 13.088 1.00 0.00 O ATOM 0 H GLU A 51 -3.855 7.348 13.245 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.070 4.759 13.612 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.202 5.715 16.241 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.562 4.610 16.189 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.707 4.155 15.417 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.821 3.089 16.251 1.00 0.00 H new ATOM 168 N GLN A 52 -5.961 6.719 13.292 1.00 0.00 N ATOM 169 CA GLN A 52 -7.274 7.289 13.061 1.00 0.00 C ATOM 170 C GLN A 52 -7.703 6.816 11.706 1.00 0.00 C ATOM 171 O GLN A 52 -7.821 7.566 10.739 1.00 0.00 O ATOM 172 CB GLN A 52 -7.241 8.828 13.150 1.00 0.00 C ATOM 173 CG GLN A 52 -6.350 9.520 12.111 1.00 0.00 C ATOM 174 CD GLN A 52 -4.902 9.061 12.150 1.00 0.00 C ATOM 175 OE1 GLN A 52 -4.154 9.426 13.049 1.00 0.00 O ATOM 176 NE2 GLN A 52 -4.489 8.264 11.167 1.00 0.00 N ATOM 0 H GLN A 52 -5.331 6.847 12.500 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.984 6.968 13.823 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.258 9.205 13.042 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.900 9.112 14.146 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.755 9.334 11.116 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.386 10.597 12.274 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.139 7.979 10.434 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.523 7.938 11.147 1.00 0.00 H new ATOM 185 N TRP A 53 -7.889 5.534 11.649 1.00 0.00 N ATOM 186 CA TRP A 53 -8.235 4.876 10.436 1.00 0.00 C ATOM 187 C TRP A 53 -9.676 4.412 10.485 1.00 0.00 C ATOM 188 O TRP A 53 -10.410 4.724 11.417 1.00 0.00 O ATOM 189 CB TRP A 53 -7.274 3.706 10.240 1.00 0.00 C ATOM 190 CG TRP A 53 -5.819 4.094 10.311 1.00 0.00 C ATOM 191 CD1 TRP A 53 -5.118 4.560 11.380 1.00 0.00 C ATOM 192 CD2 TRP A 53 -4.902 4.034 9.245 1.00 0.00 C ATOM 193 NE1 TRP A 53 -3.808 4.814 11.016 1.00 0.00 N ATOM 194 CE2 TRP A 53 -3.652 4.492 9.695 1.00 0.00 C ATOM 195 CE3 TRP A 53 -5.038 3.635 7.951 1.00 0.00 C ATOM 196 CZ2 TRP A 53 -2.540 4.559 8.834 1.00 0.00 C ATOM 197 CZ3 TRP A 53 -3.980 3.691 7.119 1.00 0.00 C ATOM 198 CH2 TRP A 53 -2.743 4.147 7.547 1.00 0.00 C ATOM 0 H TRP A 53 -7.803 4.912 12.453 1.00 0.00 H new ATOM 0 HA TRP A 53 -8.147 5.558 9.590 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -7.476 2.951 11.000 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -7.470 3.245 9.272 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -5.525 4.710 12.369 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -3.080 5.180 11.629 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -5.991 3.275 7.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.579 4.917 9.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -4.098 3.373 6.094 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -1.921 4.177 6.847 1.00 0.00 H new ATOM 209 N PHE A 54 -10.082 3.717 9.445 1.00 0.00 N ATOM 210 CA PHE A 54 -11.430 3.189 9.351 1.00 0.00 C ATOM 211 C PHE A 54 -11.351 1.699 9.230 1.00 0.00 C ATOM 212 O PHE A 54 -12.320 1.054 8.829 1.00 0.00 O ATOM 213 CB PHE A 54 -12.125 3.748 8.121 1.00 0.00 C ATOM 214 CG PHE A 54 -12.125 5.233 8.072 1.00 0.00 C ATOM 215 CD1 PHE A 54 -12.406 5.968 9.206 1.00 0.00 C ATOM 216 CD2 PHE A 54 -11.861 5.898 6.893 1.00 0.00 C ATOM 217 CE1 PHE A 54 -12.436 7.329 9.169 1.00 0.00 C ATOM 218 CE2 PHE A 54 -11.881 7.261 6.846 1.00 0.00 C ATOM 219 CZ PHE A 54 -12.175 7.987 7.989 1.00 0.00 C ATOM 0 H PHE A 54 -9.491 3.501 8.642 1.00 0.00 H new ATOM 0 HA PHE A 54 -11.994 3.472 10.239 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -11.635 3.362 7.228 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -13.154 3.390 8.099 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -12.605 5.456 10.136 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -11.637 5.335 5.999 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.664 7.890 10.063 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -11.668 7.773 5.919 1.00 0.00 H new ATOM 0 HZ PHE A 54 -12.199 9.066 7.954 1.00 0.00 H new ATOM 246 N GLU A 56 -10.600 -0.783 7.323 1.00 0.00 N ATOM 247 CA GLU A 56 -11.394 -1.470 6.304 1.00 0.00 C ATOM 248 C GLU A 56 -11.678 -2.944 6.622 1.00 0.00 C ATOM 249 O GLU A 56 -12.808 -3.403 6.462 1.00 0.00 O ATOM 250 CB GLU A 56 -10.683 -1.351 4.968 1.00 0.00 C ATOM 251 CG GLU A 56 -11.011 -0.057 4.236 1.00 0.00 C ATOM 252 CD GLU A 56 -11.463 -0.303 2.813 1.00 0.00 C ATOM 253 OE1 GLU A 56 -11.085 -1.351 2.243 1.00 0.00 O ATOM 254 OE2 GLU A 56 -12.189 0.549 2.261 1.00 0.00 O ATOM 0 HA GLU A 56 -12.369 -0.983 6.276 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.606 -1.409 5.129 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.958 -2.198 4.339 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.793 0.476 4.777 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.132 0.588 4.230 1.00 0.00 H new ATOM 261 N ASP A 57 -10.672 -3.680 7.073 1.00 0.00 N ATOM 262 CA ASP A 57 -10.865 -5.097 7.396 1.00 0.00 C ATOM 263 C ASP A 57 -10.315 -5.447 8.779 1.00 0.00 C ATOM 264 O ASP A 57 -9.178 -5.888 8.903 1.00 0.00 O ATOM 265 CB ASP A 57 -10.218 -5.988 6.321 1.00 0.00 C ATOM 266 CG ASP A 57 -10.296 -7.475 6.652 1.00 0.00 C ATOM 267 OD1 ASP A 57 -11.264 -7.891 7.320 1.00 0.00 O ATOM 268 OD2 ASP A 57 -9.385 -8.233 6.237 1.00 0.00 O ATOM 0 H ASP A 57 -9.725 -3.331 7.224 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.939 -5.284 7.413 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -10.709 -5.808 5.365 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -9.173 -5.703 6.201 1.00 0.00 H new ATOM 415 N GLU B 7 3.816 -8.709 -13.399 1.00 0.00 N ATOM 416 CA GLU B 7 3.228 -7.479 -13.903 1.00 0.00 C ATOM 417 C GLU B 7 2.877 -6.535 -12.760 1.00 0.00 C ATOM 418 O GLU B 7 2.567 -6.972 -11.644 1.00 0.00 O ATOM 419 CB GLU B 7 1.973 -7.786 -14.728 1.00 0.00 C ATOM 420 CG GLU B 7 1.306 -6.546 -15.308 1.00 0.00 C ATOM 421 CD GLU B 7 2.209 -5.800 -16.270 1.00 0.00 C ATOM 422 OE1 GLU B 7 3.061 -5.015 -15.796 1.00 0.00 O ATOM 423 OE2 GLU B 7 2.073 -6.006 -17.493 1.00 0.00 O ATOM 0 HA GLU B 7 3.965 -6.991 -14.542 1.00 0.00 H new ATOM 0 HB2 GLU B 7 2.240 -8.459 -15.543 1.00 0.00 H new ATOM 0 HB3 GLU B 7 1.256 -8.314 -14.100 1.00 0.00 H new ATOM 0 HG2 GLU B 7 0.391 -6.837 -15.824 1.00 0.00 H new ATOM 0 HG3 GLU B 7 1.016 -5.880 -14.496 1.00 0.00 H new ATOM 430 N VAL B 8 2.930 -5.246 -13.046 1.00 0.00 N ATOM 431 CA VAL B 8 2.602 -4.232 -12.071 1.00 0.00 C ATOM 432 C VAL B 8 1.121 -3.895 -12.183 1.00 0.00 C ATOM 433 O VAL B 8 0.619 -3.603 -13.263 1.00 0.00 O ATOM 434 CB VAL B 8 3.446 -2.955 -12.261 1.00 0.00 C ATOM 435 CG1 VAL B 8 3.242 -2.001 -11.094 1.00 0.00 C ATOM 436 CG2 VAL B 8 4.918 -3.304 -12.416 1.00 0.00 C ATOM 0 H VAL B 8 3.201 -4.878 -13.958 1.00 0.00 H new ATOM 0 HA VAL B 8 2.827 -4.627 -11.080 1.00 0.00 H new ATOM 0 HB VAL B 8 3.115 -2.458 -13.173 1.00 0.00 H new ATOM 0 HG11 VAL B 8 3.845 -1.106 -11.246 1.00 0.00 H new ATOM 0 HG12 VAL B 8 2.190 -1.723 -11.031 1.00 0.00 H new ATOM 0 HG13 VAL B 8 3.544 -2.489 -10.168 1.00 0.00 H new ATOM 0 HG21 VAL B 8 5.497 -2.390 -12.549 1.00 0.00 H new ATOM 0 HG22 VAL B 8 5.264 -3.826 -11.524 1.00 0.00 H new ATOM 0 HG23 VAL B 8 5.050 -3.947 -13.286 1.00 0.00 H new ATOM 446 N LEU B 9 0.434 -3.936 -11.061 1.00 0.00 N ATOM 447 CA LEU B 9 -0.987 -3.672 -11.023 1.00 0.00 C ATOM 448 C LEU B 9 -1.250 -2.193 -10.858 1.00 0.00 C ATOM 449 O LEU B 9 -2.159 -1.639 -11.472 1.00 0.00 O ATOM 450 CB LEU B 9 -1.625 -4.443 -9.870 1.00 0.00 C ATOM 451 CG LEU B 9 -1.900 -5.918 -10.149 1.00 0.00 C ATOM 452 CD1 LEU B 9 -2.333 -6.622 -8.876 1.00 0.00 C ATOM 453 CD2 LEU B 9 -2.964 -6.069 -11.224 1.00 0.00 C ATOM 0 H LEU B 9 0.844 -4.153 -10.153 1.00 0.00 H new ATOM 0 HA LEU B 9 -1.426 -3.999 -11.965 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -0.973 -4.370 -9.000 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -2.565 -3.958 -9.606 1.00 0.00 H new ATOM 0 HG LEU B 9 -0.980 -6.379 -10.508 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -2.526 -7.673 -9.089 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -1.543 -6.542 -8.129 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -3.242 -6.157 -8.494 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.146 -7.128 -11.409 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -3.887 -5.594 -10.891 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -2.622 -5.593 -12.143 1.00 0.00 H new ATOM 465 N LEU B 10 -0.450 -1.551 -10.025 1.00 0.00 N ATOM 466 CA LEU B 10 -0.617 -0.139 -9.786 1.00 0.00 C ATOM 467 C LEU B 10 0.703 0.521 -9.445 1.00 0.00 C ATOM 468 O LEU B 10 1.510 -0.028 -8.697 1.00 0.00 O ATOM 469 CB LEU B 10 -1.564 0.078 -8.621 1.00 0.00 C ATOM 470 CG LEU B 10 -2.400 1.360 -8.699 1.00 0.00 C ATOM 471 CD1 LEU B 10 -3.357 1.311 -9.880 1.00 0.00 C ATOM 472 CD2 LEU B 10 -3.165 1.576 -7.407 1.00 0.00 C ATOM 0 H LEU B 10 0.315 -1.986 -9.509 1.00 0.00 H new ATOM 0 HA LEU B 10 -1.017 0.303 -10.698 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.239 -0.775 -8.557 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -0.984 0.096 -7.698 1.00 0.00 H new ATOM 0 HG LEU B 10 -1.720 2.200 -8.845 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -3.940 2.232 -9.915 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -2.789 1.206 -10.804 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -4.029 0.460 -9.769 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.753 2.491 -7.481 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -3.830 0.730 -7.232 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -2.462 1.662 -6.578 1.00 0.00 H new ATOM 484 N ILE B 11 0.918 1.688 -10.009 1.00 0.00 N ATOM 485 CA ILE B 11 2.113 2.462 -9.726 1.00 0.00 C ATOM 486 C ILE B 11 1.724 3.782 -9.091 1.00 0.00 C ATOM 487 O ILE B 11 1.215 4.676 -9.761 1.00 0.00 O ATOM 488 CB ILE B 11 2.943 2.752 -10.993 1.00 0.00 C ATOM 489 CG1 ILE B 11 3.441 1.451 -11.618 1.00 0.00 C ATOM 490 CG2 ILE B 11 4.117 3.670 -10.661 1.00 0.00 C ATOM 491 CD1 ILE B 11 4.356 1.664 -12.802 1.00 0.00 C ATOM 0 H ILE B 11 0.278 2.127 -10.671 1.00 0.00 H new ATOM 0 HA ILE B 11 2.726 1.867 -9.050 1.00 0.00 H new ATOM 0 HB ILE B 11 2.303 3.256 -11.717 1.00 0.00 H new ATOM 0 HG12 ILE B 11 3.969 0.872 -10.860 1.00 0.00 H new ATOM 0 HG13 ILE B 11 2.583 0.857 -11.934 1.00 0.00 H new ATOM 0 HG21 ILE B 11 4.693 3.865 -11.565 1.00 0.00 H new ATOM 0 HG22 ILE B 11 3.741 4.611 -10.260 1.00 0.00 H new ATOM 0 HG23 ILE B 11 4.756 3.190 -9.920 1.00 0.00 H new ATOM 0 HD11 ILE B 11 4.672 0.698 -13.196 1.00 0.00 H new ATOM 0 HD12 ILE B 11 3.825 2.216 -13.577 1.00 0.00 H new ATOM 0 HD13 ILE B 11 5.232 2.231 -12.487 1.00 0.00 H new ATOM 503 N VAL B 12 1.975 3.896 -7.804 1.00 0.00 N ATOM 504 CA VAL B 12 1.678 5.108 -7.072 1.00 0.00 C ATOM 505 C VAL B 12 2.973 5.879 -6.895 1.00 0.00 C ATOM 506 O VAL B 12 4.025 5.276 -6.722 1.00 0.00 O ATOM 507 CB VAL B 12 1.049 4.806 -5.699 1.00 0.00 C ATOM 508 CG1 VAL B 12 0.383 6.046 -5.131 1.00 0.00 C ATOM 509 CG2 VAL B 12 0.050 3.664 -5.804 1.00 0.00 C ATOM 0 H VAL B 12 2.389 3.155 -7.238 1.00 0.00 H new ATOM 0 HA VAL B 12 0.951 5.696 -7.633 1.00 0.00 H new ATOM 0 HB VAL B 12 1.845 4.502 -5.020 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -0.055 5.812 -4.161 1.00 0.00 H new ATOM 0 HG12 VAL B 12 1.125 6.836 -5.013 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -0.400 6.382 -5.811 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -0.382 3.467 -4.823 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.742 3.936 -6.501 1.00 0.00 H new ATOM 0 HG23 VAL B 12 0.557 2.769 -6.163 1.00 0.00 H new ATOM 519 N LYS B 13 2.902 7.194 -6.940 1.00 0.00 N ATOM 520 CA LYS B 13 4.105 8.014 -6.836 1.00 0.00 C ATOM 521 C LYS B 13 4.072 8.928 -5.624 1.00 0.00 C ATOM 522 O LYS B 13 3.009 9.160 -5.044 1.00 0.00 O ATOM 523 CB LYS B 13 4.282 8.828 -8.114 1.00 0.00 C ATOM 524 CG LYS B 13 4.266 7.963 -9.362 1.00 0.00 C ATOM 525 CD LYS B 13 3.162 8.374 -10.332 1.00 0.00 C ATOM 526 CE LYS B 13 1.788 8.384 -9.668 1.00 0.00 C ATOM 527 NZ LYS B 13 0.929 7.251 -10.106 1.00 0.00 N ATOM 0 H LYS B 13 2.035 7.720 -7.047 1.00 0.00 H new ATOM 0 HA LYS B 13 4.956 7.345 -6.707 1.00 0.00 H new ATOM 0 HB2 LYS B 13 3.487 9.571 -8.181 1.00 0.00 H new ATOM 0 HB3 LYS B 13 5.225 9.373 -8.066 1.00 0.00 H new ATOM 0 HG2 LYS B 13 5.232 8.032 -9.863 1.00 0.00 H new ATOM 0 HG3 LYS B 13 4.128 6.920 -9.078 1.00 0.00 H new ATOM 0 HD2 LYS B 13 3.379 9.366 -10.729 1.00 0.00 H new ATOM 0 HD3 LYS B 13 3.150 7.688 -11.179 1.00 0.00 H new ATOM 0 HE2 LYS B 13 1.912 8.343 -8.586 1.00 0.00 H new ATOM 0 HE3 LYS B 13 1.286 9.324 -9.896 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -0.024 7.362 -9.704 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 0.868 7.242 -11.144 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 1.341 6.355 -9.776 1.00 0.00 H new ATOM 541 N LYS B 14 5.246 9.459 -5.276 1.00 0.00 N ATOM 542 CA LYS B 14 5.417 10.333 -4.127 1.00 0.00 C ATOM 543 C LYS B 14 4.762 9.755 -2.878 1.00 0.00 C ATOM 544 O LYS B 14 4.132 10.470 -2.097 1.00 0.00 O ATOM 545 CB LYS B 14 4.899 11.729 -4.438 1.00 0.00 C ATOM 546 CG LYS B 14 5.968 12.654 -5.004 1.00 0.00 C ATOM 547 CD LYS B 14 5.503 14.102 -5.039 1.00 0.00 C ATOM 548 CE LYS B 14 4.820 14.430 -6.355 1.00 0.00 C ATOM 549 NZ LYS B 14 4.125 15.747 -6.315 1.00 0.00 N ATOM 0 H LYS B 14 6.109 9.289 -5.792 1.00 0.00 H new ATOM 0 HA LYS B 14 6.484 10.408 -3.916 1.00 0.00 H new ATOM 0 HB2 LYS B 14 4.078 11.654 -5.151 1.00 0.00 H new ATOM 0 HB3 LYS B 14 4.492 12.169 -3.528 1.00 0.00 H new ATOM 0 HG2 LYS B 14 6.872 12.577 -4.400 1.00 0.00 H new ATOM 0 HG3 LYS B 14 6.230 12.332 -6.012 1.00 0.00 H new ATOM 0 HD2 LYS B 14 4.815 14.285 -4.214 1.00 0.00 H new ATOM 0 HD3 LYS B 14 6.357 14.764 -4.895 1.00 0.00 H new ATOM 0 HE2 LYS B 14 5.560 14.436 -7.155 1.00 0.00 H new ATOM 0 HE3 LYS B 14 4.099 13.648 -6.593 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 3.162 15.643 -6.693 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 4.077 16.084 -5.332 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 4.651 16.435 -6.892 1.00 0.00 H new ATOM 563 N VAL B 15 4.911 8.452 -2.706 1.00 0.00 N ATOM 564 CA VAL B 15 4.373 7.764 -1.541 1.00 0.00 C ATOM 565 C VAL B 15 5.441 7.691 -0.465 1.00 0.00 C ATOM 566 O VAL B 15 6.462 7.033 -0.642 1.00 0.00 O ATOM 567 CB VAL B 15 3.872 6.340 -1.874 1.00 0.00 C ATOM 568 CG1 VAL B 15 3.273 5.675 -0.643 1.00 0.00 C ATOM 569 CG2 VAL B 15 2.855 6.401 -2.994 1.00 0.00 C ATOM 0 H VAL B 15 5.403 7.845 -3.362 1.00 0.00 H new ATOM 0 HA VAL B 15 3.513 8.334 -1.189 1.00 0.00 H new ATOM 0 HB VAL B 15 4.721 5.739 -2.200 1.00 0.00 H new ATOM 0 HG11 VAL B 15 2.927 4.674 -0.902 1.00 0.00 H new ATOM 0 HG12 VAL B 15 4.030 5.607 0.138 1.00 0.00 H new ATOM 0 HG13 VAL B 15 2.432 6.267 -0.282 1.00 0.00 H new ATOM 0 HG21 VAL B 15 2.506 5.394 -3.224 1.00 0.00 H new ATOM 0 HG22 VAL B 15 2.010 7.016 -2.685 1.00 0.00 H new ATOM 0 HG23 VAL B 15 3.316 6.836 -3.881 1.00 0.00 H new ATOM 579 N ARG B 16 5.208 8.368 0.643 1.00 0.00 N ATOM 580 CA ARG B 16 6.163 8.396 1.726 1.00 0.00 C ATOM 581 C ARG B 16 5.893 7.298 2.736 1.00 0.00 C ATOM 582 O ARG B 16 4.843 7.255 3.363 1.00 0.00 O ATOM 583 CB ARG B 16 6.156 9.769 2.403 1.00 0.00 C ATOM 584 CG ARG B 16 6.993 10.777 1.642 1.00 0.00 C ATOM 585 CD ARG B 16 6.740 12.211 2.058 1.00 0.00 C ATOM 586 NE ARG B 16 7.800 13.084 1.555 1.00 0.00 N ATOM 587 CZ ARG B 16 7.658 14.374 1.277 1.00 0.00 C ATOM 588 NH1 ARG B 16 6.500 14.992 1.500 1.00 0.00 N ATOM 589 NH2 ARG B 16 8.684 15.040 0.763 1.00 0.00 N ATOM 0 H ARG B 16 4.360 8.908 0.814 1.00 0.00 H new ATOM 0 HA ARG B 16 7.152 8.216 1.306 1.00 0.00 H new ATOM 0 HB2 ARG B 16 5.131 10.131 2.479 1.00 0.00 H new ATOM 0 HB3 ARG B 16 6.537 9.675 3.420 1.00 0.00 H new ATOM 0 HG2 ARG B 16 8.048 10.546 1.789 1.00 0.00 H new ATOM 0 HG3 ARG B 16 6.789 10.675 0.576 1.00 0.00 H new ATOM 0 HD2 ARG B 16 5.775 12.542 1.674 1.00 0.00 H new ATOM 0 HD3 ARG B 16 6.691 12.277 3.145 1.00 0.00 H new ATOM 0 HE ARG B 16 8.720 12.669 1.406 1.00 0.00 H new ATOM 0 HH11 ARG B 16 5.712 14.474 1.888 1.00 0.00 H new ATOM 0 HH12 ARG B 16 6.401 15.984 1.283 1.00 0.00 H new ATOM 0 HH21 ARG B 16 9.567 14.560 0.587 1.00 0.00 H new ATOM 0 HH22 ARG B 16 8.590 16.032 0.544 1.00 0.00 H new ATOM 603 N GLN B 17 6.848 6.402 2.859 1.00 0.00 N ATOM 604 CA GLN B 17 6.755 5.312 3.804 1.00 0.00 C ATOM 605 C GLN B 17 7.902 5.454 4.784 1.00 0.00 C ATOM 606 O GLN B 17 9.057 5.298 4.404 1.00 0.00 O ATOM 607 CB GLN B 17 6.815 3.960 3.083 1.00 0.00 C ATOM 608 CG GLN B 17 6.223 2.806 3.885 1.00 0.00 C ATOM 609 CD GLN B 17 7.147 2.297 4.978 1.00 0.00 C ATOM 610 OE1 GLN B 17 6.693 1.893 6.047 1.00 0.00 O ATOM 611 NE2 GLN B 17 8.447 2.305 4.719 1.00 0.00 N ATOM 0 H GLN B 17 7.707 6.409 2.309 1.00 0.00 H new ATOM 0 HA GLN B 17 5.802 5.350 4.332 1.00 0.00 H new ATOM 0 HB2 GLN B 17 6.284 4.041 2.135 1.00 0.00 H new ATOM 0 HB3 GLN B 17 7.854 3.731 2.847 1.00 0.00 H new ATOM 0 HG2 GLN B 17 5.284 3.129 4.334 1.00 0.00 H new ATOM 0 HG3 GLN B 17 5.987 1.986 3.207 1.00 0.00 H new ATOM 0 HE21 GLN B 17 8.786 2.648 3.820 1.00 0.00 H new ATOM 0 HE22 GLN B 17 9.108 1.968 5.419 1.00 0.00 H new ATOM 620 N LYS B 18 7.575 5.766 6.030 1.00 0.00 N ATOM 621 CA LYS B 18 8.567 5.973 7.081 1.00 0.00 C ATOM 622 C LYS B 18 9.283 7.301 6.854 1.00 0.00 C ATOM 623 O LYS B 18 10.506 7.401 6.968 1.00 0.00 O ATOM 624 CB LYS B 18 9.567 4.812 7.163 1.00 0.00 C ATOM 625 CG LYS B 18 9.561 4.087 8.503 1.00 0.00 C ATOM 626 CD LYS B 18 8.554 2.943 8.535 1.00 0.00 C ATOM 627 CE LYS B 18 7.199 3.379 9.075 1.00 0.00 C ATOM 628 NZ LYS B 18 6.279 3.827 7.997 1.00 0.00 N ATOM 0 H LYS B 18 6.612 5.884 6.344 1.00 0.00 H new ATOM 0 HA LYS B 18 8.048 6.006 8.039 1.00 0.00 H new ATOM 0 HB2 LYS B 18 9.343 4.096 6.372 1.00 0.00 H new ATOM 0 HB3 LYS B 18 10.570 5.195 6.972 1.00 0.00 H new ATOM 0 HG2 LYS B 18 10.558 3.697 8.707 1.00 0.00 H new ATOM 0 HG3 LYS B 18 9.327 4.796 9.297 1.00 0.00 H new ATOM 0 HD2 LYS B 18 8.430 2.543 7.529 1.00 0.00 H new ATOM 0 HD3 LYS B 18 8.946 2.135 9.153 1.00 0.00 H new ATOM 0 HE2 LYS B 18 6.743 2.551 9.618 1.00 0.00 H new ATOM 0 HE3 LYS B 18 7.339 4.190 9.790 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 5.309 3.525 8.221 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 6.311 4.864 7.922 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 6.573 3.406 7.093 1.00 0.00 H new ATOM 642 N LYS B 19 8.478 8.305 6.502 1.00 0.00 N ATOM 643 CA LYS B 19 8.936 9.680 6.276 1.00 0.00 C ATOM 644 C LYS B 19 9.898 9.825 5.094 1.00 0.00 C ATOM 645 O LYS B 19 10.639 10.802 5.015 1.00 0.00 O ATOM 646 CB LYS B 19 9.564 10.258 7.552 1.00 0.00 C ATOM 647 CG LYS B 19 8.543 10.826 8.530 1.00 0.00 C ATOM 648 CD LYS B 19 7.601 9.748 9.046 1.00 0.00 C ATOM 649 CE LYS B 19 6.378 10.340 9.723 1.00 0.00 C ATOM 650 NZ LYS B 19 5.497 9.284 10.282 1.00 0.00 N ATOM 0 H LYS B 19 7.475 8.186 6.363 1.00 0.00 H new ATOM 0 HA LYS B 19 8.046 10.252 6.014 1.00 0.00 H new ATOM 0 HB2 LYS B 19 10.137 9.477 8.051 1.00 0.00 H new ATOM 0 HB3 LYS B 19 10.268 11.044 7.277 1.00 0.00 H new ATOM 0 HG2 LYS B 19 9.061 11.289 9.370 1.00 0.00 H new ATOM 0 HG3 LYS B 19 7.966 11.610 8.040 1.00 0.00 H new ATOM 0 HD2 LYS B 19 7.286 9.115 8.217 1.00 0.00 H new ATOM 0 HD3 LYS B 19 8.132 9.109 9.751 1.00 0.00 H new ATOM 0 HE2 LYS B 19 6.693 11.012 10.521 1.00 0.00 H new ATOM 0 HE3 LYS B 19 5.818 10.939 9.005 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 4.672 9.725 10.737 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 5.177 8.658 9.516 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 6.024 8.729 10.986 1.00 0.00 H new ATOM 664 N GLN B 20 9.874 8.881 4.163 1.00 0.00 N ATOM 665 CA GLN B 20 10.735 8.967 2.989 1.00 0.00 C ATOM 666 C GLN B 20 9.889 8.818 1.735 1.00 0.00 C ATOM 667 O GLN B 20 9.110 7.871 1.610 1.00 0.00 O ATOM 668 CB GLN B 20 11.862 7.927 3.026 1.00 0.00 C ATOM 669 CG GLN B 20 11.388 6.499 3.202 1.00 0.00 C ATOM 670 CD GLN B 20 12.524 5.537 3.469 1.00 0.00 C ATOM 671 OE1 GLN B 20 13.068 4.924 2.552 1.00 0.00 O ATOM 672 NE2 GLN B 20 12.893 5.401 4.732 1.00 0.00 N ATOM 0 H GLN B 20 9.276 8.056 4.195 1.00 0.00 H new ATOM 0 HA GLN B 20 11.218 9.944 2.984 1.00 0.00 H new ATOM 0 HB2 GLN B 20 12.434 7.996 2.101 1.00 0.00 H new ATOM 0 HB3 GLN B 20 12.542 8.175 3.841 1.00 0.00 H new ATOM 0 HG2 GLN B 20 10.678 6.455 4.028 1.00 0.00 H new ATOM 0 HG3 GLN B 20 10.854 6.184 2.305 1.00 0.00 H new ATOM 0 HE21 GLN B 20 12.415 5.928 5.463 1.00 0.00 H new ATOM 0 HE22 GLN B 20 13.656 4.769 4.975 1.00 0.00 H new ATOM 681 N ASP B 21 10.021 9.773 0.831 1.00 0.00 N ATOM 682 CA ASP B 21 9.247 9.774 -0.404 1.00 0.00 C ATOM 683 C ASP B 21 9.741 8.757 -1.415 1.00 0.00 C ATOM 684 O ASP B 21 10.934 8.637 -1.695 1.00 0.00 O ATOM 685 CB ASP B 21 9.171 11.181 -1.019 1.00 0.00 C ATOM 686 CG ASP B 21 10.366 12.051 -0.683 1.00 0.00 C ATOM 687 OD1 ASP B 21 11.370 12.004 -1.410 1.00 0.00 O ATOM 688 OD2 ASP B 21 10.283 12.790 0.329 1.00 0.00 O ATOM 0 H ASP B 21 10.659 10.563 0.927 1.00 0.00 H new ATOM 0 HA ASP B 21 8.237 9.469 -0.130 1.00 0.00 H new ATOM 0 HB2 ASP B 21 9.089 11.092 -2.102 1.00 0.00 H new ATOM 0 HB3 ASP B 21 8.263 11.673 -0.670 1.00 0.00 H new ATOM 693 N GLY B 22 8.789 7.995 -1.924 1.00 0.00 N ATOM 694 CA GLY B 22 9.068 6.988 -2.904 1.00 0.00 C ATOM 695 C GLY B 22 7.876 6.706 -3.777 1.00 0.00 C ATOM 696 O GLY B 22 7.097 7.602 -4.087 1.00 0.00 O ATOM 0 H GLY B 22 7.805 8.065 -1.663 1.00 0.00 H new ATOM 0 HA2 GLY B 22 9.905 7.308 -3.525 1.00 0.00 H new ATOM 0 HA3 GLY B 22 9.376 6.070 -2.403 1.00 0.00 H new ATOM 700 N ALA B 23 7.703 5.452 -4.127 1.00 0.00 N ATOM 701 CA ALA B 23 6.620 5.045 -4.983 1.00 0.00 C ATOM 702 C ALA B 23 6.056 3.723 -4.501 1.00 0.00 C ATOM 703 O ALA B 23 6.805 2.831 -4.093 1.00 0.00 O ATOM 704 CB ALA B 23 7.118 4.938 -6.411 1.00 0.00 C ATOM 0 H ALA B 23 8.309 4.689 -3.825 1.00 0.00 H new ATOM 0 HA ALA B 23 5.822 5.787 -4.950 1.00 0.00 H new ATOM 0 HB1 ALA B 23 6.298 4.630 -7.060 1.00 0.00 H new ATOM 0 HB2 ALA B 23 7.495 5.907 -6.738 1.00 0.00 H new ATOM 0 HB3 ALA B 23 7.919 4.200 -6.463 1.00 0.00 H new ATOM 710 N LEU B 24 4.746 3.595 -4.553 1.00 0.00 N ATOM 711 CA LEU B 24 4.088 2.386 -4.102 1.00 0.00 C ATOM 712 C LEU B 24 3.714 1.553 -5.322 1.00 0.00 C ATOM 713 O LEU B 24 2.919 1.976 -6.159 1.00 0.00 O ATOM 714 CB LEU B 24 2.846 2.747 -3.278 1.00 0.00 C ATOM 715 CG LEU B 24 2.471 1.774 -2.154 1.00 0.00 C ATOM 716 CD1 LEU B 24 1.081 2.087 -1.627 1.00 0.00 C ATOM 717 CD2 LEU B 24 2.550 0.333 -2.618 1.00 0.00 C ATOM 0 H LEU B 24 4.115 4.315 -4.904 1.00 0.00 H new ATOM 0 HA LEU B 24 4.755 1.805 -3.465 1.00 0.00 H new ATOM 0 HB2 LEU B 24 3.001 3.733 -2.840 1.00 0.00 H new ATOM 0 HB3 LEU B 24 1.997 2.830 -3.957 1.00 0.00 H new ATOM 0 HG LEU B 24 3.192 1.902 -1.347 1.00 0.00 H new ATOM 0 HD11 LEU B 24 0.828 1.388 -0.830 1.00 0.00 H new ATOM 0 HD12 LEU B 24 1.060 3.105 -1.238 1.00 0.00 H new ATOM 0 HD13 LEU B 24 0.356 1.993 -2.435 1.00 0.00 H new ATOM 0 HD21 LEU B 24 2.278 -0.329 -1.796 1.00 0.00 H new ATOM 0 HD22 LEU B 24 1.862 0.180 -3.450 1.00 0.00 H new ATOM 0 HD23 LEU B 24 3.567 0.110 -2.942 1.00 0.00 H new ATOM 729 N TYR B 25 4.301 0.378 -5.420 1.00 0.00 N ATOM 730 CA TYR B 25 4.054 -0.507 -6.552 1.00 0.00 C ATOM 731 C TYR B 25 3.218 -1.721 -6.159 1.00 0.00 C ATOM 732 O TYR B 25 3.623 -2.522 -5.316 1.00 0.00 O ATOM 733 CB TYR B 25 5.377 -0.992 -7.154 1.00 0.00 C ATOM 734 CG TYR B 25 6.239 0.099 -7.751 1.00 0.00 C ATOM 735 CD1 TYR B 25 7.168 0.782 -6.975 1.00 0.00 C ATOM 736 CD2 TYR B 25 6.137 0.430 -9.095 1.00 0.00 C ATOM 737 CE1 TYR B 25 7.967 1.766 -7.522 1.00 0.00 C ATOM 738 CE2 TYR B 25 6.935 1.412 -9.650 1.00 0.00 C ATOM 739 CZ TYR B 25 7.847 2.077 -8.860 1.00 0.00 C ATOM 740 OH TYR B 25 8.642 3.055 -9.410 1.00 0.00 O ATOM 0 H TYR B 25 4.955 0.008 -4.730 1.00 0.00 H new ATOM 0 HA TYR B 25 3.497 0.073 -7.288 1.00 0.00 H new ATOM 0 HB2 TYR B 25 5.947 -1.503 -6.378 1.00 0.00 H new ATOM 0 HB3 TYR B 25 5.160 -1.729 -7.928 1.00 0.00 H new ATOM 0 HD1 TYR B 25 7.266 0.539 -5.927 1.00 0.00 H new ATOM 0 HD2 TYR B 25 5.422 -0.088 -9.717 1.00 0.00 H new ATOM 0 HE1 TYR B 25 8.682 2.290 -6.905 1.00 0.00 H new ATOM 0 HE2 TYR B 25 6.844 1.657 -10.698 1.00 0.00 H new ATOM 0 HH TYR B 25 8.432 3.150 -10.363 1.00 0.00 H new ATOM 750 N LEU B 26 2.053 -1.853 -6.773 1.00 0.00 N ATOM 751 CA LEU B 26 1.185 -2.996 -6.523 1.00 0.00 C ATOM 752 C LEU B 26 1.516 -4.080 -7.533 1.00 0.00 C ATOM 753 O LEU B 26 1.599 -3.798 -8.726 1.00 0.00 O ATOM 754 CB LEU B 26 -0.296 -2.624 -6.655 1.00 0.00 C ATOM 755 CG LEU B 26 -0.797 -1.534 -5.712 1.00 0.00 C ATOM 756 CD1 LEU B 26 -2.315 -1.505 -5.688 1.00 0.00 C ATOM 757 CD2 LEU B 26 -0.266 -1.746 -4.318 1.00 0.00 C ATOM 0 H LEU B 26 1.685 -1.183 -7.449 1.00 0.00 H new ATOM 0 HA LEU B 26 1.353 -3.342 -5.503 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -0.480 -2.303 -7.680 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -0.892 -3.522 -6.490 1.00 0.00 H new ATOM 0 HG LEU B 26 -0.432 -0.576 -6.082 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -2.653 -0.721 -5.010 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.691 -1.304 -6.691 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.692 -2.469 -5.346 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -0.636 -0.957 -3.664 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -0.600 -2.714 -3.945 1.00 0.00 H new ATOM 0 HD23 LEU B 26 0.824 -1.721 -4.336 1.00 0.00 H new ATOM 769 N MET B 27 1.722 -5.301 -7.072 1.00 0.00 N ATOM 770 CA MET B 27 2.045 -6.402 -7.968 1.00 0.00 C ATOM 771 C MET B 27 0.970 -7.476 -7.904 1.00 0.00 C ATOM 772 O MET B 27 0.166 -7.500 -6.975 1.00 0.00 O ATOM 773 CB MET B 27 3.414 -7.001 -7.631 1.00 0.00 C ATOM 774 CG MET B 27 4.561 -6.013 -7.760 1.00 0.00 C ATOM 775 SD MET B 27 6.108 -6.656 -7.093 1.00 0.00 S ATOM 776 CE MET B 27 7.189 -5.256 -7.346 1.00 0.00 C ATOM 0 H MET B 27 1.672 -5.557 -6.086 1.00 0.00 H new ATOM 0 HA MET B 27 2.085 -6.008 -8.983 1.00 0.00 H new ATOM 0 HB2 MET B 27 3.391 -7.387 -6.612 1.00 0.00 H new ATOM 0 HB3 MET B 27 3.601 -7.850 -8.289 1.00 0.00 H new ATOM 0 HG2 MET B 27 4.700 -5.759 -8.811 1.00 0.00 H new ATOM 0 HG3 MET B 27 4.301 -5.091 -7.241 1.00 0.00 H new ATOM 0 HE1 MET B 27 8.055 -5.342 -6.690 1.00 0.00 H new ATOM 0 HE2 MET B 27 7.520 -5.235 -8.384 1.00 0.00 H new ATOM 0 HE3 MET B 27 6.652 -4.335 -7.118 1.00 0.00 H new ATOM 786 N ALA B 28 1.003 -8.373 -8.880 1.00 0.00 N ATOM 787 CA ALA B 28 0.022 -9.450 -9.019 1.00 0.00 C ATOM 788 C ALA B 28 -0.309 -10.171 -7.711 1.00 0.00 C ATOM 789 O ALA B 28 -1.480 -10.308 -7.357 1.00 0.00 O ATOM 790 CB ALA B 28 0.519 -10.455 -10.044 1.00 0.00 C ATOM 0 H ALA B 28 1.718 -8.377 -9.607 1.00 0.00 H new ATOM 0 HA ALA B 28 -0.905 -8.979 -9.346 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -0.210 -11.258 -10.149 1.00 0.00 H new ATOM 0 HB2 ALA B 28 0.653 -9.958 -11.005 1.00 0.00 H new ATOM 0 HB3 ALA B 28 1.471 -10.870 -9.714 1.00 0.00 H new ATOM 796 N GLU B 29 0.705 -10.628 -6.997 1.00 0.00 N ATOM 797 CA GLU B 29 0.478 -11.363 -5.760 1.00 0.00 C ATOM 798 C GLU B 29 1.078 -10.668 -4.543 1.00 0.00 C ATOM 799 O GLU B 29 1.061 -11.228 -3.440 1.00 0.00 O ATOM 800 CB GLU B 29 1.055 -12.782 -5.874 1.00 0.00 C ATOM 801 CG GLU B 29 2.208 -12.923 -6.863 1.00 0.00 C ATOM 802 CD GLU B 29 3.379 -12.004 -6.564 1.00 0.00 C ATOM 803 OE1 GLU B 29 3.372 -10.854 -7.051 1.00 0.00 O ATOM 804 OE2 GLU B 29 4.312 -12.426 -5.848 1.00 0.00 O ATOM 0 H GLU B 29 1.686 -10.506 -7.248 1.00 0.00 H new ATOM 0 HA GLU B 29 -0.601 -11.406 -5.614 1.00 0.00 H new ATOM 0 HB2 GLU B 29 1.398 -13.101 -4.889 1.00 0.00 H new ATOM 0 HB3 GLU B 29 0.256 -13.462 -6.169 1.00 0.00 H new ATOM 0 HG2 GLU B 29 2.556 -13.956 -6.858 1.00 0.00 H new ATOM 0 HG3 GLU B 29 1.841 -12.716 -7.868 1.00 0.00 H new ATOM 811 N ARG B 30 1.566 -9.447 -4.705 1.00 0.00 N ATOM 812 CA ARG B 30 2.182 -8.763 -3.574 1.00 0.00 C ATOM 813 C ARG B 30 2.253 -7.257 -3.759 1.00 0.00 C ATOM 814 O ARG B 30 2.052 -6.739 -4.847 1.00 0.00 O ATOM 815 CB ARG B 30 3.592 -9.316 -3.341 1.00 0.00 C ATOM 816 CG ARG B 30 4.568 -9.005 -4.462 1.00 0.00 C ATOM 817 CD ARG B 30 5.807 -9.878 -4.373 1.00 0.00 C ATOM 818 NE ARG B 30 6.859 -9.438 -5.286 1.00 0.00 N ATOM 819 CZ ARG B 30 7.085 -9.986 -6.482 1.00 0.00 C ATOM 820 NH1 ARG B 30 6.315 -10.963 -6.929 1.00 0.00 N ATOM 821 NH2 ARG B 30 8.079 -9.550 -7.246 1.00 0.00 N ATOM 0 H ARG B 30 1.551 -8.921 -5.579 1.00 0.00 H new ATOM 0 HA ARG B 30 1.549 -8.951 -2.707 1.00 0.00 H new ATOM 0 HB2 ARG B 30 3.982 -8.908 -2.409 1.00 0.00 H new ATOM 0 HB3 ARG B 30 3.531 -10.397 -3.215 1.00 0.00 H new ATOM 0 HG2 ARG B 30 4.080 -9.159 -5.425 1.00 0.00 H new ATOM 0 HG3 ARG B 30 4.856 -7.955 -4.415 1.00 0.00 H new ATOM 0 HD2 ARG B 30 6.186 -9.865 -3.351 1.00 0.00 H new ATOM 0 HD3 ARG B 30 5.539 -10.910 -4.600 1.00 0.00 H new ATOM 0 HE ARG B 30 7.457 -8.666 -4.992 1.00 0.00 H new ATOM 0 HH11 ARG B 30 5.541 -11.304 -6.359 1.00 0.00 H new ATOM 0 HH12 ARG B 30 6.495 -11.376 -7.844 1.00 0.00 H new ATOM 0 HH21 ARG B 30 8.677 -8.791 -6.920 1.00 0.00 H new ATOM 0 HH22 ARG B 30 8.245 -9.974 -8.159 1.00 0.00 H new ATOM 835 N ILE B 31 2.533 -6.568 -2.667 1.00 0.00 N ATOM 836 CA ILE B 31 2.668 -5.124 -2.668 1.00 0.00 C ATOM 837 C ILE B 31 4.116 -4.771 -2.338 1.00 0.00 C ATOM 838 O ILE B 31 4.720 -5.379 -1.453 1.00 0.00 O ATOM 839 CB ILE B 31 1.699 -4.466 -1.652 1.00 0.00 C ATOM 840 CG1 ILE B 31 1.896 -2.950 -1.609 1.00 0.00 C ATOM 841 CG2 ILE B 31 1.874 -5.067 -0.263 1.00 0.00 C ATOM 842 CD1 ILE B 31 0.883 -2.234 -0.740 1.00 0.00 C ATOM 0 H ILE B 31 2.673 -6.997 -1.752 1.00 0.00 H new ATOM 0 HA ILE B 31 2.407 -4.740 -3.654 1.00 0.00 H new ATOM 0 HB ILE B 31 0.681 -4.668 -1.985 1.00 0.00 H new ATOM 0 HG12 ILE B 31 2.898 -2.732 -1.240 1.00 0.00 H new ATOM 0 HG13 ILE B 31 1.837 -2.555 -2.623 1.00 0.00 H new ATOM 0 HG21 ILE B 31 1.183 -4.588 0.430 1.00 0.00 H new ATOM 0 HG22 ILE B 31 1.667 -6.137 -0.301 1.00 0.00 H new ATOM 0 HG23 ILE B 31 2.897 -4.907 0.076 1.00 0.00 H new ATOM 0 HD11 ILE B 31 1.083 -1.163 -0.756 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -0.121 -2.422 -1.121 1.00 0.00 H new ATOM 0 HD13 ILE B 31 0.957 -2.602 0.283 1.00 0.00 H new ATOM 854 N ALA B 32 4.689 -3.825 -3.065 1.00 0.00 N ATOM 855 CA ALA B 32 6.069 -3.440 -2.833 1.00 0.00 C ATOM 856 C ALA B 32 6.238 -1.929 -2.854 1.00 0.00 C ATOM 857 O ALA B 32 5.408 -1.206 -3.401 1.00 0.00 O ATOM 858 CB ALA B 32 6.973 -4.086 -3.870 1.00 0.00 C ATOM 0 H ALA B 32 4.223 -3.314 -3.815 1.00 0.00 H new ATOM 0 HA ALA B 32 6.353 -3.792 -1.841 1.00 0.00 H new ATOM 0 HB1 ALA B 32 8.006 -3.791 -3.687 1.00 0.00 H new ATOM 0 HB2 ALA B 32 6.888 -5.171 -3.802 1.00 0.00 H new ATOM 0 HB3 ALA B 32 6.674 -3.761 -4.866 1.00 0.00 H new ATOM 864 N TRP B 33 7.321 -1.459 -2.258 1.00 0.00 N ATOM 865 CA TRP B 33 7.601 -0.037 -2.211 1.00 0.00 C ATOM 866 C TRP B 33 9.076 0.225 -2.511 1.00 0.00 C ATOM 867 O TRP B 33 9.948 -0.552 -2.117 1.00 0.00 O ATOM 868 CB TRP B 33 7.207 0.538 -0.847 1.00 0.00 C ATOM 869 CG TRP B 33 7.307 2.028 -0.796 1.00 0.00 C ATOM 870 CD1 TRP B 33 6.329 2.932 -1.090 1.00 0.00 C ATOM 871 CD2 TRP B 33 8.462 2.787 -0.447 1.00 0.00 C ATOM 872 NE1 TRP B 33 6.812 4.207 -0.949 1.00 0.00 N ATOM 873 CE2 TRP B 33 8.119 4.141 -0.554 1.00 0.00 C ATOM 874 CE3 TRP B 33 9.754 2.450 -0.053 1.00 0.00 C ATOM 875 CZ2 TRP B 33 9.023 5.158 -0.290 1.00 0.00 C ATOM 876 CZ3 TRP B 33 10.651 3.459 0.211 1.00 0.00 C ATOM 877 CH2 TRP B 33 10.283 4.803 0.091 1.00 0.00 C ATOM 0 H TRP B 33 8.020 -2.043 -1.800 1.00 0.00 H new ATOM 0 HA TRP B 33 7.006 0.464 -2.975 1.00 0.00 H new ATOM 0 HB2 TRP B 33 6.185 0.239 -0.613 1.00 0.00 H new ATOM 0 HB3 TRP B 33 7.849 0.109 -0.078 1.00 0.00 H new ATOM 0 HD1 TRP B 33 5.322 2.680 -1.390 1.00 0.00 H new ATOM 0 HE1 TRP B 33 6.283 5.064 -1.112 1.00 0.00 H new ATOM 0 HE3 TRP B 33 10.047 1.415 0.044 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 8.739 6.196 -0.383 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 11.656 3.209 0.516 1.00 0.00 H new ATOM 0 HH2 TRP B 33 11.010 5.573 0.304 1.00 0.00 H new ATOM 888 N ALA B 34 9.333 1.319 -3.216 1.00 0.00 N ATOM 889 CA ALA B 34 10.677 1.720 -3.609 1.00 0.00 C ATOM 890 C ALA B 34 10.773 3.237 -3.610 1.00 0.00 C ATOM 891 O ALA B 34 9.852 3.895 -4.080 1.00 0.00 O ATOM 892 CB ALA B 34 11.027 1.166 -4.982 1.00 0.00 C ATOM 0 H ALA B 34 8.606 1.960 -3.534 1.00 0.00 H new ATOM 0 HA ALA B 34 11.390 1.314 -2.892 1.00 0.00 H new ATOM 0 HB1 ALA B 34 12.035 1.478 -5.254 1.00 0.00 H new ATOM 0 HB2 ALA B 34 10.979 0.077 -4.958 1.00 0.00 H new ATOM 0 HB3 ALA B 34 10.318 1.545 -5.719 1.00 0.00 H new ATOM 898 N PRO B 35 11.846 3.820 -3.046 1.00 0.00 N ATOM 899 CA PRO B 35 12.013 5.278 -3.009 1.00 0.00 C ATOM 900 C PRO B 35 11.915 5.904 -4.403 1.00 0.00 C ATOM 901 O PRO B 35 12.158 5.236 -5.413 1.00 0.00 O ATOM 902 CB PRO B 35 13.403 5.487 -2.407 1.00 0.00 C ATOM 903 CG PRO B 35 14.076 4.154 -2.484 1.00 0.00 C ATOM 904 CD PRO B 35 12.982 3.125 -2.427 1.00 0.00 C ATOM 0 HA PRO B 35 11.227 5.759 -2.427 1.00 0.00 H new ATOM 0 HB2 PRO B 35 13.961 6.241 -2.961 1.00 0.00 H new ATOM 0 HB3 PRO B 35 13.336 5.834 -1.376 1.00 0.00 H new ATOM 0 HG2 PRO B 35 14.650 4.061 -3.406 1.00 0.00 H new ATOM 0 HG3 PRO B 35 14.776 4.024 -1.659 1.00 0.00 H new ATOM 0 HD2 PRO B 35 13.249 2.221 -2.974 1.00 0.00 H new ATOM 0 HD3 PRO B 35 12.762 2.825 -1.402 1.00 0.00 H new ATOM 992 N PHE B 41 13.182 -2.195 -5.030 1.00 0.00 N ATOM 993 CA PHE B 41 12.149 -2.146 -4.006 1.00 0.00 C ATOM 994 C PHE B 41 12.744 -2.478 -2.643 1.00 0.00 C ATOM 995 O PHE B 41 13.518 -3.428 -2.508 1.00 0.00 O ATOM 996 CB PHE B 41 11.023 -3.127 -4.345 1.00 0.00 C ATOM 997 CG PHE B 41 10.566 -3.042 -5.776 1.00 0.00 C ATOM 998 CD1 PHE B 41 9.627 -2.101 -6.165 1.00 0.00 C ATOM 999 CD2 PHE B 41 11.085 -3.900 -6.733 1.00 0.00 C ATOM 1000 CE1 PHE B 41 9.213 -2.018 -7.480 1.00 0.00 C ATOM 1001 CE2 PHE B 41 10.673 -3.823 -8.050 1.00 0.00 C ATOM 1002 CZ PHE B 41 9.736 -2.879 -8.423 1.00 0.00 C ATOM 0 HA PHE B 41 11.736 -1.138 -3.972 1.00 0.00 H new ATOM 0 HB2 PHE B 41 11.362 -4.142 -4.139 1.00 0.00 H new ATOM 0 HB3 PHE B 41 10.174 -2.935 -3.688 1.00 0.00 H new ATOM 0 HD1 PHE B 41 9.214 -1.424 -5.432 1.00 0.00 H new ATOM 0 HD2 PHE B 41 11.820 -4.637 -6.446 1.00 0.00 H new ATOM 0 HE1 PHE B 41 8.480 -1.280 -7.770 1.00 0.00 H new ATOM 0 HE2 PHE B 41 11.083 -4.499 -8.786 1.00 0.00 H new ATOM 0 HZ PHE B 41 9.413 -2.815 -9.452 1.00 0.00 H new ATOM 1012 N THR B 42 12.399 -1.686 -1.645 1.00 0.00 N ATOM 1013 CA THR B 42 12.903 -1.888 -0.299 1.00 0.00 C ATOM 1014 C THR B 42 11.944 -2.724 0.538 1.00 0.00 C ATOM 1015 O THR B 42 12.367 -3.490 1.402 1.00 0.00 O ATOM 1016 CB THR B 42 13.137 -0.537 0.395 1.00 0.00 C ATOM 1017 OG1 THR B 42 12.213 0.433 -0.117 1.00 0.00 O ATOM 1018 CG2 THR B 42 14.561 -0.056 0.175 1.00 0.00 C ATOM 0 H THR B 42 11.767 -0.891 -1.742 1.00 0.00 H new ATOM 0 HA THR B 42 13.847 -2.426 -0.384 1.00 0.00 H new ATOM 0 HB THR B 42 12.979 -0.665 1.466 1.00 0.00 H new ATOM 0 HG1 THR B 42 12.362 1.294 0.328 1.00 0.00 H new ATOM 0 HG21 THR B 42 14.703 0.902 0.675 1.00 0.00 H new ATOM 0 HG22 THR B 42 15.259 -0.786 0.584 1.00 0.00 H new ATOM 0 HG23 THR B 42 14.744 0.062 -0.893 1.00 0.00 H new ATOM 1026 N ILE B 43 10.657 -2.584 0.262 1.00 0.00 N ATOM 1027 CA ILE B 43 9.634 -3.309 0.999 1.00 0.00 C ATOM 1028 C ILE B 43 8.784 -4.160 0.057 1.00 0.00 C ATOM 1029 O ILE B 43 8.456 -3.730 -1.046 1.00 0.00 O ATOM 1030 CB ILE B 43 8.742 -2.322 1.796 1.00 0.00 C ATOM 1031 CG1 ILE B 43 9.425 -1.955 3.117 1.00 0.00 C ATOM 1032 CG2 ILE B 43 7.351 -2.892 2.052 1.00 0.00 C ATOM 1033 CD1 ILE B 43 8.663 -0.937 3.936 1.00 0.00 C ATOM 0 H ILE B 43 10.295 -1.973 -0.470 1.00 0.00 H new ATOM 0 HA ILE B 43 10.129 -3.977 1.704 1.00 0.00 H new ATOM 0 HB ILE B 43 8.615 -1.423 1.193 1.00 0.00 H new ATOM 0 HG12 ILE B 43 9.557 -2.860 3.711 1.00 0.00 H new ATOM 0 HG13 ILE B 43 10.420 -1.565 2.905 1.00 0.00 H new ATOM 0 HG21 ILE B 43 6.759 -2.169 2.613 1.00 0.00 H new ATOM 0 HG22 ILE B 43 6.862 -3.101 1.100 1.00 0.00 H new ATOM 0 HG23 ILE B 43 7.436 -3.815 2.626 1.00 0.00 H new ATOM 0 HD11 ILE B 43 9.209 -0.728 4.856 1.00 0.00 H new ATOM 0 HD12 ILE B 43 8.553 -0.017 3.362 1.00 0.00 H new ATOM 0 HD13 ILE B 43 7.677 -1.332 4.181 1.00 0.00 H new ATOM 1045 N SER B 44 8.470 -5.375 0.492 1.00 0.00 N ATOM 1046 CA SER B 44 7.654 -6.299 -0.281 1.00 0.00 C ATOM 1047 C SER B 44 6.824 -7.157 0.672 1.00 0.00 C ATOM 1048 O SER B 44 7.366 -7.730 1.616 1.00 0.00 O ATOM 1049 CB SER B 44 8.545 -7.186 -1.161 1.00 0.00 C ATOM 1050 OG SER B 44 7.773 -8.039 -1.993 1.00 0.00 O ATOM 0 H SER B 44 8.775 -5.746 1.392 1.00 0.00 H new ATOM 0 HA SER B 44 6.985 -5.735 -0.931 1.00 0.00 H new ATOM 0 HB2 SER B 44 9.188 -6.559 -1.779 1.00 0.00 H new ATOM 0 HB3 SER B 44 9.199 -7.787 -0.529 1.00 0.00 H new ATOM 0 HG SER B 44 8.370 -8.589 -2.542 1.00 0.00 H new ATOM 1056 N HIS B 45 5.519 -7.248 0.431 1.00 0.00 N ATOM 1057 CA HIS B 45 4.630 -8.024 1.277 1.00 0.00 C ATOM 1058 C HIS B 45 3.595 -8.693 0.409 1.00 0.00 C ATOM 1059 O HIS B 45 2.938 -8.036 -0.397 1.00 0.00 O ATOM 1060 CB HIS B 45 3.915 -7.142 2.315 1.00 0.00 C ATOM 1061 CG HIS B 45 4.822 -6.433 3.275 1.00 0.00 C ATOM 1062 ND1 HIS B 45 5.644 -7.073 4.175 1.00 0.00 N ATOM 1063 CD2 HIS B 45 5.020 -5.103 3.467 1.00 0.00 C ATOM 1064 CE1 HIS B 45 6.302 -6.135 4.872 1.00 0.00 C ATOM 1065 NE2 HIS B 45 5.961 -4.924 4.478 1.00 0.00 N ATOM 0 H HIS B 45 5.055 -6.788 -0.352 1.00 0.00 H new ATOM 0 HA HIS B 45 5.228 -8.761 1.814 1.00 0.00 H new ATOM 0 HB2 HIS B 45 3.316 -6.399 1.788 1.00 0.00 H new ATOM 0 HB3 HIS B 45 3.223 -7.764 2.883 1.00 0.00 H new ATOM 0 HD2 HIS B 45 4.527 -4.311 2.923 1.00 0.00 H new ATOM 0 HE1 HIS B 45 7.017 -6.344 5.654 1.00 0.00 H new ATOM 0 HE2 HIS B 45 6.314 -4.038 4.839 1.00 0.00 H new ATOM 1073 N MET B 46 3.459 -9.990 0.543 1.00 0.00 N ATOM 1074 CA MET B 46 2.481 -10.704 -0.236 1.00 0.00 C ATOM 1075 C MET B 46 1.117 -10.469 0.379 1.00 0.00 C ATOM 1076 O MET B 46 0.997 -10.304 1.589 1.00 0.00 O ATOM 1077 CB MET B 46 2.807 -12.194 -0.284 1.00 0.00 C ATOM 1078 CG MET B 46 3.917 -12.547 -1.261 1.00 0.00 C ATOM 1079 SD MET B 46 4.027 -14.316 -1.596 1.00 0.00 S ATOM 1080 CE MET B 46 2.606 -14.548 -2.661 1.00 0.00 C ATOM 0 H MET B 46 4.009 -10.567 1.179 1.00 0.00 H new ATOM 0 HA MET B 46 2.490 -10.339 -1.263 1.00 0.00 H new ATOM 0 HB2 MET B 46 3.094 -12.526 0.714 1.00 0.00 H new ATOM 0 HB3 MET B 46 1.907 -12.745 -0.556 1.00 0.00 H new ATOM 0 HG2 MET B 46 3.751 -12.015 -2.198 1.00 0.00 H new ATOM 0 HG3 MET B 46 4.869 -12.199 -0.861 1.00 0.00 H new ATOM 0 HE1 MET B 46 1.974 -15.339 -2.257 1.00 0.00 H new ATOM 0 HE2 MET B 46 2.037 -13.620 -2.715 1.00 0.00 H new ATOM 0 HE3 MET B 46 2.942 -14.827 -3.660 1.00 0.00 H new ATOM 1090 N TYR B 47 0.095 -10.412 -0.454 1.00 0.00 N ATOM 1091 CA TYR B 47 -1.274 -10.200 0.029 1.00 0.00 C ATOM 1092 C TYR B 47 -1.704 -11.296 1.011 1.00 0.00 C ATOM 1093 O TYR B 47 -2.713 -11.164 1.697 1.00 0.00 O ATOM 1094 CB TYR B 47 -2.263 -10.127 -1.135 1.00 0.00 C ATOM 1095 CG TYR B 47 -1.924 -9.071 -2.163 1.00 0.00 C ATOM 1096 CD1 TYR B 47 -1.536 -7.797 -1.774 1.00 0.00 C ATOM 1097 CD2 TYR B 47 -1.990 -9.350 -3.520 1.00 0.00 C ATOM 1098 CE1 TYR B 47 -1.224 -6.832 -2.709 1.00 0.00 C ATOM 1099 CE2 TYR B 47 -1.680 -8.389 -4.461 1.00 0.00 C ATOM 1100 CZ TYR B 47 -1.297 -7.130 -4.049 1.00 0.00 C ATOM 1101 OH TYR B 47 -0.987 -6.168 -4.982 1.00 0.00 O ATOM 0 H TYR B 47 0.177 -10.508 -1.466 1.00 0.00 H new ATOM 0 HA TYR B 47 -1.281 -9.247 0.557 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -2.302 -11.099 -1.627 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -3.259 -9.929 -0.740 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -1.477 -7.557 -0.723 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -2.289 -10.335 -3.846 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -0.923 -5.845 -2.389 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -1.737 -8.622 -5.514 1.00 0.00 H new ATOM 0 HH TYR B 47 -0.624 -6.596 -5.785 1.00 0.00 H new ATOM 1111 N ALA B 48 -0.934 -12.373 1.069 1.00 0.00 N ATOM 1112 CA ALA B 48 -1.221 -13.478 1.971 1.00 0.00 C ATOM 1113 C ALA B 48 -0.546 -13.261 3.321 1.00 0.00 C ATOM 1114 O ALA B 48 -0.789 -14.012 4.267 1.00 0.00 O ATOM 1115 CB ALA B 48 -0.771 -14.796 1.367 1.00 0.00 C ATOM 0 H ALA B 48 -0.100 -12.505 0.497 1.00 0.00 H new ATOM 0 HA ALA B 48 -2.300 -13.517 2.124 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -0.995 -15.608 2.058 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -1.297 -14.964 0.427 1.00 0.00 H new ATOM 0 HB3 ALA B 48 0.303 -14.763 1.181 1.00 0.00 H new ATOM 1121 N ASP B 49 0.311 -12.241 3.391 1.00 0.00 N ATOM 1122 CA ASP B 49 1.020 -11.902 4.624 1.00 0.00 C ATOM 1123 C ASP B 49 0.293 -10.767 5.325 1.00 0.00 C ATOM 1124 O ASP B 49 0.664 -10.345 6.423 1.00 0.00 O ATOM 1125 CB ASP B 49 2.467 -11.459 4.352 1.00 0.00 C ATOM 1126 CG ASP B 49 3.208 -12.342 3.367 1.00 0.00 C ATOM 1127 OD1 ASP B 49 3.013 -13.574 3.398 1.00 0.00 O ATOM 1128 OD2 ASP B 49 3.990 -11.789 2.556 1.00 0.00 O ATOM 0 H ASP B 49 0.531 -11.633 2.603 1.00 0.00 H new ATOM 0 HA ASP B 49 1.045 -12.797 5.246 1.00 0.00 H new ATOM 0 HB2 ASP B 49 2.458 -10.437 3.973 1.00 0.00 H new ATOM 0 HB3 ASP B 49 3.015 -11.444 5.294 1.00 0.00 H new ATOM 1133 N ILE B 50 -0.749 -10.282 4.676 1.00 0.00 N ATOM 1134 CA ILE B 50 -1.545 -9.191 5.203 1.00 0.00 C ATOM 1135 C ILE B 50 -2.760 -9.726 5.952 1.00 0.00 C ATOM 1136 O ILE B 50 -3.568 -10.469 5.396 1.00 0.00 O ATOM 1137 CB ILE B 50 -2.022 -8.267 4.073 1.00 0.00 C ATOM 1138 CG1 ILE B 50 -0.849 -7.859 3.177 1.00 0.00 C ATOM 1139 CG2 ILE B 50 -2.712 -7.040 4.643 1.00 0.00 C ATOM 1140 CD1 ILE B 50 -1.262 -7.050 1.965 1.00 0.00 C ATOM 0 H ILE B 50 -1.066 -10.632 3.772 1.00 0.00 H new ATOM 0 HA ILE B 50 -0.915 -8.625 5.889 1.00 0.00 H new ATOM 0 HB ILE B 50 -2.742 -8.814 3.464 1.00 0.00 H new ATOM 0 HG12 ILE B 50 -0.138 -7.279 3.765 1.00 0.00 H new ATOM 0 HG13 ILE B 50 -0.328 -8.757 2.844 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -3.043 -6.397 3.828 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -3.574 -7.349 5.234 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -2.015 -6.492 5.277 1.00 0.00 H new ATOM 0 HD11 ILE B 50 -0.379 -6.797 1.378 1.00 0.00 H new ATOM 0 HD12 ILE B 50 -1.949 -7.635 1.354 1.00 0.00 H new ATOM 0 HD13 ILE B 50 -1.756 -6.134 2.290 1.00 0.00 H new ATOM 1152 N LYS B 51 -2.881 -9.339 7.208 1.00 0.00 N ATOM 1153 CA LYS B 51 -3.983 -9.776 8.050 1.00 0.00 C ATOM 1154 C LYS B 51 -5.164 -8.819 7.938 1.00 0.00 C ATOM 1155 O LYS B 51 -6.300 -9.241 7.742 1.00 0.00 O ATOM 1156 CB LYS B 51 -3.509 -9.858 9.502 1.00 0.00 C ATOM 1157 CG LYS B 51 -4.587 -10.249 10.493 1.00 0.00 C ATOM 1158 CD LYS B 51 -4.304 -9.661 11.867 1.00 0.00 C ATOM 1159 CE LYS B 51 -5.332 -10.111 12.893 1.00 0.00 C ATOM 1160 NZ LYS B 51 -6.725 -9.913 12.412 1.00 0.00 N ATOM 0 H LYS B 51 -2.222 -8.715 7.674 1.00 0.00 H new ATOM 0 HA LYS B 51 -4.312 -10.760 7.716 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -2.695 -10.581 9.565 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -3.099 -8.891 9.793 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -5.557 -9.901 10.137 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -4.645 -11.335 10.563 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -3.308 -9.961 12.193 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -4.304 -8.573 11.804 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -5.175 -11.164 13.125 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -5.186 -9.556 13.819 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -7.341 -9.683 13.218 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -6.748 -9.132 11.725 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -7.062 -10.785 11.956 1.00 0.00 H new ATOM 1174 N CYS B 52 -4.887 -7.529 8.059 1.00 0.00 N ATOM 1175 CA CYS B 52 -5.932 -6.509 7.993 1.00 0.00 C ATOM 1176 C CYS B 52 -5.436 -5.277 7.246 1.00 0.00 C ATOM 1177 O CYS B 52 -4.239 -5.137 7.010 1.00 0.00 O ATOM 1178 CB CYS B 52 -6.363 -6.109 9.409 1.00 0.00 C ATOM 1179 SG CYS B 52 -6.921 -7.488 10.439 1.00 0.00 S ATOM 0 H CYS B 52 -3.947 -7.160 8.204 1.00 0.00 H new ATOM 0 HA CYS B 52 -6.784 -6.926 7.456 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -5.526 -5.617 9.905 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -7.167 -5.376 9.337 1.00 0.00 H new ATOM 0 HG CYS B 52 -7.260 -7.044 11.613 1.00 0.00 H new ATOM 1185 N GLN B 53 -6.345 -4.380 6.878 1.00 0.00 N ATOM 1186 CA GLN B 53 -5.962 -3.165 6.180 1.00 0.00 C ATOM 1187 C GLN B 53 -6.775 -1.996 6.696 1.00 0.00 C ATOM 1188 O GLN B 53 -7.988 -2.102 6.879 1.00 0.00 O ATOM 1189 CB GLN B 53 -6.126 -3.308 4.661 1.00 0.00 C ATOM 1190 CG GLN B 53 -7.561 -3.458 4.177 1.00 0.00 C ATOM 1191 CD GLN B 53 -7.657 -3.405 2.664 1.00 0.00 C ATOM 1192 OE1 GLN B 53 -6.756 -3.853 1.959 1.00 0.00 O ATOM 1193 NE2 GLN B 53 -8.739 -2.844 2.150 1.00 0.00 N ATOM 0 H GLN B 53 -7.346 -4.473 7.052 1.00 0.00 H new ATOM 0 HA GLN B 53 -4.906 -2.981 6.376 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -5.686 -2.434 4.180 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -5.555 -4.175 4.330 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -7.967 -4.405 4.533 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -8.174 -2.666 4.607 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -9.468 -2.483 2.766 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -8.845 -2.773 1.138 1.00 0.00 H new ATOM 1202 N LYS B 54 -6.100 -0.901 6.982 1.00 0.00 N ATOM 1203 CA LYS B 54 -6.771 0.287 7.452 1.00 0.00 C ATOM 1204 C LYS B 54 -6.568 1.391 6.441 1.00 0.00 C ATOM 1205 O LYS B 54 -5.671 1.311 5.601 1.00 0.00 O ATOM 1206 CB LYS B 54 -6.216 0.812 8.770 1.00 0.00 C ATOM 1207 CG LYS B 54 -5.613 -0.181 9.737 1.00 0.00 C ATOM 1208 CD LYS B 54 -5.223 0.577 10.999 1.00 0.00 C ATOM 1209 CE LYS B 54 -5.543 -0.163 12.281 1.00 0.00 C ATOM 1210 NZ LYS B 54 -5.956 0.770 13.361 1.00 0.00 N ATOM 0 H LYS B 54 -5.087 -0.812 6.896 1.00 0.00 H new ATOM 0 HA LYS B 54 -7.817 0.013 7.593 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -5.454 1.556 8.538 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -7.022 1.333 9.287 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -6.328 -0.970 9.971 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -4.741 -0.663 9.296 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -4.154 0.787 10.969 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -5.737 1.538 11.008 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -6.340 -0.883 12.097 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -4.669 -0.730 12.603 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -6.053 0.246 14.254 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -5.237 1.513 13.472 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -6.868 1.205 13.114 1.00 0.00 H new ATOM 1224 N ILE B 55 -7.360 2.444 6.551 1.00 0.00 N ATOM 1225 CA ILE B 55 -7.216 3.585 5.639 1.00 0.00 C ATOM 1226 C ILE B 55 -7.370 4.928 6.372 1.00 0.00 C ATOM 1227 O ILE B 55 -8.390 5.184 7.011 1.00 0.00 O ATOM 1228 CB ILE B 55 -8.181 3.507 4.426 1.00 0.00 C ATOM 1229 CG1 ILE B 55 -9.641 3.666 4.827 1.00 0.00 C ATOM 1230 CG2 ILE B 55 -8.006 2.190 3.694 1.00 0.00 C ATOM 1231 CD1 ILE B 55 -10.572 3.546 3.642 1.00 0.00 C ATOM 0 H ILE B 55 -8.099 2.541 7.247 1.00 0.00 H new ATOM 0 HA ILE B 55 -6.200 3.528 5.247 1.00 0.00 H new ATOM 0 HB ILE B 55 -7.922 4.339 3.771 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -9.898 2.908 5.567 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -9.783 4.637 5.302 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -8.690 2.151 2.846 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -6.980 2.106 3.336 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -8.222 1.365 4.373 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -11.603 3.666 3.976 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -10.334 4.320 2.913 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -10.451 2.565 3.182 1.00 0.00 H new ATOM 1243 N SER B 56 -6.307 5.748 6.342 1.00 0.00 N ATOM 1244 CA SER B 56 -6.328 7.065 6.983 1.00 0.00 C ATOM 1245 C SER B 56 -7.002 8.096 6.100 1.00 0.00 C ATOM 1246 O SER B 56 -6.516 8.383 4.995 1.00 0.00 O ATOM 1247 CB SER B 56 -4.924 7.551 7.293 1.00 0.00 C ATOM 1248 OG SER B 56 -4.454 7.025 8.516 1.00 0.00 O ATOM 0 H SER B 56 -5.426 5.519 5.881 1.00 0.00 H new ATOM 0 HA SER B 56 -6.890 6.950 7.910 1.00 0.00 H new ATOM 0 HB2 SER B 56 -4.250 7.259 6.487 1.00 0.00 H new ATOM 0 HB3 SER B 56 -4.916 8.640 7.337 1.00 0.00 H new ATOM 0 HG SER B 56 -4.469 6.046 8.478 1.00 0.00 H new ATOM 1254 N PRO B 57 -8.075 8.707 6.637 1.00 0.00 N ATOM 1255 CA PRO B 57 -8.894 9.711 5.943 1.00 0.00 C ATOM 1256 C PRO B 57 -8.167 11.020 5.660 1.00 0.00 C ATOM 1257 O PRO B 57 -7.049 11.255 6.135 1.00 0.00 O ATOM 1258 CB PRO B 57 -10.004 10.014 6.942 1.00 0.00 C ATOM 1259 CG PRO B 57 -9.413 9.684 8.262 1.00 0.00 C ATOM 1260 CD PRO B 57 -8.558 8.484 8.010 1.00 0.00 C ATOM 0 HA PRO B 57 -9.209 9.325 4.973 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -10.308 11.060 6.893 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -10.892 9.414 6.743 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -8.824 10.515 8.650 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -10.187 9.470 8.999 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -7.735 8.417 8.722 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -9.127 7.558 8.093 1.00 0.00 H new ATOM 1268 N GLU B 58 -8.830 11.878 4.899 1.00 0.00 N ATOM 1269 CA GLU B 58 -8.308 13.192 4.586 1.00 0.00 C ATOM 1270 C GLU B 58 -8.568 14.121 5.768 1.00 0.00 C ATOM 1271 O GLU B 58 -9.470 13.881 6.570 1.00 0.00 O ATOM 1272 CB GLU B 58 -8.963 13.754 3.322 1.00 0.00 C ATOM 1273 CG GLU B 58 -8.429 13.149 2.033 1.00 0.00 C ATOM 1274 CD GLU B 58 -8.684 11.658 1.932 1.00 0.00 C ATOM 1275 OE1 GLU B 58 -9.808 11.222 2.246 1.00 0.00 O ATOM 1276 OE2 GLU B 58 -7.761 10.917 1.535 1.00 0.00 O ATOM 0 H GLU B 58 -9.741 11.681 4.485 1.00 0.00 H new ATOM 0 HA GLU B 58 -7.236 13.115 4.402 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -10.038 13.583 3.374 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -8.813 14.833 3.295 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -8.892 13.650 1.183 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -7.357 13.335 1.967 1.00 0.00 H new ATOM 1283 N GLY B 59 -7.776 15.169 5.878 1.00 0.00 N ATOM 1284 CA GLY B 59 -7.924 16.102 6.977 1.00 0.00 C ATOM 1285 C GLY B 59 -6.586 16.364 7.615 1.00 0.00 C ATOM 1286 O GLY B 59 -6.325 17.444 8.144 1.00 0.00 O ATOM 0 H GLY B 59 -7.027 15.395 5.224 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -8.353 17.037 6.616 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -8.616 15.699 7.716 1.00 0.00 H new ATOM 1290 N LYS B 60 -5.740 15.351 7.563 1.00 0.00 N ATOM 1291 CA LYS B 60 -4.392 15.445 8.085 1.00 0.00 C ATOM 1292 C LYS B 60 -3.498 16.083 7.039 1.00 0.00 C ATOM 1293 O LYS B 60 -3.918 16.309 5.906 1.00 0.00 O ATOM 1294 CB LYS B 60 -3.825 14.054 8.389 1.00 0.00 C ATOM 1295 CG LYS B 60 -4.064 13.531 9.791 1.00 0.00 C ATOM 1296 CD LYS B 60 -2.983 12.520 10.151 1.00 0.00 C ATOM 1297 CE LYS B 60 -3.310 11.738 11.410 1.00 0.00 C ATOM 1298 NZ LYS B 60 -3.549 12.628 12.577 1.00 0.00 N ATOM 0 H LYS B 60 -5.969 14.443 7.159 1.00 0.00 H new ATOM 0 HA LYS B 60 -4.423 16.038 8.999 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -4.254 13.346 7.680 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -2.750 14.074 8.208 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -4.057 14.356 10.504 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -5.047 13.065 9.853 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -2.849 11.826 9.321 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -2.035 13.040 10.287 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -4.194 11.125 11.236 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -2.489 11.057 11.636 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -3.634 12.054 13.440 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -2.753 13.289 12.678 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -4.428 13.165 12.430 1.00 0.00 H new ATOM 1312 N ALA B 61 -2.261 16.352 7.417 1.00 0.00 N ATOM 1313 CA ALA B 61 -1.291 16.900 6.486 1.00 0.00 C ATOM 1314 C ALA B 61 -0.609 15.736 5.782 1.00 0.00 C ATOM 1315 O ALA B 61 0.382 15.900 5.074 1.00 0.00 O ATOM 1316 CB ALA B 61 -0.274 17.768 7.213 1.00 0.00 C ATOM 0 H ALA B 61 -1.905 16.200 8.361 1.00 0.00 H new ATOM 0 HA ALA B 61 -1.790 17.537 5.755 1.00 0.00 H new ATOM 0 HB1 ALA B 61 0.442 18.168 6.495 1.00 0.00 H new ATOM 0 HB2 ALA B 61 -0.787 18.591 7.710 1.00 0.00 H new ATOM 0 HB3 ALA B 61 0.252 17.168 7.955 1.00 0.00 H new ATOM 1322 N LYS B 62 -1.172 14.553 6.009 1.00 0.00 N ATOM 1323 CA LYS B 62 -0.674 13.321 5.446 1.00 0.00 C ATOM 1324 C LYS B 62 -1.818 12.300 5.343 1.00 0.00 C ATOM 1325 O LYS B 62 -2.539 12.058 6.314 1.00 0.00 O ATOM 1326 CB LYS B 62 0.475 12.787 6.314 1.00 0.00 C ATOM 1327 CG LYS B 62 0.221 12.873 7.814 1.00 0.00 C ATOM 1328 CD LYS B 62 1.433 12.420 8.616 1.00 0.00 C ATOM 1329 CE LYS B 62 1.024 11.658 9.871 1.00 0.00 C ATOM 1330 NZ LYS B 62 1.920 11.941 11.032 1.00 0.00 N ATOM 0 H LYS B 62 -1.996 14.431 6.597 1.00 0.00 H new ATOM 0 HA LYS B 62 -0.288 13.500 4.442 1.00 0.00 H new ATOM 0 HB2 LYS B 62 0.662 11.747 6.048 1.00 0.00 H new ATOM 0 HB3 LYS B 62 1.382 13.344 6.078 1.00 0.00 H new ATOM 0 HG2 LYS B 62 -0.030 13.899 8.082 1.00 0.00 H new ATOM 0 HG3 LYS B 62 -0.639 12.256 8.074 1.00 0.00 H new ATOM 0 HD2 LYS B 62 2.065 11.785 7.994 1.00 0.00 H new ATOM 0 HD3 LYS B 62 2.030 13.288 8.895 1.00 0.00 H new ATOM 0 HE2 LYS B 62 -0.000 11.922 10.134 1.00 0.00 H new ATOM 0 HE3 LYS B 62 1.034 10.588 9.662 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 1.598 11.399 11.859 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 2.894 11.665 10.794 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 1.892 12.957 11.252 1.00 0.00 H new ATOM 1344 N ILE B 63 -1.990 11.739 4.154 1.00 0.00 N ATOM 1345 CA ILE B 63 -3.036 10.743 3.883 1.00 0.00 C ATOM 1346 C ILE B 63 -2.406 9.355 3.932 1.00 0.00 C ATOM 1347 O ILE B 63 -1.311 9.178 3.402 1.00 0.00 O ATOM 1348 CB ILE B 63 -3.665 10.993 2.490 1.00 0.00 C ATOM 1349 CG1 ILE B 63 -4.329 12.371 2.450 1.00 0.00 C ATOM 1350 CG2 ILE B 63 -4.670 9.909 2.131 1.00 0.00 C ATOM 1351 CD1 ILE B 63 -3.857 13.238 1.301 1.00 0.00 C ATOM 0 H ILE B 63 -1.410 11.957 3.344 1.00 0.00 H new ATOM 0 HA ILE B 63 -3.824 10.821 4.632 1.00 0.00 H new ATOM 0 HB ILE B 63 -2.865 10.962 1.750 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -5.409 12.243 2.378 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -4.132 12.888 3.389 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -5.092 10.115 1.147 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -4.170 8.940 2.115 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -5.469 9.893 2.873 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -4.370 14.199 1.336 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -2.782 13.397 1.383 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -4.079 12.742 0.356 1.00 0.00 H new ATOM 1363 N GLN B 64 -3.063 8.349 4.527 1.00 0.00 N ATOM 1364 CA GLN B 64 -2.394 7.046 4.620 1.00 0.00 C ATOM 1365 C GLN B 64 -3.283 5.835 4.343 1.00 0.00 C ATOM 1366 O GLN B 64 -4.507 5.901 4.354 1.00 0.00 O ATOM 1367 CB GLN B 64 -1.748 6.847 6.001 1.00 0.00 C ATOM 1368 CG GLN B 64 -0.619 7.805 6.339 1.00 0.00 C ATOM 1369 CD GLN B 64 -1.079 9.061 7.047 1.00 0.00 C ATOM 1370 OE1 GLN B 64 -0.424 10.082 6.971 1.00 0.00 O ATOM 1371 NE2 GLN B 64 -2.196 8.995 7.757 1.00 0.00 N ATOM 0 H GLN B 64 -3.999 8.403 4.928 1.00 0.00 H new ATOM 0 HA GLN B 64 -1.646 7.088 3.828 1.00 0.00 H new ATOM 0 HB2 GLN B 64 -2.522 6.943 6.762 1.00 0.00 H new ATOM 0 HB3 GLN B 64 -1.366 5.828 6.061 1.00 0.00 H new ATOM 0 HG2 GLN B 64 0.107 7.290 6.967 1.00 0.00 H new ATOM 0 HG3 GLN B 64 -0.104 8.084 5.420 1.00 0.00 H new ATOM 0 HE21 GLN B 64 -2.722 8.122 7.800 1.00 0.00 H new ATOM 0 HE22 GLN B 64 -2.530 9.817 8.261 1.00 0.00 H new ATOM 1380 N LEU B 65 -2.594 4.728 4.092 1.00 0.00 N ATOM 1381 CA LEU B 65 -3.178 3.416 3.850 1.00 0.00 C ATOM 1382 C LEU B 65 -2.251 2.396 4.510 1.00 0.00 C ATOM 1383 O LEU B 65 -1.089 2.324 4.143 1.00 0.00 O ATOM 1384 CB LEU B 65 -3.235 3.136 2.360 1.00 0.00 C ATOM 1385 CG LEU B 65 -4.245 2.081 1.935 1.00 0.00 C ATOM 1386 CD1 LEU B 65 -5.572 2.715 1.597 1.00 0.00 C ATOM 1387 CD2 LEU B 65 -3.694 1.282 0.774 1.00 0.00 C ATOM 0 H LEU B 65 -1.575 4.720 4.050 1.00 0.00 H new ATOM 0 HA LEU B 65 -4.190 3.365 4.251 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -3.466 4.066 1.841 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -2.245 2.823 2.028 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.419 1.397 2.766 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -6.279 1.942 1.296 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -5.958 3.239 2.471 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -5.439 3.423 0.779 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -4.421 0.528 0.474 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -3.495 1.949 -0.065 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -2.768 0.793 1.076 1.00 0.00 H new ATOM 1399 N GLN B 66 -2.720 1.607 5.465 1.00 0.00 N ATOM 1400 CA GLN B 66 -1.809 0.682 6.139 1.00 0.00 C ATOM 1401 C GLN B 66 -2.282 -0.757 6.112 1.00 0.00 C ATOM 1402 O GLN B 66 -3.481 -1.042 6.091 1.00 0.00 O ATOM 1403 CB GLN B 66 -1.556 1.111 7.589 1.00 0.00 C ATOM 1404 CG GLN B 66 -2.581 0.601 8.581 1.00 0.00 C ATOM 1405 CD GLN B 66 -2.021 0.465 9.982 1.00 0.00 C ATOM 1406 OE1 GLN B 66 -1.433 -0.555 10.322 1.00 0.00 O ATOM 1407 NE2 GLN B 66 -2.228 1.479 10.809 1.00 0.00 N ATOM 0 H GLN B 66 -3.688 1.583 5.785 1.00 0.00 H new ATOM 0 HA GLN B 66 -0.878 0.728 5.574 1.00 0.00 H new ATOM 0 HB2 GLN B 66 -0.569 0.760 7.892 1.00 0.00 H new ATOM 0 HB3 GLN B 66 -1.535 2.200 7.634 1.00 0.00 H new ATOM 0 HG2 GLN B 66 -3.433 1.281 8.599 1.00 0.00 H new ATOM 0 HG3 GLN B 66 -2.953 -0.368 8.247 1.00 0.00 H new ATOM 0 HE21 GLN B 66 -2.723 2.310 10.484 1.00 0.00 H new ATOM 0 HE22 GLN B 66 -1.893 1.429 11.771 1.00 0.00 H new ATOM 1416 N LEU B 67 -1.310 -1.651 6.126 1.00 0.00 N ATOM 1417 CA LEU B 67 -1.566 -3.073 6.118 1.00 0.00 C ATOM 1418 C LEU B 67 -1.061 -3.704 7.404 1.00 0.00 C ATOM 1419 O LEU B 67 0.119 -3.609 7.738 1.00 0.00 O ATOM 1420 CB LEU B 67 -0.883 -3.725 4.918 1.00 0.00 C ATOM 1421 CG LEU B 67 -1.135 -3.024 3.589 1.00 0.00 C ATOM 1422 CD1 LEU B 67 -0.162 -3.514 2.531 1.00 0.00 C ATOM 1423 CD2 LEU B 67 -2.572 -3.239 3.139 1.00 0.00 C ATOM 0 H LEU B 67 -0.320 -1.407 6.143 1.00 0.00 H new ATOM 0 HA LEU B 67 -2.642 -3.232 6.043 1.00 0.00 H new ATOM 0 HB2 LEU B 67 0.191 -3.756 5.100 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -1.223 -4.758 4.840 1.00 0.00 H new ATOM 0 HG LEU B 67 -0.975 -1.955 3.728 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -0.359 -3.001 1.590 1.00 0.00 H new ATOM 0 HD12 LEU B 67 0.859 -3.305 2.851 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -0.286 -4.588 2.392 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -2.735 -2.732 2.188 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -2.760 -4.306 3.018 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -3.252 -2.834 3.888 1.00 0.00 H new ATOM 1435 N VAL B 68 -1.970 -4.317 8.130 1.00 0.00 N ATOM 1436 CA VAL B 68 -1.641 -4.996 9.371 1.00 0.00 C ATOM 1437 C VAL B 68 -1.349 -6.444 9.047 1.00 0.00 C ATOM 1438 O VAL B 68 -2.238 -7.169 8.622 1.00 0.00 O ATOM 1439 CB VAL B 68 -2.797 -4.926 10.391 1.00 0.00 C ATOM 1440 CG1 VAL B 68 -2.364 -5.484 11.740 1.00 0.00 C ATOM 1441 CG2 VAL B 68 -3.309 -3.500 10.534 1.00 0.00 C ATOM 0 H VAL B 68 -2.958 -4.361 7.880 1.00 0.00 H new ATOM 0 HA VAL B 68 -0.778 -4.506 9.821 1.00 0.00 H new ATOM 0 HB VAL B 68 -3.615 -5.542 10.017 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -3.195 -5.424 12.442 1.00 0.00 H new ATOM 0 HG12 VAL B 68 -2.062 -6.525 11.623 1.00 0.00 H new ATOM 0 HG13 VAL B 68 -1.524 -4.903 12.121 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -4.123 -3.477 11.258 1.00 0.00 H new ATOM 0 HG22 VAL B 68 -2.500 -2.856 10.877 1.00 0.00 H new ATOM 0 HG23 VAL B 68 -3.671 -3.145 9.569 1.00 0.00 H new ATOM 1451 N LEU B 69 -0.115 -6.866 9.222 1.00 0.00 N ATOM 1452 CA LEU B 69 0.257 -8.231 8.899 1.00 0.00 C ATOM 1453 C LEU B 69 -0.057 -9.173 10.054 1.00 0.00 C ATOM 1454 O LEU B 69 -0.123 -8.748 11.207 1.00 0.00 O ATOM 1455 CB LEU B 69 1.736 -8.314 8.535 1.00 0.00 C ATOM 1456 CG LEU B 69 2.306 -7.080 7.832 1.00 0.00 C ATOM 1457 CD1 LEU B 69 3.794 -7.253 7.574 1.00 0.00 C ATOM 1458 CD2 LEU B 69 1.571 -6.802 6.527 1.00 0.00 C ATOM 0 H LEU B 69 0.645 -6.290 9.584 1.00 0.00 H new ATOM 0 HA LEU B 69 -0.332 -8.542 8.036 1.00 0.00 H new ATOM 0 HB2 LEU B 69 2.308 -8.490 9.446 1.00 0.00 H new ATOM 0 HB3 LEU B 69 1.887 -9.181 7.891 1.00 0.00 H new ATOM 0 HG LEU B 69 2.162 -6.223 8.490 1.00 0.00 H new ATOM 0 HD11 LEU B 69 4.182 -6.366 7.074 1.00 0.00 H new ATOM 0 HD12 LEU B 69 4.314 -7.392 8.522 1.00 0.00 H new ATOM 0 HD13 LEU B 69 3.954 -8.126 6.941 1.00 0.00 H new ATOM 0 HD21 LEU B 69 1.998 -5.920 6.050 1.00 0.00 H new ATOM 0 HD22 LEU B 69 1.673 -7.659 5.862 1.00 0.00 H new ATOM 0 HD23 LEU B 69 0.515 -6.628 6.734 1.00 0.00 H new ATOM 1470 N HIS B 70 -0.254 -10.454 9.737 1.00 0.00 N ATOM 1471 CA HIS B 70 -0.565 -11.465 10.764 1.00 0.00 C ATOM 1472 C HIS B 70 0.548 -11.558 11.805 1.00 0.00 C ATOM 1473 O HIS B 70 0.321 -12.004 12.927 1.00 0.00 O ATOM 1474 CB HIS B 70 -0.775 -12.861 10.156 1.00 0.00 C ATOM 1475 CG HIS B 70 -1.359 -12.871 8.781 1.00 0.00 C ATOM 1476 ND1 HIS B 70 -2.700 -13.003 8.504 1.00 0.00 N ATOM 1477 CD2 HIS B 70 -0.743 -12.768 7.586 1.00 0.00 C ATOM 1478 CE1 HIS B 70 -2.851 -12.970 7.177 1.00 0.00 C ATOM 1479 NE2 HIS B 70 -1.693 -12.831 6.577 1.00 0.00 N ATOM 0 H HIS B 70 -0.205 -10.820 8.786 1.00 0.00 H new ATOM 0 HA HIS B 70 -1.491 -11.138 11.237 1.00 0.00 H new ATOM 0 HB2 HIS B 70 0.185 -13.377 10.130 1.00 0.00 H new ATOM 0 HB3 HIS B 70 -1.427 -13.433 10.815 1.00 0.00 H new ATOM 0 HD2 HIS B 70 0.321 -12.655 7.438 1.00 0.00 H new ATOM 0 HE1 HIS B 70 -3.800 -13.047 6.667 1.00 0.00 H new ATOM 0 HE2 HIS B 70 -1.525 -12.780 5.572 1.00 0.00 H new ATOM 1487 N ALA B 71 1.749 -11.134 11.425 1.00 0.00 N ATOM 1488 CA ALA B 71 2.900 -11.179 12.320 1.00 0.00 C ATOM 1489 C ALA B 71 2.833 -10.085 13.385 1.00 0.00 C ATOM 1490 O ALA B 71 3.647 -10.058 14.305 1.00 0.00 O ATOM 1491 CB ALA B 71 4.189 -11.059 11.521 1.00 0.00 C ATOM 0 H ALA B 71 1.951 -10.754 10.500 1.00 0.00 H new ATOM 0 HA ALA B 71 2.883 -12.140 12.834 1.00 0.00 H new ATOM 0 HB1 ALA B 71 5.042 -11.094 12.199 1.00 0.00 H new ATOM 0 HB2 ALA B 71 4.255 -11.884 10.812 1.00 0.00 H new ATOM 0 HB3 ALA B 71 4.195 -10.113 10.979 1.00 0.00 H new ATOM 1497 N GLY B 72 1.869 -9.182 13.251 1.00 0.00 N ATOM 1498 CA GLY B 72 1.726 -8.107 14.215 1.00 0.00 C ATOM 1499 C GLY B 72 2.340 -6.813 13.728 1.00 0.00 C ATOM 1500 O GLY B 72 2.160 -5.763 14.341 1.00 0.00 O ATOM 0 H GLY B 72 1.185 -9.175 12.494 1.00 0.00 H new ATOM 0 HA2 GLY B 72 0.668 -7.948 14.424 1.00 0.00 H new ATOM 0 HA3 GLY B 72 2.197 -8.399 15.154 1.00 0.00 H new ATOM 1504 N ASP B 73 3.069 -6.894 12.623 1.00 0.00 N ATOM 1505 CA ASP B 73 3.713 -5.722 12.042 1.00 0.00 C ATOM 1506 C ASP B 73 2.703 -4.926 11.223 1.00 0.00 C ATOM 1507 O ASP B 73 1.727 -5.487 10.714 1.00 0.00 O ATOM 1508 CB ASP B 73 4.898 -6.142 11.168 1.00 0.00 C ATOM 1509 CG ASP B 73 5.572 -4.958 10.502 1.00 0.00 C ATOM 1510 OD1 ASP B 73 5.893 -3.982 11.212 1.00 0.00 O ATOM 1511 OD2 ASP B 73 5.773 -5.005 9.272 1.00 0.00 O ATOM 0 H ASP B 73 3.230 -7.761 12.110 1.00 0.00 H new ATOM 0 HA ASP B 73 4.088 -5.091 12.848 1.00 0.00 H new ATOM 0 HB2 ASP B 73 5.626 -6.675 11.779 1.00 0.00 H new ATOM 0 HB3 ASP B 73 4.554 -6.838 10.403 1.00 0.00 H new ATOM 1516 N THR B 74 2.931 -3.629 11.095 1.00 0.00 N ATOM 1517 CA THR B 74 2.022 -2.770 10.354 1.00 0.00 C ATOM 1518 C THR B 74 2.783 -1.852 9.404 1.00 0.00 C ATOM 1519 O THR B 74 3.754 -1.201 9.796 1.00 0.00 O ATOM 1520 CB THR B 74 1.183 -1.904 11.315 1.00 0.00 C ATOM 1521 OG1 THR B 74 2.045 -1.219 12.234 1.00 0.00 O ATOM 1522 CG2 THR B 74 0.185 -2.748 12.093 1.00 0.00 C ATOM 0 H THR B 74 3.737 -3.148 11.494 1.00 0.00 H new ATOM 0 HA THR B 74 1.364 -3.419 9.776 1.00 0.00 H new ATOM 0 HB THR B 74 0.629 -1.181 10.716 1.00 0.00 H new ATOM 0 HG1 THR B 74 2.868 -0.951 11.773 1.00 0.00 H new ATOM 0 HG21 THR B 74 -0.390 -2.107 12.761 1.00 0.00 H new ATOM 0 HG22 THR B 74 -0.490 -3.246 11.397 1.00 0.00 H new ATOM 0 HG23 THR B 74 0.720 -3.496 12.679 1.00 0.00 H new ATOM 1530 N THR B 75 2.328 -1.788 8.165 1.00 0.00 N ATOM 1531 CA THR B 75 2.956 -0.943 7.166 1.00 0.00 C ATOM 1532 C THR B 75 1.999 0.164 6.723 1.00 0.00 C ATOM 1533 O THR B 75 1.106 -0.075 5.910 1.00 0.00 O ATOM 1534 CB THR B 75 3.372 -1.777 5.940 1.00 0.00 C ATOM 1535 OG1 THR B 75 3.425 -3.167 6.291 1.00 0.00 O ATOM 1536 CG2 THR B 75 4.727 -1.327 5.412 1.00 0.00 C ATOM 0 H THR B 75 1.522 -2.314 7.826 1.00 0.00 H new ATOM 0 HA THR B 75 3.843 -0.494 7.613 1.00 0.00 H new ATOM 0 HB THR B 75 2.630 -1.628 5.156 1.00 0.00 H new ATOM 0 HG1 THR B 75 3.688 -3.693 5.507 1.00 0.00 H new ATOM 0 HG21 THR B 75 4.999 -1.931 4.546 1.00 0.00 H new ATOM 0 HG22 THR B 75 4.674 -0.278 5.120 1.00 0.00 H new ATOM 0 HG23 THR B 75 5.480 -1.449 6.191 1.00 0.00 H new ATOM 1544 N ASN B 76 2.168 1.369 7.268 1.00 0.00 N ATOM 1545 CA ASN B 76 1.305 2.486 6.904 1.00 0.00 C ATOM 1546 C ASN B 76 1.949 3.245 5.747 1.00 0.00 C ATOM 1547 O ASN B 76 3.123 3.606 5.804 1.00 0.00 O ATOM 1548 CB ASN B 76 1.010 3.442 8.098 1.00 0.00 C ATOM 1549 CG ASN B 76 1.032 2.778 9.477 1.00 0.00 C ATOM 1550 OD1 ASN B 76 1.829 1.884 9.755 1.00 0.00 O ATOM 1551 ND2 ASN B 76 0.164 3.237 10.368 1.00 0.00 N ATOM 0 H ASN B 76 2.887 1.593 7.956 1.00 0.00 H new ATOM 0 HA ASN B 76 0.339 2.082 6.602 1.00 0.00 H new ATOM 0 HB2 ASN B 76 1.743 4.249 8.088 1.00 0.00 H new ATOM 0 HB3 ASN B 76 0.032 3.898 7.946 1.00 0.00 H new ATOM 0 HD21 ASN B 76 0.147 2.848 11.311 1.00 0.00 H new ATOM 0 HD22 ASN B 76 -0.486 3.980 10.111 1.00 0.00 H new ATOM 1558 N PHE B 77 1.179 3.438 4.687 1.00 0.00 N ATOM 1559 CA PHE B 77 1.650 4.119 3.485 1.00 0.00 C ATOM 1560 C PHE B 77 1.063 5.519 3.379 1.00 0.00 C ATOM 1561 O PHE B 77 -0.151 5.680 3.277 1.00 0.00 O ATOM 1562 CB PHE B 77 1.277 3.313 2.240 1.00 0.00 C ATOM 1563 CG PHE B 77 2.248 2.214 1.922 1.00 0.00 C ATOM 1564 CD1 PHE B 77 3.495 2.511 1.403 1.00 0.00 C ATOM 1565 CD2 PHE B 77 1.915 0.887 2.139 1.00 0.00 C ATOM 1566 CE1 PHE B 77 4.394 1.507 1.104 1.00 0.00 C ATOM 1567 CE2 PHE B 77 2.812 -0.123 1.841 1.00 0.00 C ATOM 1568 CZ PHE B 77 4.052 0.189 1.323 1.00 0.00 C ATOM 0 H PHE B 77 0.209 3.128 4.633 1.00 0.00 H new ATOM 0 HA PHE B 77 2.735 4.203 3.554 1.00 0.00 H new ATOM 0 HB2 PHE B 77 0.286 2.881 2.380 1.00 0.00 H new ATOM 0 HB3 PHE B 77 1.213 3.988 1.386 1.00 0.00 H new ATOM 0 HD1 PHE B 77 3.769 3.541 1.229 1.00 0.00 H new ATOM 0 HD2 PHE B 77 0.945 0.639 2.545 1.00 0.00 H new ATOM 0 HE1 PHE B 77 5.364 1.753 0.699 1.00 0.00 H new ATOM 0 HE2 PHE B 77 2.542 -1.154 2.014 1.00 0.00 H new ATOM 0 HZ PHE B 77 4.754 -0.598 1.089 1.00 0.00 H new ATOM 1578 N HIS B 78 1.926 6.519 3.400 1.00 0.00 N ATOM 1579 CA HIS B 78 1.503 7.906 3.309 1.00 0.00 C ATOM 1580 C HIS B 78 1.558 8.403 1.861 1.00 0.00 C ATOM 1581 O HIS B 78 2.624 8.482 1.255 1.00 0.00 O ATOM 1582 CB HIS B 78 2.396 8.757 4.228 1.00 0.00 C ATOM 1583 CG HIS B 78 2.363 10.243 3.991 1.00 0.00 C ATOM 1584 ND1 HIS B 78 3.414 11.077 4.300 1.00 0.00 N ATOM 1585 CD2 HIS B 78 1.398 11.040 3.464 1.00 0.00 C ATOM 1586 CE1 HIS B 78 3.066 12.323 3.958 1.00 0.00 C ATOM 1587 NE2 HIS B 78 1.853 12.355 3.444 1.00 0.00 N ATOM 0 H HIS B 78 2.935 6.394 3.480 1.00 0.00 H new ATOM 0 HA HIS B 78 0.467 7.994 3.635 1.00 0.00 H new ATOM 0 HB2 HIS B 78 2.105 8.568 5.261 1.00 0.00 H new ATOM 0 HB3 HIS B 78 3.425 8.415 4.119 1.00 0.00 H new ATOM 0 HD1 HIS B 78 4.301 10.795 4.716 1.00 0.00 H new ATOM 0 HD2 HIS B 78 0.432 10.707 3.116 1.00 0.00 H new ATOM 0 HE1 HIS B 78 3.697 13.190 4.087 1.00 0.00 H new ATOM 1595 N PHE B 79 0.397 8.728 1.311 1.00 0.00 N ATOM 1596 CA PHE B 79 0.319 9.247 -0.047 1.00 0.00 C ATOM 1597 C PHE B 79 0.568 10.747 0.001 1.00 0.00 C ATOM 1598 O PHE B 79 -0.342 11.525 0.282 1.00 0.00 O ATOM 1599 CB PHE B 79 -1.053 8.973 -0.684 1.00 0.00 C ATOM 1600 CG PHE B 79 -1.364 7.524 -0.932 1.00 0.00 C ATOM 1601 CD1 PHE B 79 -1.545 6.640 0.119 1.00 0.00 C ATOM 1602 CD2 PHE B 79 -1.503 7.053 -2.226 1.00 0.00 C ATOM 1603 CE1 PHE B 79 -1.853 5.314 -0.118 1.00 0.00 C ATOM 1604 CE2 PHE B 79 -1.817 5.731 -2.468 1.00 0.00 C ATOM 1605 CZ PHE B 79 -1.991 4.861 -1.415 1.00 0.00 C ATOM 0 H PHE B 79 -0.503 8.642 1.783 1.00 0.00 H new ATOM 0 HA PHE B 79 1.069 8.745 -0.658 1.00 0.00 H new ATOM 0 HB2 PHE B 79 -1.826 9.389 -0.037 1.00 0.00 H new ATOM 0 HB3 PHE B 79 -1.109 9.508 -1.632 1.00 0.00 H new ATOM 0 HD1 PHE B 79 -1.444 6.991 1.135 1.00 0.00 H new ATOM 0 HD2 PHE B 79 -1.364 7.729 -3.057 1.00 0.00 H new ATOM 0 HE1 PHE B 79 -1.986 4.633 0.710 1.00 0.00 H new ATOM 0 HE2 PHE B 79 -1.926 5.379 -3.483 1.00 0.00 H new ATOM 0 HZ PHE B 79 -2.235 3.826 -1.603 1.00 0.00 H new ATOM 1615 N SER B 80 1.800 11.153 -0.255 1.00 0.00 N ATOM 1616 CA SER B 80 2.153 12.562 -0.200 1.00 0.00 C ATOM 1617 C SER B 80 2.124 13.228 -1.571 1.00 0.00 C ATOM 1618 O SER B 80 2.778 14.249 -1.786 1.00 0.00 O ATOM 1619 CB SER B 80 3.524 12.726 0.450 1.00 0.00 C ATOM 1620 OG SER B 80 4.341 11.593 0.210 1.00 0.00 O ATOM 0 H SER B 80 2.570 10.531 -0.502 1.00 0.00 H new ATOM 0 HA SER B 80 1.399 13.065 0.405 1.00 0.00 H new ATOM 0 HB2 SER B 80 4.011 13.619 0.058 1.00 0.00 H new ATOM 0 HB3 SER B 80 3.406 12.872 1.524 1.00 0.00 H new ATOM 0 HG SER B 80 4.307 11.361 -0.741 1.00 0.00 H new ATOM 1626 N ASN B 81 1.378 12.655 -2.502 1.00 0.00 N ATOM 1627 CA ASN B 81 1.263 13.248 -3.824 1.00 0.00 C ATOM 1628 C ASN B 81 0.035 14.137 -3.864 1.00 0.00 C ATOM 1629 O ASN B 81 -1.083 13.660 -4.022 1.00 0.00 O ATOM 1630 CB ASN B 81 1.189 12.195 -4.932 1.00 0.00 C ATOM 1631 CG ASN B 81 1.401 12.824 -6.296 1.00 0.00 C ATOM 1632 OD1 ASN B 81 2.005 13.883 -6.408 1.00 0.00 O ATOM 1633 ND2 ASN B 81 0.909 12.192 -7.339 1.00 0.00 N ATOM 0 H ASN B 81 0.850 11.792 -2.370 1.00 0.00 H new ATOM 0 HA ASN B 81 2.162 13.836 -4.008 1.00 0.00 H new ATOM 0 HB2 ASN B 81 1.944 11.428 -4.760 1.00 0.00 H new ATOM 0 HB3 ASN B 81 0.219 11.699 -4.903 1.00 0.00 H new ATOM 0 HD21 ASN B 81 1.026 12.583 -8.274 1.00 0.00 H new ATOM 0 HD22 ASN B 81 0.410 11.311 -7.213 1.00 0.00 H new ATOM 1640 N GLU B 82 0.260 15.430 -3.727 1.00 0.00 N ATOM 1641 CA GLU B 82 -0.807 16.430 -3.703 1.00 0.00 C ATOM 1642 C GLU B 82 -1.796 16.285 -4.867 1.00 0.00 C ATOM 1643 O GLU B 82 -2.975 16.616 -4.734 1.00 0.00 O ATOM 1644 CB GLU B 82 -0.190 17.839 -3.706 1.00 0.00 C ATOM 1645 CG GLU B 82 0.477 18.248 -5.022 1.00 0.00 C ATOM 1646 CD GLU B 82 1.583 17.304 -5.466 1.00 0.00 C ATOM 1647 OE1 GLU B 82 2.501 17.025 -4.661 1.00 0.00 O ATOM 1648 OE2 GLU B 82 1.531 16.818 -6.617 1.00 0.00 O ATOM 0 H GLU B 82 1.195 15.826 -3.628 1.00 0.00 H new ATOM 0 HA GLU B 82 -1.379 16.268 -2.789 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -0.971 18.562 -3.471 1.00 0.00 H new ATOM 0 HB3 GLU B 82 0.549 17.898 -2.907 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -0.281 18.298 -5.803 1.00 0.00 H new ATOM 0 HG3 GLU B 82 0.889 19.251 -4.914 1.00 0.00 H new ATOM 1655 N SER B 83 -1.325 15.775 -5.992 1.00 0.00 N ATOM 1656 CA SER B 83 -2.161 15.633 -7.168 1.00 0.00 C ATOM 1657 C SER B 83 -2.934 14.306 -7.240 1.00 0.00 C ATOM 1658 O SER B 83 -4.032 14.264 -7.809 1.00 0.00 O ATOM 1659 CB SER B 83 -1.291 15.798 -8.414 1.00 0.00 C ATOM 1660 OG SER B 83 0.004 15.257 -8.200 1.00 0.00 O ATOM 0 H SER B 83 -0.365 15.452 -6.114 1.00 0.00 H new ATOM 0 HA SER B 83 -2.922 16.411 -7.108 1.00 0.00 H new ATOM 0 HB2 SER B 83 -1.763 15.300 -9.261 1.00 0.00 H new ATOM 0 HB3 SER B 83 -1.211 16.855 -8.670 1.00 0.00 H new ATOM 0 HG SER B 83 0.583 15.941 -7.803 1.00 0.00 H new ATOM 1666 N THR B 84 -2.397 13.222 -6.682 1.00 0.00 N ATOM 1667 CA THR B 84 -3.072 11.925 -6.802 1.00 0.00 C ATOM 1668 C THR B 84 -3.216 11.153 -5.487 1.00 0.00 C ATOM 1669 O THR B 84 -3.712 10.035 -5.502 1.00 0.00 O ATOM 1670 CB THR B 84 -2.315 11.019 -7.794 1.00 0.00 C ATOM 1671 OG1 THR B 84 -1.102 10.557 -7.193 1.00 0.00 O ATOM 1672 CG2 THR B 84 -1.980 11.761 -9.076 1.00 0.00 C ATOM 0 H THR B 84 -1.523 13.210 -6.157 1.00 0.00 H new ATOM 0 HA THR B 84 -4.076 12.168 -7.150 1.00 0.00 H new ATOM 0 HB THR B 84 -2.961 10.176 -8.039 1.00 0.00 H new ATOM 0 HG1 THR B 84 -0.824 9.719 -7.619 1.00 0.00 H new ATOM 0 HG21 THR B 84 -1.447 11.094 -9.754 1.00 0.00 H new ATOM 0 HG22 THR B 84 -2.900 12.101 -9.551 1.00 0.00 H new ATOM 0 HG23 THR B 84 -1.352 12.621 -8.845 1.00 0.00 H new ATOM 1680 N ALA B 85 -2.830 11.748 -4.369 1.00 0.00 N ATOM 1681 CA ALA B 85 -2.872 11.065 -3.070 1.00 0.00 C ATOM 1682 C ALA B 85 -4.213 10.403 -2.791 1.00 0.00 C ATOM 1683 O ALA B 85 -4.307 9.183 -2.717 1.00 0.00 O ATOM 1684 CB ALA B 85 -2.535 12.035 -1.952 1.00 0.00 C ATOM 0 H ALA B 85 -2.482 12.706 -4.328 1.00 0.00 H new ATOM 0 HA ALA B 85 -2.125 10.273 -3.112 1.00 0.00 H new ATOM 0 HB1 ALA B 85 -2.570 11.514 -0.995 1.00 0.00 H new ATOM 0 HB2 ALA B 85 -1.534 12.438 -2.109 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -3.258 12.851 -1.948 1.00 0.00 H new ATOM 1690 N VAL B 86 -5.236 11.221 -2.640 1.00 0.00 N ATOM 1691 CA VAL B 86 -6.584 10.745 -2.353 1.00 0.00 C ATOM 1692 C VAL B 86 -7.062 9.721 -3.386 1.00 0.00 C ATOM 1693 O VAL B 86 -7.522 8.634 -3.037 1.00 0.00 O ATOM 1694 CB VAL B 86 -7.559 11.935 -2.329 1.00 0.00 C ATOM 1695 CG1 VAL B 86 -8.991 11.473 -2.098 1.00 0.00 C ATOM 1696 CG2 VAL B 86 -7.142 12.944 -1.270 1.00 0.00 C ATOM 0 H VAL B 86 -5.161 12.236 -2.712 1.00 0.00 H new ATOM 0 HA VAL B 86 -6.560 10.255 -1.380 1.00 0.00 H new ATOM 0 HB VAL B 86 -7.521 12.420 -3.305 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -9.655 12.337 -2.086 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -9.289 10.797 -2.900 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -9.056 10.953 -1.142 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -7.843 13.779 -1.267 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -7.144 12.465 -0.291 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -6.140 13.312 -1.492 1.00 0.00 H new ATOM 1706 N LYS B 87 -6.909 10.067 -4.655 1.00 0.00 N ATOM 1707 CA LYS B 87 -7.353 9.212 -5.753 1.00 0.00 C ATOM 1708 C LYS B 87 -6.626 7.868 -5.781 1.00 0.00 C ATOM 1709 O LYS B 87 -7.249 6.829 -6.004 1.00 0.00 O ATOM 1710 CB LYS B 87 -7.161 9.939 -7.086 1.00 0.00 C ATOM 1711 CG LYS B 87 -8.021 11.189 -7.224 1.00 0.00 C ATOM 1712 CD LYS B 87 -7.197 12.408 -7.615 1.00 0.00 C ATOM 1713 CE LYS B 87 -6.671 12.303 -9.039 1.00 0.00 C ATOM 1714 NZ LYS B 87 -6.020 13.566 -9.484 1.00 0.00 N ATOM 0 H LYS B 87 -6.477 10.941 -4.955 1.00 0.00 H new ATOM 0 HA LYS B 87 -8.410 9.001 -5.592 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -6.112 10.215 -7.193 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -7.395 9.255 -7.901 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -8.793 11.017 -7.974 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -8.531 11.384 -6.281 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -7.808 13.306 -7.519 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -6.360 12.517 -6.926 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -5.955 11.484 -9.102 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -7.493 12.061 -9.713 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -5.380 13.365 -10.278 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -6.748 14.243 -9.789 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -5.477 13.973 -8.696 1.00 0.00 H new ATOM 1728 N GLU B 88 -5.324 7.874 -5.537 1.00 0.00 N ATOM 1729 CA GLU B 88 -4.560 6.640 -5.569 1.00 0.00 C ATOM 1730 C GLU B 88 -4.732 5.877 -4.263 1.00 0.00 C ATOM 1731 O GLU B 88 -4.589 4.657 -4.226 1.00 0.00 O ATOM 1732 CB GLU B 88 -3.087 6.925 -5.882 1.00 0.00 C ATOM 1733 CG GLU B 88 -2.889 7.445 -7.303 1.00 0.00 C ATOM 1734 CD GLU B 88 -1.460 7.348 -7.811 1.00 0.00 C ATOM 1735 OE1 GLU B 88 -0.583 8.065 -7.293 1.00 0.00 O ATOM 1736 OE2 GLU B 88 -1.214 6.583 -8.764 1.00 0.00 O ATOM 0 H GLU B 88 -4.782 8.709 -5.317 1.00 0.00 H new ATOM 0 HA GLU B 88 -4.941 6.006 -6.370 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -2.702 7.657 -5.172 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -2.506 6.013 -5.747 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -3.540 6.887 -7.976 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -3.207 8.487 -7.344 1.00 0.00 H new ATOM 1743 N ARG B 89 -5.076 6.597 -3.198 1.00 0.00 N ATOM 1744 CA ARG B 89 -5.307 5.978 -1.898 1.00 0.00 C ATOM 1745 C ARG B 89 -6.472 5.004 -2.016 1.00 0.00 C ATOM 1746 O ARG B 89 -6.442 3.904 -1.462 1.00 0.00 O ATOM 1747 CB ARG B 89 -5.601 7.045 -0.836 1.00 0.00 C ATOM 1748 CG ARG B 89 -5.337 6.594 0.595 1.00 0.00 C ATOM 1749 CD ARG B 89 -6.621 6.504 1.413 1.00 0.00 C ATOM 1750 NE ARG B 89 -7.438 7.714 1.309 1.00 0.00 N ATOM 1751 CZ ARG B 89 -8.560 7.790 0.598 1.00 0.00 C ATOM 1752 NH1 ARG B 89 -9.017 6.723 -0.037 1.00 0.00 N ATOM 1753 NH2 ARG B 89 -9.233 8.925 0.535 1.00 0.00 N ATOM 0 H ARG B 89 -5.201 7.609 -3.211 1.00 0.00 H new ATOM 0 HA ARG B 89 -4.412 5.439 -1.588 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -4.994 7.926 -1.045 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -6.644 7.349 -0.922 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -4.846 5.621 0.583 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -4.650 7.292 1.074 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -7.203 5.646 1.076 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -6.370 6.328 2.459 1.00 0.00 H new ATOM 0 HE ARG B 89 -7.129 8.547 1.810 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -8.509 5.840 0.018 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -9.877 6.783 -0.582 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -8.893 9.748 1.033 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -10.093 8.979 -0.011 1.00 0.00 H new ATOM 1767 N ASP B 90 -7.496 5.418 -2.757 1.00 0.00 N ATOM 1768 CA ASP B 90 -8.664 4.578 -2.988 1.00 0.00 C ATOM 1769 C ASP B 90 -8.345 3.466 -3.975 1.00 0.00 C ATOM 1770 O ASP B 90 -8.747 2.326 -3.774 1.00 0.00 O ATOM 1771 CB ASP B 90 -9.852 5.398 -3.508 1.00 0.00 C ATOM 1772 CG ASP B 90 -10.741 5.907 -2.391 1.00 0.00 C ATOM 1773 OD1 ASP B 90 -11.522 5.102 -1.842 1.00 0.00 O ATOM 1774 OD2 ASP B 90 -10.648 7.099 -2.043 1.00 0.00 O ATOM 0 H ASP B 90 -7.539 6.332 -3.208 1.00 0.00 H new ATOM 0 HA ASP B 90 -8.938 4.139 -2.029 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -9.480 6.244 -4.086 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -10.443 4.784 -4.187 1.00 0.00 H new ATOM 1779 N ALA B 91 -7.574 3.793 -5.007 1.00 0.00 N ATOM 1780 CA ALA B 91 -7.223 2.823 -6.045 1.00 0.00 C ATOM 1781 C ALA B 91 -6.450 1.642 -5.467 1.00 0.00 C ATOM 1782 O ALA B 91 -6.646 0.495 -5.869 1.00 0.00 O ATOM 1783 CB ALA B 91 -6.417 3.500 -7.145 1.00 0.00 C ATOM 0 H ALA B 91 -7.179 4.722 -5.149 1.00 0.00 H new ATOM 0 HA ALA B 91 -8.149 2.436 -6.470 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -6.162 2.768 -7.912 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -7.009 4.300 -7.590 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -5.503 3.917 -6.722 1.00 0.00 H new ATOM 1789 N VAL B 92 -5.584 1.931 -4.513 1.00 0.00 N ATOM 1790 CA VAL B 92 -4.782 0.901 -3.870 1.00 0.00 C ATOM 1791 C VAL B 92 -5.662 0.084 -2.941 1.00 0.00 C ATOM 1792 O VAL B 92 -5.627 -1.143 -2.962 1.00 0.00 O ATOM 1793 CB VAL B 92 -3.593 1.492 -3.078 1.00 0.00 C ATOM 1794 CG1 VAL B 92 -2.804 0.394 -2.387 1.00 0.00 C ATOM 1795 CG2 VAL B 92 -2.681 2.291 -3.990 1.00 0.00 C ATOM 0 H VAL B 92 -5.416 2.874 -4.164 1.00 0.00 H new ATOM 0 HA VAL B 92 -4.367 0.267 -4.654 1.00 0.00 H new ATOM 0 HB VAL B 92 -3.999 2.160 -2.318 1.00 0.00 H new ATOM 0 HG11 VAL B 92 -1.973 0.835 -1.836 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -3.454 -0.141 -1.695 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -2.418 -0.301 -3.133 1.00 0.00 H new ATOM 0 HG21 VAL B 92 -1.852 2.697 -3.410 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -2.292 1.642 -4.775 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -3.243 3.109 -4.441 1.00 0.00 H new ATOM 1805 N LYS B 93 -6.463 0.784 -2.141 1.00 0.00 N ATOM 1806 CA LYS B 93 -7.387 0.142 -1.213 1.00 0.00 C ATOM 1807 C LYS B 93 -8.275 -0.831 -1.975 1.00 0.00 C ATOM 1808 O LYS B 93 -8.431 -1.989 -1.590 1.00 0.00 O ATOM 1809 CB LYS B 93 -8.244 1.206 -0.520 1.00 0.00 C ATOM 1810 CG LYS B 93 -9.431 0.646 0.245 1.00 0.00 C ATOM 1811 CD LYS B 93 -10.729 0.811 -0.536 1.00 0.00 C ATOM 1812 CE LYS B 93 -11.177 2.261 -0.570 1.00 0.00 C ATOM 1813 NZ LYS B 93 -12.109 2.531 -1.695 1.00 0.00 N ATOM 0 H LYS B 93 -6.489 1.803 -2.118 1.00 0.00 H new ATOM 0 HA LYS B 93 -6.824 -0.405 -0.457 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -7.616 1.771 0.169 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -8.608 1.909 -1.270 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -9.264 -0.410 0.455 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -9.517 1.153 1.206 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -10.591 0.448 -1.554 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -11.508 0.199 -0.082 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -11.664 2.512 0.372 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -10.304 2.908 -0.659 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -11.930 3.483 -2.073 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -11.960 1.827 -2.446 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -13.090 2.472 -1.355 1.00 0.00 H new ATOM 1827 N ASP B 94 -8.839 -0.326 -3.063 1.00 0.00 N ATOM 1828 CA ASP B 94 -9.707 -1.091 -3.941 1.00 0.00 C ATOM 1829 C ASP B 94 -9.033 -2.362 -4.427 1.00 0.00 C ATOM 1830 O ASP B 94 -9.568 -3.457 -4.266 1.00 0.00 O ATOM 1831 CB ASP B 94 -10.117 -0.219 -5.127 1.00 0.00 C ATOM 1832 CG ASP B 94 -11.412 0.530 -4.877 1.00 0.00 C ATOM 1833 OD1 ASP B 94 -11.492 1.267 -3.870 1.00 0.00 O ATOM 1834 OD2 ASP B 94 -12.352 0.375 -5.681 1.00 0.00 O ATOM 0 H ASP B 94 -8.704 0.639 -3.363 1.00 0.00 H new ATOM 0 HA ASP B 94 -10.592 -1.389 -3.378 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -9.323 0.496 -5.340 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -10.228 -0.845 -6.013 1.00 0.00 H new ATOM 1839 N LEU B 95 -7.852 -2.220 -5.007 1.00 0.00 N ATOM 1840 CA LEU B 95 -7.114 -3.370 -5.507 1.00 0.00 C ATOM 1841 C LEU B 95 -6.787 -4.334 -4.377 1.00 0.00 C ATOM 1842 O LEU B 95 -6.944 -5.545 -4.520 1.00 0.00 O ATOM 1843 CB LEU B 95 -5.832 -2.927 -6.220 1.00 0.00 C ATOM 1844 CG LEU B 95 -5.865 -3.028 -7.752 1.00 0.00 C ATOM 1845 CD1 LEU B 95 -7.039 -2.245 -8.322 1.00 0.00 C ATOM 1846 CD2 LEU B 95 -4.558 -2.526 -8.345 1.00 0.00 C ATOM 0 H LEU B 95 -7.385 -1.324 -5.143 1.00 0.00 H new ATOM 0 HA LEU B 95 -7.746 -3.887 -6.229 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -5.621 -1.894 -5.945 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -5.003 -3.531 -5.850 1.00 0.00 H new ATOM 0 HG LEU B 95 -5.991 -4.077 -8.021 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -7.041 -2.332 -9.409 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -7.971 -2.646 -7.924 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -6.947 -1.196 -8.042 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -4.598 -2.604 -9.431 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -4.406 -1.485 -8.062 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -3.732 -3.129 -7.968 1.00 0.00 H new ATOM 1858 N LEU B 96 -6.379 -3.792 -3.239 1.00 0.00 N ATOM 1859 CA LEU B 96 -6.016 -4.610 -2.093 1.00 0.00 C ATOM 1860 C LEU B 96 -7.199 -5.397 -1.546 1.00 0.00 C ATOM 1861 O LEU B 96 -7.118 -6.614 -1.402 1.00 0.00 O ATOM 1862 CB LEU B 96 -5.407 -3.752 -0.999 1.00 0.00 C ATOM 1863 CG LEU B 96 -4.053 -3.174 -1.368 1.00 0.00 C ATOM 1864 CD1 LEU B 96 -3.511 -2.313 -0.244 1.00 0.00 C ATOM 1865 CD2 LEU B 96 -3.078 -4.282 -1.718 1.00 0.00 C ATOM 0 H LEU B 96 -6.291 -2.787 -3.085 1.00 0.00 H new ATOM 0 HA LEU B 96 -5.276 -5.332 -2.438 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -6.090 -2.936 -0.765 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -5.304 -4.350 -0.094 1.00 0.00 H new ATOM 0 HG LEU B 96 -4.179 -2.541 -2.246 1.00 0.00 H new ATOM 0 HD11 LEU B 96 -2.540 -1.909 -0.531 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -4.202 -1.493 -0.049 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -3.401 -2.917 0.657 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -2.113 -3.848 -1.980 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -2.957 -4.945 -0.861 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -3.462 -4.850 -2.565 1.00 0.00 H new ATOM 1877 N GLN B 97 -8.302 -4.709 -1.269 1.00 0.00 N ATOM 1878 CA GLN B 97 -9.495 -5.359 -0.725 1.00 0.00 C ATOM 1879 C GLN B 97 -10.058 -6.383 -1.707 1.00 0.00 C ATOM 1880 O GLN B 97 -10.747 -7.321 -1.313 1.00 0.00 O ATOM 1881 CB GLN B 97 -10.569 -4.323 -0.368 1.00 0.00 C ATOM 1882 CG GLN B 97 -11.211 -3.658 -1.573 1.00 0.00 C ATOM 1883 CD GLN B 97 -12.439 -2.841 -1.213 1.00 0.00 C ATOM 1884 OE1 GLN B 97 -13.389 -2.760 -1.989 1.00 0.00 O ATOM 1885 NE2 GLN B 97 -12.432 -2.227 -0.038 1.00 0.00 N ATOM 0 H GLN B 97 -8.397 -3.703 -1.411 1.00 0.00 H new ATOM 0 HA GLN B 97 -9.200 -5.881 0.185 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -11.346 -4.809 0.223 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -10.122 -3.555 0.263 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -10.480 -3.011 -2.057 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -11.489 -4.423 -2.298 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -11.625 -2.317 0.580 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -13.233 -1.664 0.248 1.00 0.00 H new ATOM 1894 N GLN B 98 -9.765 -6.197 -2.986 1.00 0.00 N ATOM 1895 CA GLN B 98 -10.234 -7.112 -4.014 1.00 0.00 C ATOM 1896 C GLN B 98 -9.300 -8.311 -4.155 1.00 0.00 C ATOM 1897 O GLN B 98 -9.730 -9.413 -4.497 1.00 0.00 O ATOM 1898 CB GLN B 98 -10.334 -6.389 -5.353 1.00 0.00 C ATOM 1899 CG GLN B 98 -11.566 -5.510 -5.489 1.00 0.00 C ATOM 1900 CD GLN B 98 -11.671 -4.876 -6.861 1.00 0.00 C ATOM 1901 OE1 GLN B 98 -11.282 -5.473 -7.865 1.00 0.00 O ATOM 1902 NE2 GLN B 98 -12.187 -3.658 -6.912 1.00 0.00 N ATOM 0 H GLN B 98 -9.204 -5.420 -3.336 1.00 0.00 H new ATOM 0 HA GLN B 98 -11.219 -7.472 -3.716 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -9.444 -5.774 -5.490 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -10.337 -7.128 -6.154 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -12.458 -6.106 -5.297 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -11.537 -4.727 -4.731 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -12.497 -3.199 -6.055 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -12.274 -3.178 -7.808 1.00 0.00 H new ATOM 1911 N LEU B 99 -8.018 -8.086 -3.917 1.00 0.00 N ATOM 1912 CA LEU B 99 -7.013 -9.139 -4.034 1.00 0.00 C ATOM 1913 C LEU B 99 -6.870 -9.949 -2.749 1.00 0.00 C ATOM 1914 O LEU B 99 -6.595 -11.147 -2.802 1.00 0.00 O ATOM 1915 CB LEU B 99 -5.663 -8.533 -4.418 1.00 0.00 C ATOM 1916 CG LEU B 99 -5.594 -7.991 -5.845 1.00 0.00 C ATOM 1917 CD1 LEU B 99 -4.485 -6.962 -5.976 1.00 0.00 C ATOM 1918 CD2 LEU B 99 -5.387 -9.126 -6.838 1.00 0.00 C ATOM 0 H LEU B 99 -7.644 -7.179 -3.640 1.00 0.00 H new ATOM 0 HA LEU B 99 -7.349 -9.821 -4.815 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -5.432 -7.725 -3.724 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -4.890 -9.291 -4.293 1.00 0.00 H new ATOM 0 HG LEU B 99 -6.542 -7.503 -6.070 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -4.454 -6.589 -7.000 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -4.675 -6.133 -5.294 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -3.529 -7.424 -5.729 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -5.340 -8.721 -7.849 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -4.455 -9.643 -6.611 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -6.218 -9.828 -6.766 1.00 0.00 H new ATOM 1930 N LEU B 100 -7.070 -9.299 -1.609 1.00 0.00 N ATOM 1931 CA LEU B 100 -6.940 -9.951 -0.304 1.00 0.00 C ATOM 1932 C LEU B 100 -7.706 -11.277 -0.205 1.00 0.00 C ATOM 1933 O LEU B 100 -7.096 -12.294 0.091 1.00 0.00 O ATOM 1934 CB LEU B 100 -7.365 -9.006 0.825 1.00 0.00 C ATOM 1935 CG LEU B 100 -6.244 -8.135 1.390 1.00 0.00 C ATOM 1936 CD1 LEU B 100 -6.793 -7.157 2.413 1.00 0.00 C ATOM 1937 CD2 LEU B 100 -5.159 -8.998 2.018 1.00 0.00 C ATOM 0 H LEU B 100 -7.325 -8.313 -1.558 1.00 0.00 H new ATOM 0 HA LEU B 100 -5.883 -10.193 -0.194 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -8.159 -8.357 0.456 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -7.788 -9.599 1.636 1.00 0.00 H new ATOM 0 HG LEU B 100 -5.805 -7.570 0.568 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -5.980 -6.545 2.804 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -7.536 -6.514 1.940 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -7.258 -7.708 3.230 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -4.370 -8.359 2.414 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -5.587 -9.590 2.827 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -4.741 -9.664 1.263 1.00 0.00 H new ATOM 1949 N PRO B 101 -9.031 -11.314 -0.475 1.00 0.00 N ATOM 1950 CA PRO B 101 -9.821 -12.557 -0.377 1.00 0.00 C ATOM 1951 C PRO B 101 -9.315 -13.681 -1.287 1.00 0.00 C ATOM 1952 O PRO B 101 -9.721 -14.836 -1.148 1.00 0.00 O ATOM 1953 CB PRO B 101 -11.234 -12.129 -0.801 1.00 0.00 C ATOM 1954 CG PRO B 101 -11.049 -10.842 -1.529 1.00 0.00 C ATOM 1955 CD PRO B 101 -9.873 -10.176 -0.881 1.00 0.00 C ATOM 0 HA PRO B 101 -9.763 -12.973 0.629 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -11.698 -12.880 -1.440 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -11.884 -12.002 0.065 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -10.866 -11.015 -2.590 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -11.941 -10.219 -1.457 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -9.352 -9.515 -1.573 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -10.173 -9.570 -0.026 1.00 0.00 H new ATOM 1963 N LYS B 102 -8.440 -13.342 -2.226 1.00 0.00 N ATOM 1964 CA LYS B 102 -7.890 -14.327 -3.148 1.00 0.00 C ATOM 1965 C LYS B 102 -6.647 -14.998 -2.568 1.00 0.00 C ATOM 1966 O LYS B 102 -6.371 -16.162 -2.860 1.00 0.00 O ATOM 1967 CB LYS B 102 -7.547 -13.670 -4.486 1.00 0.00 C ATOM 1968 CG LYS B 102 -8.740 -13.030 -5.174 1.00 0.00 C ATOM 1969 CD LYS B 102 -8.313 -12.210 -6.378 1.00 0.00 C ATOM 1970 CE LYS B 102 -9.508 -11.572 -7.065 1.00 0.00 C ATOM 1971 NZ LYS B 102 -9.413 -10.088 -7.083 1.00 0.00 N ATOM 0 H LYS B 102 -8.096 -12.392 -2.369 1.00 0.00 H new ATOM 0 HA LYS B 102 -8.649 -15.093 -3.306 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -6.782 -12.911 -4.323 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -7.115 -14.420 -5.149 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -9.439 -13.805 -5.489 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -9.270 -12.392 -4.467 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -7.615 -11.434 -6.063 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -7.782 -12.848 -7.085 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -9.579 -11.943 -8.087 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -10.423 -11.871 -6.553 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -10.009 -9.711 -7.848 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -9.739 -9.708 -6.171 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -8.425 -9.805 -7.243 1.00 0.00 H new ATOM 1985 N PHE B 103 -5.914 -14.266 -1.740 1.00 0.00 N ATOM 1986 CA PHE B 103 -4.685 -14.786 -1.143 1.00 0.00 C ATOM 1987 C PHE B 103 -4.848 -15.065 0.351 1.00 0.00 C ATOM 1988 O PHE B 103 -4.262 -16.009 0.883 1.00 0.00 O ATOM 1989 CB PHE B 103 -3.537 -13.801 -1.373 1.00 0.00 C ATOM 1990 CG PHE B 103 -3.232 -13.572 -2.826 1.00 0.00 C ATOM 1991 CD1 PHE B 103 -2.393 -14.432 -3.515 1.00 0.00 C ATOM 1992 CD2 PHE B 103 -3.792 -12.502 -3.504 1.00 0.00 C ATOM 1993 CE1 PHE B 103 -2.116 -14.229 -4.853 1.00 0.00 C ATOM 1994 CE2 PHE B 103 -3.520 -12.293 -4.843 1.00 0.00 C ATOM 1995 CZ PHE B 103 -2.681 -13.158 -5.518 1.00 0.00 C ATOM 0 H PHE B 103 -6.146 -13.312 -1.465 1.00 0.00 H new ATOM 0 HA PHE B 103 -4.456 -15.734 -1.629 1.00 0.00 H new ATOM 0 HB2 PHE B 103 -3.787 -12.848 -0.907 1.00 0.00 H new ATOM 0 HB3 PHE B 103 -2.642 -14.175 -0.876 1.00 0.00 H new ATOM 0 HD1 PHE B 103 -1.950 -15.272 -3.000 1.00 0.00 H new ATOM 0 HD2 PHE B 103 -4.449 -11.823 -2.980 1.00 0.00 H new ATOM 0 HE1 PHE B 103 -1.459 -14.906 -5.378 1.00 0.00 H new ATOM 0 HE2 PHE B 103 -3.963 -11.455 -5.361 1.00 0.00 H new ATOM 0 HZ PHE B 103 -2.467 -12.997 -6.564 1.00 0.00 H new