USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 741 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: A 83 ASN : amide:sc= -7.31! C(o=-6.2!,f=-9.6!) USER MOD Set 1.2: A 103 THR OG1 : rot 84:sc= 1.14 USER MOD Set 2.1: A 50 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Set 2.2: A 53 LYS NZ :NH3+ -152:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -1.16 K(o=-1.2,f=-5.4!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 MET CE :methyl 149:sc= -0.208 (180deg=-0.507) USER MOD Single : A 22 GLN : amide:sc= -0.552 K(o=-0.55,f=-2.2!) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 111:sc= 0.368 USER MOD Single : A 49 GLN : amide:sc=-0.00214 X(o=-0.0021,f=0) USER MOD Single : A 59 LYS NZ :NH3+ -114:sc= 0 (180deg=-0.571) USER MOD Single : A 62 GLN : amide:sc= -0.0265 K(o=-0.027,f=-2!) USER MOD Single : A 65 SER OG : rot -63:sc= 0.0423 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc=-0.00288 X(o=-0.0029,f=0) USER MOD Single : A 78 GLN : amide:sc= -1.79 K(o=-1.8,f=-9.1!) USER MOD Single : A 84 HIS : no HD1:sc= -0.131 X(o=-0.13,f=-0.29) USER MOD Single : A 85 THR OG1 : rot -6:sc= 0.905 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 90 ASN : amide:sc= 0 K(o=0,f=-2.1) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HD1:sc= -3.67 K(o=-3.7,f=-2.5) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 101 GLN : amide:sc= -0.36 X(o=-0.36,f=-0.31) USER MOD Single : A 102 GLN : amide:sc= -0.0593 X(o=-0.059,f=-0.018) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 121 N ASP A 12 3.789 -12.695 -12.594 1.00 0.00 N ATOM 122 CA ASP A 12 3.633 -11.355 -13.148 1.00 0.00 C ATOM 123 C ASP A 12 3.155 -10.377 -12.079 1.00 0.00 C ATOM 124 O ASP A 12 3.051 -10.728 -10.904 1.00 0.00 O ATOM 125 CB ASP A 12 2.645 -11.375 -14.316 1.00 0.00 C ATOM 126 CG ASP A 12 1.208 -11.209 -13.862 1.00 0.00 C ATOM 127 OD1 ASP A 12 0.700 -12.109 -13.162 1.00 0.00 O ATOM 128 OD2 ASP A 12 0.592 -10.179 -14.208 1.00 0.00 O ATOM 0 HA ASP A 12 4.606 -11.023 -13.510 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.897 -10.577 -15.015 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.746 -12.316 -14.857 1.00 0.00 H new ATOM 133 N PHE A 13 2.868 -9.148 -12.494 1.00 0.00 N ATOM 134 CA PHE A 13 2.403 -8.118 -11.572 1.00 0.00 C ATOM 135 C PHE A 13 1.076 -8.518 -10.934 1.00 0.00 C ATOM 136 O PHE A 13 0.857 -8.298 -9.743 1.00 0.00 O ATOM 137 CB PHE A 13 2.249 -6.782 -12.302 1.00 0.00 C ATOM 138 CG PHE A 13 1.593 -5.717 -11.470 1.00 0.00 C ATOM 139 CD1 PHE A 13 2.047 -5.441 -10.191 1.00 0.00 C ATOM 140 CD2 PHE A 13 0.522 -4.993 -11.968 1.00 0.00 C ATOM 141 CE1 PHE A 13 1.445 -4.461 -9.423 1.00 0.00 C ATOM 142 CE2 PHE A 13 -0.083 -4.012 -11.205 1.00 0.00 C ATOM 143 CZ PHE A 13 0.378 -3.747 -9.931 1.00 0.00 C ATOM 0 H PHE A 13 2.949 -8.841 -13.463 1.00 0.00 H new ATOM 0 HA PHE A 13 3.147 -8.009 -10.783 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.233 -6.433 -12.615 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.663 -6.937 -13.208 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.881 -5.997 -9.789 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.156 -5.197 -12.963 1.00 0.00 H new ATOM 0 HE1 PHE A 13 1.809 -4.254 -8.427 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.916 -3.453 -11.605 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.095 -2.982 -9.333 1.00 0.00 H new ATOM 153 N ASN A 14 0.194 -9.106 -11.736 1.00 0.00 N ATOM 154 CA ASN A 14 -1.112 -9.536 -11.250 1.00 0.00 C ATOM 155 C ASN A 14 -0.982 -10.765 -10.355 1.00 0.00 C ATOM 156 O ASN A 14 -1.842 -11.026 -9.514 1.00 0.00 O ATOM 157 CB ASN A 14 -2.040 -9.844 -12.427 1.00 0.00 C ATOM 158 CG ASN A 14 -2.516 -8.588 -13.132 1.00 0.00 C ATOM 159 OD1 ASN A 14 -3.264 -7.791 -12.566 1.00 0.00 O ATOM 160 ND2 ASN A 14 -2.083 -8.407 -14.374 1.00 0.00 N ATOM 0 H ASN A 14 0.360 -9.295 -12.724 1.00 0.00 H new ATOM 0 HA ASN A 14 -1.539 -8.724 -10.661 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.518 -10.482 -13.140 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.903 -10.405 -12.069 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.370 -7.581 -14.899 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.464 -9.094 -14.803 1.00 0.00 H new ATOM 167 N SER A 15 0.099 -11.515 -10.542 1.00 0.00 N ATOM 168 CA SER A 15 0.340 -12.718 -9.754 1.00 0.00 C ATOM 169 C SER A 15 1.009 -12.373 -8.427 1.00 0.00 C ATOM 170 O SER A 15 0.622 -12.878 -7.373 1.00 0.00 O ATOM 171 CB SER A 15 1.213 -13.700 -10.538 1.00 0.00 C ATOM 172 OG SER A 15 0.978 -15.034 -10.123 1.00 0.00 O ATOM 0 H SER A 15 0.822 -11.311 -11.232 1.00 0.00 H new ATOM 0 HA SER A 15 -0.623 -13.185 -9.545 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.005 -13.605 -11.604 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.265 -13.451 -10.395 1.00 0.00 H new ATOM 0 HG SER A 15 1.546 -15.642 -10.640 1.00 0.00 H new ATOM 178 N VAL A 16 2.017 -11.509 -8.487 1.00 0.00 N ATOM 179 CA VAL A 16 2.741 -11.094 -7.291 1.00 0.00 C ATOM 180 C VAL A 16 1.810 -10.411 -6.295 1.00 0.00 C ATOM 181 O VAL A 16 1.812 -10.734 -5.106 1.00 0.00 O ATOM 182 CB VAL A 16 3.896 -10.136 -7.637 1.00 0.00 C ATOM 183 CG1 VAL A 16 3.386 -8.957 -8.451 1.00 0.00 C ATOM 184 CG2 VAL A 16 4.591 -9.660 -6.371 1.00 0.00 C ATOM 0 H VAL A 16 2.351 -11.083 -9.351 1.00 0.00 H new ATOM 0 HA VAL A 16 3.152 -11.998 -6.840 1.00 0.00 H new ATOM 0 HB VAL A 16 4.624 -10.676 -8.242 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.216 -8.291 -8.686 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.939 -9.320 -9.376 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.637 -8.414 -7.875 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.404 -8.984 -6.635 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.875 -9.136 -5.738 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.993 -10.518 -5.832 1.00 0.00 H new ATOM 194 N ILE A 17 1.017 -9.466 -6.787 1.00 0.00 N ATOM 195 CA ILE A 17 0.080 -8.739 -5.940 1.00 0.00 C ATOM 196 C ILE A 17 -0.938 -9.683 -5.309 1.00 0.00 C ATOM 197 O ILE A 17 -1.205 -9.611 -4.110 1.00 0.00 O ATOM 198 CB ILE A 17 -0.669 -7.651 -6.733 1.00 0.00 C ATOM 199 CG1 ILE A 17 0.318 -6.619 -7.282 1.00 0.00 C ATOM 200 CG2 ILE A 17 -1.713 -6.979 -5.854 1.00 0.00 C ATOM 201 CD1 ILE A 17 1.049 -5.849 -6.204 1.00 0.00 C ATOM 0 H ILE A 17 1.004 -9.186 -7.768 1.00 0.00 H new ATOM 0 HA ILE A 17 0.668 -8.265 -5.154 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.179 -8.121 -7.574 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.048 -7.126 -7.913 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.220 -5.916 -7.918 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.234 -6.213 -6.428 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.430 -7.723 -5.508 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.224 -6.519 -4.995 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.732 -5.136 -6.666 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.328 -5.314 -5.587 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.615 -6.542 -5.582 1.00 0.00 H new ATOM 213 N GLN A 18 -1.501 -10.568 -6.125 1.00 0.00 N ATOM 214 CA GLN A 18 -2.489 -11.527 -5.645 1.00 0.00 C ATOM 215 C GLN A 18 -1.901 -12.415 -4.554 1.00 0.00 C ATOM 216 O GLN A 18 -2.618 -12.893 -3.676 1.00 0.00 O ATOM 217 CB GLN A 18 -2.997 -12.390 -6.802 1.00 0.00 C ATOM 218 CG GLN A 18 -3.931 -11.651 -7.748 1.00 0.00 C ATOM 219 CD GLN A 18 -5.277 -11.348 -7.119 1.00 0.00 C ATOM 220 OE1 GLN A 18 -5.399 -11.263 -5.897 1.00 0.00 O ATOM 221 NE2 GLN A 18 -6.296 -11.182 -7.954 1.00 0.00 N ATOM 0 H GLN A 18 -1.290 -10.641 -7.120 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.324 -10.969 -5.223 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.143 -12.765 -7.367 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.517 -13.258 -6.396 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.462 -10.718 -8.061 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.080 -12.250 -8.647 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.149 -11.261 -8.960 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.226 -10.975 -7.589 1.00 0.00 H new ATOM 230 N GLN A 19 -0.591 -12.633 -4.617 1.00 0.00 N ATOM 231 CA GLN A 19 0.093 -13.465 -3.634 1.00 0.00 C ATOM 232 C GLN A 19 0.283 -12.712 -2.322 1.00 0.00 C ATOM 233 O GLN A 19 0.043 -13.255 -1.244 1.00 0.00 O ATOM 234 CB GLN A 19 1.450 -13.919 -4.176 1.00 0.00 C ATOM 235 CG GLN A 19 1.364 -15.128 -5.094 1.00 0.00 C ATOM 236 CD GLN A 19 2.612 -15.988 -5.043 1.00 0.00 C ATOM 237 OE1 GLN A 19 3.698 -15.549 -5.421 1.00 0.00 O ATOM 238 NE2 GLN A 19 2.462 -17.222 -4.575 1.00 0.00 N ATOM 0 H GLN A 19 0.017 -12.245 -5.338 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.526 -14.341 -3.442 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.910 -13.093 -4.718 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.106 -14.155 -3.338 1.00 0.00 H new ATOM 0 HG2 GLN A 19 0.500 -15.731 -4.815 1.00 0.00 H new ATOM 0 HG3 GLN A 19 1.201 -14.791 -6.118 1.00 0.00 H new ATOM 0 HE21 GLN A 19 1.543 -17.544 -4.272 1.00 0.00 H new ATOM 0 HE22 GLN A 19 3.266 -17.847 -4.518 1.00 0.00 H new ATOM 247 N MET A 20 0.715 -11.459 -2.421 1.00 0.00 N ATOM 248 CA MET A 20 0.936 -10.632 -1.240 1.00 0.00 C ATOM 249 C MET A 20 -0.378 -10.355 -0.517 1.00 0.00 C ATOM 250 O MET A 20 -0.429 -10.340 0.713 1.00 0.00 O ATOM 251 CB MET A 20 1.603 -9.312 -1.633 1.00 0.00 C ATOM 252 CG MET A 20 2.828 -9.490 -2.516 1.00 0.00 C ATOM 253 SD MET A 20 3.082 -8.102 -3.639 1.00 0.00 S ATOM 254 CE MET A 20 4.027 -6.993 -2.597 1.00 0.00 C ATOM 0 H MET A 20 0.919 -10.994 -3.306 1.00 0.00 H new ATOM 0 HA MET A 20 1.595 -11.177 -0.564 1.00 0.00 H new ATOM 0 HB2 MET A 20 0.877 -8.688 -2.154 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.892 -8.777 -0.728 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.710 -9.610 -1.887 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.723 -10.407 -3.096 1.00 0.00 H new ATOM 0 HE1 MET A 20 4.705 -6.403 -3.214 1.00 0.00 H new ATOM 0 HE2 MET A 20 3.348 -6.327 -2.065 1.00 0.00 H new ATOM 0 HE3 MET A 20 4.604 -7.573 -1.877 1.00 0.00 H new ATOM 264 N ALA A 21 -1.438 -10.137 -1.288 1.00 0.00 N ATOM 265 CA ALA A 21 -2.752 -9.862 -0.720 1.00 0.00 C ATOM 266 C ALA A 21 -3.329 -11.103 -0.045 1.00 0.00 C ATOM 267 O ALA A 21 -3.970 -11.009 1.001 1.00 0.00 O ATOM 268 CB ALA A 21 -3.699 -9.358 -1.799 1.00 0.00 C ATOM 0 H ALA A 21 -1.413 -10.145 -2.308 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.638 -9.087 0.038 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.676 -9.157 -1.360 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.301 -8.441 -2.233 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.799 -10.115 -2.577 1.00 0.00 H new ATOM 274 N GLN A 22 -3.097 -12.262 -0.652 1.00 0.00 N ATOM 275 CA GLN A 22 -3.595 -13.521 -0.110 1.00 0.00 C ATOM 276 C GLN A 22 -5.120 -13.528 -0.063 1.00 0.00 C ATOM 277 O GLN A 22 -5.718 -13.953 0.924 1.00 0.00 O ATOM 278 CB GLN A 22 -3.029 -13.757 1.291 1.00 0.00 C ATOM 279 CG GLN A 22 -1.511 -13.700 1.351 1.00 0.00 C ATOM 280 CD GLN A 22 -0.864 -15.036 1.043 1.00 0.00 C ATOM 281 OE1 GLN A 22 -1.535 -16.068 0.999 1.00 0.00 O ATOM 282 NE2 GLN A 22 0.446 -15.024 0.827 1.00 0.00 N ATOM 0 H GLN A 22 -2.568 -12.356 -1.519 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.266 -14.326 -0.767 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.440 -13.010 1.970 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -3.362 -14.731 1.649 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -1.151 -12.954 0.642 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -1.203 -13.371 2.343 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.963 -14.146 0.873 1.00 0.00 H new ATOM 0 HE22 GLN A 22 0.936 -15.893 0.615 1.00 0.00 H new ATOM 291 N GLY A 23 -5.742 -13.053 -1.138 1.00 0.00 N ATOM 292 CA GLY A 23 -7.192 -13.013 -1.198 1.00 0.00 C ATOM 293 C GLY A 23 -7.751 -11.659 -0.810 1.00 0.00 C ATOM 294 O GLY A 23 -8.706 -11.176 -1.419 1.00 0.00 O ATOM 0 H GLY A 23 -5.268 -12.696 -1.968 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.518 -13.261 -2.208 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.601 -13.775 -0.535 1.00 0.00 H new ATOM 298 N ARG A 24 -7.156 -11.044 0.207 1.00 0.00 N ATOM 299 CA ARG A 24 -7.603 -9.739 0.678 1.00 0.00 C ATOM 300 C ARG A 24 -8.023 -8.853 -0.492 1.00 0.00 C ATOM 301 O ARG A 24 -7.354 -8.816 -1.525 1.00 0.00 O ATOM 302 CB ARG A 24 -6.493 -9.054 1.477 1.00 0.00 C ATOM 303 CG ARG A 24 -6.286 -9.644 2.862 1.00 0.00 C ATOM 304 CD ARG A 24 -5.113 -8.992 3.577 1.00 0.00 C ATOM 305 NE ARG A 24 -3.857 -9.688 3.313 1.00 0.00 N ATOM 306 CZ ARG A 24 -2.666 -9.211 3.659 1.00 0.00 C ATOM 307 NH1 ARG A 24 -2.571 -8.043 4.279 1.00 0.00 N ATOM 308 NH2 ARG A 24 -1.567 -9.902 3.384 1.00 0.00 N ATOM 0 H ARG A 24 -6.363 -11.429 0.720 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.467 -9.891 1.325 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.559 -9.123 0.919 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.728 -7.994 1.574 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.192 -9.513 3.453 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.112 -10.717 2.779 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.026 -7.953 3.258 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.303 -8.981 4.650 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.896 -10.589 2.837 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.413 -7.508 4.491 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.656 -7.679 4.544 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.636 -10.801 2.906 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.654 -9.534 3.650 1.00 0.00 H new ATOM 322 N GLN A 25 -9.134 -8.144 -0.322 1.00 0.00 N ATOM 323 CA GLN A 25 -9.642 -7.260 -1.364 1.00 0.00 C ATOM 324 C GLN A 25 -8.654 -6.136 -1.655 1.00 0.00 C ATOM 325 O GLN A 25 -8.362 -5.313 -0.787 1.00 0.00 O ATOM 326 CB GLN A 25 -10.993 -6.674 -0.951 1.00 0.00 C ATOM 327 CG GLN A 25 -11.443 -5.510 -1.819 1.00 0.00 C ATOM 328 CD GLN A 25 -12.764 -4.920 -1.367 1.00 0.00 C ATOM 329 OE1 GLN A 25 -13.640 -5.633 -0.876 1.00 0.00 O ATOM 330 NE2 GLN A 25 -12.915 -3.611 -1.530 1.00 0.00 N ATOM 0 H GLN A 25 -9.699 -8.164 0.527 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.772 -7.848 -2.272 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.748 -7.459 -0.991 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.934 -6.342 0.085 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.678 -4.733 -1.803 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.534 -5.846 -2.852 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.163 -3.058 -1.941 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.783 -3.158 -1.244 1.00 0.00 H new ATOM 339 N ILE A 26 -8.142 -6.108 -2.881 1.00 0.00 N ATOM 340 CA ILE A 26 -7.186 -5.084 -3.285 1.00 0.00 C ATOM 341 C ILE A 26 -7.899 -3.855 -3.840 1.00 0.00 C ATOM 342 O ILE A 26 -8.910 -3.973 -4.533 1.00 0.00 O ATOM 343 CB ILE A 26 -6.205 -5.617 -4.346 1.00 0.00 C ATOM 344 CG1 ILE A 26 -5.516 -6.886 -3.842 1.00 0.00 C ATOM 345 CG2 ILE A 26 -5.176 -4.553 -4.698 1.00 0.00 C ATOM 346 CD1 ILE A 26 -4.884 -7.709 -4.944 1.00 0.00 C ATOM 0 H ILE A 26 -8.373 -6.782 -3.611 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.626 -4.805 -2.392 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.766 -5.864 -5.247 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.748 -6.610 -3.119 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.245 -7.500 -3.313 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.490 -4.945 -5.449 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.683 -3.673 -5.094 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.617 -4.278 -3.804 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.414 -8.593 -4.514 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.651 -8.015 -5.655 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.131 -7.112 -5.458 1.00 0.00 H new ATOM 358 N GLU A 27 -7.365 -2.678 -3.532 1.00 0.00 N ATOM 359 CA GLU A 27 -7.950 -1.427 -4.002 1.00 0.00 C ATOM 360 C GLU A 27 -6.873 -0.492 -4.544 1.00 0.00 C ATOM 361 O GLU A 27 -5.680 -0.729 -4.359 1.00 0.00 O ATOM 362 CB GLU A 27 -8.715 -0.740 -2.869 1.00 0.00 C ATOM 363 CG GLU A 27 -10.155 -1.207 -2.735 1.00 0.00 C ATOM 364 CD GLU A 27 -11.017 -0.786 -3.909 1.00 0.00 C ATOM 365 OE1 GLU A 27 -10.936 -1.441 -4.969 1.00 0.00 O ATOM 366 OE2 GLU A 27 -11.772 0.199 -3.768 1.00 0.00 O ATOM 0 H GLU A 27 -6.529 -2.564 -2.959 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.643 -1.660 -4.810 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.194 -0.921 -1.929 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.705 0.337 -3.036 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.174 -2.293 -2.646 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.579 -0.805 -1.815 1.00 0.00 H new ATOM 373 N TYR A 28 -7.304 0.570 -5.216 1.00 0.00 N ATOM 374 CA TYR A 28 -6.378 1.540 -5.788 1.00 0.00 C ATOM 375 C TYR A 28 -6.561 2.912 -5.147 1.00 0.00 C ATOM 376 O TYR A 28 -7.633 3.511 -5.231 1.00 0.00 O ATOM 377 CB TYR A 28 -6.583 1.640 -7.301 1.00 0.00 C ATOM 378 CG TYR A 28 -6.939 0.323 -7.952 1.00 0.00 C ATOM 379 CD1 TYR A 28 -6.030 -0.727 -7.984 1.00 0.00 C ATOM 380 CD2 TYR A 28 -8.185 0.130 -8.537 1.00 0.00 C ATOM 381 CE1 TYR A 28 -6.351 -1.932 -8.579 1.00 0.00 C ATOM 382 CE2 TYR A 28 -8.515 -1.072 -9.133 1.00 0.00 C ATOM 383 CZ TYR A 28 -7.595 -2.100 -9.151 1.00 0.00 C ATOM 384 OH TYR A 28 -7.920 -3.298 -9.745 1.00 0.00 O ATOM 0 H TYR A 28 -8.289 0.781 -5.378 1.00 0.00 H new ATOM 0 HA TYR A 28 -5.363 1.198 -5.587 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.374 2.362 -7.505 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -5.672 2.027 -7.758 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -5.056 -0.599 -7.536 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -8.907 0.933 -8.525 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.632 -2.738 -8.596 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -9.488 -1.206 -9.582 1.00 0.00 H new ATOM 0 HH TYR A 28 -8.833 -3.251 -10.098 1.00 0.00 H new ATOM 394 N ILE A 29 -5.505 3.403 -4.506 1.00 0.00 N ATOM 395 CA ILE A 29 -5.547 4.705 -3.852 1.00 0.00 C ATOM 396 C ILE A 29 -4.679 5.719 -4.589 1.00 0.00 C ATOM 397 O ILE A 29 -3.457 5.729 -4.441 1.00 0.00 O ATOM 398 CB ILE A 29 -5.080 4.614 -2.387 1.00 0.00 C ATOM 399 CG1 ILE A 29 -5.782 3.456 -1.676 1.00 0.00 C ATOM 400 CG2 ILE A 29 -5.345 5.926 -1.664 1.00 0.00 C ATOM 401 CD1 ILE A 29 -7.264 3.681 -1.473 1.00 0.00 C ATOM 0 H ILE A 29 -4.611 2.919 -4.426 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.585 5.036 -3.874 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.006 4.426 -2.374 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.637 2.544 -2.255 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.311 3.297 -0.706 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.010 5.846 -0.630 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.803 6.731 -2.160 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.413 6.143 -1.683 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -7.696 2.820 -0.963 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.417 4.575 -0.868 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.748 3.810 -2.441 1.00 0.00 H new ATOM 413 N ASP A 30 -5.319 6.572 -5.381 1.00 0.00 N ATOM 414 CA ASP A 30 -4.606 7.594 -6.139 1.00 0.00 C ATOM 415 C ASP A 30 -4.488 8.885 -5.335 1.00 0.00 C ATOM 416 O ASP A 30 -5.443 9.656 -5.238 1.00 0.00 O ATOM 417 CB ASP A 30 -5.319 7.867 -7.464 1.00 0.00 C ATOM 418 CG ASP A 30 -4.372 8.359 -8.541 1.00 0.00 C ATOM 419 OD1 ASP A 30 -3.380 7.656 -8.824 1.00 0.00 O ATOM 420 OD2 ASP A 30 -4.623 9.447 -9.100 1.00 0.00 O ATOM 0 H ASP A 30 -6.330 6.576 -5.515 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.602 7.223 -6.345 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.809 6.955 -7.804 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.102 8.609 -7.306 1.00 0.00 H new ATOM 425 N ILE A 31 -3.312 9.112 -4.760 1.00 0.00 N ATOM 426 CA ILE A 31 -3.070 10.310 -3.964 1.00 0.00 C ATOM 427 C ILE A 31 -2.428 11.408 -4.805 1.00 0.00 C ATOM 428 O ILE A 31 -1.433 11.175 -5.491 1.00 0.00 O ATOM 429 CB ILE A 31 -2.165 10.009 -2.755 1.00 0.00 C ATOM 430 CG1 ILE A 31 -2.881 9.078 -1.774 1.00 0.00 C ATOM 431 CG2 ILE A 31 -1.756 11.301 -2.065 1.00 0.00 C ATOM 432 CD1 ILE A 31 -1.969 8.499 -0.715 1.00 0.00 C ATOM 0 H ILE A 31 -2.512 8.483 -4.830 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.041 10.652 -3.604 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.264 9.509 -3.110 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.687 9.627 -1.287 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.342 8.262 -2.331 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.117 11.072 -1.213 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.212 11.932 -2.767 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.646 11.827 -1.720 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.544 7.849 -0.055 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.177 7.922 -1.193 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.528 9.308 -0.133 1.00 0.00 H new ATOM 444 N GLU A 32 -3.003 12.605 -4.745 1.00 0.00 N ATOM 445 CA GLU A 32 -2.485 13.739 -5.500 1.00 0.00 C ATOM 446 C GLU A 32 -1.394 14.462 -4.716 1.00 0.00 C ATOM 447 O GLU A 32 -1.680 15.305 -3.866 1.00 0.00 O ATOM 448 CB GLU A 32 -3.615 14.713 -5.839 1.00 0.00 C ATOM 449 CG GLU A 32 -4.489 14.253 -6.995 1.00 0.00 C ATOM 450 CD GLU A 32 -5.487 15.309 -7.427 1.00 0.00 C ATOM 451 OE1 GLU A 32 -5.185 16.511 -7.273 1.00 0.00 O ATOM 452 OE2 GLU A 32 -6.572 14.933 -7.920 1.00 0.00 O ATOM 0 H GLU A 32 -3.827 12.814 -4.182 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.052 13.359 -6.425 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.239 14.854 -4.956 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.185 15.684 -6.084 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.856 13.989 -7.842 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.025 13.350 -6.704 1.00 0.00 H new ATOM 459 N ARG A 33 -0.142 14.126 -5.009 1.00 0.00 N ATOM 460 CA ARG A 33 0.993 14.741 -4.330 1.00 0.00 C ATOM 461 C ARG A 33 0.934 16.262 -4.443 1.00 0.00 C ATOM 462 O ARG A 33 0.995 16.831 -5.533 1.00 0.00 O ATOM 463 CB ARG A 33 2.307 14.226 -4.920 1.00 0.00 C ATOM 464 CG ARG A 33 2.837 12.979 -4.231 1.00 0.00 C ATOM 465 CD ARG A 33 3.749 13.332 -3.066 1.00 0.00 C ATOM 466 NE ARG A 33 4.937 14.060 -3.503 1.00 0.00 N ATOM 467 CZ ARG A 33 6.063 14.119 -2.799 1.00 0.00 C ATOM 468 NH1 ARG A 33 6.152 13.497 -1.632 1.00 0.00 N ATOM 469 NH2 ARG A 33 7.101 14.802 -3.263 1.00 0.00 N ATOM 0 H ARG A 33 0.112 13.432 -5.712 1.00 0.00 H new ATOM 0 HA ARG A 33 0.945 14.470 -3.275 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.161 14.011 -5.979 1.00 0.00 H new ATOM 0 HB3 ARG A 33 3.058 15.013 -4.855 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.002 12.378 -3.872 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.383 12.369 -4.950 1.00 0.00 H new ATOM 0 HD2 ARG A 33 3.199 13.936 -2.345 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.051 12.419 -2.553 1.00 0.00 H new ATOM 0 HE ARG A 33 4.901 14.550 -4.397 1.00 0.00 H new ATOM 0 HH11 ARG A 33 5.355 12.971 -1.272 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.017 13.544 -1.094 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.035 15.282 -4.160 1.00 0.00 H new ATOM 0 HH22 ARG A 33 7.965 14.847 -2.722 1.00 0.00 H new ATOM 536 N LEU A 39 2.446 13.775 2.023 1.00 0.00 N ATOM 537 CA LEU A 39 1.351 12.870 1.691 1.00 0.00 C ATOM 538 C LEU A 39 0.259 12.922 2.756 1.00 0.00 C ATOM 539 O LEU A 39 -0.918 12.722 2.463 1.00 0.00 O ATOM 540 CB LEU A 39 1.871 11.438 1.549 1.00 0.00 C ATOM 541 CG LEU A 39 3.323 11.295 1.092 1.00 0.00 C ATOM 542 CD1 LEU A 39 3.722 9.828 1.032 1.00 0.00 C ATOM 543 CD2 LEU A 39 3.524 11.959 -0.262 1.00 0.00 C ATOM 0 HA LEU A 39 0.923 13.191 0.741 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.762 10.936 2.510 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.234 10.910 0.840 1.00 0.00 H new ATOM 0 HG LEU A 39 3.963 11.795 1.819 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.758 9.746 0.705 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.617 9.382 2.021 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.077 9.304 0.327 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.563 11.847 -0.571 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.873 11.488 -0.999 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.280 13.019 -0.187 1.00 0.00 H new ATOM 555 N GLY A 40 0.660 13.196 3.994 1.00 0.00 N ATOM 556 CA GLY A 40 -0.296 13.272 5.083 1.00 0.00 C ATOM 557 C GLY A 40 -0.612 11.912 5.674 1.00 0.00 C ATOM 558 O GLY A 40 -1.588 11.758 6.408 1.00 0.00 O ATOM 0 H GLY A 40 1.629 13.367 4.262 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.099 13.921 5.864 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.217 13.731 4.723 1.00 0.00 H new ATOM 562 N PHE A 41 0.214 10.922 5.351 1.00 0.00 N ATOM 563 CA PHE A 41 0.015 9.567 5.853 1.00 0.00 C ATOM 564 C PHE A 41 1.354 8.884 6.116 1.00 0.00 C ATOM 565 O PHE A 41 2.219 8.830 5.242 1.00 0.00 O ATOM 566 CB PHE A 41 -0.802 8.746 4.854 1.00 0.00 C ATOM 567 CG PHE A 41 0.003 8.245 3.689 1.00 0.00 C ATOM 568 CD1 PHE A 41 0.853 7.160 3.833 1.00 0.00 C ATOM 569 CD2 PHE A 41 -0.090 8.858 2.450 1.00 0.00 C ATOM 570 CE1 PHE A 41 1.596 6.698 2.763 1.00 0.00 C ATOM 571 CE2 PHE A 41 0.650 8.400 1.376 1.00 0.00 C ATOM 572 CZ PHE A 41 1.493 7.318 1.533 1.00 0.00 C ATOM 0 H PHE A 41 1.027 11.032 4.745 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.532 9.630 6.794 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.245 7.895 5.372 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.625 9.356 4.481 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.936 6.670 4.792 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.749 9.704 2.322 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.257 5.853 2.889 1.00 0.00 H new ATOM 0 HE2 PHE A 41 0.569 8.888 0.416 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.071 6.957 0.695 1.00 0.00 H new ATOM 582 N SER A 42 1.517 8.363 7.328 1.00 0.00 N ATOM 583 CA SER A 42 2.751 7.686 7.710 1.00 0.00 C ATOM 584 C SER A 42 2.718 6.220 7.291 1.00 0.00 C ATOM 585 O SER A 42 1.691 5.713 6.840 1.00 0.00 O ATOM 586 CB SER A 42 2.969 7.792 9.220 1.00 0.00 C ATOM 587 OG SER A 42 3.518 9.051 9.569 1.00 0.00 O ATOM 0 H SER A 42 0.810 8.397 8.062 1.00 0.00 H new ATOM 0 HA SER A 42 3.579 8.174 7.196 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.021 7.649 9.738 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.636 6.996 9.551 1.00 0.00 H new ATOM 0 HG SER A 42 3.646 9.094 10.540 1.00 0.00 H new ATOM 593 N VAL A 43 3.852 5.542 7.443 1.00 0.00 N ATOM 594 CA VAL A 43 3.954 4.133 7.082 1.00 0.00 C ATOM 595 C VAL A 43 4.921 3.398 8.004 1.00 0.00 C ATOM 596 O VAL A 43 5.889 3.978 8.495 1.00 0.00 O ATOM 597 CB VAL A 43 4.421 3.959 5.625 1.00 0.00 C ATOM 598 CG1 VAL A 43 3.414 4.575 4.665 1.00 0.00 C ATOM 599 CG2 VAL A 43 5.799 4.572 5.430 1.00 0.00 C ATOM 0 H VAL A 43 4.712 5.946 7.814 1.00 0.00 H new ATOM 0 HA VAL A 43 2.957 3.706 7.190 1.00 0.00 H new ATOM 0 HB VAL A 43 4.489 2.893 5.409 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.760 4.443 3.640 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.448 4.085 4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.311 5.639 4.879 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.113 4.440 4.395 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.760 5.636 5.664 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.513 4.081 6.091 1.00 0.00 H new ATOM 609 N VAL A 44 4.651 2.117 8.236 1.00 0.00 N ATOM 610 CA VAL A 44 5.498 1.302 9.098 1.00 0.00 C ATOM 611 C VAL A 44 6.149 0.167 8.315 1.00 0.00 C ATOM 612 O VAL A 44 5.567 -0.361 7.368 1.00 0.00 O ATOM 613 CB VAL A 44 4.696 0.706 10.271 1.00 0.00 C ATOM 614 CG1 VAL A 44 4.181 1.811 11.182 1.00 0.00 C ATOM 615 CG2 VAL A 44 3.548 -0.147 9.753 1.00 0.00 C ATOM 0 H VAL A 44 3.853 1.622 7.839 1.00 0.00 H new ATOM 0 HA VAL A 44 6.273 1.959 9.493 1.00 0.00 H new ATOM 0 HB VAL A 44 5.359 0.067 10.854 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.617 1.371 12.005 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.024 2.376 11.581 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.533 2.478 10.614 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.993 -0.560 10.595 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.883 0.468 9.146 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.945 -0.961 9.146 1.00 0.00 H new ATOM 625 N ALA A 45 7.360 -0.203 8.718 1.00 0.00 N ATOM 626 CA ALA A 45 8.091 -1.276 8.055 1.00 0.00 C ATOM 627 C ALA A 45 8.076 -2.550 8.894 1.00 0.00 C ATOM 628 O ALA A 45 8.484 -2.545 10.056 1.00 0.00 O ATOM 629 CB ALA A 45 9.522 -0.845 7.773 1.00 0.00 C ATOM 0 H ALA A 45 7.856 0.224 9.500 1.00 0.00 H new ATOM 0 HA ALA A 45 7.595 -1.489 7.108 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.055 -1.656 7.278 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.517 0.033 7.127 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.021 -0.603 8.711 1.00 0.00 H new ATOM 635 N LEU A 46 7.602 -3.639 8.299 1.00 0.00 N ATOM 636 CA LEU A 46 7.533 -4.920 8.992 1.00 0.00 C ATOM 637 C LEU A 46 7.857 -6.070 8.044 1.00 0.00 C ATOM 638 O LEU A 46 7.069 -6.397 7.157 1.00 0.00 O ATOM 639 CB LEU A 46 6.142 -5.121 9.598 1.00 0.00 C ATOM 640 CG LEU A 46 5.594 -3.953 10.420 1.00 0.00 C ATOM 641 CD1 LEU A 46 4.073 -3.975 10.428 1.00 0.00 C ATOM 642 CD2 LEU A 46 6.138 -3.999 11.840 1.00 0.00 C ATOM 0 H LEU A 46 7.260 -3.660 7.338 1.00 0.00 H new ATOM 0 HA LEU A 46 8.274 -4.912 9.792 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.442 -5.330 8.789 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.169 -6.006 10.234 1.00 0.00 H new ATOM 0 HG LEU A 46 5.921 -3.022 9.958 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.700 -3.137 11.017 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.703 -3.893 9.406 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.725 -4.910 10.866 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.738 -3.161 12.410 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.841 -4.935 12.313 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.226 -3.934 11.815 1.00 0.00 H new ATOM 654 N ARG A 47 9.021 -6.681 8.240 1.00 0.00 N ATOM 655 CA ARG A 47 9.449 -7.796 7.403 1.00 0.00 C ATOM 656 C ARG A 47 8.406 -8.910 7.405 1.00 0.00 C ATOM 657 O ARG A 47 8.141 -9.524 8.439 1.00 0.00 O ATOM 658 CB ARG A 47 10.793 -8.340 7.890 1.00 0.00 C ATOM 659 CG ARG A 47 11.655 -8.918 6.780 1.00 0.00 C ATOM 660 CD ARG A 47 12.538 -10.046 7.289 1.00 0.00 C ATOM 661 NE ARG A 47 13.819 -9.555 7.790 1.00 0.00 N ATOM 662 CZ ARG A 47 14.761 -10.344 8.294 1.00 0.00 C ATOM 663 NH1 ARG A 47 14.568 -11.654 8.363 1.00 0.00 N ATOM 664 NH2 ARG A 47 15.901 -9.822 8.731 1.00 0.00 N ATOM 0 H ARG A 47 9.684 -6.423 8.971 1.00 0.00 H new ATOM 0 HA ARG A 47 9.561 -7.429 6.383 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.342 -7.539 8.385 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.613 -9.112 8.638 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.017 -9.288 5.978 1.00 0.00 H new ATOM 0 HG3 ARG A 47 12.278 -8.131 6.354 1.00 0.00 H new ATOM 0 HD2 ARG A 47 12.019 -10.582 8.084 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.713 -10.760 6.485 1.00 0.00 H new ATOM 0 HE ARG A 47 14.000 -8.552 7.751 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.694 -12.059 8.028 1.00 0.00 H new ATOM 0 HH12 ARG A 47 15.294 -12.257 8.751 1.00 0.00 H new ATOM 0 HH21 ARG A 47 16.053 -8.815 8.680 1.00 0.00 H new ATOM 0 HH22 ARG A 47 16.624 -10.428 9.118 1.00 0.00 H new ATOM 678 N SER A 48 7.816 -9.163 6.241 1.00 0.00 N ATOM 679 CA SER A 48 6.799 -10.200 6.110 1.00 0.00 C ATOM 680 C SER A 48 7.408 -11.586 6.297 1.00 0.00 C ATOM 681 O SER A 48 8.558 -11.825 5.928 1.00 0.00 O ATOM 682 CB SER A 48 6.122 -10.109 4.741 1.00 0.00 C ATOM 683 OG SER A 48 4.851 -10.735 4.758 1.00 0.00 O ATOM 0 H SER A 48 8.025 -8.665 5.376 1.00 0.00 H new ATOM 0 HA SER A 48 6.053 -10.042 6.889 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.012 -9.063 4.455 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.753 -10.581 3.988 1.00 0.00 H new ATOM 0 HG SER A 48 4.150 -10.055 4.670 1.00 0.00 H new ATOM 689 N GLN A 49 6.628 -12.495 6.873 1.00 0.00 N ATOM 690 CA GLN A 49 7.091 -13.857 7.111 1.00 0.00 C ATOM 691 C GLN A 49 7.018 -14.687 5.833 1.00 0.00 C ATOM 692 O GLN A 49 6.567 -15.832 5.850 1.00 0.00 O ATOM 693 CB GLN A 49 6.257 -14.518 8.210 1.00 0.00 C ATOM 694 CG GLN A 49 6.905 -15.758 8.803 1.00 0.00 C ATOM 695 CD GLN A 49 6.083 -16.367 9.922 1.00 0.00 C ATOM 696 OE1 GLN A 49 5.826 -15.725 10.940 1.00 0.00 O ATOM 697 NE2 GLN A 49 5.664 -17.614 9.738 1.00 0.00 N ATOM 0 H GLN A 49 5.673 -12.313 7.183 1.00 0.00 H new ATOM 0 HA GLN A 49 8.131 -13.809 7.434 1.00 0.00 H new ATOM 0 HB2 GLN A 49 6.081 -13.794 9.006 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.282 -14.787 7.803 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.048 -16.500 8.017 1.00 0.00 H new ATOM 0 HG3 GLN A 49 7.894 -15.501 9.182 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.900 -18.110 8.878 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.106 -18.076 10.456 1.00 0.00 H new ATOM 706 N ASN A 50 7.465 -14.102 4.727 1.00 0.00 N ATOM 707 CA ASN A 50 7.449 -14.787 3.439 1.00 0.00 C ATOM 708 C ASN A 50 8.866 -15.122 2.984 1.00 0.00 C ATOM 709 O ASN A 50 9.295 -16.275 3.050 1.00 0.00 O ATOM 710 CB ASN A 50 6.754 -13.922 2.386 1.00 0.00 C ATOM 711 CG ASN A 50 5.249 -14.112 2.383 1.00 0.00 C ATOM 712 OD1 ASN A 50 4.600 -14.026 3.426 1.00 0.00 O ATOM 713 ND2 ASN A 50 4.688 -14.371 1.208 1.00 0.00 N ATOM 0 H ASN A 50 7.843 -13.155 4.696 1.00 0.00 H new ATOM 0 HA ASN A 50 6.895 -15.718 3.557 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.985 -12.873 2.572 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.150 -14.166 1.400 1.00 0.00 H new ATOM 0 HD21 ASN A 50 3.679 -14.508 1.144 1.00 0.00 H new ATOM 0 HD22 ASN A 50 5.266 -14.433 0.370 1.00 0.00 H new ATOM 720 N LEU A 51 9.589 -14.107 2.524 1.00 0.00 N ATOM 721 CA LEU A 51 10.959 -14.293 2.058 1.00 0.00 C ATOM 722 C LEU A 51 11.605 -12.953 1.719 1.00 0.00 C ATOM 723 O LEU A 51 11.247 -12.312 0.732 1.00 0.00 O ATOM 724 CB LEU A 51 10.983 -15.208 0.833 1.00 0.00 C ATOM 725 CG LEU A 51 12.332 -15.842 0.494 1.00 0.00 C ATOM 726 CD1 LEU A 51 13.401 -14.771 0.339 1.00 0.00 C ATOM 727 CD2 LEU A 51 12.733 -16.847 1.564 1.00 0.00 C ATOM 0 H LEU A 51 9.250 -13.147 2.464 1.00 0.00 H new ATOM 0 HA LEU A 51 11.530 -14.758 2.862 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.257 -16.007 0.987 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.647 -14.634 -0.031 1.00 0.00 H new ATOM 0 HG LEU A 51 12.235 -16.370 -0.455 1.00 0.00 H new ATOM 0 HD11 LEU A 51 14.355 -15.241 0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 51 13.119 -14.089 -0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 51 13.496 -14.214 1.271 1.00 0.00 H new ATOM 0 HD21 LEU A 51 13.696 -17.288 1.306 1.00 0.00 H new ATOM 0 HD22 LEU A 51 12.812 -16.342 2.527 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.979 -17.632 1.627 1.00 0.00 H new ATOM 739 N GLY A 52 12.561 -12.537 2.544 1.00 0.00 N ATOM 740 CA GLY A 52 13.244 -11.278 2.313 1.00 0.00 C ATOM 741 C GLY A 52 12.332 -10.225 1.714 1.00 0.00 C ATOM 742 O GLY A 52 12.491 -9.842 0.554 1.00 0.00 O ATOM 0 H GLY A 52 12.875 -13.050 3.368 1.00 0.00 H new ATOM 0 HA2 GLY A 52 13.649 -10.910 3.255 1.00 0.00 H new ATOM 0 HA3 GLY A 52 14.090 -11.444 1.646 1.00 0.00 H new ATOM 746 N LYS A 53 11.372 -9.758 2.504 1.00 0.00 N ATOM 747 CA LYS A 53 10.429 -8.744 2.045 1.00 0.00 C ATOM 748 C LYS A 53 9.769 -8.041 3.227 1.00 0.00 C ATOM 749 O LYS A 53 9.671 -8.600 4.320 1.00 0.00 O ATOM 750 CB LYS A 53 9.360 -9.378 1.153 1.00 0.00 C ATOM 751 CG LYS A 53 8.330 -10.188 1.920 1.00 0.00 C ATOM 752 CD LYS A 53 7.224 -10.692 1.007 1.00 0.00 C ATOM 753 CE LYS A 53 7.762 -11.657 -0.038 1.00 0.00 C ATOM 754 NZ LYS A 53 6.665 -12.378 -0.743 1.00 0.00 N ATOM 0 H LYS A 53 11.226 -10.065 3.466 1.00 0.00 H new ATOM 0 HA LYS A 53 10.982 -8.004 1.467 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.850 -8.592 0.596 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.846 -10.023 0.421 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.818 -11.034 2.403 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.899 -9.574 2.711 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.457 -11.188 1.602 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.746 -9.847 0.512 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.362 -11.109 -0.764 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.423 -12.380 0.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.010 -13.304 -1.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.866 -12.515 -0.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.352 -11.819 -1.562 1.00 0.00 H new ATOM 768 N VAL A 54 9.315 -6.812 3.001 1.00 0.00 N ATOM 769 CA VAL A 54 8.661 -6.034 4.047 1.00 0.00 C ATOM 770 C VAL A 54 7.323 -5.482 3.566 1.00 0.00 C ATOM 771 O VAL A 54 7.174 -5.117 2.400 1.00 0.00 O ATOM 772 CB VAL A 54 9.548 -4.865 4.514 1.00 0.00 C ATOM 773 CG1 VAL A 54 8.896 -4.132 5.677 1.00 0.00 C ATOM 774 CG2 VAL A 54 10.931 -5.368 4.899 1.00 0.00 C ATOM 0 H VAL A 54 9.388 -6.334 2.103 1.00 0.00 H new ATOM 0 HA VAL A 54 8.492 -6.710 4.885 1.00 0.00 H new ATOM 0 HB VAL A 54 9.658 -4.162 3.688 1.00 0.00 H new ATOM 0 HG11 VAL A 54 9.537 -3.309 5.994 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.929 -3.739 5.363 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.754 -4.822 6.509 1.00 0.00 H new ATOM 0 HG21 VAL A 54 11.545 -4.529 5.227 1.00 0.00 H new ATOM 0 HG22 VAL A 54 10.842 -6.091 5.710 1.00 0.00 H new ATOM 0 HG23 VAL A 54 11.398 -5.844 4.037 1.00 0.00 H new ATOM 784 N ASP A 55 6.354 -5.424 4.472 1.00 0.00 N ATOM 785 CA ASP A 55 5.028 -4.915 4.141 1.00 0.00 C ATOM 786 C ASP A 55 4.825 -3.515 4.712 1.00 0.00 C ATOM 787 O ASP A 55 4.849 -3.320 5.927 1.00 0.00 O ATOM 788 CB ASP A 55 3.948 -5.858 4.675 1.00 0.00 C ATOM 789 CG ASP A 55 3.885 -7.162 3.904 1.00 0.00 C ATOM 790 OD1 ASP A 55 4.357 -7.191 2.748 1.00 0.00 O ATOM 791 OD2 ASP A 55 3.364 -8.153 4.457 1.00 0.00 O ATOM 0 H ASP A 55 6.461 -5.723 5.441 1.00 0.00 H new ATOM 0 HA ASP A 55 4.948 -4.861 3.055 1.00 0.00 H new ATOM 0 HB2 ASP A 55 4.142 -6.070 5.726 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.979 -5.362 4.624 1.00 0.00 H new ATOM 796 N ILE A 56 4.628 -2.544 3.826 1.00 0.00 N ATOM 797 CA ILE A 56 4.422 -1.162 4.242 1.00 0.00 C ATOM 798 C ILE A 56 2.952 -0.893 4.547 1.00 0.00 C ATOM 799 O ILE A 56 2.115 -0.866 3.645 1.00 0.00 O ATOM 800 CB ILE A 56 4.900 -0.172 3.164 1.00 0.00 C ATOM 801 CG1 ILE A 56 6.342 -0.483 2.759 1.00 0.00 C ATOM 802 CG2 ILE A 56 4.782 1.258 3.668 1.00 0.00 C ATOM 803 CD1 ILE A 56 7.330 -0.358 3.898 1.00 0.00 C ATOM 0 H ILE A 56 4.607 -2.689 2.817 1.00 0.00 H new ATOM 0 HA ILE A 56 5.012 -1.014 5.147 1.00 0.00 H new ATOM 0 HB ILE A 56 4.264 -0.280 2.285 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.388 -1.496 2.358 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.639 0.191 1.956 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.124 1.946 2.895 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.742 1.473 3.911 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.396 1.381 4.560 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.332 -0.593 3.538 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.313 0.661 4.284 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.058 -1.052 4.693 1.00 0.00 H new ATOM 815 N PHE A 57 2.646 -0.693 5.825 1.00 0.00 N ATOM 816 CA PHE A 57 1.277 -0.425 6.250 1.00 0.00 C ATOM 817 C PHE A 57 1.047 1.072 6.433 1.00 0.00 C ATOM 818 O PHE A 57 1.913 1.787 6.939 1.00 0.00 O ATOM 819 CB PHE A 57 0.972 -1.163 7.555 1.00 0.00 C ATOM 820 CG PHE A 57 0.969 -2.658 7.412 1.00 0.00 C ATOM 821 CD1 PHE A 57 2.155 -3.374 7.462 1.00 0.00 C ATOM 822 CD2 PHE A 57 -0.218 -3.348 7.227 1.00 0.00 C ATOM 823 CE1 PHE A 57 2.156 -4.750 7.331 1.00 0.00 C ATOM 824 CE2 PHE A 57 -0.223 -4.724 7.096 1.00 0.00 C ATOM 825 CZ PHE A 57 0.966 -5.426 7.147 1.00 0.00 C ATOM 0 H PHE A 57 3.327 -0.711 6.584 1.00 0.00 H new ATOM 0 HA PHE A 57 0.604 -0.785 5.471 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.711 -0.879 8.305 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.000 -0.840 7.927 1.00 0.00 H new ATOM 0 HD1 PHE A 57 3.089 -2.851 7.605 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.150 -2.804 7.185 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.087 -5.296 7.373 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.155 -5.250 6.954 1.00 0.00 H new ATOM 0 HZ PHE A 57 0.965 -6.501 7.043 1.00 0.00 H new ATOM 835 N VAL A 58 -0.125 1.540 6.018 1.00 0.00 N ATOM 836 CA VAL A 58 -0.470 2.952 6.136 1.00 0.00 C ATOM 837 C VAL A 58 -0.973 3.279 7.537 1.00 0.00 C ATOM 838 O VAL A 58 -2.106 2.955 7.894 1.00 0.00 O ATOM 839 CB VAL A 58 -1.545 3.355 5.109 1.00 0.00 C ATOM 840 CG1 VAL A 58 -1.947 4.810 5.300 1.00 0.00 C ATOM 841 CG2 VAL A 58 -1.046 3.113 3.693 1.00 0.00 C ATOM 0 H VAL A 58 -0.852 0.962 5.597 1.00 0.00 H new ATOM 0 HA VAL A 58 0.440 3.518 5.939 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.427 2.735 5.270 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.707 5.077 4.566 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.348 4.948 6.304 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.074 5.449 5.167 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.818 3.403 2.981 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.149 3.706 3.517 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.813 2.056 3.565 1.00 0.00 H new ATOM 851 N LYS A 59 -0.123 3.925 8.329 1.00 0.00 N ATOM 852 CA LYS A 59 -0.481 4.300 9.692 1.00 0.00 C ATOM 853 C LYS A 59 -0.507 5.816 9.851 1.00 0.00 C ATOM 854 O LYS A 59 0.227 6.534 9.171 1.00 0.00 O ATOM 855 CB LYS A 59 0.509 3.689 10.687 1.00 0.00 C ATOM 856 CG LYS A 59 0.444 2.173 10.757 1.00 0.00 C ATOM 857 CD LYS A 59 0.736 1.668 12.160 1.00 0.00 C ATOM 858 CE LYS A 59 0.920 0.158 12.181 1.00 0.00 C ATOM 859 NZ LYS A 59 1.812 -0.277 13.291 1.00 0.00 N ATOM 0 H LYS A 59 0.819 4.200 8.050 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.479 3.914 9.898 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.520 3.989 10.411 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.315 4.099 11.678 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.545 1.835 10.446 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.162 1.744 10.058 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.636 2.151 12.542 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.082 1.945 12.825 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.052 -0.325 12.286 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.338 -0.170 11.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.686 -0.679 12.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.046 0.541 13.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.327 -0.997 13.864 1.00 0.00 H new ATOM 873 N ASP A 60 -1.356 6.297 10.752 1.00 0.00 N ATOM 874 CA ASP A 60 -1.476 7.729 11.002 1.00 0.00 C ATOM 875 C ASP A 60 -2.117 8.436 9.812 1.00 0.00 C ATOM 876 O ASP A 60 -1.631 9.472 9.357 1.00 0.00 O ATOM 877 CB ASP A 60 -0.102 8.335 11.292 1.00 0.00 C ATOM 878 CG ASP A 60 -0.181 9.532 12.219 1.00 0.00 C ATOM 879 OD1 ASP A 60 -0.706 9.379 13.342 1.00 0.00 O ATOM 880 OD2 ASP A 60 0.284 10.621 11.823 1.00 0.00 O ATOM 0 H ASP A 60 -1.972 5.717 11.322 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.117 7.869 11.873 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.540 7.575 11.738 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.365 8.636 10.354 1.00 0.00 H new ATOM 885 N VAL A 61 -3.210 7.869 9.311 1.00 0.00 N ATOM 886 CA VAL A 61 -3.917 8.445 8.174 1.00 0.00 C ATOM 887 C VAL A 61 -4.649 9.722 8.571 1.00 0.00 C ATOM 888 O VAL A 61 -5.782 9.675 9.051 1.00 0.00 O ATOM 889 CB VAL A 61 -4.931 7.449 7.580 1.00 0.00 C ATOM 890 CG1 VAL A 61 -5.720 8.097 6.454 1.00 0.00 C ATOM 891 CG2 VAL A 61 -4.222 6.195 7.093 1.00 0.00 C ATOM 0 H VAL A 61 -3.625 7.011 9.675 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.165 8.680 7.420 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.633 7.161 8.363 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.431 7.378 6.047 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.259 8.963 6.839 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.036 8.416 5.667 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.953 5.502 6.676 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.497 6.462 6.325 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.707 5.720 7.928 1.00 0.00 H new ATOM 901 N GLN A 62 -3.995 10.861 8.368 1.00 0.00 N ATOM 902 CA GLN A 62 -4.584 12.151 8.706 1.00 0.00 C ATOM 903 C GLN A 62 -5.952 12.313 8.051 1.00 0.00 C ATOM 904 O GLN A 62 -6.092 12.264 6.829 1.00 0.00 O ATOM 905 CB GLN A 62 -3.659 13.288 8.269 1.00 0.00 C ATOM 906 CG GLN A 62 -2.379 13.378 9.084 1.00 0.00 C ATOM 907 CD GLN A 62 -1.667 14.705 8.909 1.00 0.00 C ATOM 908 OE1 GLN A 62 -0.889 14.886 7.972 1.00 0.00 O ATOM 909 NE2 GLN A 62 -1.932 15.642 9.812 1.00 0.00 N ATOM 0 H GLN A 62 -3.057 10.917 7.971 1.00 0.00 H new ATOM 0 HA GLN A 62 -4.712 12.191 9.788 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -3.402 13.153 7.218 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -4.197 14.233 8.347 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -2.613 13.232 10.138 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.709 12.569 8.792 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.584 15.448 10.572 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.484 16.556 9.745 1.00 0.00 H new ATOM 918 N PRO A 63 -6.987 12.509 8.882 1.00 0.00 N ATOM 919 CA PRO A 63 -8.362 12.682 8.406 1.00 0.00 C ATOM 920 C PRO A 63 -8.563 14.010 7.683 1.00 0.00 C ATOM 921 O PRO A 63 -9.549 14.198 6.973 1.00 0.00 O ATOM 922 CB PRO A 63 -9.191 12.643 9.692 1.00 0.00 C ATOM 923 CG PRO A 63 -8.250 13.079 10.762 1.00 0.00 C ATOM 924 CD PRO A 63 -6.893 12.579 10.350 1.00 0.00 C ATOM 0 HA PRO A 63 -8.640 11.918 7.680 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -10.053 13.307 9.628 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -9.574 11.641 9.886 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -8.251 14.164 10.864 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -8.541 12.667 11.729 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -6.101 13.256 10.670 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.675 11.604 10.786 1.00 0.00 H new ATOM 932 N GLY A 64 -7.620 14.929 7.870 1.00 0.00 N ATOM 933 CA GLY A 64 -7.713 16.228 7.229 1.00 0.00 C ATOM 934 C GLY A 64 -6.572 16.480 6.264 1.00 0.00 C ATOM 935 O GLY A 64 -6.043 17.589 6.194 1.00 0.00 O ATOM 0 H GLY A 64 -6.794 14.797 8.454 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.660 16.299 6.694 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.719 17.007 7.992 1.00 0.00 H new ATOM 939 N SER A 65 -6.191 15.448 5.518 1.00 0.00 N ATOM 940 CA SER A 65 -5.101 15.562 4.555 1.00 0.00 C ATOM 941 C SER A 65 -5.523 15.025 3.191 1.00 0.00 C ATOM 942 O SER A 65 -6.549 14.356 3.065 1.00 0.00 O ATOM 943 CB SER A 65 -3.869 14.805 5.055 1.00 0.00 C ATOM 944 OG SER A 65 -4.077 13.404 5.005 1.00 0.00 O ATOM 0 H SER A 65 -6.620 14.524 5.562 1.00 0.00 H new ATOM 0 HA SER A 65 -4.852 16.618 4.449 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.004 15.069 4.447 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.643 15.106 6.078 1.00 0.00 H new ATOM 0 HG SER A 65 -4.809 13.160 5.609 1.00 0.00 H new ATOM 950 N VAL A 66 -4.724 15.322 2.172 1.00 0.00 N ATOM 951 CA VAL A 66 -5.012 14.868 0.816 1.00 0.00 C ATOM 952 C VAL A 66 -5.399 13.394 0.801 1.00 0.00 C ATOM 953 O VAL A 66 -6.454 13.024 0.285 1.00 0.00 O ATOM 954 CB VAL A 66 -3.804 15.080 -0.115 1.00 0.00 C ATOM 955 CG1 VAL A 66 -2.550 14.467 0.488 1.00 0.00 C ATOM 956 CG2 VAL A 66 -4.085 14.496 -1.492 1.00 0.00 C ATOM 0 H VAL A 66 -3.872 15.875 2.259 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.849 15.464 0.454 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.637 16.151 -0.227 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.707 14.627 -0.184 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.341 14.937 1.449 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.701 13.397 0.632 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.221 14.654 -2.138 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.279 13.427 -1.401 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.956 14.988 -1.925 1.00 0.00 H new ATOM 1065 N LEU A 73 -8.617 6.852 1.813 1.00 0.00 N ATOM 1066 CA LEU A 73 -7.550 6.003 2.332 1.00 0.00 C ATOM 1067 C LEU A 73 -7.831 5.598 3.776 1.00 0.00 C ATOM 1068 O LEU A 73 -8.269 6.414 4.587 1.00 0.00 O ATOM 1069 CB LEU A 73 -6.206 6.728 2.246 1.00 0.00 C ATOM 1070 CG LEU A 73 -4.976 5.839 2.058 1.00 0.00 C ATOM 1071 CD1 LEU A 73 -3.860 6.611 1.371 1.00 0.00 C ATOM 1072 CD2 LEU A 73 -4.502 5.294 3.398 1.00 0.00 C ATOM 0 HA LEU A 73 -7.508 5.101 1.722 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.249 7.435 1.417 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.072 7.312 3.156 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.253 4.998 1.423 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.993 5.963 1.246 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.202 6.953 0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.584 7.472 1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.626 4.664 3.245 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.242 6.123 4.056 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.298 4.705 3.853 1.00 0.00 H new ATOM 1084 N LYS A 74 -7.573 4.333 4.091 1.00 0.00 N ATOM 1085 CA LYS A 74 -7.794 3.820 5.438 1.00 0.00 C ATOM 1086 C LYS A 74 -6.472 3.445 6.101 1.00 0.00 C ATOM 1087 O LYS A 74 -5.444 3.330 5.434 1.00 0.00 O ATOM 1088 CB LYS A 74 -8.719 2.601 5.395 1.00 0.00 C ATOM 1089 CG LYS A 74 -10.174 2.951 5.137 1.00 0.00 C ATOM 1090 CD LYS A 74 -10.366 3.552 3.754 1.00 0.00 C ATOM 1091 CE LYS A 74 -11.804 3.409 3.279 1.00 0.00 C ATOM 1092 NZ LYS A 74 -12.023 4.075 1.965 1.00 0.00 N ATOM 0 H LYS A 74 -7.211 3.644 3.432 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.265 4.606 6.027 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.374 1.921 4.616 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.645 2.066 6.342 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.787 2.055 5.234 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.519 3.657 5.893 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.091 4.607 3.773 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.698 3.061 3.047 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.056 2.352 3.197 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.476 3.840 4.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.015 3.955 1.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.807 5.089 2.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.400 3.647 1.251 1.00 0.00 H new ATOM 1106 N GLU A 75 -6.508 3.254 7.416 1.00 0.00 N ATOM 1107 CA GLU A 75 -5.312 2.892 8.167 1.00 0.00 C ATOM 1108 C GLU A 75 -5.053 1.390 8.086 1.00 0.00 C ATOM 1109 O GLU A 75 -5.952 0.611 7.774 1.00 0.00 O ATOM 1110 CB GLU A 75 -5.453 3.318 9.630 1.00 0.00 C ATOM 1111 CG GLU A 75 -4.130 3.652 10.297 1.00 0.00 C ATOM 1112 CD GLU A 75 -4.271 3.886 11.789 1.00 0.00 C ATOM 1113 OE1 GLU A 75 -4.946 3.073 12.454 1.00 0.00 O ATOM 1114 OE2 GLU A 75 -3.706 4.880 12.290 1.00 0.00 O ATOM 0 H GLU A 75 -7.351 3.344 7.983 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.464 3.414 7.724 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.108 4.188 9.685 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.939 2.517 10.187 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.425 2.838 10.126 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.708 4.543 9.832 1.00 0.00 H new ATOM 1121 N ASN A 76 -3.817 0.992 8.370 1.00 0.00 N ATOM 1122 CA ASN A 76 -3.439 -0.415 8.328 1.00 0.00 C ATOM 1123 C ASN A 76 -3.560 -0.970 6.912 1.00 0.00 C ATOM 1124 O ASN A 76 -3.751 -2.171 6.719 1.00 0.00 O ATOM 1125 CB ASN A 76 -4.314 -1.229 9.284 1.00 0.00 C ATOM 1126 CG ASN A 76 -3.721 -1.318 10.677 1.00 0.00 C ATOM 1127 OD1 ASN A 76 -3.404 -2.405 11.160 1.00 0.00 O ATOM 1128 ND2 ASN A 76 -3.570 -0.172 11.330 1.00 0.00 N ATOM 0 H ASN A 76 -3.061 1.624 8.632 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.398 -0.495 8.642 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -5.303 -0.775 9.342 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -4.447 -2.234 8.884 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -3.177 -0.169 12.271 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -3.847 0.706 10.890 1.00 0.00 H new ATOM 1135 N ASP A 77 -3.449 -0.087 5.926 1.00 0.00 N ATOM 1136 CA ASP A 77 -3.545 -0.488 4.527 1.00 0.00 C ATOM 1137 C ASP A 77 -2.193 -0.963 4.004 1.00 0.00 C ATOM 1138 O ASP A 77 -1.332 -0.154 3.657 1.00 0.00 O ATOM 1139 CB ASP A 77 -4.055 0.675 3.675 1.00 0.00 C ATOM 1140 CG ASP A 77 -5.556 0.858 3.784 1.00 0.00 C ATOM 1141 OD1 ASP A 77 -6.233 -0.068 4.278 1.00 0.00 O ATOM 1142 OD2 ASP A 77 -6.054 1.928 3.376 1.00 0.00 O ATOM 0 H ASP A 77 -3.293 0.911 6.069 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.252 -1.315 4.459 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.557 1.594 3.984 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -3.788 0.502 2.632 1.00 0.00 H new ATOM 1147 N GLN A 78 -2.014 -2.279 3.951 1.00 0.00 N ATOM 1148 CA GLN A 78 -0.765 -2.861 3.472 1.00 0.00 C ATOM 1149 C GLN A 78 -0.536 -2.524 2.003 1.00 0.00 C ATOM 1150 O GLN A 78 -1.112 -3.153 1.115 1.00 0.00 O ATOM 1151 CB GLN A 78 -0.779 -4.378 3.663 1.00 0.00 C ATOM 1152 CG GLN A 78 0.604 -5.007 3.639 1.00 0.00 C ATOM 1153 CD GLN A 78 0.590 -6.429 3.114 1.00 0.00 C ATOM 1154 OE1 GLN A 78 -0.289 -7.221 3.456 1.00 0.00 O ATOM 1155 NE2 GLN A 78 1.566 -6.761 2.277 1.00 0.00 N ATOM 0 H GLN A 78 -2.717 -2.962 4.233 1.00 0.00 H new ATOM 0 HA GLN A 78 0.052 -2.436 4.055 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -1.259 -4.612 4.613 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.388 -4.829 2.879 1.00 0.00 H new ATOM 0 HG2 GLN A 78 1.264 -4.401 3.018 1.00 0.00 H new ATOM 0 HG3 GLN A 78 1.020 -5.000 4.647 1.00 0.00 H new ATOM 0 HE21 GLN A 78 2.274 -6.073 2.020 1.00 0.00 H new ATOM 0 HE22 GLN A 78 1.608 -7.704 1.891 1.00 0.00 H new ATOM 1164 N ILE A 79 0.308 -1.528 1.754 1.00 0.00 N ATOM 1165 CA ILE A 79 0.613 -1.108 0.392 1.00 0.00 C ATOM 1166 C ILE A 79 1.355 -2.203 -0.367 1.00 0.00 C ATOM 1167 O ILE A 79 2.553 -2.410 -0.167 1.00 0.00 O ATOM 1168 CB ILE A 79 1.461 0.177 0.376 1.00 0.00 C ATOM 1169 CG1 ILE A 79 0.708 1.320 1.061 1.00 0.00 C ATOM 1170 CG2 ILE A 79 1.822 0.556 -1.053 1.00 0.00 C ATOM 1171 CD1 ILE A 79 1.434 2.645 0.997 1.00 0.00 C ATOM 0 H ILE A 79 0.793 -0.997 2.478 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.340 -0.911 -0.099 1.00 0.00 H new ATOM 0 HB ILE A 79 2.383 -0.008 0.927 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.272 1.429 0.596 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.538 1.058 2.105 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.421 1.466 -1.048 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.393 -0.252 -1.510 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.910 0.725 -1.626 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.843 3.409 1.502 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.403 2.553 1.488 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.580 2.930 -0.045 1.00 0.00 H new ATOM 1183 N LEU A 80 0.637 -2.900 -1.241 1.00 0.00 N ATOM 1184 CA LEU A 80 1.227 -3.973 -2.033 1.00 0.00 C ATOM 1185 C LEU A 80 2.151 -3.411 -3.109 1.00 0.00 C ATOM 1186 O LEU A 80 3.245 -3.928 -3.333 1.00 0.00 O ATOM 1187 CB LEU A 80 0.129 -4.820 -2.679 1.00 0.00 C ATOM 1188 CG LEU A 80 -0.896 -5.432 -1.724 1.00 0.00 C ATOM 1189 CD1 LEU A 80 -1.947 -6.214 -2.498 1.00 0.00 C ATOM 1190 CD2 LEU A 80 -0.207 -6.327 -0.704 1.00 0.00 C ATOM 0 H LEU A 80 -0.355 -2.741 -1.419 1.00 0.00 H new ATOM 0 HA LEU A 80 1.817 -4.601 -1.366 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.402 -4.200 -3.402 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.602 -5.627 -3.238 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.395 -4.623 -1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.668 -6.642 -1.802 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.462 -5.546 -3.189 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.465 -7.015 -3.059 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.952 -6.754 -0.033 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.318 -7.130 -1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.507 -5.739 -0.127 1.00 0.00 H new ATOM 1202 N ALA A 81 1.703 -2.349 -3.770 1.00 0.00 N ATOM 1203 CA ALA A 81 2.492 -1.714 -4.819 1.00 0.00 C ATOM 1204 C ALA A 81 2.446 -0.195 -4.697 1.00 0.00 C ATOM 1205 O ALA A 81 1.481 0.366 -4.176 1.00 0.00 O ATOM 1206 CB ALA A 81 1.996 -2.151 -6.189 1.00 0.00 C ATOM 0 H ALA A 81 0.798 -1.910 -3.598 1.00 0.00 H new ATOM 0 HA ALA A 81 3.529 -2.030 -4.702 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.594 -1.670 -6.963 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.087 -3.233 -6.281 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.951 -1.864 -6.306 1.00 0.00 H new ATOM 1212 N ILE A 82 3.493 0.465 -5.179 1.00 0.00 N ATOM 1213 CA ILE A 82 3.571 1.919 -5.124 1.00 0.00 C ATOM 1214 C ILE A 82 3.980 2.500 -6.474 1.00 0.00 C ATOM 1215 O ILE A 82 5.126 2.362 -6.898 1.00 0.00 O ATOM 1216 CB ILE A 82 4.572 2.389 -4.052 1.00 0.00 C ATOM 1217 CG1 ILE A 82 4.176 1.842 -2.679 1.00 0.00 C ATOM 1218 CG2 ILE A 82 4.642 3.908 -4.022 1.00 0.00 C ATOM 1219 CD1 ILE A 82 5.144 2.214 -1.578 1.00 0.00 C ATOM 0 H ILE A 82 4.300 0.016 -5.612 1.00 0.00 H new ATOM 0 HA ILE A 82 2.575 2.278 -4.863 1.00 0.00 H new ATOM 0 HB ILE A 82 5.560 2.004 -4.305 1.00 0.00 H new ATOM 0 HG12 ILE A 82 3.184 2.214 -2.421 1.00 0.00 H new ATOM 0 HG13 ILE A 82 4.104 0.756 -2.737 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.354 4.224 -3.259 1.00 0.00 H new ATOM 0 HG22 ILE A 82 4.965 4.277 -4.995 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.657 4.313 -3.790 1.00 0.00 H new ATOM 0 HD11 ILE A 82 4.800 1.793 -0.633 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.132 1.819 -1.813 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.198 3.299 -1.493 1.00 0.00 H new ATOM 1231 N ASN A 83 3.034 3.151 -7.143 1.00 0.00 N ATOM 1232 CA ASN A 83 3.296 3.754 -8.444 1.00 0.00 C ATOM 1233 C ASN A 83 3.587 2.683 -9.491 1.00 0.00 C ATOM 1234 O ASN A 83 4.559 2.780 -10.240 1.00 0.00 O ATOM 1235 CB ASN A 83 4.473 4.726 -8.351 1.00 0.00 C ATOM 1236 CG ASN A 83 4.267 5.785 -7.285 1.00 0.00 C ATOM 1237 OD1 ASN A 83 3.200 6.392 -7.196 1.00 0.00 O ATOM 1238 ND2 ASN A 83 5.290 6.010 -6.469 1.00 0.00 N ATOM 0 H ASN A 83 2.079 3.274 -6.805 1.00 0.00 H new ATOM 0 HA ASN A 83 2.405 4.302 -8.749 1.00 0.00 H new ATOM 0 HB2 ASN A 83 5.384 4.169 -8.134 1.00 0.00 H new ATOM 0 HB3 ASN A 83 4.618 5.210 -9.317 1.00 0.00 H new ATOM 0 HD21 ASN A 83 5.210 6.710 -5.731 1.00 0.00 H new ATOM 0 HD22 ASN A 83 6.156 5.483 -6.580 1.00 0.00 H new ATOM 1245 N HIS A 84 2.737 1.662 -9.538 1.00 0.00 N ATOM 1246 CA HIS A 84 2.902 0.573 -10.494 1.00 0.00 C ATOM 1247 C HIS A 84 4.179 -0.212 -10.208 1.00 0.00 C ATOM 1248 O HIS A 84 5.007 -0.417 -11.096 1.00 0.00 O ATOM 1249 CB HIS A 84 2.935 1.120 -11.921 1.00 0.00 C ATOM 1250 CG HIS A 84 2.774 0.064 -12.971 1.00 0.00 C ATOM 1251 ND1 HIS A 84 3.794 -0.318 -13.818 1.00 0.00 N ATOM 1252 CD2 HIS A 84 1.704 -0.693 -13.308 1.00 0.00 C ATOM 1253 CE1 HIS A 84 3.357 -1.263 -14.631 1.00 0.00 C ATOM 1254 NE2 HIS A 84 2.092 -1.509 -14.342 1.00 0.00 N ATOM 0 H HIS A 84 1.927 1.566 -8.925 1.00 0.00 H new ATOM 0 HA HIS A 84 2.051 -0.101 -10.391 1.00 0.00 H new ATOM 0 HB2 HIS A 84 2.142 1.859 -12.036 1.00 0.00 H new ATOM 0 HB3 HIS A 84 3.880 1.639 -12.081 1.00 0.00 H new ATOM 0 HD2 HIS A 84 0.727 -0.661 -12.849 1.00 0.00 H new ATOM 0 HE1 HIS A 84 3.936 -1.751 -15.401 1.00 0.00 H new ATOM 0 HE2 HIS A 84 1.499 -2.194 -14.811 1.00 0.00 H new ATOM 1263 N THR A 85 4.332 -0.649 -8.962 1.00 0.00 N ATOM 1264 CA THR A 85 5.508 -1.410 -8.558 1.00 0.00 C ATOM 1265 C THR A 85 5.283 -2.100 -7.217 1.00 0.00 C ATOM 1266 O THR A 85 5.189 -1.459 -6.170 1.00 0.00 O ATOM 1267 CB THR A 85 6.753 -0.508 -8.456 1.00 0.00 C ATOM 1268 OG1 THR A 85 7.087 0.014 -9.747 1.00 0.00 O ATOM 1269 CG2 THR A 85 7.936 -1.281 -7.894 1.00 0.00 C ATOM 0 H THR A 85 3.656 -0.489 -8.215 1.00 0.00 H new ATOM 0 HA THR A 85 5.676 -2.164 -9.327 1.00 0.00 H new ATOM 0 HB THR A 85 6.524 0.316 -7.780 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.504 -0.389 -10.424 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.803 -0.624 -7.831 1.00 0.00 H new ATOM 0 HG22 THR A 85 7.689 -1.652 -6.899 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.165 -2.122 -8.548 1.00 0.00 H new ATOM 1277 N PRO A 86 5.196 -3.438 -7.247 1.00 0.00 N ATOM 1278 CA PRO A 86 4.982 -4.244 -6.042 1.00 0.00 C ATOM 1279 C PRO A 86 6.199 -4.246 -5.122 1.00 0.00 C ATOM 1280 O PRO A 86 7.340 -4.277 -5.585 1.00 0.00 O ATOM 1281 CB PRO A 86 4.728 -5.648 -6.595 1.00 0.00 C ATOM 1282 CG PRO A 86 5.413 -5.665 -7.917 1.00 0.00 C ATOM 1283 CD PRO A 86 5.300 -4.267 -8.460 1.00 0.00 C ATOM 0 HA PRO A 86 4.166 -3.857 -5.432 1.00 0.00 H new ATOM 0 HB2 PRO A 86 5.130 -6.413 -5.931 1.00 0.00 H new ATOM 0 HB3 PRO A 86 3.661 -5.845 -6.700 1.00 0.00 H new ATOM 0 HG2 PRO A 86 6.457 -5.960 -7.812 1.00 0.00 H new ATOM 0 HG3 PRO A 86 4.945 -6.384 -8.590 1.00 0.00 H new ATOM 0 HD2 PRO A 86 6.170 -3.997 -9.058 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.425 -4.154 -9.100 1.00 0.00 H new ATOM 1291 N LEU A 87 5.949 -4.214 -3.818 1.00 0.00 N ATOM 1292 CA LEU A 87 7.025 -4.212 -2.833 1.00 0.00 C ATOM 1293 C LEU A 87 7.444 -5.636 -2.482 1.00 0.00 C ATOM 1294 O LEU A 87 7.807 -5.924 -1.341 1.00 0.00 O ATOM 1295 CB LEU A 87 6.584 -3.472 -1.569 1.00 0.00 C ATOM 1296 CG LEU A 87 5.913 -2.115 -1.785 1.00 0.00 C ATOM 1297 CD1 LEU A 87 5.484 -1.514 -0.456 1.00 0.00 C ATOM 1298 CD2 LEU A 87 6.849 -1.169 -2.523 1.00 0.00 C ATOM 0 H LEU A 87 5.011 -4.189 -3.418 1.00 0.00 H new ATOM 0 HA LEU A 87 7.882 -3.697 -3.268 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.894 -4.112 -1.019 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.458 -3.326 -0.934 1.00 0.00 H new ATOM 0 HG LEU A 87 5.023 -2.264 -2.397 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.009 -0.549 -0.630 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.778 -2.183 0.035 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.358 -1.379 0.181 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.355 -0.208 -2.668 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.757 -1.025 -1.937 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.106 -1.595 -3.493 1.00 0.00 H new ATOM 1310 N ASP A 88 7.392 -6.523 -3.470 1.00 0.00 N ATOM 1311 CA ASP A 88 7.770 -7.917 -3.267 1.00 0.00 C ATOM 1312 C ASP A 88 9.204 -8.023 -2.757 1.00 0.00 C ATOM 1313 O ASP A 88 9.886 -7.014 -2.582 1.00 0.00 O ATOM 1314 CB ASP A 88 7.619 -8.703 -4.570 1.00 0.00 C ATOM 1315 CG ASP A 88 8.547 -8.202 -5.659 1.00 0.00 C ATOM 1316 OD1 ASP A 88 8.556 -6.979 -5.914 1.00 0.00 O ATOM 1317 OD2 ASP A 88 9.264 -9.032 -6.256 1.00 0.00 O ATOM 0 H ASP A 88 7.092 -6.301 -4.419 1.00 0.00 H new ATOM 0 HA ASP A 88 7.105 -8.343 -2.516 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.822 -9.757 -4.381 1.00 0.00 H new ATOM 0 HB3 ASP A 88 6.587 -8.634 -4.915 1.00 0.00 H new ATOM 1322 N GLN A 89 9.653 -9.251 -2.519 1.00 0.00 N ATOM 1323 CA GLN A 89 11.005 -9.488 -2.027 1.00 0.00 C ATOM 1324 C GLN A 89 12.009 -8.589 -2.741 1.00 0.00 C ATOM 1325 O GLN A 89 12.900 -8.018 -2.114 1.00 0.00 O ATOM 1326 CB GLN A 89 11.390 -10.956 -2.219 1.00 0.00 C ATOM 1327 CG GLN A 89 11.844 -11.286 -3.632 1.00 0.00 C ATOM 1328 CD GLN A 89 12.276 -12.731 -3.784 1.00 0.00 C ATOM 1329 OE1 GLN A 89 11.607 -13.645 -3.299 1.00 0.00 O ATOM 1330 NE2 GLN A 89 13.399 -12.946 -4.459 1.00 0.00 N ATOM 0 H GLN A 89 9.101 -10.097 -2.659 1.00 0.00 H new ATOM 0 HA GLN A 89 11.025 -9.251 -0.963 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.189 -11.208 -1.521 1.00 0.00 H new ATOM 0 HB3 GLN A 89 10.536 -11.583 -1.965 1.00 0.00 H new ATOM 0 HG2 GLN A 89 11.031 -11.079 -4.328 1.00 0.00 H new ATOM 0 HG3 GLN A 89 12.672 -10.632 -3.905 1.00 0.00 H new ATOM 0 HE21 GLN A 89 13.921 -12.159 -4.844 1.00 0.00 H new ATOM 0 HE22 GLN A 89 13.739 -13.898 -4.593 1.00 0.00 H new ATOM 1339 N ASN A 90 11.857 -8.468 -4.056 1.00 0.00 N ATOM 1340 CA ASN A 90 12.752 -7.639 -4.855 1.00 0.00 C ATOM 1341 C ASN A 90 13.013 -6.301 -4.169 1.00 0.00 C ATOM 1342 O ASN A 90 14.161 -5.887 -4.010 1.00 0.00 O ATOM 1343 CB ASN A 90 12.157 -7.404 -6.245 1.00 0.00 C ATOM 1344 CG ASN A 90 12.279 -8.622 -7.140 1.00 0.00 C ATOM 1345 OD1 ASN A 90 12.349 -9.754 -6.660 1.00 0.00 O ATOM 1346 ND2 ASN A 90 12.305 -8.395 -8.448 1.00 0.00 N ATOM 0 H ASN A 90 11.123 -8.933 -4.590 1.00 0.00 H new ATOM 0 HA ASN A 90 13.701 -8.166 -4.957 1.00 0.00 H new ATOM 0 HB2 ASN A 90 11.106 -7.133 -6.146 1.00 0.00 H new ATOM 0 HB3 ASN A 90 12.661 -6.559 -6.715 1.00 0.00 H new ATOM 0 HD21 ASN A 90 12.386 -9.176 -9.100 1.00 0.00 H new ATOM 0 HD22 ASN A 90 12.244 -7.440 -8.801 1.00 0.00 H new ATOM 1353 N ILE A 91 11.939 -5.631 -3.764 1.00 0.00 N ATOM 1354 CA ILE A 91 12.052 -4.342 -3.093 1.00 0.00 C ATOM 1355 C ILE A 91 11.866 -4.489 -1.586 1.00 0.00 C ATOM 1356 O ILE A 91 11.038 -5.274 -1.126 1.00 0.00 O ATOM 1357 CB ILE A 91 11.018 -3.335 -3.630 1.00 0.00 C ATOM 1358 CG1 ILE A 91 11.583 -2.587 -4.839 1.00 0.00 C ATOM 1359 CG2 ILE A 91 10.613 -2.358 -2.537 1.00 0.00 C ATOM 1360 CD1 ILE A 91 10.658 -1.517 -5.374 1.00 0.00 C ATOM 0 H ILE A 91 10.981 -5.959 -3.889 1.00 0.00 H new ATOM 0 HA ILE A 91 13.054 -3.966 -3.299 1.00 0.00 H new ATOM 0 HB ILE A 91 10.130 -3.882 -3.948 1.00 0.00 H new ATOM 0 HG12 ILE A 91 12.533 -2.129 -4.562 1.00 0.00 H new ATOM 0 HG13 ILE A 91 11.794 -3.303 -5.633 1.00 0.00 H new ATOM 0 HG21 ILE A 91 9.882 -1.653 -2.932 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.175 -2.906 -1.703 1.00 0.00 H new ATOM 0 HG23 ILE A 91 11.492 -1.814 -2.191 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.123 -1.028 -6.230 1.00 0.00 H new ATOM 0 HD12 ILE A 91 9.717 -1.971 -5.683 1.00 0.00 H new ATOM 0 HD13 ILE A 91 10.466 -0.779 -4.595 1.00 0.00 H new ATOM 1372 N SER A 92 12.643 -3.726 -0.823 1.00 0.00 N ATOM 1373 CA SER A 92 12.566 -3.772 0.632 1.00 0.00 C ATOM 1374 C SER A 92 11.680 -2.649 1.165 1.00 0.00 C ATOM 1375 O SER A 92 11.153 -1.842 0.399 1.00 0.00 O ATOM 1376 CB SER A 92 13.965 -3.665 1.242 1.00 0.00 C ATOM 1377 OG SER A 92 14.674 -4.885 1.108 1.00 0.00 O ATOM 0 H SER A 92 13.332 -3.069 -1.189 1.00 0.00 H new ATOM 0 HA SER A 92 12.125 -4.727 0.917 1.00 0.00 H new ATOM 0 HB2 SER A 92 14.518 -2.863 0.753 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.886 -3.400 2.296 1.00 0.00 H new ATOM 0 HG SER A 92 15.565 -4.790 1.504 1.00 0.00 H new ATOM 1383 N HIS A 93 11.521 -2.605 2.484 1.00 0.00 N ATOM 1384 CA HIS A 93 10.699 -1.582 3.121 1.00 0.00 C ATOM 1385 C HIS A 93 11.225 -0.186 2.800 1.00 0.00 C ATOM 1386 O HIS A 93 10.449 0.736 2.549 1.00 0.00 O ATOM 1387 CB HIS A 93 10.669 -1.792 4.635 1.00 0.00 C ATOM 1388 CG HIS A 93 11.750 -1.056 5.364 1.00 0.00 C ATOM 1389 ND1 HIS A 93 12.907 -1.662 5.807 1.00 0.00 N ATOM 1390 CD2 HIS A 93 11.846 0.245 5.726 1.00 0.00 C ATOM 1391 CE1 HIS A 93 13.667 -0.766 6.411 1.00 0.00 C ATOM 1392 NE2 HIS A 93 13.046 0.399 6.375 1.00 0.00 N ATOM 0 H HIS A 93 11.950 -3.265 3.132 1.00 0.00 H new ATOM 0 HA HIS A 93 9.685 -1.669 2.729 1.00 0.00 H new ATOM 0 HB2 HIS A 93 9.700 -1.471 5.019 1.00 0.00 H new ATOM 0 HB3 HIS A 93 10.759 -2.857 4.847 1.00 0.00 H new ATOM 0 HD2 HIS A 93 11.115 1.018 5.539 1.00 0.00 H new ATOM 0 HE1 HIS A 93 14.632 -0.954 6.858 1.00 0.00 H new ATOM 0 HE2 HIS A 93 13.400 1.272 6.766 1.00 0.00 H new ATOM 1401 N GLN A 94 12.546 -0.039 2.811 1.00 0.00 N ATOM 1402 CA GLN A 94 13.173 1.245 2.523 1.00 0.00 C ATOM 1403 C GLN A 94 12.750 1.762 1.152 1.00 0.00 C ATOM 1404 O GLN A 94 12.056 2.773 1.047 1.00 0.00 O ATOM 1405 CB GLN A 94 14.696 1.118 2.585 1.00 0.00 C ATOM 1406 CG GLN A 94 15.213 0.650 3.936 1.00 0.00 C ATOM 1407 CD GLN A 94 16.721 0.751 4.051 1.00 0.00 C ATOM 1408 OE1 GLN A 94 17.410 1.064 3.079 1.00 0.00 O ATOM 1409 NE2 GLN A 94 17.244 0.486 5.242 1.00 0.00 N ATOM 0 H GLN A 94 13.202 -0.793 3.016 1.00 0.00 H new ATOM 0 HA GLN A 94 12.844 1.959 3.278 1.00 0.00 H new ATOM 0 HB2 GLN A 94 15.025 0.418 1.817 1.00 0.00 H new ATOM 0 HB3 GLN A 94 15.143 2.084 2.349 1.00 0.00 H new ATOM 0 HG2 GLN A 94 14.752 1.246 4.723 1.00 0.00 H new ATOM 0 HG3 GLN A 94 14.909 -0.384 4.099 1.00 0.00 H new ATOM 0 HE21 GLN A 94 16.636 0.231 6.020 1.00 0.00 H new ATOM 0 HE22 GLN A 94 18.253 0.538 5.379 1.00 0.00 H new ATOM 1418 N GLN A 95 13.174 1.062 0.104 1.00 0.00 N ATOM 1419 CA GLN A 95 12.839 1.452 -1.260 1.00 0.00 C ATOM 1420 C GLN A 95 11.395 1.934 -1.350 1.00 0.00 C ATOM 1421 O GLN A 95 11.115 2.981 -1.933 1.00 0.00 O ATOM 1422 CB GLN A 95 13.057 0.278 -2.217 1.00 0.00 C ATOM 1423 CG GLN A 95 14.453 0.234 -2.816 1.00 0.00 C ATOM 1424 CD GLN A 95 14.604 1.153 -4.012 1.00 0.00 C ATOM 1425 OE1 GLN A 95 13.822 2.087 -4.195 1.00 0.00 O ATOM 1426 NE2 GLN A 95 15.613 0.894 -4.835 1.00 0.00 N ATOM 0 H GLN A 95 13.750 0.223 0.174 1.00 0.00 H new ATOM 0 HA GLN A 95 13.496 2.273 -1.547 1.00 0.00 H new ATOM 0 HB2 GLN A 95 12.870 -0.654 -1.684 1.00 0.00 H new ATOM 0 HB3 GLN A 95 12.326 0.337 -3.023 1.00 0.00 H new ATOM 0 HG2 GLN A 95 15.180 0.514 -2.054 1.00 0.00 H new ATOM 0 HG3 GLN A 95 14.683 -0.788 -3.117 1.00 0.00 H new ATOM 0 HE21 GLN A 95 16.237 0.110 -4.646 1.00 0.00 H new ATOM 0 HE22 GLN A 95 15.764 1.479 -5.657 1.00 0.00 H new ATOM 1435 N ALA A 96 10.481 1.164 -0.768 1.00 0.00 N ATOM 1436 CA ALA A 96 9.066 1.514 -0.781 1.00 0.00 C ATOM 1437 C ALA A 96 8.855 2.963 -0.356 1.00 0.00 C ATOM 1438 O ALA A 96 8.199 3.735 -1.056 1.00 0.00 O ATOM 1439 CB ALA A 96 8.283 0.576 0.126 1.00 0.00 C ATOM 0 H ALA A 96 10.696 0.294 -0.282 1.00 0.00 H new ATOM 0 HA ALA A 96 8.699 1.406 -1.802 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.228 0.848 0.107 1.00 0.00 H new ATOM 0 HB2 ALA A 96 8.399 -0.450 -0.224 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.660 0.657 1.145 1.00 0.00 H new ATOM 1445 N ILE A 97 9.414 3.325 0.793 1.00 0.00 N ATOM 1446 CA ILE A 97 9.287 4.682 1.310 1.00 0.00 C ATOM 1447 C ILE A 97 9.808 5.704 0.305 1.00 0.00 C ATOM 1448 O ILE A 97 9.220 6.770 0.127 1.00 0.00 O ATOM 1449 CB ILE A 97 10.047 4.852 2.639 1.00 0.00 C ATOM 1450 CG1 ILE A 97 9.663 3.740 3.617 1.00 0.00 C ATOM 1451 CG2 ILE A 97 9.758 6.218 3.243 1.00 0.00 C ATOM 1452 CD1 ILE A 97 10.308 3.883 4.978 1.00 0.00 C ATOM 0 H ILE A 97 9.959 2.698 1.384 1.00 0.00 H new ATOM 0 HA ILE A 97 8.225 4.855 1.484 1.00 0.00 H new ATOM 0 HB ILE A 97 11.116 4.783 2.440 1.00 0.00 H new ATOM 0 HG12 ILE A 97 8.580 3.730 3.737 1.00 0.00 H new ATOM 0 HG13 ILE A 97 9.945 2.778 3.189 1.00 0.00 H new ATOM 0 HG21 ILE A 97 10.302 6.323 4.182 1.00 0.00 H new ATOM 0 HG22 ILE A 97 10.076 6.997 2.550 1.00 0.00 H new ATOM 0 HG23 ILE A 97 8.689 6.314 3.431 1.00 0.00 H new ATOM 0 HD11 ILE A 97 9.991 3.060 5.619 1.00 0.00 H new ATOM 0 HD12 ILE A 97 11.393 3.862 4.871 1.00 0.00 H new ATOM 0 HD13 ILE A 97 10.006 4.830 5.426 1.00 0.00 H new ATOM 1464 N ALA A 98 10.914 5.370 -0.351 1.00 0.00 N ATOM 1465 CA ALA A 98 11.513 6.256 -1.341 1.00 0.00 C ATOM 1466 C ALA A 98 10.507 6.626 -2.427 1.00 0.00 C ATOM 1467 O ALA A 98 10.130 7.790 -2.568 1.00 0.00 O ATOM 1468 CB ALA A 98 12.742 5.606 -1.958 1.00 0.00 C ATOM 0 H ALA A 98 11.414 4.491 -0.215 1.00 0.00 H new ATOM 0 HA ALA A 98 11.816 7.172 -0.835 1.00 0.00 H new ATOM 0 HB1 ALA A 98 13.178 6.280 -2.695 1.00 0.00 H new ATOM 0 HB2 ALA A 98 13.474 5.399 -1.178 1.00 0.00 H new ATOM 0 HB3 ALA A 98 12.455 4.673 -2.444 1.00 0.00 H new ATOM 1474 N LEU A 99 10.076 5.628 -3.191 1.00 0.00 N ATOM 1475 CA LEU A 99 9.114 5.849 -4.265 1.00 0.00 C ATOM 1476 C LEU A 99 8.117 6.940 -3.888 1.00 0.00 C ATOM 1477 O LEU A 99 7.657 7.698 -4.744 1.00 0.00 O ATOM 1478 CB LEU A 99 8.369 4.551 -4.583 1.00 0.00 C ATOM 1479 CG LEU A 99 9.242 3.323 -4.847 1.00 0.00 C ATOM 1480 CD1 LEU A 99 8.383 2.075 -4.978 1.00 0.00 C ATOM 1481 CD2 LEU A 99 10.084 3.527 -6.098 1.00 0.00 C ATOM 0 H LEU A 99 10.377 4.659 -3.087 1.00 0.00 H new ATOM 0 HA LEU A 99 9.662 6.173 -5.149 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.702 4.325 -3.751 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.742 4.721 -5.458 1.00 0.00 H new ATOM 0 HG LEU A 99 9.913 3.189 -3.999 1.00 0.00 H new ATOM 0 HD11 LEU A 99 9.022 1.212 -5.166 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.824 1.919 -4.055 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.687 2.198 -5.807 1.00 0.00 H new ATOM 0 HD21 LEU A 99 10.699 2.644 -6.271 1.00 0.00 H new ATOM 0 HD22 LEU A 99 9.430 3.687 -6.955 1.00 0.00 H new ATOM 0 HD23 LEU A 99 10.727 4.397 -5.966 1.00 0.00 H new ATOM 1493 N LEU A 100 7.790 7.017 -2.603 1.00 0.00 N ATOM 1494 CA LEU A 100 6.850 8.018 -2.112 1.00 0.00 C ATOM 1495 C LEU A 100 7.505 9.395 -2.046 1.00 0.00 C ATOM 1496 O LEU A 100 6.983 10.366 -2.592 1.00 0.00 O ATOM 1497 CB LEU A 100 6.329 7.623 -0.729 1.00 0.00 C ATOM 1498 CG LEU A 100 5.785 6.200 -0.599 1.00 0.00 C ATOM 1499 CD1 LEU A 100 5.639 5.816 0.866 1.00 0.00 C ATOM 1500 CD2 LEU A 100 4.452 6.071 -1.321 1.00 0.00 C ATOM 0 H LEU A 100 8.162 6.398 -1.882 1.00 0.00 H new ATOM 0 HA LEU A 100 6.013 8.066 -2.809 1.00 0.00 H new ATOM 0 HB2 LEU A 100 7.137 7.749 -0.009 1.00 0.00 H new ATOM 0 HB3 LEU A 100 5.539 8.320 -0.447 1.00 0.00 H new ATOM 0 HG LEU A 100 6.495 5.516 -1.064 1.00 0.00 H new ATOM 0 HD11 LEU A 100 5.251 4.800 0.939 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.612 5.868 1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.950 6.504 1.356 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.080 5.052 -1.218 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.734 6.766 -0.886 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.586 6.303 -2.377 1.00 0.00 H new ATOM 1512 N GLN A 101 8.650 9.468 -1.376 1.00 0.00 N ATOM 1513 CA GLN A 101 9.377 10.725 -1.242 1.00 0.00 C ATOM 1514 C GLN A 101 9.925 11.184 -2.589 1.00 0.00 C ATOM 1515 O GLN A 101 10.275 12.351 -2.761 1.00 0.00 O ATOM 1516 CB GLN A 101 10.521 10.572 -0.238 1.00 0.00 C ATOM 1517 CG GLN A 101 10.063 10.129 1.143 1.00 0.00 C ATOM 1518 CD GLN A 101 11.025 10.546 2.238 1.00 0.00 C ATOM 1519 OE1 GLN A 101 11.445 11.702 2.304 1.00 0.00 O ATOM 1520 NE2 GLN A 101 11.379 9.605 3.105 1.00 0.00 N ATOM 0 H GLN A 101 9.094 8.672 -0.918 1.00 0.00 H new ATOM 0 HA GLN A 101 8.681 11.481 -0.877 1.00 0.00 H new ATOM 0 HB2 GLN A 101 11.238 9.847 -0.624 1.00 0.00 H new ATOM 0 HB3 GLN A 101 11.046 11.523 -0.150 1.00 0.00 H new ATOM 0 HG2 GLN A 101 9.079 10.551 1.348 1.00 0.00 H new ATOM 0 HG3 GLN A 101 9.953 9.045 1.155 1.00 0.00 H new ATOM 0 HE21 GLN A 101 11.006 8.660 3.012 1.00 0.00 H new ATOM 0 HE22 GLN A 101 12.024 9.827 3.864 1.00 0.00 H new ATOM 1529 N GLN A 102 9.995 10.258 -3.540 1.00 0.00 N ATOM 1530 CA GLN A 102 10.502 10.569 -4.872 1.00 0.00 C ATOM 1531 C GLN A 102 9.395 10.457 -5.915 1.00 0.00 C ATOM 1532 O GLN A 102 9.567 9.814 -6.952 1.00 0.00 O ATOM 1533 CB GLN A 102 11.656 9.632 -5.232 1.00 0.00 C ATOM 1534 CG GLN A 102 11.240 8.176 -5.362 1.00 0.00 C ATOM 1535 CD GLN A 102 12.087 7.414 -6.362 1.00 0.00 C ATOM 1536 OE1 GLN A 102 13.312 7.538 -6.378 1.00 0.00 O ATOM 1537 NE2 GLN A 102 11.436 6.620 -7.205 1.00 0.00 N ATOM 0 H GLN A 102 9.708 9.288 -3.413 1.00 0.00 H new ATOM 0 HA GLN A 102 10.866 11.596 -4.865 1.00 0.00 H new ATOM 0 HB2 GLN A 102 12.099 9.960 -6.172 1.00 0.00 H new ATOM 0 HB3 GLN A 102 12.430 9.713 -4.469 1.00 0.00 H new ATOM 0 HG2 GLN A 102 11.313 7.693 -4.388 1.00 0.00 H new ATOM 0 HG3 GLN A 102 10.194 8.127 -5.665 1.00 0.00 H new ATOM 0 HE21 GLN A 102 10.420 6.548 -7.156 1.00 0.00 H new ATOM 0 HE22 GLN A 102 11.952 6.083 -7.901 1.00 0.00 H new ATOM 1546 N THR A 103 8.258 11.086 -5.635 1.00 0.00 N ATOM 1547 CA THR A 103 7.123 11.056 -6.548 1.00 0.00 C ATOM 1548 C THR A 103 6.213 12.260 -6.334 1.00 0.00 C ATOM 1549 O THR A 103 5.567 12.388 -5.293 1.00 0.00 O ATOM 1550 CB THR A 103 6.297 9.767 -6.375 1.00 0.00 C ATOM 1551 OG1 THR A 103 7.018 8.649 -6.906 1.00 0.00 O ATOM 1552 CG2 THR A 103 4.952 9.888 -7.074 1.00 0.00 C ATOM 0 H THR A 103 8.099 11.623 -4.782 1.00 0.00 H new ATOM 0 HA THR A 103 7.530 11.086 -7.559 1.00 0.00 H new ATOM 0 HB THR A 103 6.122 9.614 -5.310 1.00 0.00 H new ATOM 0 HG1 THR A 103 7.641 8.311 -6.230 1.00 0.00 H new ATOM 0 HG21 THR A 103 4.387 8.966 -6.938 1.00 0.00 H new ATOM 0 HG22 THR A 103 4.394 10.722 -6.648 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.109 10.063 -8.138 1.00 0.00 H new ATOM 1560 N THR A 104 6.166 13.144 -7.327 1.00 0.00 N ATOM 1561 CA THR A 104 5.335 14.339 -7.247 1.00 0.00 C ATOM 1562 C THR A 104 4.213 14.298 -8.278 1.00 0.00 C ATOM 1563 O THR A 104 4.321 13.624 -9.301 1.00 0.00 O ATOM 1564 CB THR A 104 6.168 15.617 -7.462 1.00 0.00 C ATOM 1565 OG1 THR A 104 7.508 15.412 -7.000 1.00 0.00 O ATOM 1566 CG2 THR A 104 5.548 16.796 -6.728 1.00 0.00 C ATOM 0 H THR A 104 6.694 13.054 -8.195 1.00 0.00 H new ATOM 0 HA THR A 104 4.904 14.359 -6.246 1.00 0.00 H new ATOM 0 HB THR A 104 6.182 15.840 -8.529 1.00 0.00 H new ATOM 0 HG1 THR A 104 8.031 16.228 -7.142 1.00 0.00 H new ATOM 0 HG21 THR A 104 6.153 17.687 -6.894 1.00 0.00 H new ATOM 0 HG22 THR A 104 4.539 16.968 -7.102 1.00 0.00 H new ATOM 0 HG23 THR A 104 5.507 16.579 -5.661 1.00 0.00 H new ATOM 1574 N GLY A 105 3.135 15.025 -8.001 1.00 0.00 N ATOM 1575 CA GLY A 105 2.008 15.058 -8.915 1.00 0.00 C ATOM 1576 C GLY A 105 0.956 14.020 -8.576 1.00 0.00 C ATOM 1577 O GLY A 105 -0.109 14.352 -8.056 1.00 0.00 O ATOM 0 H GLY A 105 3.022 15.592 -7.160 1.00 0.00 H new ATOM 0 HA2 GLY A 105 1.556 16.050 -8.894 1.00 0.00 H new ATOM 0 HA3 GLY A 105 2.364 14.892 -9.932 1.00 0.00 H new ATOM 1581 N SER A 106 1.254 12.759 -8.873 1.00 0.00 N ATOM 1582 CA SER A 106 0.324 11.669 -8.602 1.00 0.00 C ATOM 1583 C SER A 106 1.043 10.489 -7.956 1.00 0.00 C ATOM 1584 O SER A 106 2.149 10.125 -8.357 1.00 0.00 O ATOM 1585 CB SER A 106 -0.358 11.219 -9.896 1.00 0.00 C ATOM 1586 OG SER A 106 -1.284 12.191 -10.349 1.00 0.00 O ATOM 0 H SER A 106 2.132 12.467 -9.301 1.00 0.00 H new ATOM 0 HA SER A 106 -0.433 12.034 -7.908 1.00 0.00 H new ATOM 0 HB2 SER A 106 0.394 11.043 -10.665 1.00 0.00 H new ATOM 0 HB3 SER A 106 -0.872 10.272 -9.730 1.00 0.00 H new ATOM 0 HG SER A 106 -1.705 11.881 -11.178 1.00 0.00 H new ATOM 1592 N LEU A 107 0.407 9.895 -6.952 1.00 0.00 N ATOM 1593 CA LEU A 107 0.985 8.756 -6.248 1.00 0.00 C ATOM 1594 C LEU A 107 -0.054 7.657 -6.045 1.00 0.00 C ATOM 1595 O LEU A 107 -0.918 7.759 -5.174 1.00 0.00 O ATOM 1596 CB LEU A 107 1.546 9.198 -4.896 1.00 0.00 C ATOM 1597 CG LEU A 107 2.032 8.080 -3.973 1.00 0.00 C ATOM 1598 CD1 LEU A 107 3.300 7.446 -4.523 1.00 0.00 C ATOM 1599 CD2 LEU A 107 2.268 8.613 -2.567 1.00 0.00 C ATOM 0 H LEU A 107 -0.509 10.183 -6.607 1.00 0.00 H new ATOM 0 HA LEU A 107 1.795 8.357 -6.858 1.00 0.00 H new ATOM 0 HB2 LEU A 107 2.377 9.881 -5.075 1.00 0.00 H new ATOM 0 HB3 LEU A 107 0.775 9.764 -4.373 1.00 0.00 H new ATOM 0 HG LEU A 107 1.258 7.314 -3.925 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.631 6.653 -3.853 1.00 0.00 H new ATOM 0 HD12 LEU A 107 3.099 7.027 -5.509 1.00 0.00 H new ATOM 0 HD13 LEU A 107 4.080 8.203 -4.602 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.613 7.803 -1.924 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.023 9.399 -2.598 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.337 9.019 -2.171 1.00 0.00 H new ATOM 1611 N ARG A 108 0.037 6.607 -6.854 1.00 0.00 N ATOM 1612 CA ARG A 108 -0.894 5.489 -6.763 1.00 0.00 C ATOM 1613 C ARG A 108 -0.391 4.442 -5.774 1.00 0.00 C ATOM 1614 O ARG A 108 0.754 3.996 -5.854 1.00 0.00 O ATOM 1615 CB ARG A 108 -1.095 4.851 -8.139 1.00 0.00 C ATOM 1616 CG ARG A 108 -2.455 4.195 -8.314 1.00 0.00 C ATOM 1617 CD ARG A 108 -2.391 3.033 -9.292 1.00 0.00 C ATOM 1618 NE ARG A 108 -2.381 3.486 -10.680 1.00 0.00 N ATOM 1619 CZ ARG A 108 -2.756 2.726 -11.704 1.00 0.00 C ATOM 1620 NH1 ARG A 108 -3.169 1.484 -11.495 1.00 0.00 N ATOM 1621 NH2 ARG A 108 -2.719 3.210 -12.939 1.00 0.00 N ATOM 0 H ARG A 108 0.746 6.507 -7.580 1.00 0.00 H new ATOM 0 HA ARG A 108 -1.849 5.873 -6.405 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -0.968 5.615 -8.906 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -0.317 4.104 -8.301 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -2.816 3.840 -7.349 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -3.173 4.933 -8.671 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -1.495 2.444 -9.097 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -3.246 2.376 -9.131 1.00 0.00 H new ATOM 0 HE ARG A 108 -2.069 4.438 -10.874 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -3.200 1.109 -10.547 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -3.456 0.903 -12.282 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -2.403 4.166 -13.103 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -3.007 2.626 -13.724 1.00 0.00 H new ATOM 1635 N LEU A 109 -1.254 4.054 -4.841 1.00 0.00 N ATOM 1636 CA LEU A 109 -0.898 3.059 -3.835 1.00 0.00 C ATOM 1637 C LEU A 109 -1.916 1.924 -3.809 1.00 0.00 C ATOM 1638 O LEU A 109 -3.078 2.127 -3.456 1.00 0.00 O ATOM 1639 CB LEU A 109 -0.808 3.712 -2.455 1.00 0.00 C ATOM 1640 CG LEU A 109 0.116 4.925 -2.344 1.00 0.00 C ATOM 1641 CD1 LEU A 109 0.008 5.553 -0.963 1.00 0.00 C ATOM 1642 CD2 LEU A 109 1.554 4.528 -2.641 1.00 0.00 C ATOM 0 H LEU A 109 -2.205 4.413 -4.760 1.00 0.00 H new ATOM 0 HA LEU A 109 0.075 2.643 -4.097 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.810 4.015 -2.153 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.474 2.960 -1.741 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.195 5.664 -3.082 1.00 0.00 H new ATOM 0 HD11 LEU A 109 0.673 6.415 -0.902 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.019 5.874 -0.788 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.293 4.821 -0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.198 5.404 -2.557 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.877 3.770 -1.927 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.619 4.125 -3.652 1.00 0.00 H new ATOM 1654 N ILE A 110 -1.471 0.728 -4.181 1.00 0.00 N ATOM 1655 CA ILE A 110 -2.342 -0.440 -4.196 1.00 0.00 C ATOM 1656 C ILE A 110 -2.318 -1.161 -2.852 1.00 0.00 C ATOM 1657 O ILE A 110 -1.395 -1.921 -2.559 1.00 0.00 O ATOM 1658 CB ILE A 110 -1.936 -1.430 -5.304 1.00 0.00 C ATOM 1659 CG1 ILE A 110 -2.150 -0.802 -6.683 1.00 0.00 C ATOM 1660 CG2 ILE A 110 -2.730 -2.722 -5.176 1.00 0.00 C ATOM 1661 CD1 ILE A 110 -1.701 -1.685 -7.826 1.00 0.00 C ATOM 0 H ILE A 110 -0.512 0.543 -4.476 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.351 -0.079 -4.394 1.00 0.00 H new ATOM 0 HB ILE A 110 -0.877 -1.664 -5.192 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -3.208 -0.570 -6.807 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.609 0.143 -6.731 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -2.432 -3.412 -5.966 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -2.533 -3.176 -4.205 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.794 -2.505 -5.266 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.883 -1.176 -8.772 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -0.636 -1.896 -7.726 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -2.260 -2.621 -7.804 1.00 0.00 H new ATOM 1673 N VAL A 111 -3.341 -0.919 -2.039 1.00 0.00 N ATOM 1674 CA VAL A 111 -3.440 -1.547 -0.727 1.00 0.00 C ATOM 1675 C VAL A 111 -4.488 -2.655 -0.726 1.00 0.00 C ATOM 1676 O VAL A 111 -5.341 -2.717 -1.611 1.00 0.00 O ATOM 1677 CB VAL A 111 -3.795 -0.518 0.363 1.00 0.00 C ATOM 1678 CG1 VAL A 111 -2.752 0.588 0.412 1.00 0.00 C ATOM 1679 CG2 VAL A 111 -5.183 0.056 0.121 1.00 0.00 C ATOM 0 H VAL A 111 -4.113 -0.292 -2.266 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.462 -1.975 -0.506 1.00 0.00 H new ATOM 0 HB VAL A 111 -3.799 -1.023 1.329 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -3.019 1.306 1.188 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -1.776 0.158 0.636 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -2.713 1.094 -0.553 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -5.418 0.781 0.900 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -5.209 0.547 -0.852 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.918 -0.749 0.141 1.00 0.00 H new ATOM 1689 N ALA A 112 -4.419 -3.526 0.275 1.00 0.00 N ATOM 1690 CA ALA A 112 -5.363 -4.630 0.394 1.00 0.00 C ATOM 1691 C ALA A 112 -6.266 -4.452 1.609 1.00 0.00 C ATOM 1692 O ALA A 112 -5.947 -3.693 2.525 1.00 0.00 O ATOM 1693 CB ALA A 112 -4.619 -5.955 0.477 1.00 0.00 C ATOM 0 H ALA A 112 -3.719 -3.488 1.016 1.00 0.00 H new ATOM 0 HA ALA A 112 -5.992 -4.634 -0.496 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -5.337 -6.770 0.566 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -4.021 -6.094 -0.424 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -3.965 -5.951 1.349 1.00 0.00 H new ATOM 1699 N ARG A 113 -7.395 -5.154 1.611 1.00 0.00 N ATOM 1700 CA ARG A 113 -8.345 -5.071 2.713 1.00 0.00 C ATOM 1701 C ARG A 113 -8.989 -6.428 2.979 1.00 0.00 C ATOM 1702 O ARG A 113 -8.848 -7.358 2.186 1.00 0.00 O ATOM 1703 CB ARG A 113 -9.426 -4.033 2.406 1.00 0.00 C ATOM 1704 CG ARG A 113 -8.879 -2.733 1.841 1.00 0.00 C ATOM 1705 CD ARG A 113 -9.873 -1.593 2.001 1.00 0.00 C ATOM 1706 NE ARG A 113 -9.721 -0.583 0.957 1.00 0.00 N ATOM 1707 CZ ARG A 113 -8.798 0.372 0.988 1.00 0.00 C ATOM 1708 NH1 ARG A 113 -7.950 0.447 2.004 1.00 0.00 N ATOM 1709 NH2 ARG A 113 -8.723 1.255 0.000 1.00 0.00 N ATOM 0 H ARG A 113 -7.674 -5.787 0.861 1.00 0.00 H new ATOM 0 HA ARG A 113 -7.801 -4.765 3.606 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -10.135 -4.458 1.695 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -9.981 -3.817 3.319 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -7.948 -2.479 2.347 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -8.642 -2.865 0.785 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -10.888 -1.991 1.976 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -9.737 -1.128 2.977 1.00 0.00 H new ATOM 0 HE ARG A 113 -10.358 -0.612 0.161 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -8.005 -0.230 2.765 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -7.243 1.181 2.025 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -9.374 1.200 -0.783 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -8.014 1.988 0.024 1.00 0.00 H new ATOM 1723 N GLU A 114 -9.695 -6.533 4.101 1.00 0.00 N ATOM 1724 CA GLU A 114 -10.359 -7.777 4.471 1.00 0.00 C ATOM 1725 C GLU A 114 -11.115 -8.365 3.283 1.00 0.00 C ATOM 1726 O GLU A 114 -11.868 -7.679 2.592 1.00 0.00 O ATOM 1727 CB GLU A 114 -11.323 -7.540 5.635 1.00 0.00 C ATOM 1728 CG GLU A 114 -12.318 -8.670 5.842 1.00 0.00 C ATOM 1729 CD GLU A 114 -12.994 -8.611 7.198 1.00 0.00 C ATOM 1730 OE1 GLU A 114 -13.615 -7.572 7.506 1.00 0.00 O ATOM 1731 OE2 GLU A 114 -12.903 -9.603 7.951 1.00 0.00 O ATOM 0 H GLU A 114 -9.821 -5.772 4.768 1.00 0.00 H new ATOM 0 HA GLU A 114 -9.594 -8.488 4.781 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -10.747 -7.402 6.550 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -11.870 -6.613 5.460 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -13.076 -8.629 5.060 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -11.804 -9.625 5.738 1.00 0.00 H new