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= -1.16 K(o=0.016,f=-10!) USER MOD Set 1.2: A 103 THR OG1 : rot 166:sc= 1.18 USER MOD Set 2.1: A 48 SER OG : rot 69:sc= 1.14 USER MOD Set 2.2: A 50 ASN : amide:sc= -0.0239 X(o=0.68,f=0.53) USER MOD Set 2.3: A 53 LYS NZ :NH3+ -118:sc= -0.444 (180deg=-0.988) USER MOD Single : A 14 ASN : amide:sc= -0.0506 X(o=-0.051,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.387 X(o=-0.39,f=-0.34) USER MOD Single : A 19 GLN : amide:sc= -0.0642 K(o=-0.064,f=-1.7!) USER MOD Single : A 20 MET CE :methyl 167:sc= -0.0101 (180deg=-0.31) USER MOD Single : A 22 GLN : amide:sc= -0.537 K(o=-0.54,f=-0.008) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.67) 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 49 GLN : amide:sc= -0.0069 K(o=-0.0069,f=-1.3!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 65 SER OG : rot 180:sc= 0.0292 USER MOD Single : A 74 LYS NZ :NH3+ 153:sc= -0.739 (180deg=-2!) USER MOD Single : A 76 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 78 GLN : amide:sc= -0.0793 K(o=-0.079,f=-1.1) USER MOD Single : A 84 HIS : no HD1:sc= -1.76 K(o=-1.8,f=-0.033) USER MOD Single : A 85 THR OG1 : rot -11:sc= 0.834 USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 90 ASN : amide:sc= 0.231 K(o=0.23,f=-5.7!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HD1:sc= -4.7! C(o=-4.7!,f=-4!) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 GLN : amide:sc= 0.464 K(o=0.46,f=-3.3!) USER MOD Single : A 101 GLN : amide:sc= -0.0601 K(o=-0.06,f=-1.7!) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) 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 3.740 -12.337 -13.218 1.00 0.00 N ATOM 122 CA ASP A 12 3.594 -10.988 -13.753 1.00 0.00 C ATOM 123 C ASP A 12 3.075 -10.033 -12.683 1.00 0.00 C ATOM 124 O ASP A 12 2.592 -10.461 -11.635 1.00 0.00 O ATOM 125 CB ASP A 12 2.646 -10.993 -14.953 1.00 0.00 C ATOM 126 CG ASP A 12 2.738 -12.274 -15.759 1.00 0.00 C ATOM 127 OD1 ASP A 12 3.776 -12.485 -16.420 1.00 0.00 O ATOM 128 OD2 ASP A 12 1.772 -13.065 -15.729 1.00 0.00 O ATOM 0 HA ASP A 12 4.576 -10.643 -14.077 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.622 -10.860 -14.604 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.876 -10.145 -15.597 1.00 0.00 H new ATOM 133 N PHE A 13 3.180 -8.736 -12.955 1.00 0.00 N ATOM 134 CA PHE A 13 2.723 -7.719 -12.015 1.00 0.00 C ATOM 135 C PHE A 13 1.351 -8.077 -11.450 1.00 0.00 C ATOM 136 O PHE A 13 1.062 -7.817 -10.283 1.00 0.00 O ATOM 137 CB PHE A 13 2.664 -6.351 -12.699 1.00 0.00 C ATOM 138 CG PHE A 13 1.973 -5.300 -11.879 1.00 0.00 C ATOM 139 CD1 PHE A 13 2.231 -5.180 -10.523 1.00 0.00 C ATOM 140 CD2 PHE A 13 1.064 -4.433 -12.464 1.00 0.00 C ATOM 141 CE1 PHE A 13 1.597 -4.213 -9.765 1.00 0.00 C ATOM 142 CE2 PHE A 13 0.428 -3.464 -11.711 1.00 0.00 C ATOM 143 CZ PHE A 13 0.693 -3.355 -10.360 1.00 0.00 C ATOM 0 H PHE A 13 3.577 -8.365 -13.818 1.00 0.00 H new ATOM 0 HA PHE A 13 3.436 -7.675 -11.191 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.679 -6.020 -12.919 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.148 -6.453 -13.654 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.936 -5.850 -10.053 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.850 -4.515 -13.519 1.00 0.00 H new ATOM 0 HE1 PHE A 13 1.808 -4.129 -8.709 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.276 -2.792 -12.179 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.194 -2.600 -9.770 1.00 0.00 H new ATOM 153 N ASN A 14 0.511 -8.675 -12.288 1.00 0.00 N ATOM 154 CA ASN A 14 -0.831 -9.068 -11.874 1.00 0.00 C ATOM 155 C ASN A 14 -0.784 -10.300 -10.976 1.00 0.00 C ATOM 156 O ASN A 14 -1.630 -10.474 -10.098 1.00 0.00 O ATOM 157 CB ASN A 14 -1.704 -9.349 -13.099 1.00 0.00 C ATOM 158 CG ASN A 14 -2.385 -8.099 -13.622 1.00 0.00 C ATOM 159 OD1 ASN A 14 -3.613 -8.020 -13.666 1.00 0.00 O ATOM 160 ND2 ASN A 14 -1.589 -7.115 -14.024 1.00 0.00 N ATOM 0 H ASN A 14 0.736 -8.898 -13.258 1.00 0.00 H new ATOM 0 HA ASN A 14 -1.265 -8.244 -11.308 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.089 -9.782 -13.888 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.460 -10.090 -12.841 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.990 -6.250 -14.387 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.576 -7.224 -13.970 1.00 0.00 H new ATOM 167 N SER A 15 0.211 -11.152 -11.201 1.00 0.00 N ATOM 168 CA SER A 15 0.367 -12.370 -10.414 1.00 0.00 C ATOM 169 C SER A 15 0.986 -12.063 -9.054 1.00 0.00 C ATOM 170 O SER A 15 0.482 -12.495 -8.018 1.00 0.00 O ATOM 171 CB SER A 15 1.236 -13.380 -11.166 1.00 0.00 C ATOM 172 OG SER A 15 0.885 -14.709 -10.823 1.00 0.00 O ATOM 0 H SER A 15 0.921 -11.022 -11.922 1.00 0.00 H new ATOM 0 HA SER A 15 -0.622 -12.799 -10.255 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.120 -13.236 -12.240 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.286 -13.206 -10.932 1.00 0.00 H new ATOM 0 HG SER A 15 1.453 -15.336 -11.318 1.00 0.00 H new ATOM 178 N VAL A 16 2.083 -11.312 -9.066 1.00 0.00 N ATOM 179 CA VAL A 16 2.771 -10.944 -7.835 1.00 0.00 C ATOM 180 C VAL A 16 1.817 -10.282 -6.848 1.00 0.00 C ATOM 181 O VAL A 16 1.818 -10.600 -5.658 1.00 0.00 O ATOM 182 CB VAL A 16 3.948 -9.991 -8.113 1.00 0.00 C ATOM 183 CG1 VAL A 16 3.496 -8.822 -8.975 1.00 0.00 C ATOM 184 CG2 VAL A 16 4.555 -9.498 -6.807 1.00 0.00 C ATOM 0 H VAL A 16 2.514 -10.947 -9.915 1.00 0.00 H new ATOM 0 HA VAL A 16 3.155 -11.867 -7.400 1.00 0.00 H new ATOM 0 HB VAL A 16 4.715 -10.539 -8.659 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.341 -8.159 -9.161 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.113 -9.197 -9.924 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.710 -8.271 -8.458 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.385 -8.826 -7.023 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.797 -8.966 -6.232 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.917 -10.349 -6.230 1.00 0.00 H new ATOM 194 N ILE A 17 1.003 -9.360 -7.349 1.00 0.00 N ATOM 195 CA ILE A 17 0.041 -8.653 -6.512 1.00 0.00 C ATOM 196 C ILE A 17 -1.002 -9.610 -5.945 1.00 0.00 C ATOM 197 O ILE A 17 -1.287 -9.593 -4.748 1.00 0.00 O ATOM 198 CB ILE A 17 -0.675 -7.537 -7.295 1.00 0.00 C ATOM 199 CG1 ILE A 17 0.315 -6.433 -7.672 1.00 0.00 C ATOM 200 CG2 ILE A 17 -1.825 -6.969 -6.477 1.00 0.00 C ATOM 201 CD1 ILE A 17 0.980 -5.784 -6.478 1.00 0.00 C ATOM 0 H ILE A 17 0.990 -9.085 -8.331 1.00 0.00 H new ATOM 0 HA ILE A 17 0.605 -8.206 -5.693 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.083 -7.962 -8.212 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.083 -6.852 -8.322 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.208 -5.668 -8.247 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.321 -6.181 -7.044 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.540 -7.761 -6.255 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.439 -6.557 -5.545 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.668 -5.011 -6.820 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.220 -5.336 -5.838 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.531 -6.537 -5.915 1.00 0.00 H new ATOM 213 N GLN A 18 -1.565 -10.445 -6.812 1.00 0.00 N ATOM 214 CA GLN A 18 -2.575 -11.411 -6.397 1.00 0.00 C ATOM 215 C GLN A 18 -2.006 -12.388 -5.374 1.00 0.00 C ATOM 216 O GLN A 18 -2.725 -12.876 -4.502 1.00 0.00 O ATOM 217 CB GLN A 18 -3.109 -12.176 -7.609 1.00 0.00 C ATOM 218 CG GLN A 18 -4.190 -11.429 -8.373 1.00 0.00 C ATOM 219 CD GLN A 18 -5.427 -11.175 -7.535 1.00 0.00 C ATOM 220 OE1 GLN A 18 -5.938 -12.079 -6.872 1.00 0.00 O ATOM 221 NE2 GLN A 18 -5.916 -9.941 -7.559 1.00 0.00 N ATOM 0 H GLN A 18 -1.339 -10.472 -7.806 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.395 -10.864 -5.932 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.282 -12.392 -8.285 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.507 -13.134 -7.276 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.791 -10.477 -8.722 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.467 -12.002 -9.258 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.461 -9.223 -8.122 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.747 -9.711 -7.014 1.00 0.00 H new ATOM 230 N GLN A 19 -0.712 -12.669 -5.487 1.00 0.00 N ATOM 231 CA GLN A 19 -0.048 -13.589 -4.572 1.00 0.00 C ATOM 232 C GLN A 19 0.184 -12.934 -3.214 1.00 0.00 C ATOM 233 O GLN A 19 0.074 -13.583 -2.175 1.00 0.00 O ATOM 234 CB GLN A 19 1.285 -14.055 -5.161 1.00 0.00 C ATOM 235 CG GLN A 19 1.134 -15.093 -6.261 1.00 0.00 C ATOM 236 CD GLN A 19 2.370 -15.957 -6.422 1.00 0.00 C ATOM 237 OE1 GLN A 19 3.365 -15.773 -5.721 1.00 0.00 O ATOM 238 NE2 GLN A 19 2.312 -16.906 -7.348 1.00 0.00 N ATOM 0 H GLN A 19 -0.103 -12.273 -6.203 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.697 -14.453 -4.432 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.819 -13.192 -5.558 1.00 0.00 H new ATOM 0 HB3 GLN A 19 1.900 -14.470 -4.363 1.00 0.00 H new ATOM 0 HG2 GLN A 19 0.277 -15.729 -6.040 1.00 0.00 H new ATOM 0 HG3 GLN A 19 0.922 -14.589 -7.204 1.00 0.00 H new ATOM 0 HE21 GLN A 19 1.466 -17.023 -7.906 1.00 0.00 H new ATOM 0 HE22 GLN A 19 3.113 -17.519 -7.501 1.00 0.00 H new ATOM 247 N MET A 20 0.507 -11.645 -3.232 1.00 0.00 N ATOM 248 CA MET A 20 0.754 -10.902 -2.002 1.00 0.00 C ATOM 249 C MET A 20 -0.554 -10.600 -1.277 1.00 0.00 C ATOM 250 O MET A 20 -0.604 -10.587 -0.048 1.00 0.00 O ATOM 251 CB MET A 20 1.494 -9.599 -2.308 1.00 0.00 C ATOM 252 CG MET A 20 2.825 -9.806 -3.012 1.00 0.00 C ATOM 253 SD MET A 20 3.313 -8.385 -4.009 1.00 0.00 S ATOM 254 CE MET A 20 3.724 -7.200 -2.731 1.00 0.00 C ATOM 0 H MET A 20 0.604 -11.094 -4.085 1.00 0.00 H new ATOM 0 HA MET A 20 1.374 -11.519 -1.352 1.00 0.00 H new ATOM 0 HB2 MET A 20 0.859 -8.967 -2.929 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.665 -9.061 -1.376 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.597 -10.006 -2.269 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.761 -10.687 -3.650 1.00 0.00 H new ATOM 0 HE1 MET A 20 4.258 -6.359 -3.173 1.00 0.00 H new ATOM 0 HE2 MET A 20 2.809 -6.842 -2.259 1.00 0.00 H new ATOM 0 HE3 MET A 20 4.356 -7.677 -1.982 1.00 0.00 H new ATOM 264 N ALA A 21 -1.609 -10.358 -2.048 1.00 0.00 N ATOM 265 CA ALA A 21 -2.917 -10.058 -1.479 1.00 0.00 C ATOM 266 C ALA A 21 -3.568 -11.313 -0.906 1.00 0.00 C ATOM 267 O ALA A 21 -4.259 -11.255 0.111 1.00 0.00 O ATOM 268 CB ALA A 21 -3.818 -9.427 -2.530 1.00 0.00 C ATOM 0 H ALA A 21 -1.583 -10.364 -3.068 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.776 -9.349 -0.663 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.791 -9.208 -2.091 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.366 -8.502 -2.889 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.943 -10.118 -3.364 1.00 0.00 H new ATOM 274 N GLN A 22 -3.342 -12.444 -1.566 1.00 0.00 N ATOM 275 CA GLN A 22 -3.909 -13.713 -1.122 1.00 0.00 C ATOM 276 C GLN A 22 -5.432 -13.686 -1.200 1.00 0.00 C ATOM 277 O GLN A 22 -6.117 -14.221 -0.330 1.00 0.00 O ATOM 278 CB GLN A 22 -3.464 -14.021 0.308 1.00 0.00 C ATOM 279 CG GLN A 22 -1.955 -14.014 0.492 1.00 0.00 C ATOM 280 CD GLN A 22 -1.327 -15.365 0.212 1.00 0.00 C ATOM 281 OE1 GLN A 22 -0.898 -16.065 1.131 1.00 0.00 O ATOM 282 NE2 GLN A 22 -1.269 -15.739 -1.060 1.00 0.00 N ATOM 0 H GLN A 22 -2.771 -12.508 -2.409 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.544 -14.497 -1.785 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.907 -13.289 0.983 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -3.852 -14.997 0.598 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -1.515 -13.269 -0.171 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -1.719 -13.712 1.512 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.637 -15.127 -1.789 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -0.857 -16.638 -1.309 1.00 0.00 H new ATOM 291 N GLY A 23 -5.955 -13.057 -2.248 1.00 0.00 N ATOM 292 CA GLY A 23 -7.394 -12.971 -2.419 1.00 0.00 C ATOM 293 C GLY A 23 -7.970 -11.690 -1.851 1.00 0.00 C ATOM 294 O GLY A 23 -8.990 -11.194 -2.329 1.00 0.00 O ATOM 0 H GLY A 23 -5.408 -12.606 -2.981 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.635 -13.035 -3.480 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.866 -13.825 -1.933 1.00 0.00 H new ATOM 298 N ARG A 24 -7.316 -11.153 -0.826 1.00 0.00 N ATOM 299 CA ARG A 24 -7.772 -9.922 -0.189 1.00 0.00 C ATOM 300 C ARG A 24 -8.241 -8.912 -1.232 1.00 0.00 C ATOM 301 O ARG A 24 -7.633 -8.775 -2.294 1.00 0.00 O ATOM 302 CB ARG A 24 -6.651 -9.315 0.656 1.00 0.00 C ATOM 303 CG ARG A 24 -6.552 -9.908 2.052 1.00 0.00 C ATOM 304 CD ARG A 24 -5.393 -9.307 2.832 1.00 0.00 C ATOM 305 NE ARG A 24 -4.157 -10.062 2.643 1.00 0.00 N ATOM 306 CZ ARG A 24 -2.957 -9.605 2.986 1.00 0.00 C ATOM 307 NH1 ARG A 24 -2.833 -8.403 3.532 1.00 0.00 N ATOM 308 NH2 ARG A 24 -1.879 -10.351 2.783 1.00 0.00 N ATOM 0 H ARG A 24 -6.469 -11.550 -0.419 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.614 -10.167 0.458 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.701 -9.458 0.141 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.810 -8.240 0.737 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.484 -9.733 2.590 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.423 -10.988 1.981 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.240 -8.275 2.516 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.644 -9.282 3.892 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.218 -10.990 2.225 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.660 -7.827 3.690 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.911 -8.055 3.794 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.971 -11.276 2.363 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.958 -9.999 3.047 1.00 0.00 H new ATOM 322 N GLN A 25 -9.325 -8.209 -0.922 1.00 0.00 N ATOM 323 CA GLN A 25 -9.876 -7.213 -1.833 1.00 0.00 C ATOM 324 C GLN A 25 -8.878 -6.084 -2.072 1.00 0.00 C ATOM 325 O GLN A 25 -8.575 -5.309 -1.165 1.00 0.00 O ATOM 326 CB GLN A 25 -11.182 -6.646 -1.274 1.00 0.00 C ATOM 327 CG GLN A 25 -11.478 -5.229 -1.739 1.00 0.00 C ATOM 328 CD GLN A 25 -12.784 -4.694 -1.184 1.00 0.00 C ATOM 329 OE1 GLN A 25 -13.215 -5.082 -0.098 1.00 0.00 O ATOM 330 NE2 GLN A 25 -13.421 -3.799 -1.930 1.00 0.00 N ATOM 0 H GLN A 25 -9.839 -8.311 -0.047 1.00 0.00 H new ATOM 0 HA GLN A 25 -10.080 -7.702 -2.786 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -12.006 -7.296 -1.569 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.138 -6.661 -0.185 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.662 -4.573 -1.435 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.515 -5.208 -2.828 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.026 -3.506 -2.824 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -14.305 -3.404 -1.609 1.00 0.00 H new ATOM 339 N ILE A 26 -8.373 -5.997 -3.298 1.00 0.00 N ATOM 340 CA ILE A 26 -7.411 -4.963 -3.656 1.00 0.00 C ATOM 341 C ILE A 26 -8.116 -3.692 -4.116 1.00 0.00 C ATOM 342 O ILE A 26 -9.142 -3.750 -4.793 1.00 0.00 O ATOM 343 CB ILE A 26 -6.458 -5.440 -4.768 1.00 0.00 C ATOM 344 CG1 ILE A 26 -5.725 -6.710 -4.332 1.00 0.00 C ATOM 345 CG2 ILE A 26 -5.465 -4.343 -5.121 1.00 0.00 C ATOM 346 CD1 ILE A 26 -5.036 -7.431 -5.469 1.00 0.00 C ATOM 0 H ILE A 26 -8.614 -6.631 -4.060 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.830 -4.749 -2.759 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.046 -5.670 -5.656 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.985 -6.451 -3.575 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.438 -7.388 -3.862 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.798 -4.695 -5.908 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.004 -3.462 -5.469 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.880 -4.084 -4.239 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.537 -8.321 -5.086 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.774 -7.722 -6.216 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.299 -6.770 -5.925 1.00 0.00 H new ATOM 358 N GLU A 27 -7.557 -2.543 -3.745 1.00 0.00 N ATOM 359 CA GLU A 27 -8.133 -1.258 -4.122 1.00 0.00 C ATOM 360 C GLU A 27 -7.044 -0.277 -4.545 1.00 0.00 C ATOM 361 O GLU A 27 -5.890 -0.398 -4.133 1.00 0.00 O ATOM 362 CB GLU A 27 -8.938 -0.674 -2.959 1.00 0.00 C ATOM 363 CG GLU A 27 -10.358 -1.207 -2.873 1.00 0.00 C ATOM 364 CD GLU A 27 -11.156 -0.948 -4.136 1.00 0.00 C ATOM 365 OE1 GLU A 27 -10.980 -1.706 -5.113 1.00 0.00 O ATOM 366 OE2 GLU A 27 -11.954 0.012 -4.148 1.00 0.00 O ATOM 0 H GLU A 27 -6.707 -2.477 -3.185 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.799 -1.422 -4.969 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.420 -0.891 -2.025 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.972 0.411 -3.060 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.328 -2.279 -2.680 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.865 -0.745 -2.026 1.00 0.00 H new ATOM 373 N TYR A 28 -7.419 0.695 -5.369 1.00 0.00 N ATOM 374 CA TYR A 28 -6.474 1.696 -5.851 1.00 0.00 C ATOM 375 C TYR A 28 -6.748 3.055 -5.214 1.00 0.00 C ATOM 376 O TYR A 28 -7.665 3.769 -5.620 1.00 0.00 O ATOM 377 CB TYR A 28 -6.551 1.809 -7.374 1.00 0.00 C ATOM 378 CG TYR A 28 -6.581 0.472 -8.080 1.00 0.00 C ATOM 379 CD1 TYR A 28 -5.781 -0.580 -7.652 1.00 0.00 C ATOM 380 CD2 TYR A 28 -7.409 0.262 -9.176 1.00 0.00 C ATOM 381 CE1 TYR A 28 -5.805 -1.803 -8.294 1.00 0.00 C ATOM 382 CE2 TYR A 28 -7.440 -0.958 -9.823 1.00 0.00 C ATOM 383 CZ TYR A 28 -6.636 -1.987 -9.379 1.00 0.00 C ATOM 384 OH TYR A 28 -6.663 -3.203 -10.022 1.00 0.00 O ATOM 0 H TYR A 28 -8.371 0.811 -5.717 1.00 0.00 H new ATOM 0 HA TYR A 28 -5.471 1.378 -5.568 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.444 2.373 -7.643 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -5.694 2.380 -7.731 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -5.129 -0.439 -6.803 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -8.039 1.066 -9.528 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.177 -2.610 -7.948 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -8.091 -1.105 -10.672 1.00 0.00 H new ATOM 0 HH TYR A 28 -7.302 -3.166 -10.764 1.00 0.00 H new ATOM 394 N ILE A 29 -5.946 3.405 -4.214 1.00 0.00 N ATOM 395 CA ILE A 29 -6.100 4.678 -3.521 1.00 0.00 C ATOM 396 C ILE A 29 -5.285 5.774 -4.199 1.00 0.00 C ATOM 397 O ILE A 29 -4.056 5.777 -4.135 1.00 0.00 O ATOM 398 CB ILE A 29 -5.671 4.572 -2.046 1.00 0.00 C ATOM 399 CG1 ILE A 29 -6.365 3.386 -1.374 1.00 0.00 C ATOM 400 CG2 ILE A 29 -5.986 5.865 -1.309 1.00 0.00 C ATOM 401 CD1 ILE A 29 -7.824 3.637 -1.063 1.00 0.00 C ATOM 0 H ILE A 29 -5.183 2.825 -3.866 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.158 4.935 -3.565 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.594 4.408 -2.007 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.285 2.513 -2.022 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.841 3.145 -0.449 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.677 5.775 -0.268 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.449 6.690 -1.777 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.058 6.058 -1.354 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -8.252 2.754 -0.588 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.911 4.490 -0.390 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -8.362 3.848 -1.987 1.00 0.00 H new ATOM 413 N ASP A 30 -5.979 6.705 -4.846 1.00 0.00 N ATOM 414 CA ASP A 30 -5.320 7.809 -5.533 1.00 0.00 C ATOM 415 C ASP A 30 -5.030 8.955 -4.568 1.00 0.00 C ATOM 416 O ASP A 30 -5.948 9.569 -4.025 1.00 0.00 O ATOM 417 CB ASP A 30 -6.187 8.308 -6.690 1.00 0.00 C ATOM 418 CG ASP A 30 -5.500 9.384 -7.507 1.00 0.00 C ATOM 419 OD1 ASP A 30 -4.921 10.311 -6.901 1.00 0.00 O ATOM 420 OD2 ASP A 30 -5.540 9.300 -8.752 1.00 0.00 O ATOM 0 H ASP A 30 -6.997 6.717 -4.909 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.373 7.443 -5.930 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.440 7.469 -7.339 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.125 8.699 -6.295 1.00 0.00 H new ATOM 425 N ILE A 31 -3.748 9.235 -4.359 1.00 0.00 N ATOM 426 CA ILE A 31 -3.338 10.306 -3.460 1.00 0.00 C ATOM 427 C ILE A 31 -2.688 11.452 -4.229 1.00 0.00 C ATOM 428 O ILE A 31 -1.858 11.228 -5.110 1.00 0.00 O ATOM 429 CB ILE A 31 -2.353 9.797 -2.391 1.00 0.00 C ATOM 430 CG1 ILE A 31 -3.033 8.763 -1.491 1.00 0.00 C ATOM 431 CG2 ILE A 31 -1.821 10.959 -1.564 1.00 0.00 C ATOM 432 CD1 ILE A 31 -2.066 7.803 -0.835 1.00 0.00 C ATOM 0 H ILE A 31 -2.976 8.735 -4.800 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.241 10.668 -2.968 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.512 9.318 -2.892 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.598 9.283 -0.717 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.751 8.195 -2.082 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.126 10.583 -0.813 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.304 11.663 -2.216 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.651 11.464 -1.070 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.618 7.099 -0.212 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.519 7.256 -1.603 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.363 8.361 -0.216 1.00 0.00 H new ATOM 444 N GLU A 32 -3.070 12.678 -3.888 1.00 0.00 N ATOM 445 CA GLU A 32 -2.524 13.859 -4.547 1.00 0.00 C ATOM 446 C GLU A 32 -1.331 14.411 -3.772 1.00 0.00 C ATOM 447 O GLU A 32 -1.497 15.118 -2.778 1.00 0.00 O ATOM 448 CB GLU A 32 -3.600 14.938 -4.685 1.00 0.00 C ATOM 449 CG GLU A 32 -3.041 16.321 -4.972 1.00 0.00 C ATOM 450 CD GLU A 32 -4.022 17.202 -5.720 1.00 0.00 C ATOM 451 OE1 GLU A 32 -4.003 17.183 -6.969 1.00 0.00 O ATOM 452 OE2 GLU A 32 -4.809 17.911 -5.059 1.00 0.00 O ATOM 0 H GLU A 32 -3.755 12.880 -3.160 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.186 13.565 -5.541 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.283 14.658 -5.487 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.185 14.975 -3.766 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.770 16.802 -4.032 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.126 16.225 -5.556 1.00 0.00 H new ATOM 459 N ARG A 33 -0.129 14.081 -4.233 1.00 0.00 N ATOM 460 CA ARG A 33 1.092 14.542 -3.583 1.00 0.00 C ATOM 461 C ARG A 33 0.988 16.019 -3.214 1.00 0.00 C ATOM 462 O ARG A 33 0.836 16.889 -4.072 1.00 0.00 O ATOM 463 CB ARG A 33 2.298 14.317 -4.497 1.00 0.00 C ATOM 464 CG ARG A 33 2.923 12.939 -4.352 1.00 0.00 C ATOM 465 CD ARG A 33 4.009 12.929 -3.287 1.00 0.00 C ATOM 466 NE ARG A 33 5.131 13.794 -3.641 1.00 0.00 N ATOM 467 CZ ARG A 33 6.171 14.012 -2.844 1.00 0.00 C ATOM 468 NH1 ARG A 33 6.231 13.432 -1.653 1.00 0.00 N ATOM 469 NH2 ARG A 33 7.153 14.813 -3.237 1.00 0.00 N ATOM 0 H ARG A 33 0.025 13.496 -5.054 1.00 0.00 H new ATOM 0 HA ARG A 33 1.226 13.966 -2.668 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.990 14.460 -5.533 1.00 0.00 H new ATOM 0 HB3 ARG A 33 3.053 15.073 -4.282 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.152 12.214 -4.093 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.346 12.628 -5.307 1.00 0.00 H new ATOM 0 HD2 ARG A 33 3.587 13.254 -2.336 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.368 11.910 -3.145 1.00 0.00 H new ATOM 0 HE ARG A 33 5.115 14.256 -4.550 1.00 0.00 H new ATOM 0 HH11 ARG A 33 5.477 12.817 -1.347 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.031 13.601 -1.043 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.110 15.262 -4.152 1.00 0.00 H new ATOM 0 HH22 ARG A 33 7.951 14.980 -2.624 1.00 0.00 H new ATOM 536 N LEU A 39 2.410 13.324 2.486 1.00 0.00 N ATOM 537 CA LEU A 39 1.283 12.600 1.909 1.00 0.00 C ATOM 538 C LEU A 39 0.155 12.448 2.925 1.00 0.00 C ATOM 539 O LEU A 39 -0.657 11.529 2.833 1.00 0.00 O ATOM 540 CB LEU A 39 1.733 11.222 1.419 1.00 0.00 C ATOM 541 CG LEU A 39 3.200 11.103 1.008 1.00 0.00 C ATOM 542 CD1 LEU A 39 3.629 9.644 0.979 1.00 0.00 C ATOM 543 CD2 LEU A 39 3.429 11.755 -0.348 1.00 0.00 C ATOM 0 HA LEU A 39 0.909 13.175 1.062 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.537 10.496 2.208 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.114 10.941 0.567 1.00 0.00 H new ATOM 0 HG LEU A 39 3.808 11.625 1.747 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.676 9.579 0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.503 9.208 1.970 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.016 9.099 0.262 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.479 11.661 -0.624 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.811 11.262 -1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.161 12.810 -0.294 1.00 0.00 H new ATOM 555 N GLY A 40 0.111 13.359 3.893 1.00 0.00 N ATOM 556 CA GLY A 40 -0.923 13.310 4.910 1.00 0.00 C ATOM 557 C GLY A 40 -1.050 11.937 5.541 1.00 0.00 C ATOM 558 O GLY A 40 -2.022 11.656 6.243 1.00 0.00 O ATOM 0 H GLY A 40 0.772 14.129 3.991 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.701 14.044 5.685 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.878 13.593 4.467 1.00 0.00 H new ATOM 562 N PHE A 41 -0.066 11.079 5.291 1.00 0.00 N ATOM 563 CA PHE A 41 -0.074 9.728 5.838 1.00 0.00 C ATOM 564 C PHE A 41 1.343 9.168 5.923 1.00 0.00 C ATOM 565 O PHE A 41 2.172 9.412 5.047 1.00 0.00 O ATOM 566 CB PHE A 41 -0.945 8.811 4.977 1.00 0.00 C ATOM 567 CG PHE A 41 -0.212 8.203 3.816 1.00 0.00 C ATOM 568 CD1 PHE A 41 0.715 7.193 4.017 1.00 0.00 C ATOM 569 CD2 PHE A 41 -0.449 8.642 2.523 1.00 0.00 C ATOM 570 CE1 PHE A 41 1.392 6.633 2.950 1.00 0.00 C ATOM 571 CE2 PHE A 41 0.225 8.085 1.452 1.00 0.00 C ATOM 572 CZ PHE A 41 1.146 7.079 1.666 1.00 0.00 C ATOM 0 H PHE A 41 0.746 11.296 4.713 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.490 9.773 6.844 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.346 8.013 5.602 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.796 9.379 4.601 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.911 6.839 5.019 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.169 9.428 2.350 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.113 5.847 3.120 1.00 0.00 H new ATOM 0 HE2 PHE A 41 0.031 8.436 0.449 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.673 6.642 0.831 1.00 0.00 H new ATOM 582 N SER A 42 1.613 8.416 6.986 1.00 0.00 N ATOM 583 CA SER A 42 2.930 7.824 7.189 1.00 0.00 C ATOM 584 C SER A 42 2.890 6.316 6.959 1.00 0.00 C ATOM 585 O SER A 42 1.828 5.741 6.721 1.00 0.00 O ATOM 586 CB SER A 42 3.435 8.123 8.602 1.00 0.00 C ATOM 587 OG SER A 42 4.183 9.326 8.632 1.00 0.00 O ATOM 0 H SER A 42 0.937 8.203 7.720 1.00 0.00 H new ATOM 0 HA SER A 42 3.615 8.266 6.465 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.589 8.200 9.285 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.054 7.297 8.953 1.00 0.00 H new ATOM 0 HG SER A 42 4.493 9.496 9.546 1.00 0.00 H new ATOM 593 N VAL A 43 4.055 5.681 7.034 1.00 0.00 N ATOM 594 CA VAL A 43 4.155 4.240 6.836 1.00 0.00 C ATOM 595 C VAL A 43 5.083 3.607 7.866 1.00 0.00 C ATOM 596 O VAL A 43 5.997 4.255 8.376 1.00 0.00 O ATOM 597 CB VAL A 43 4.667 3.902 5.423 1.00 0.00 C ATOM 598 CG1 VAL A 43 3.643 4.305 4.373 1.00 0.00 C ATOM 599 CG2 VAL A 43 6.004 4.581 5.164 1.00 0.00 C ATOM 0 H VAL A 43 4.943 6.142 7.231 1.00 0.00 H new ATOM 0 HA VAL A 43 3.151 3.833 6.958 1.00 0.00 H new ATOM 0 HB VAL A 43 4.814 2.824 5.357 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.022 4.058 3.381 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.711 3.768 4.549 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.461 5.378 4.435 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.351 4.331 4.161 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.886 5.661 5.248 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.734 4.238 5.897 1.00 0.00 H new ATOM 609 N VAL A 44 4.842 2.335 8.169 1.00 0.00 N ATOM 610 CA VAL A 44 5.657 1.612 9.138 1.00 0.00 C ATOM 611 C VAL A 44 6.240 0.343 8.527 1.00 0.00 C ATOM 612 O VAL A 44 5.521 -0.459 7.932 1.00 0.00 O ATOM 613 CB VAL A 44 4.841 1.238 10.390 1.00 0.00 C ATOM 614 CG1 VAL A 44 4.469 2.486 11.176 1.00 0.00 C ATOM 615 CG2 VAL A 44 3.598 0.453 10.000 1.00 0.00 C ATOM 0 H VAL A 44 4.089 1.784 7.757 1.00 0.00 H new ATOM 0 HA VAL A 44 6.469 2.278 9.429 1.00 0.00 H new ATOM 0 HB VAL A 44 5.457 0.605 11.029 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.893 2.203 12.057 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.376 3.004 11.487 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.871 3.147 10.548 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.033 0.197 10.896 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.977 1.059 9.341 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.892 -0.461 9.483 1.00 0.00 H new ATOM 625 N ALA A 45 7.548 0.167 8.679 1.00 0.00 N ATOM 626 CA ALA A 45 8.228 -1.007 8.144 1.00 0.00 C ATOM 627 C ALA A 45 8.253 -2.139 9.165 1.00 0.00 C ATOM 628 O ALA A 45 8.625 -1.939 10.322 1.00 0.00 O ATOM 629 CB ALA A 45 9.644 -0.647 7.718 1.00 0.00 C ATOM 0 H ALA A 45 8.158 0.822 9.168 1.00 0.00 H new ATOM 0 HA ALA A 45 7.674 -1.352 7.271 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.141 -1.532 7.321 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.608 0.125 6.949 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.200 -0.275 8.579 1.00 0.00 H new ATOM 635 N LEU A 46 7.853 -3.329 8.730 1.00 0.00 N ATOM 636 CA LEU A 46 7.828 -4.495 9.607 1.00 0.00 C ATOM 637 C LEU A 46 8.162 -5.766 8.833 1.00 0.00 C ATOM 638 O LEU A 46 7.352 -6.256 8.045 1.00 0.00 O ATOM 639 CB LEU A 46 6.455 -4.632 10.267 1.00 0.00 C ATOM 640 CG LEU A 46 5.985 -3.435 11.093 1.00 0.00 C ATOM 641 CD1 LEU A 46 4.470 -3.445 11.234 1.00 0.00 C ATOM 642 CD2 LEU A 46 6.650 -3.437 12.462 1.00 0.00 C ATOM 0 H LEU A 46 7.542 -3.512 7.776 1.00 0.00 H new ATOM 0 HA LEU A 46 8.583 -4.354 10.380 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.717 -4.822 9.488 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.471 -5.510 10.913 1.00 0.00 H new ATOM 0 HG LEU A 46 6.275 -2.523 10.572 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.154 -2.585 11.825 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.012 -3.394 10.246 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.157 -4.363 11.732 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.303 -2.578 13.036 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.392 -4.355 12.991 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.732 -3.380 12.341 1.00 0.00 H new ATOM 654 N ARG A 47 9.359 -6.296 9.063 1.00 0.00 N ATOM 655 CA ARG A 47 9.799 -7.511 8.388 1.00 0.00 C ATOM 656 C ARG A 47 8.693 -8.561 8.381 1.00 0.00 C ATOM 657 O ARG A 47 8.278 -9.047 9.433 1.00 0.00 O ATOM 658 CB ARG A 47 11.048 -8.074 9.069 1.00 0.00 C ATOM 659 CG ARG A 47 11.884 -8.966 8.166 1.00 0.00 C ATOM 660 CD ARG A 47 11.314 -10.374 8.090 1.00 0.00 C ATOM 661 NE ARG A 47 11.854 -11.240 9.135 1.00 0.00 N ATOM 662 CZ ARG A 47 13.026 -11.859 9.043 1.00 0.00 C ATOM 663 NH1 ARG A 47 13.776 -11.707 7.960 1.00 0.00 N ATOM 664 NH2 ARG A 47 13.450 -12.631 10.035 1.00 0.00 N ATOM 0 H ARG A 47 10.041 -5.903 9.712 1.00 0.00 H new ATOM 0 HA ARG A 47 10.040 -7.256 7.356 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.665 -7.246 9.420 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.747 -8.642 9.949 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.926 -8.535 7.166 1.00 0.00 H new ATOM 0 HG3 ARG A 47 12.907 -9.006 8.539 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.229 -10.331 8.180 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.536 -10.803 7.113 1.00 0.00 H new ATOM 0 HE ARG A 47 11.301 -11.377 9.981 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.453 -11.114 7.195 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.675 -12.183 7.892 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.876 -12.750 10.870 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.350 -13.106 9.963 1.00 0.00 H new ATOM 678 N SER A 48 8.218 -8.906 7.188 1.00 0.00 N ATOM 679 CA SER A 48 7.157 -9.895 7.045 1.00 0.00 C ATOM 680 C SER A 48 7.682 -11.300 7.322 1.00 0.00 C ATOM 681 O SER A 48 8.629 -11.757 6.682 1.00 0.00 O ATOM 682 CB SER A 48 6.558 -9.831 5.638 1.00 0.00 C ATOM 683 OG SER A 48 5.198 -10.232 5.644 1.00 0.00 O ATOM 0 H SER A 48 8.552 -8.515 6.307 1.00 0.00 H new ATOM 0 HA SER A 48 6.380 -9.666 7.775 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.639 -8.815 5.251 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.127 -10.475 4.967 1.00 0.00 H new ATOM 0 HG SER A 48 4.661 -9.562 6.116 1.00 0.00 H new ATOM 689 N GLN A 49 7.061 -11.979 8.281 1.00 0.00 N ATOM 690 CA GLN A 49 7.466 -13.332 8.644 1.00 0.00 C ATOM 691 C GLN A 49 7.967 -14.097 7.423 1.00 0.00 C ATOM 692 O GLN A 49 8.881 -14.914 7.522 1.00 0.00 O ATOM 693 CB GLN A 49 6.298 -14.082 9.286 1.00 0.00 C ATOM 694 CG GLN A 49 6.238 -13.935 10.798 1.00 0.00 C ATOM 695 CD GLN A 49 5.223 -14.864 11.435 1.00 0.00 C ATOM 696 OE1 GLN A 49 4.806 -15.854 10.832 1.00 0.00 O ATOM 697 NE2 GLN A 49 4.820 -14.550 12.660 1.00 0.00 N ATOM 0 H GLN A 49 6.276 -11.615 8.820 1.00 0.00 H new ATOM 0 HA GLN A 49 8.281 -13.259 9.364 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.364 -13.719 8.857 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.374 -15.140 9.035 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.223 -14.137 11.218 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.989 -12.904 11.049 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.192 -13.720 13.122 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.138 -15.138 13.139 1.00 0.00 H new ATOM 706 N ASN A 50 7.361 -13.825 6.271 1.00 0.00 N ATOM 707 CA ASN A 50 7.745 -14.489 5.031 1.00 0.00 C ATOM 708 C ASN A 50 9.226 -14.274 4.735 1.00 0.00 C ATOM 709 O ASN A 50 9.943 -13.650 5.519 1.00 0.00 O ATOM 710 CB ASN A 50 6.900 -13.968 3.866 1.00 0.00 C ATOM 711 CG ASN A 50 5.413 -14.148 4.105 1.00 0.00 C ATOM 712 OD1 ASN A 50 4.934 -15.267 4.289 1.00 0.00 O ATOM 713 ND2 ASN A 50 4.675 -13.044 4.103 1.00 0.00 N ATOM 0 H ASN A 50 6.603 -13.150 6.171 1.00 0.00 H new ATOM 0 HA ASN A 50 7.568 -15.558 5.151 1.00 0.00 H new ATOM 0 HB2 ASN A 50 7.115 -12.911 3.709 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.184 -14.490 2.952 1.00 0.00 H new ATOM 0 HD21 ASN A 50 3.669 -13.103 4.258 1.00 0.00 H new ATOM 0 HD22 ASN A 50 5.115 -12.137 3.946 1.00 0.00 H new ATOM 720 N LEU A 51 9.678 -14.793 3.598 1.00 0.00 N ATOM 721 CA LEU A 51 11.074 -14.657 3.198 1.00 0.00 C ATOM 722 C LEU A 51 11.516 -13.198 3.248 1.00 0.00 C ATOM 723 O LEU A 51 10.710 -12.303 3.500 1.00 0.00 O ATOM 724 CB LEU A 51 11.277 -15.215 1.788 1.00 0.00 C ATOM 725 CG LEU A 51 10.931 -14.270 0.636 1.00 0.00 C ATOM 726 CD1 LEU A 51 9.697 -13.447 0.973 1.00 0.00 C ATOM 727 CD2 LEU A 51 12.110 -13.362 0.318 1.00 0.00 C ATOM 0 H LEU A 51 9.098 -15.311 2.938 1.00 0.00 H new ATOM 0 HA LEU A 51 11.684 -15.226 3.899 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.320 -15.515 1.684 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.674 -16.117 1.685 1.00 0.00 H new ATOM 0 HG LEU A 51 10.712 -14.870 -0.247 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.466 -12.781 0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.852 -14.113 1.150 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.887 -12.857 1.869 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.846 -12.697 -0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 51 12.361 -12.770 1.198 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.969 -13.968 0.032 1.00 0.00 H new ATOM 739 N GLY A 52 12.802 -12.966 3.004 1.00 0.00 N ATOM 740 CA GLY A 52 13.329 -11.613 3.024 1.00 0.00 C ATOM 741 C GLY A 52 12.392 -10.617 2.370 1.00 0.00 C ATOM 742 O GLY A 52 12.476 -10.372 1.166 1.00 0.00 O ATOM 0 H GLY A 52 13.489 -13.690 2.793 1.00 0.00 H new ATOM 0 HA2 GLY A 52 13.511 -11.312 4.056 1.00 0.00 H new ATOM 0 HA3 GLY A 52 14.291 -11.593 2.512 1.00 0.00 H new ATOM 746 N LYS A 53 11.496 -10.040 3.163 1.00 0.00 N ATOM 747 CA LYS A 53 10.539 -9.065 2.655 1.00 0.00 C ATOM 748 C LYS A 53 9.888 -8.295 3.799 1.00 0.00 C ATOM 749 O LYS A 53 9.666 -8.839 4.881 1.00 0.00 O ATOM 750 CB LYS A 53 9.463 -9.763 1.819 1.00 0.00 C ATOM 751 CG LYS A 53 8.376 -10.419 2.652 1.00 0.00 C ATOM 752 CD LYS A 53 7.205 -10.862 1.791 1.00 0.00 C ATOM 753 CE LYS A 53 6.357 -9.678 1.352 1.00 0.00 C ATOM 754 NZ LYS A 53 5.411 -9.248 2.419 1.00 0.00 N ATOM 0 H LYS A 53 11.413 -10.231 4.161 1.00 0.00 H new ATOM 0 HA LYS A 53 11.079 -8.358 2.025 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.006 -9.035 1.149 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.935 -10.520 1.193 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.789 -11.280 3.177 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.026 -9.720 3.412 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.577 -11.390 0.913 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.588 -11.566 2.349 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.007 -8.845 1.085 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.797 -9.945 0.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.434 -9.359 2.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.553 -9.834 3.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.585 -8.250 2.656 1.00 0.00 H new ATOM 768 N VAL A 54 9.581 -7.025 3.553 1.00 0.00 N ATOM 769 CA VAL A 54 8.953 -6.180 4.562 1.00 0.00 C ATOM 770 C VAL A 54 7.552 -5.760 4.132 1.00 0.00 C ATOM 771 O VAL A 54 7.255 -5.680 2.940 1.00 0.00 O ATOM 772 CB VAL A 54 9.793 -4.919 4.841 1.00 0.00 C ATOM 773 CG1 VAL A 54 9.203 -4.130 6.000 1.00 0.00 C ATOM 774 CG2 VAL A 54 11.240 -5.295 5.122 1.00 0.00 C ATOM 0 H VAL A 54 9.757 -6.559 2.663 1.00 0.00 H new ATOM 0 HA VAL A 54 8.888 -6.772 5.475 1.00 0.00 H new ATOM 0 HB VAL A 54 9.772 -4.285 3.954 1.00 0.00 H new ATOM 0 HG11 VAL A 54 9.810 -3.243 6.182 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.185 -3.829 5.754 1.00 0.00 H new ATOM 0 HG13 VAL A 54 9.191 -4.752 6.895 1.00 0.00 H new ATOM 0 HG21 VAL A 54 11.819 -4.392 5.317 1.00 0.00 H new ATOM 0 HG22 VAL A 54 11.283 -5.949 5.993 1.00 0.00 H new ATOM 0 HG23 VAL A 54 11.656 -5.813 4.258 1.00 0.00 H new ATOM 784 N ASP A 55 6.695 -5.492 5.110 1.00 0.00 N ATOM 785 CA ASP A 55 5.324 -5.077 4.834 1.00 0.00 C ATOM 786 C ASP A 55 5.115 -3.611 5.199 1.00 0.00 C ATOM 787 O ASP A 55 5.278 -3.221 6.356 1.00 0.00 O ATOM 788 CB ASP A 55 4.338 -5.954 5.607 1.00 0.00 C ATOM 789 CG ASP A 55 4.089 -7.286 4.925 1.00 0.00 C ATOM 790 OD1 ASP A 55 4.246 -7.358 3.688 1.00 0.00 O ATOM 791 OD2 ASP A 55 3.740 -8.256 5.629 1.00 0.00 O ATOM 0 H ASP A 55 6.925 -5.555 6.102 1.00 0.00 H new ATOM 0 HA ASP A 55 5.143 -5.195 3.766 1.00 0.00 H new ATOM 0 HB2 ASP A 55 4.723 -6.130 6.611 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.392 -5.423 5.716 1.00 0.00 H new ATOM 796 N ILE A 56 4.755 -2.805 4.207 1.00 0.00 N ATOM 797 CA ILE A 56 4.524 -1.382 4.424 1.00 0.00 C ATOM 798 C ILE A 56 3.057 -1.104 4.733 1.00 0.00 C ATOM 799 O ILE A 56 2.181 -1.334 3.898 1.00 0.00 O ATOM 800 CB ILE A 56 4.946 -0.549 3.200 1.00 0.00 C ATOM 801 CG1 ILE A 56 6.401 -0.848 2.829 1.00 0.00 C ATOM 802 CG2 ILE A 56 4.759 0.935 3.478 1.00 0.00 C ATOM 803 CD1 ILE A 56 7.394 -0.413 3.884 1.00 0.00 C ATOM 0 H ILE A 56 4.617 -3.113 3.244 1.00 0.00 H new ATOM 0 HA ILE A 56 5.135 -1.091 5.279 1.00 0.00 H new ATOM 0 HB ILE A 56 4.312 -0.823 2.357 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.511 -1.919 2.657 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.638 -0.348 1.890 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.062 1.510 2.603 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.710 1.135 3.698 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.371 1.225 4.332 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.404 -0.656 3.555 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.312 0.663 4.040 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.183 -0.932 4.819 1.00 0.00 H new ATOM 815 N PHE A 57 2.795 -0.606 5.937 1.00 0.00 N ATOM 816 CA PHE A 57 1.433 -0.295 6.356 1.00 0.00 C ATOM 817 C PHE A 57 1.250 1.209 6.537 1.00 0.00 C ATOM 818 O PHE A 57 2.116 1.889 7.087 1.00 0.00 O ATOM 819 CB PHE A 57 1.100 -1.022 7.660 1.00 0.00 C ATOM 820 CG PHE A 57 1.266 -2.513 7.575 1.00 0.00 C ATOM 821 CD1 PHE A 57 0.254 -3.307 7.060 1.00 0.00 C ATOM 822 CD2 PHE A 57 2.434 -3.119 8.009 1.00 0.00 C ATOM 823 CE1 PHE A 57 0.404 -4.679 6.982 1.00 0.00 C ATOM 824 CE2 PHE A 57 2.590 -4.490 7.932 1.00 0.00 C ATOM 825 CZ PHE A 57 1.574 -5.271 7.417 1.00 0.00 C ATOM 0 H PHE A 57 3.508 -0.409 6.640 1.00 0.00 H new ATOM 0 HA PHE A 57 0.752 -0.634 5.575 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.740 -0.638 8.454 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.072 -0.794 7.941 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.662 -2.849 6.716 1.00 0.00 H new ATOM 0 HD2 PHE A 57 3.232 -2.513 8.412 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.393 -5.288 6.581 1.00 0.00 H new ATOM 0 HE2 PHE A 57 3.505 -4.950 8.274 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.694 -6.342 7.354 1.00 0.00 H new ATOM 835 N VAL A 58 0.116 1.721 6.071 1.00 0.00 N ATOM 836 CA VAL A 58 -0.183 3.144 6.181 1.00 0.00 C ATOM 837 C VAL A 58 -0.665 3.497 7.584 1.00 0.00 C ATOM 838 O VAL A 58 -1.733 3.060 8.014 1.00 0.00 O ATOM 839 CB VAL A 58 -1.252 3.575 5.159 1.00 0.00 C ATOM 840 CG1 VAL A 58 -1.528 5.066 5.271 1.00 0.00 C ATOM 841 CG2 VAL A 58 -0.817 3.209 3.748 1.00 0.00 C ATOM 0 H VAL A 58 -0.611 1.172 5.613 1.00 0.00 H new ATOM 0 HA VAL A 58 0.744 3.679 5.972 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.177 3.042 5.380 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.286 5.352 4.541 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.886 5.295 6.275 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.610 5.621 5.078 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.584 3.521 3.039 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.120 3.713 3.514 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.676 2.130 3.679 1.00 0.00 H new ATOM 851 N LYS A 59 0.129 4.291 8.294 1.00 0.00 N ATOM 852 CA LYS A 59 -0.216 4.706 9.649 1.00 0.00 C ATOM 853 C LYS A 59 -0.367 6.221 9.732 1.00 0.00 C ATOM 854 O LYS A 59 -0.148 6.931 8.751 1.00 0.00 O ATOM 855 CB LYS A 59 0.853 4.234 10.637 1.00 0.00 C ATOM 856 CG LYS A 59 1.097 2.735 10.598 1.00 0.00 C ATOM 857 CD LYS A 59 0.260 2.007 11.636 1.00 0.00 C ATOM 858 CE LYS A 59 0.773 2.261 13.045 1.00 0.00 C ATOM 859 NZ LYS A 59 -0.093 1.623 14.075 1.00 0.00 N ATOM 0 H LYS A 59 1.017 4.660 7.953 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.170 4.249 9.910 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.788 4.752 10.423 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.555 4.519 11.646 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.860 2.353 9.605 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.153 2.533 10.774 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.778 2.333 11.561 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.274 0.937 11.430 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.789 1.877 13.136 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.821 3.335 13.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.291 1.820 15.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.057 2.008 14.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.119 0.595 13.919 1.00 0.00 H new ATOM 873 N ASP A 60 -0.741 6.710 10.909 1.00 0.00 N ATOM 874 CA ASP A 60 -0.919 8.142 11.121 1.00 0.00 C ATOM 875 C ASP A 60 -1.718 8.765 9.981 1.00 0.00 C ATOM 876 O ASP A 60 -1.358 9.822 9.462 1.00 0.00 O ATOM 877 CB ASP A 60 0.440 8.833 11.246 1.00 0.00 C ATOM 878 CG ASP A 60 0.919 8.914 12.682 1.00 0.00 C ATOM 879 OD1 ASP A 60 0.524 9.866 13.386 1.00 0.00 O ATOM 880 OD2 ASP A 60 1.690 8.025 13.101 1.00 0.00 O ATOM 0 H ASP A 60 -0.927 6.136 11.731 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.475 8.281 12.048 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.175 8.292 10.651 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.372 9.839 10.831 1.00 0.00 H new ATOM 885 N VAL A 61 -2.804 8.103 9.595 1.00 0.00 N ATOM 886 CA VAL A 61 -3.654 8.591 8.516 1.00 0.00 C ATOM 887 C VAL A 61 -4.365 9.879 8.917 1.00 0.00 C ATOM 888 O VAL A 61 -5.500 9.850 9.392 1.00 0.00 O ATOM 889 CB VAL A 61 -4.706 7.542 8.111 1.00 0.00 C ATOM 890 CG1 VAL A 61 -5.666 8.117 7.081 1.00 0.00 C ATOM 891 CG2 VAL A 61 -4.029 6.287 7.579 1.00 0.00 C ATOM 0 H VAL A 61 -3.116 7.227 10.014 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.003 8.788 7.665 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.282 7.270 8.996 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.402 7.361 6.807 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.176 8.983 7.502 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.110 8.419 6.194 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.787 5.556 7.297 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.427 6.540 6.706 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.387 5.864 8.352 1.00 0.00 H new ATOM 901 N GLN A 62 -3.690 11.007 8.721 1.00 0.00 N ATOM 902 CA GLN A 62 -4.258 12.306 9.062 1.00 0.00 C ATOM 903 C GLN A 62 -5.764 12.321 8.822 1.00 0.00 C ATOM 904 O GLN A 62 -6.239 12.178 7.695 1.00 0.00 O ATOM 905 CB GLN A 62 -3.587 13.410 8.244 1.00 0.00 C ATOM 906 CG GLN A 62 -2.210 13.797 8.758 1.00 0.00 C ATOM 907 CD GLN A 62 -2.264 14.894 9.803 1.00 0.00 C ATOM 908 OE1 GLN A 62 -2.723 14.677 10.925 1.00 0.00 O ATOM 909 NE2 GLN A 62 -1.793 16.081 9.440 1.00 0.00 N ATOM 0 H GLN A 62 -2.750 11.048 8.328 1.00 0.00 H new ATOM 0 HA GLN A 62 -4.076 12.488 10.121 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -3.500 13.081 7.208 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -4.227 14.292 8.246 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.725 12.918 9.184 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.594 14.127 7.922 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.422 16.217 8.500 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.802 16.857 10.101 1.00 0.00 H new ATOM 918 N PRO A 63 -6.535 12.499 9.905 1.00 0.00 N ATOM 919 CA PRO A 63 -7.999 12.538 9.837 1.00 0.00 C ATOM 920 C PRO A 63 -8.514 13.795 9.143 1.00 0.00 C ATOM 921 O PRO A 63 -9.721 13.992 9.010 1.00 0.00 O ATOM 922 CB PRO A 63 -8.422 12.527 11.308 1.00 0.00 C ATOM 923 CG PRO A 63 -7.261 13.104 12.041 1.00 0.00 C ATOM 924 CD PRO A 63 -6.037 12.677 11.279 1.00 0.00 C ATOM 0 HA PRO A 63 -8.403 11.708 9.257 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -9.323 13.120 11.465 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -8.642 11.515 11.649 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -7.331 14.191 12.090 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -7.228 12.740 13.068 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.251 13.430 11.327 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.618 11.753 11.677 1.00 0.00 H new ATOM 932 N GLY A 64 -7.589 14.643 8.702 1.00 0.00 N ATOM 933 CA GLY A 64 -7.970 15.870 8.027 1.00 0.00 C ATOM 934 C GLY A 64 -6.911 16.349 7.055 1.00 0.00 C ATOM 935 O GLY A 64 -6.518 17.515 7.079 1.00 0.00 O ATOM 0 H GLY A 64 -6.584 14.502 8.800 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.906 15.711 7.491 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.156 16.647 8.769 1.00 0.00 H new ATOM 939 N SER A 65 -6.446 15.447 6.196 1.00 0.00 N ATOM 940 CA SER A 65 -5.422 15.783 5.214 1.00 0.00 C ATOM 941 C SER A 65 -5.663 15.041 3.903 1.00 0.00 C ATOM 942 O SER A 65 -6.612 14.267 3.779 1.00 0.00 O ATOM 943 CB SER A 65 -4.033 15.442 5.758 1.00 0.00 C ATOM 944 OG SER A 65 -3.021 16.107 5.023 1.00 0.00 O ATOM 0 H SER A 65 -6.762 14.478 6.161 1.00 0.00 H new ATOM 0 HA SER A 65 -5.476 16.854 5.021 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.970 15.726 6.808 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.874 14.365 5.709 1.00 0.00 H new ATOM 0 HG SER A 65 -2.143 15.874 5.391 1.00 0.00 H new ATOM 950 N VAL A 66 -4.796 15.284 2.925 1.00 0.00 N ATOM 951 CA VAL A 66 -4.912 14.640 1.622 1.00 0.00 C ATOM 952 C VAL A 66 -5.258 13.162 1.769 1.00 0.00 C ATOM 953 O VAL A 66 -5.967 12.595 0.938 1.00 0.00 O ATOM 954 CB VAL A 66 -3.609 14.773 0.812 1.00 0.00 C ATOM 955 CG1 VAL A 66 -2.448 14.138 1.561 1.00 0.00 C ATOM 956 CG2 VAL A 66 -3.773 14.147 -0.565 1.00 0.00 C ATOM 0 H VAL A 66 -4.005 15.923 3.011 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.716 15.147 1.088 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.389 15.832 0.681 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.536 14.242 0.973 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.319 14.636 2.522 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.656 13.081 1.725 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.843 14.250 -1.124 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.017 13.090 -0.457 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.576 14.652 -1.101 1.00 0.00 H new ATOM 1065 N LEU A 73 -8.104 6.379 1.799 1.00 0.00 N ATOM 1066 CA LEU A 73 -7.070 5.488 2.314 1.00 0.00 C ATOM 1067 C LEU A 73 -7.348 5.113 3.766 1.00 0.00 C ATOM 1068 O LEU A 73 -7.444 5.979 4.635 1.00 0.00 O ATOM 1069 CB LEU A 73 -5.696 6.151 2.201 1.00 0.00 C ATOM 1070 CG LEU A 73 -4.508 5.207 2.015 1.00 0.00 C ATOM 1071 CD1 LEU A 73 -3.290 5.972 1.521 1.00 0.00 C ATOM 1072 CD2 LEU A 73 -4.193 4.483 3.317 1.00 0.00 C ATOM 0 HA LEU A 73 -7.078 4.577 1.715 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.718 6.845 1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.526 6.744 3.100 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.774 4.463 1.264 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.455 5.283 1.395 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.519 6.444 0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.022 6.738 2.249 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.345 3.815 3.166 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.948 5.213 4.089 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.061 3.902 3.629 1.00 0.00 H new ATOM 1084 N LYS A 74 -7.474 3.815 4.022 1.00 0.00 N ATOM 1085 CA LYS A 74 -7.738 3.323 5.369 1.00 0.00 C ATOM 1086 C LYS A 74 -6.435 3.087 6.126 1.00 0.00 C ATOM 1087 O LYS A 74 -5.379 2.906 5.521 1.00 0.00 O ATOM 1088 CB LYS A 74 -8.549 2.026 5.310 1.00 0.00 C ATOM 1089 CG LYS A 74 -9.917 2.192 4.673 1.00 0.00 C ATOM 1090 CD LYS A 74 -10.859 2.977 5.570 1.00 0.00 C ATOM 1091 CE LYS A 74 -11.618 2.062 6.518 1.00 0.00 C ATOM 1092 NZ LYS A 74 -10.741 1.534 7.600 1.00 0.00 N ATOM 0 H LYS A 74 -7.397 3.085 3.314 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.314 4.081 5.900 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.985 1.280 4.750 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.673 1.639 6.321 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.814 2.704 3.716 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.344 1.211 4.466 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.291 3.708 6.145 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.567 3.535 4.957 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.452 2.608 6.960 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.044 1.230 5.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.316 1.319 8.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.269 0.667 7.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.025 2.247 7.845 1.00 0.00 H new ATOM 1106 N GLU A 75 -6.519 3.088 7.453 1.00 0.00 N ATOM 1107 CA GLU A 75 -5.346 2.873 8.292 1.00 0.00 C ATOM 1108 C GLU A 75 -4.924 1.407 8.272 1.00 0.00 C ATOM 1109 O GLU A 75 -5.743 0.517 8.045 1.00 0.00 O ATOM 1110 CB GLU A 75 -5.632 3.313 9.729 1.00 0.00 C ATOM 1111 CG GLU A 75 -4.389 3.733 10.496 1.00 0.00 C ATOM 1112 CD GLU A 75 -4.690 4.113 11.932 1.00 0.00 C ATOM 1113 OE1 GLU A 75 -5.051 5.284 12.174 1.00 0.00 O ATOM 1114 OE2 GLU A 75 -4.565 3.239 12.816 1.00 0.00 O ATOM 0 H GLU A 75 -7.386 3.235 7.969 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.529 3.474 7.891 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.336 4.145 9.712 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.118 2.495 10.261 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.666 2.917 10.484 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.923 4.579 9.990 1.00 0.00 H new ATOM 1121 N ASN A 76 -3.639 1.164 8.510 1.00 0.00 N ATOM 1122 CA ASN A 76 -3.107 -0.194 8.518 1.00 0.00 C ATOM 1123 C ASN A 76 -3.347 -0.881 7.177 1.00 0.00 C ATOM 1124 O ASN A 76 -3.723 -2.052 7.127 1.00 0.00 O ATOM 1125 CB ASN A 76 -3.748 -1.009 9.644 1.00 0.00 C ATOM 1126 CG ASN A 76 -3.436 -0.445 11.016 1.00 0.00 C ATOM 1127 OD1 ASN A 76 -2.338 0.058 11.258 1.00 0.00 O ATOM 1128 ND2 ASN A 76 -4.402 -0.526 11.923 1.00 0.00 N ATOM 0 H ASN A 76 -2.947 1.889 8.700 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.032 -0.135 8.688 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -4.828 -1.033 9.501 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -3.396 -2.039 9.589 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -4.250 -0.163 12.864 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -5.297 -0.951 11.679 1.00 0.00 H new ATOM 1135 N ASP A 77 -3.128 -0.144 6.094 1.00 0.00 N ATOM 1136 CA ASP A 77 -3.319 -0.682 4.752 1.00 0.00 C ATOM 1137 C ASP A 77 -1.989 -1.123 4.149 1.00 0.00 C ATOM 1138 O ASP A 77 -1.114 -0.300 3.884 1.00 0.00 O ATOM 1139 CB ASP A 77 -3.980 0.362 3.851 1.00 0.00 C ATOM 1140 CG ASP A 77 -5.494 0.325 3.937 1.00 0.00 C ATOM 1141 OD1 ASP A 77 -6.032 -0.636 4.526 1.00 0.00 O ATOM 1142 OD2 ASP A 77 -6.140 1.259 3.417 1.00 0.00 O ATOM 0 H ASP A 77 -2.818 0.827 6.119 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.971 -1.553 4.825 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.627 1.355 4.130 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -3.673 0.194 2.819 1.00 0.00 H new ATOM 1147 N GLN A 78 -1.845 -2.427 3.936 1.00 0.00 N ATOM 1148 CA GLN A 78 -0.621 -2.977 3.366 1.00 0.00 C ATOM 1149 C GLN A 78 -0.502 -2.624 1.888 1.00 0.00 C ATOM 1150 O GLN A 78 -1.313 -3.057 1.069 1.00 0.00 O ATOM 1151 CB GLN A 78 -0.588 -4.496 3.544 1.00 0.00 C ATOM 1152 CG GLN A 78 0.816 -5.063 3.677 1.00 0.00 C ATOM 1153 CD GLN A 78 0.880 -6.544 3.359 1.00 0.00 C ATOM 1154 OE1 GLN A 78 0.131 -7.344 3.920 1.00 0.00 O ATOM 1155 NE2 GLN A 78 1.778 -6.918 2.455 1.00 0.00 N ATOM 0 H GLN A 78 -2.560 -3.122 4.149 1.00 0.00 H new ATOM 0 HA GLN A 78 0.225 -2.538 3.895 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -1.164 -4.762 4.431 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.081 -4.964 2.692 1.00 0.00 H new ATOM 0 HG2 GLN A 78 1.487 -4.523 3.009 1.00 0.00 H new ATOM 0 HG3 GLN A 78 1.176 -4.897 4.692 1.00 0.00 H new ATOM 0 HE21 GLN A 78 2.379 -6.221 2.014 1.00 0.00 H new ATOM 0 HE22 GLN A 78 1.867 -7.902 2.201 1.00 0.00 H new ATOM 1164 N ILE A 79 0.513 -1.834 1.553 1.00 0.00 N ATOM 1165 CA ILE A 79 0.737 -1.423 0.173 1.00 0.00 C ATOM 1166 C ILE A 79 1.413 -2.531 -0.628 1.00 0.00 C ATOM 1167 O ILE A 79 2.562 -2.890 -0.366 1.00 0.00 O ATOM 1168 CB ILE A 79 1.602 -0.151 0.098 1.00 0.00 C ATOM 1169 CG1 ILE A 79 0.977 0.967 0.934 1.00 0.00 C ATOM 1170 CG2 ILE A 79 1.769 0.291 -1.348 1.00 0.00 C ATOM 1171 CD1 ILE A 79 1.675 2.300 0.779 1.00 0.00 C ATOM 0 H ILE A 79 1.193 -1.466 2.219 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.243 -1.213 -0.256 1.00 0.00 H new ATOM 0 HB ILE A 79 2.588 -0.375 0.505 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.070 1.079 0.651 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.994 0.677 1.985 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.383 1.191 -1.385 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.254 -0.502 -1.917 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.790 0.501 -1.780 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.178 3.045 1.400 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.715 2.204 1.089 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.635 2.613 -0.264 1.00 0.00 H new ATOM 1183 N LEU A 80 0.693 -3.069 -1.606 1.00 0.00 N ATOM 1184 CA LEU A 80 1.223 -4.137 -2.448 1.00 0.00 C ATOM 1185 C LEU A 80 2.134 -3.573 -3.533 1.00 0.00 C ATOM 1186 O LEU A 80 3.204 -4.116 -3.803 1.00 0.00 O ATOM 1187 CB LEU A 80 0.078 -4.926 -3.086 1.00 0.00 C ATOM 1188 CG LEU A 80 -0.964 -5.495 -2.122 1.00 0.00 C ATOM 1189 CD1 LEU A 80 -2.036 -6.257 -2.885 1.00 0.00 C ATOM 1190 CD2 LEU A 80 -0.300 -6.394 -1.089 1.00 0.00 C ATOM 0 H LEU A 80 -0.259 -2.784 -1.836 1.00 0.00 H new ATOM 0 HA LEU A 80 1.810 -4.806 -1.818 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.431 -4.277 -3.798 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.505 -5.751 -3.656 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.440 -4.665 -1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.769 -6.655 -2.183 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.532 -5.585 -3.585 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.577 -7.079 -3.435 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.056 -6.790 -0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.203 -7.219 -1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.430 -5.818 -0.521 1.00 0.00 H new ATOM 1202 N ALA A 81 1.701 -2.478 -4.152 1.00 0.00 N ATOM 1203 CA ALA A 81 2.480 -1.838 -5.205 1.00 0.00 C ATOM 1204 C ALA A 81 2.374 -0.319 -5.119 1.00 0.00 C ATOM 1205 O ALA A 81 1.383 0.216 -4.622 1.00 0.00 O ATOM 1206 CB ALA A 81 2.020 -2.324 -6.571 1.00 0.00 C ATOM 0 H ALA A 81 0.816 -2.017 -3.942 1.00 0.00 H new ATOM 0 HA ALA A 81 3.526 -2.112 -5.067 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.610 -1.838 -7.348 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.153 -3.404 -6.637 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.967 -2.079 -6.709 1.00 0.00 H new ATOM 1212 N ILE A 82 3.402 0.369 -5.605 1.00 0.00 N ATOM 1213 CA ILE A 82 3.424 1.826 -5.583 1.00 0.00 C ATOM 1214 C ILE A 82 3.799 2.391 -6.949 1.00 0.00 C ATOM 1215 O ILE A 82 4.950 2.304 -7.373 1.00 0.00 O ATOM 1216 CB ILE A 82 4.414 2.358 -4.531 1.00 0.00 C ATOM 1217 CG1 ILE A 82 3.989 1.917 -3.129 1.00 0.00 C ATOM 1218 CG2 ILE A 82 4.506 3.875 -4.609 1.00 0.00 C ATOM 1219 CD1 ILE A 82 5.087 2.041 -2.097 1.00 0.00 C ATOM 0 H ILE A 82 4.230 -0.059 -6.019 1.00 0.00 H new ATOM 0 HA ILE A 82 2.418 2.153 -5.321 1.00 0.00 H new ATOM 0 HB ILE A 82 5.400 1.942 -4.739 1.00 0.00 H new ATOM 0 HG12 ILE A 82 3.135 2.515 -2.812 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.655 0.880 -3.169 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.210 4.236 -3.859 1.00 0.00 H new ATOM 0 HG22 ILE A 82 4.851 4.168 -5.601 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.524 4.309 -4.423 1.00 0.00 H new ATOM 0 HD11 ILE A 82 4.714 1.711 -1.127 1.00 0.00 H new ATOM 0 HD12 ILE A 82 5.934 1.421 -2.390 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.406 3.081 -2.028 1.00 0.00 H new ATOM 1231 N ASN A 83 2.818 2.971 -7.633 1.00 0.00 N ATOM 1232 CA ASN A 83 3.044 3.552 -8.951 1.00 0.00 C ATOM 1233 C ASN A 83 3.474 2.482 -9.950 1.00 0.00 C ATOM 1234 O ASN A 83 4.429 2.669 -10.704 1.00 0.00 O ATOM 1235 CB ASN A 83 4.109 4.648 -8.872 1.00 0.00 C ATOM 1236 CG ASN A 83 3.697 5.790 -7.962 1.00 0.00 C ATOM 1237 OD1 ASN A 83 4.399 6.120 -7.006 1.00 0.00 O ATOM 1238 ND2 ASN A 83 2.554 6.398 -8.257 1.00 0.00 N ATOM 0 H ASN A 83 1.859 3.051 -7.296 1.00 0.00 H new ATOM 0 HA ASN A 83 2.106 3.989 -9.294 1.00 0.00 H new ATOM 0 HB2 ASN A 83 5.043 4.218 -8.511 1.00 0.00 H new ATOM 0 HB3 ASN A 83 4.303 5.036 -9.872 1.00 0.00 H new ATOM 0 HD21 ASN A 83 2.225 7.173 -7.681 1.00 0.00 H new ATOM 0 HD22 ASN A 83 2.005 6.090 -9.060 1.00 0.00 H new ATOM 1245 N HIS A 84 2.760 1.361 -9.952 1.00 0.00 N ATOM 1246 CA HIS A 84 3.066 0.261 -10.859 1.00 0.00 C ATOM 1247 C HIS A 84 4.378 -0.414 -10.472 1.00 0.00 C ATOM 1248 O HIS A 84 5.246 -0.639 -11.316 1.00 0.00 O ATOM 1249 CB HIS A 84 3.145 0.768 -12.300 1.00 0.00 C ATOM 1250 CG HIS A 84 2.746 -0.256 -13.318 1.00 0.00 C ATOM 1251 ND1 HIS A 84 3.458 -0.482 -14.477 1.00 0.00 N ATOM 1252 CD2 HIS A 84 1.703 -1.118 -13.345 1.00 0.00 C ATOM 1253 CE1 HIS A 84 2.869 -1.438 -15.173 1.00 0.00 C ATOM 1254 NE2 HIS A 84 1.801 -1.841 -14.508 1.00 0.00 N ATOM 0 H HIS A 84 1.965 1.191 -9.336 1.00 0.00 H new ATOM 0 HA HIS A 84 2.264 -0.474 -10.783 1.00 0.00 H new ATOM 0 HB2 HIS A 84 2.502 1.642 -12.405 1.00 0.00 H new ATOM 0 HB3 HIS A 84 4.164 1.095 -12.506 1.00 0.00 H new ATOM 0 HD2 HIS A 84 0.936 -1.218 -12.591 1.00 0.00 H new ATOM 0 HE1 HIS A 84 3.204 -1.825 -16.124 1.00 0.00 H new ATOM 0 HE2 HIS A 84 1.155 -2.570 -14.809 1.00 0.00 H new ATOM 1263 N THR A 85 4.517 -0.735 -9.189 1.00 0.00 N ATOM 1264 CA THR A 85 5.723 -1.383 -8.690 1.00 0.00 C ATOM 1265 C THR A 85 5.454 -2.109 -7.377 1.00 0.00 C ATOM 1266 O THR A 85 5.319 -1.497 -6.317 1.00 0.00 O ATOM 1267 CB THR A 85 6.860 -0.365 -8.477 1.00 0.00 C ATOM 1268 OG1 THR A 85 7.221 0.234 -9.726 1.00 0.00 O ATOM 1269 CG2 THR A 85 8.077 -1.035 -7.859 1.00 0.00 C ATOM 0 H THR A 85 3.809 -0.556 -8.477 1.00 0.00 H new ATOM 0 HA THR A 85 6.029 -2.106 -9.446 1.00 0.00 H new ATOM 0 HB THR A 85 6.504 0.407 -7.794 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.793 -0.256 -10.459 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.866 -0.297 -7.718 1.00 0.00 H new ATOM 0 HG22 THR A 85 7.805 -1.464 -6.895 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.433 -1.825 -8.521 1.00 0.00 H new ATOM 1277 N PRO A 86 5.374 -3.446 -7.445 1.00 0.00 N ATOM 1278 CA PRO A 86 5.121 -4.285 -6.269 1.00 0.00 C ATOM 1279 C PRO A 86 6.305 -4.307 -5.308 1.00 0.00 C ATOM 1280 O PRO A 86 7.461 -4.335 -5.731 1.00 0.00 O ATOM 1281 CB PRO A 86 4.893 -5.675 -6.868 1.00 0.00 C ATOM 1282 CG PRO A 86 5.625 -5.654 -8.165 1.00 0.00 C ATOM 1283 CD PRO A 86 5.524 -4.242 -8.674 1.00 0.00 C ATOM 0 HA PRO A 86 4.282 -3.917 -5.678 1.00 0.00 H new ATOM 0 HB2 PRO A 86 5.274 -6.457 -6.211 1.00 0.00 H new ATOM 0 HB3 PRO A 86 3.831 -5.873 -7.016 1.00 0.00 H new ATOM 0 HG2 PRO A 86 6.666 -5.947 -8.030 1.00 0.00 H new ATOM 0 HG3 PRO A 86 5.185 -6.357 -8.873 1.00 0.00 H new ATOM 0 HD2 PRO A 86 6.413 -3.952 -9.234 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.671 -4.115 -9.341 1.00 0.00 H new ATOM 1291 N LEU A 87 6.009 -4.294 -4.013 1.00 0.00 N ATOM 1292 CA LEU A 87 7.049 -4.313 -2.990 1.00 0.00 C ATOM 1293 C LEU A 87 7.402 -5.744 -2.599 1.00 0.00 C ATOM 1294 O LEU A 87 7.637 -6.038 -1.427 1.00 0.00 O ATOM 1295 CB LEU A 87 6.593 -3.532 -1.756 1.00 0.00 C ATOM 1296 CG LEU A 87 5.921 -2.185 -2.025 1.00 0.00 C ATOM 1297 CD1 LEU A 87 5.326 -1.621 -0.744 1.00 0.00 C ATOM 1298 CD2 LEU A 87 6.914 -1.205 -2.631 1.00 0.00 C ATOM 0 H LEU A 87 5.057 -4.270 -3.646 1.00 0.00 H new ATOM 0 HA LEU A 87 7.939 -3.839 -3.403 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.899 -4.155 -1.192 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.460 -3.362 -1.117 1.00 0.00 H new ATOM 0 HG LEU A 87 5.113 -2.340 -2.740 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.852 -0.662 -0.954 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.583 -2.315 -0.352 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.116 -1.481 -0.007 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.418 -0.252 -2.816 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.744 -1.054 -1.941 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.292 -1.605 -3.572 1.00 0.00 H new ATOM 1310 N ASP A 88 7.439 -6.630 -3.588 1.00 0.00 N ATOM 1311 CA ASP A 88 7.766 -8.031 -3.348 1.00 0.00 C ATOM 1312 C ASP A 88 9.201 -8.176 -2.849 1.00 0.00 C ATOM 1313 O ASP A 88 9.956 -7.205 -2.815 1.00 0.00 O ATOM 1314 CB ASP A 88 7.572 -8.849 -4.626 1.00 0.00 C ATOM 1315 CG ASP A 88 7.665 -10.342 -4.377 1.00 0.00 C ATOM 1316 OD1 ASP A 88 7.012 -10.828 -3.430 1.00 0.00 O ATOM 1317 OD2 ASP A 88 8.390 -11.024 -5.131 1.00 0.00 O ATOM 0 H ASP A 88 7.247 -6.403 -4.564 1.00 0.00 H new ATOM 0 HA ASP A 88 7.093 -8.409 -2.579 1.00 0.00 H new ATOM 0 HB2 ASP A 88 6.599 -8.616 -5.059 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.325 -8.558 -5.358 1.00 0.00 H new ATOM 1322 N GLN A 89 9.568 -9.394 -2.463 1.00 0.00 N ATOM 1323 CA GLN A 89 10.911 -9.664 -1.965 1.00 0.00 C ATOM 1324 C GLN A 89 11.948 -8.838 -2.719 1.00 0.00 C ATOM 1325 O GLN A 89 12.989 -8.480 -2.170 1.00 0.00 O ATOM 1326 CB GLN A 89 11.236 -11.154 -2.095 1.00 0.00 C ATOM 1327 CG GLN A 89 11.255 -11.649 -3.532 1.00 0.00 C ATOM 1328 CD GLN A 89 12.193 -12.823 -3.732 1.00 0.00 C ATOM 1329 OE1 GLN A 89 12.215 -13.759 -2.932 1.00 0.00 O ATOM 1330 NE2 GLN A 89 12.976 -12.780 -4.804 1.00 0.00 N ATOM 0 H GLN A 89 8.954 -10.208 -2.486 1.00 0.00 H new ATOM 0 HA GLN A 89 10.944 -9.382 -0.913 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.208 -11.346 -1.640 1.00 0.00 H new ATOM 0 HB3 GLN A 89 10.501 -11.728 -1.531 1.00 0.00 H new ATOM 0 HG2 GLN A 89 10.246 -11.940 -3.825 1.00 0.00 H new ATOM 0 HG3 GLN A 89 11.555 -10.833 -4.190 1.00 0.00 H new ATOM 0 HE21 GLN A 89 12.925 -11.985 -5.441 1.00 0.00 H new ATOM 0 HE22 GLN A 89 13.628 -13.542 -4.990 1.00 0.00 H new ATOM 1339 N ASN A 90 11.656 -8.540 -3.981 1.00 0.00 N ATOM 1340 CA ASN A 90 12.564 -7.756 -4.811 1.00 0.00 C ATOM 1341 C ASN A 90 12.916 -6.435 -4.134 1.00 0.00 C ATOM 1342 O ASN A 90 14.091 -6.117 -3.946 1.00 0.00 O ATOM 1343 CB ASN A 90 11.934 -7.489 -6.180 1.00 0.00 C ATOM 1344 CG ASN A 90 11.353 -8.743 -6.803 1.00 0.00 C ATOM 1345 OD1 ASN A 90 10.390 -9.315 -6.292 1.00 0.00 O ATOM 1346 ND2 ASN A 90 11.937 -9.176 -7.914 1.00 0.00 N ATOM 0 H ASN A 90 10.798 -8.829 -4.451 1.00 0.00 H new ATOM 0 HA ASN A 90 13.481 -8.330 -4.946 1.00 0.00 H new ATOM 0 HB2 ASN A 90 11.148 -6.741 -6.076 1.00 0.00 H new ATOM 0 HB3 ASN A 90 12.687 -7.070 -6.848 1.00 0.00 H new ATOM 0 HD21 ASN A 90 11.590 -10.015 -8.379 1.00 0.00 H new ATOM 0 HD22 ASN A 90 12.733 -8.670 -8.302 1.00 0.00 H new ATOM 1353 N ILE A 91 11.892 -5.671 -3.770 1.00 0.00 N ATOM 1354 CA ILE A 91 12.094 -4.386 -3.113 1.00 0.00 C ATOM 1355 C ILE A 91 11.929 -4.510 -1.602 1.00 0.00 C ATOM 1356 O ILE A 91 11.074 -5.252 -1.119 1.00 0.00 O ATOM 1357 CB ILE A 91 11.111 -3.324 -3.640 1.00 0.00 C ATOM 1358 CG1 ILE A 91 11.727 -2.566 -4.817 1.00 0.00 C ATOM 1359 CG2 ILE A 91 10.725 -2.361 -2.527 1.00 0.00 C ATOM 1360 CD1 ILE A 91 10.814 -1.511 -5.401 1.00 0.00 C ATOM 0 H ILE A 91 10.914 -5.920 -3.919 1.00 0.00 H new ATOM 0 HA ILE A 91 13.112 -4.071 -3.341 1.00 0.00 H new ATOM 0 HB ILE A 91 10.209 -3.827 -3.988 1.00 0.00 H new ATOM 0 HG12 ILE A 91 12.653 -2.093 -4.489 1.00 0.00 H new ATOM 0 HG13 ILE A 91 11.992 -3.278 -5.598 1.00 0.00 H new ATOM 0 HG21 ILE A 91 10.030 -1.616 -2.915 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.250 -2.913 -1.716 1.00 0.00 H new ATOM 0 HG23 ILE A 91 11.618 -1.862 -2.151 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.316 -1.014 -6.231 1.00 0.00 H new ATOM 0 HD12 ILE A 91 9.898 -1.981 -5.760 1.00 0.00 H new ATOM 0 HD13 ILE A 91 10.569 -0.777 -4.634 1.00 0.00 H new ATOM 1372 N SER A 92 12.753 -3.776 -0.861 1.00 0.00 N ATOM 1373 CA SER A 92 12.701 -3.805 0.596 1.00 0.00 C ATOM 1374 C SER A 92 11.819 -2.680 1.131 1.00 0.00 C ATOM 1375 O SER A 92 11.254 -1.900 0.363 1.00 0.00 O ATOM 1376 CB SER A 92 14.110 -3.685 1.181 1.00 0.00 C ATOM 1377 OG SER A 92 14.861 -4.864 0.948 1.00 0.00 O ATOM 0 H SER A 92 13.464 -3.154 -1.245 1.00 0.00 H new ATOM 0 HA SER A 92 12.269 -4.758 0.900 1.00 0.00 H new ATOM 0 HB2 SER A 92 14.620 -2.831 0.736 1.00 0.00 H new ATOM 0 HB3 SER A 92 14.047 -3.496 2.253 1.00 0.00 H new ATOM 0 HG SER A 92 15.758 -4.761 1.330 1.00 0.00 H new ATOM 1383 N HIS A 93 11.706 -2.602 2.453 1.00 0.00 N ATOM 1384 CA HIS A 93 10.894 -1.573 3.091 1.00 0.00 C ATOM 1385 C HIS A 93 11.431 -0.181 2.773 1.00 0.00 C ATOM 1386 O HIS A 93 10.665 0.743 2.502 1.00 0.00 O ATOM 1387 CB HIS A 93 10.861 -1.786 4.605 1.00 0.00 C ATOM 1388 CG HIS A 93 11.933 -1.041 5.338 1.00 0.00 C ATOM 1389 ND1 HIS A 93 13.098 -1.635 5.777 1.00 0.00 N ATOM 1390 CD2 HIS A 93 12.014 0.259 5.708 1.00 0.00 C ATOM 1391 CE1 HIS A 93 13.847 -0.734 6.386 1.00 0.00 C ATOM 1392 NE2 HIS A 93 13.213 0.424 6.357 1.00 0.00 N ATOM 0 H HIS A 93 12.167 -3.239 3.103 1.00 0.00 H new ATOM 0 HA HIS A 93 9.880 -1.650 2.698 1.00 0.00 H new ATOM 0 HB2 HIS A 93 9.888 -1.475 4.986 1.00 0.00 H new ATOM 0 HB3 HIS A 93 10.961 -2.851 4.816 1.00 0.00 H new ATOM 0 HD2 HIS A 93 11.273 1.024 5.526 1.00 0.00 H new ATOM 0 HE1 HIS A 93 14.814 -0.914 6.832 1.00 0.00 H new ATOM 0 HE2 HIS A 93 13.558 1.299 6.752 1.00 0.00 H new ATOM 1401 N GLN A 94 12.752 -0.040 2.809 1.00 0.00 N ATOM 1402 CA GLN A 94 13.391 1.240 2.525 1.00 0.00 C ATOM 1403 C GLN A 94 12.981 1.760 1.152 1.00 0.00 C ATOM 1404 O GLN A 94 12.336 2.803 1.041 1.00 0.00 O ATOM 1405 CB GLN A 94 14.913 1.101 2.598 1.00 0.00 C ATOM 1406 CG GLN A 94 15.473 1.270 4.001 1.00 0.00 C ATOM 1407 CD GLN A 94 15.825 2.710 4.319 1.00 0.00 C ATOM 1408 OE1 GLN A 94 16.963 3.139 4.129 1.00 0.00 O ATOM 1409 NE2 GLN A 94 14.847 3.465 4.806 1.00 0.00 N ATOM 0 H GLN A 94 13.400 -0.795 3.032 1.00 0.00 H new ATOM 0 HA GLN A 94 13.062 1.957 3.277 1.00 0.00 H new ATOM 0 HB2 GLN A 94 15.199 0.120 2.218 1.00 0.00 H new ATOM 0 HB3 GLN A 94 15.369 1.842 1.942 1.00 0.00 H new ATOM 0 HG2 GLN A 94 14.743 0.910 4.726 1.00 0.00 H new ATOM 0 HG3 GLN A 94 16.363 0.650 4.110 1.00 0.00 H new ATOM 0 HE21 GLN A 94 13.918 3.068 4.947 1.00 0.00 H new ATOM 0 HE22 GLN A 94 15.025 4.442 5.039 1.00 0.00 H new ATOM 1418 N GLN A 95 13.360 1.028 0.109 1.00 0.00 N ATOM 1419 CA GLN A 95 13.032 1.418 -1.257 1.00 0.00 C ATOM 1420 C GLN A 95 11.579 1.869 -1.360 1.00 0.00 C ATOM 1421 O GLN A 95 11.282 2.910 -1.946 1.00 0.00 O ATOM 1422 CB GLN A 95 13.287 0.254 -2.217 1.00 0.00 C ATOM 1423 CG GLN A 95 14.757 0.049 -2.547 1.00 0.00 C ATOM 1424 CD GLN A 95 15.440 -0.911 -1.592 1.00 0.00 C ATOM 1425 OE1 GLN A 95 15.648 -0.596 -0.420 1.00 0.00 O ATOM 1426 NE2 GLN A 95 15.793 -2.090 -2.090 1.00 0.00 N ATOM 0 H GLN A 95 13.894 0.162 0.184 1.00 0.00 H new ATOM 0 HA GLN A 95 13.673 2.255 -1.534 1.00 0.00 H new ATOM 0 HB2 GLN A 95 12.890 -0.662 -1.778 1.00 0.00 H new ATOM 0 HB3 GLN A 95 12.737 0.429 -3.141 1.00 0.00 H new ATOM 0 HG2 GLN A 95 14.848 -0.331 -3.565 1.00 0.00 H new ATOM 0 HG3 GLN A 95 15.270 1.011 -2.518 1.00 0.00 H new ATOM 0 HE21 GLN A 95 15.601 -2.309 -3.068 1.00 0.00 H new ATOM 0 HE22 GLN A 95 16.256 -2.777 -1.495 1.00 0.00 H new ATOM 1435 N ALA A 96 10.677 1.078 -0.788 1.00 0.00 N ATOM 1436 CA ALA A 96 9.255 1.397 -0.815 1.00 0.00 C ATOM 1437 C ALA A 96 9.008 2.839 -0.387 1.00 0.00 C ATOM 1438 O ALA A 96 8.232 3.559 -1.017 1.00 0.00 O ATOM 1439 CB ALA A 96 8.483 0.439 0.080 1.00 0.00 C ATOM 0 H ALA A 96 10.906 0.212 -0.300 1.00 0.00 H new ATOM 0 HA ALA A 96 8.901 1.284 -1.840 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.422 0.688 0.051 1.00 0.00 H new ATOM 0 HB2 ALA A 96 8.625 -0.583 -0.272 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.847 0.524 1.104 1.00 0.00 H new ATOM 1445 N ILE A 97 9.670 3.255 0.687 1.00 0.00 N ATOM 1446 CA ILE A 97 9.522 4.612 1.198 1.00 0.00 C ATOM 1447 C ILE A 97 9.933 5.642 0.151 1.00 0.00 C ATOM 1448 O ILE A 97 9.229 6.624 -0.079 1.00 0.00 O ATOM 1449 CB ILE A 97 10.360 4.829 2.471 1.00 0.00 C ATOM 1450 CG1 ILE A 97 10.004 3.781 3.528 1.00 0.00 C ATOM 1451 CG2 ILE A 97 10.143 6.233 3.016 1.00 0.00 C ATOM 1452 CD1 ILE A 97 10.766 3.946 4.824 1.00 0.00 C ATOM 0 H ILE A 97 10.314 2.671 1.220 1.00 0.00 H new ATOM 0 HA ILE A 97 8.467 4.744 1.440 1.00 0.00 H new ATOM 0 HB ILE A 97 11.414 4.718 2.217 1.00 0.00 H new ATOM 0 HG12 ILE A 97 8.935 3.834 3.735 1.00 0.00 H new ATOM 0 HG13 ILE A 97 10.201 2.788 3.124 1.00 0.00 H new ATOM 0 HG21 ILE A 97 10.742 6.371 3.916 1.00 0.00 H new ATOM 0 HG22 ILE A 97 10.442 6.965 2.266 1.00 0.00 H new ATOM 0 HG23 ILE A 97 9.089 6.371 3.257 1.00 0.00 H new ATOM 0 HD11 ILE A 97 10.463 3.169 5.526 1.00 0.00 H new ATOM 0 HD12 ILE A 97 11.835 3.863 4.630 1.00 0.00 H new ATOM 0 HD13 ILE A 97 10.550 4.925 5.251 1.00 0.00 H new ATOM 1464 N ALA A 98 11.078 5.408 -0.483 1.00 0.00 N ATOM 1465 CA ALA A 98 11.581 6.313 -1.509 1.00 0.00 C ATOM 1466 C ALA A 98 10.512 6.605 -2.556 1.00 0.00 C ATOM 1467 O ALA A 98 10.146 7.760 -2.780 1.00 0.00 O ATOM 1468 CB ALA A 98 12.821 5.727 -2.167 1.00 0.00 C ATOM 0 H ALA A 98 11.674 4.600 -0.304 1.00 0.00 H new ATOM 0 HA ALA A 98 11.848 7.254 -1.029 1.00 0.00 H new ATOM 0 HB1 ALA A 98 13.186 6.413 -2.931 1.00 0.00 H new ATOM 0 HB2 ALA A 98 13.595 5.576 -1.415 1.00 0.00 H new ATOM 0 HB3 ALA A 98 12.571 4.771 -2.627 1.00 0.00 H new ATOM 1474 N LEU A 99 10.014 5.553 -3.196 1.00 0.00 N ATOM 1475 CA LEU A 99 8.986 5.696 -4.221 1.00 0.00 C ATOM 1476 C LEU A 99 7.987 6.785 -3.842 1.00 0.00 C ATOM 1477 O LEU A 99 7.534 7.550 -4.694 1.00 0.00 O ATOM 1478 CB LEU A 99 8.256 4.368 -4.429 1.00 0.00 C ATOM 1479 CG LEU A 99 9.143 3.144 -4.659 1.00 0.00 C ATOM 1480 CD1 LEU A 99 8.295 1.887 -4.783 1.00 0.00 C ATOM 1481 CD2 LEU A 99 10.003 3.334 -5.899 1.00 0.00 C ATOM 0 H LEU A 99 10.306 4.591 -3.023 1.00 0.00 H new ATOM 0 HA LEU A 99 9.474 5.984 -5.152 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.630 4.180 -3.557 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.588 4.474 -5.284 1.00 0.00 H new ATOM 0 HG LEU A 99 9.802 3.030 -3.799 1.00 0.00 H new ATOM 0 HD11 LEU A 99 8.943 1.026 -4.946 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.723 1.742 -3.867 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.611 1.991 -5.625 1.00 0.00 H new ATOM 0 HD21 LEU A 99 10.628 2.453 -6.047 1.00 0.00 H new ATOM 0 HD22 LEU A 99 9.361 3.474 -6.769 1.00 0.00 H new ATOM 0 HD23 LEU A 99 10.637 4.211 -5.771 1.00 0.00 H new ATOM 1493 N LEU A 100 7.650 6.850 -2.559 1.00 0.00 N ATOM 1494 CA LEU A 100 6.706 7.847 -2.065 1.00 0.00 C ATOM 1495 C LEU A 100 7.364 9.220 -1.972 1.00 0.00 C ATOM 1496 O LEU A 100 6.881 10.190 -2.555 1.00 0.00 O ATOM 1497 CB LEU A 100 6.166 7.433 -0.695 1.00 0.00 C ATOM 1498 CG LEU A 100 5.604 6.014 -0.596 1.00 0.00 C ATOM 1499 CD1 LEU A 100 5.590 5.545 0.850 1.00 0.00 C ATOM 1500 CD2 LEU A 100 4.205 5.952 -1.192 1.00 0.00 C ATOM 0 H LEU A 100 8.016 6.224 -1.842 1.00 0.00 H new ATOM 0 HA LEU A 100 5.878 7.908 -2.771 1.00 0.00 H new ATOM 0 HB2 LEU A 100 6.968 7.536 0.036 1.00 0.00 H new ATOM 0 HB3 LEU A 100 5.382 8.134 -0.409 1.00 0.00 H new ATOM 0 HG LEU A 100 6.251 5.347 -1.166 1.00 0.00 H new ATOM 0 HD11 LEU A 100 5.187 4.534 0.901 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.606 5.551 1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.967 6.214 1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.821 4.935 -1.113 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.548 6.631 -0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.243 6.245 -2.241 1.00 0.00 H new ATOM 1512 N GLN A 101 8.468 9.292 -1.236 1.00 0.00 N ATOM 1513 CA GLN A 101 9.192 10.546 -1.068 1.00 0.00 C ATOM 1514 C GLN A 101 9.670 11.083 -2.413 1.00 0.00 C ATOM 1515 O GLN A 101 10.047 12.249 -2.527 1.00 0.00 O ATOM 1516 CB GLN A 101 10.385 10.349 -0.131 1.00 0.00 C ATOM 1517 CG GLN A 101 10.002 9.809 1.237 1.00 0.00 C ATOM 1518 CD GLN A 101 11.027 10.139 2.303 1.00 0.00 C ATOM 1519 OE1 GLN A 101 12.050 10.765 2.025 1.00 0.00 O ATOM 1520 NE2 GLN A 101 10.759 9.718 3.534 1.00 0.00 N ATOM 0 H GLN A 101 8.880 8.498 -0.747 1.00 0.00 H new ATOM 0 HA GLN A 101 8.510 11.274 -0.628 1.00 0.00 H new ATOM 0 HB2 GLN A 101 11.093 9.664 -0.597 1.00 0.00 H new ATOM 0 HB3 GLN A 101 10.899 11.302 -0.005 1.00 0.00 H new ATOM 0 HG2 GLN A 101 9.036 10.220 1.528 1.00 0.00 H new ATOM 0 HG3 GLN A 101 9.883 8.727 1.176 1.00 0.00 H new ATOM 0 HE21 GLN A 101 9.899 9.202 3.721 1.00 0.00 H new ATOM 0 HE22 GLN A 101 11.413 9.911 4.293 1.00 0.00 H new ATOM 1529 N GLN A 102 9.652 10.225 -3.428 1.00 0.00 N ATOM 1530 CA GLN A 102 10.085 10.614 -4.765 1.00 0.00 C ATOM 1531 C GLN A 102 8.886 10.900 -5.663 1.00 0.00 C ATOM 1532 O GLN A 102 8.669 12.036 -6.086 1.00 0.00 O ATOM 1533 CB GLN A 102 10.951 9.516 -5.383 1.00 0.00 C ATOM 1534 CG GLN A 102 12.278 9.314 -4.670 1.00 0.00 C ATOM 1535 CD GLN A 102 13.338 8.709 -5.570 1.00 0.00 C ATOM 1536 OE1 GLN A 102 14.286 9.383 -5.973 1.00 0.00 O ATOM 1537 NE2 GLN A 102 13.182 7.429 -5.891 1.00 0.00 N ATOM 0 H GLN A 102 9.342 9.256 -3.350 1.00 0.00 H new ATOM 0 HA GLN A 102 10.676 11.526 -4.678 1.00 0.00 H new ATOM 0 HB2 GLN A 102 10.396 8.578 -5.372 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.143 9.761 -6.428 1.00 0.00 H new ATOM 0 HG2 GLN A 102 12.632 10.273 -4.291 1.00 0.00 H new ATOM 0 HG3 GLN A 102 12.127 8.666 -3.806 1.00 0.00 H new ATOM 0 HE21 GLN A 102 12.381 6.908 -5.534 1.00 0.00 H new ATOM 0 HE22 GLN A 102 13.863 6.968 -6.494 1.00 0.00 H new ATOM 1546 N THR A 103 8.109 9.861 -5.953 1.00 0.00 N ATOM 1547 CA THR A 103 6.933 9.999 -6.803 1.00 0.00 C ATOM 1548 C THR A 103 6.232 11.330 -6.558 1.00 0.00 C ATOM 1549 O THR A 103 5.583 11.523 -5.529 1.00 0.00 O ATOM 1550 CB THR A 103 5.932 8.853 -6.567 1.00 0.00 C ATOM 1551 OG1 THR A 103 6.409 7.650 -7.180 1.00 0.00 O ATOM 1552 CG2 THR A 103 4.563 9.206 -7.129 1.00 0.00 C ATOM 0 H THR A 103 8.273 8.914 -5.611 1.00 0.00 H new ATOM 0 HA THR A 103 7.282 9.959 -7.835 1.00 0.00 H new ATOM 0 HB THR A 103 5.838 8.699 -5.492 1.00 0.00 H new ATOM 0 HG1 THR A 103 5.893 6.886 -6.847 1.00 0.00 H new ATOM 0 HG21 THR A 103 3.873 8.381 -6.950 1.00 0.00 H new ATOM 0 HG22 THR A 103 4.189 10.105 -6.639 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.645 9.385 -8.201 1.00 0.00 H new ATOM 1560 N THR A 104 6.365 12.248 -7.511 1.00 0.00 N ATOM 1561 CA THR A 104 5.744 13.562 -7.398 1.00 0.00 C ATOM 1562 C THR A 104 4.323 13.547 -7.951 1.00 0.00 C ATOM 1563 O THR A 104 3.957 12.665 -8.727 1.00 0.00 O ATOM 1564 CB THR A 104 6.561 14.635 -8.142 1.00 0.00 C ATOM 1565 OG1 THR A 104 7.945 14.527 -7.791 1.00 0.00 O ATOM 1566 CG2 THR A 104 6.054 16.029 -7.807 1.00 0.00 C ATOM 0 H THR A 104 6.897 12.105 -8.369 1.00 0.00 H new ATOM 0 HA THR A 104 5.716 13.809 -6.337 1.00 0.00 H new ATOM 0 HB THR A 104 6.445 14.472 -9.213 1.00 0.00 H new ATOM 0 HG1 THR A 104 8.458 15.211 -8.269 1.00 0.00 H new ATOM 0 HG21 THR A 104 6.646 16.770 -8.344 1.00 0.00 H new ATOM 0 HG22 THR A 104 5.008 16.117 -8.102 1.00 0.00 H new ATOM 0 HG23 THR A 104 6.144 16.201 -6.734 1.00 0.00 H new ATOM 1574 N GLY A 105 3.526 14.532 -7.547 1.00 0.00 N ATOM 1575 CA GLY A 105 2.154 14.613 -8.012 1.00 0.00 C ATOM 1576 C GLY A 105 1.347 13.380 -7.658 1.00 0.00 C ATOM 1577 O GLY A 105 1.701 12.641 -6.740 1.00 0.00 O ATOM 0 H GLY A 105 3.806 15.275 -6.906 1.00 0.00 H new ATOM 0 HA2 GLY A 105 1.678 15.492 -7.577 1.00 0.00 H new ATOM 0 HA3 GLY A 105 2.148 14.749 -9.093 1.00 0.00 H new ATOM 1581 N SER A 106 0.258 13.158 -8.387 1.00 0.00 N ATOM 1582 CA SER A 106 -0.605 12.008 -8.142 1.00 0.00 C ATOM 1583 C SER A 106 0.206 10.818 -7.638 1.00 0.00 C ATOM 1584 O SER A 106 1.356 10.624 -8.033 1.00 0.00 O ATOM 1585 CB SER A 106 -1.356 11.626 -9.418 1.00 0.00 C ATOM 1586 OG SER A 106 -2.599 12.302 -9.502 1.00 0.00 O ATOM 0 H SER A 106 -0.048 13.759 -9.152 1.00 0.00 H new ATOM 0 HA SER A 106 -1.327 12.284 -7.374 1.00 0.00 H new ATOM 0 HB2 SER A 106 -0.747 11.869 -10.289 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.523 10.549 -9.437 1.00 0.00 H new ATOM 0 HG SER A 106 -3.058 12.041 -10.328 1.00 0.00 H new ATOM 1592 N LEU A 107 -0.402 10.023 -6.765 1.00 0.00 N ATOM 1593 CA LEU A 107 0.262 8.851 -6.206 1.00 0.00 C ATOM 1594 C LEU A 107 -0.703 7.674 -6.107 1.00 0.00 C ATOM 1595 O LEU A 107 -1.580 7.648 -5.243 1.00 0.00 O ATOM 1596 CB LEU A 107 0.834 9.174 -4.825 1.00 0.00 C ATOM 1597 CG LEU A 107 1.573 8.035 -4.121 1.00 0.00 C ATOM 1598 CD1 LEU A 107 2.836 7.666 -4.884 1.00 0.00 C ATOM 1599 CD2 LEU A 107 1.907 8.421 -2.687 1.00 0.00 C ATOM 0 H LEU A 107 -1.354 10.169 -6.429 1.00 0.00 H new ATOM 0 HA LEU A 107 1.077 8.573 -6.874 1.00 0.00 H new ATOM 0 HB2 LEU A 107 1.518 10.017 -4.925 1.00 0.00 H new ATOM 0 HB3 LEU A 107 0.016 9.502 -4.183 1.00 0.00 H new ATOM 0 HG LEU A 107 0.919 7.163 -4.098 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.349 6.854 -4.368 1.00 0.00 H new ATOM 0 HD12 LEU A 107 2.572 7.346 -5.892 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.494 8.533 -4.939 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.433 7.599 -2.202 1.00 0.00 H new ATOM 0 HD22 LEU A 107 2.542 9.307 -2.687 1.00 0.00 H new ATOM 0 HD23 LEU A 107 0.986 8.634 -2.144 1.00 0.00 H new ATOM 1611 N ARG A 108 -0.535 6.700 -6.996 1.00 0.00 N ATOM 1612 CA ARG A 108 -1.390 5.520 -7.008 1.00 0.00 C ATOM 1613 C ARG A 108 -0.792 4.406 -6.154 1.00 0.00 C ATOM 1614 O ARG A 108 0.262 3.858 -6.479 1.00 0.00 O ATOM 1615 CB ARG A 108 -1.593 5.025 -8.441 1.00 0.00 C ATOM 1616 CG ARG A 108 -2.879 4.239 -8.638 1.00 0.00 C ATOM 1617 CD ARG A 108 -2.661 2.750 -8.417 1.00 0.00 C ATOM 1618 NE ARG A 108 -3.562 1.939 -9.231 1.00 0.00 N ATOM 1619 CZ ARG A 108 -3.388 1.726 -10.531 1.00 0.00 C ATOM 1620 NH1 ARG A 108 -2.352 2.263 -11.161 1.00 0.00 N ATOM 1621 NH2 ARG A 108 -4.251 0.976 -11.203 1.00 0.00 N ATOM 0 H ARG A 108 0.186 6.705 -7.717 1.00 0.00 H new ATOM 0 HA ARG A 108 -2.356 5.799 -6.587 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -1.594 5.881 -9.115 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -0.747 4.398 -8.723 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -3.639 4.603 -7.947 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -3.258 4.407 -9.646 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -1.628 2.495 -8.656 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -2.812 2.514 -7.364 1.00 0.00 H new ATOM 0 HE ARG A 108 -4.369 1.512 -8.777 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -1.687 2.841 -10.648 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -2.221 2.098 -12.159 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -5.049 0.562 -10.722 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -4.116 0.813 -12.201 1.00 0.00 H new ATOM 1635 N LEU A 109 -1.470 4.077 -5.060 1.00 0.00 N ATOM 1636 CA LEU A 109 -1.006 3.029 -4.158 1.00 0.00 C ATOM 1637 C LEU A 109 -2.000 1.872 -4.110 1.00 0.00 C ATOM 1638 O LEU A 109 -3.147 2.044 -3.697 1.00 0.00 O ATOM 1639 CB LEU A 109 -0.796 3.594 -2.752 1.00 0.00 C ATOM 1640 CG LEU A 109 0.173 4.772 -2.641 1.00 0.00 C ATOM 1641 CD1 LEU A 109 0.266 5.252 -1.201 1.00 0.00 C ATOM 1642 CD2 LEU A 109 1.547 4.384 -3.165 1.00 0.00 C ATOM 0 H LEU A 109 -2.343 4.521 -4.776 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.056 2.653 -4.537 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.764 3.907 -2.359 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.436 2.791 -2.109 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.209 5.590 -3.252 1.00 0.00 H new ATOM 0 HD11 LEU A 109 0.960 6.090 -1.141 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -0.719 5.571 -0.859 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.624 4.439 -0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.223 5.235 -3.078 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.937 3.550 -2.582 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.467 4.089 -4.211 1.00 0.00 H new ATOM 1654 N ILE A 110 -1.550 0.695 -4.532 1.00 0.00 N ATOM 1655 CA ILE A 110 -2.399 -0.490 -4.534 1.00 0.00 C ATOM 1656 C ILE A 110 -2.339 -1.211 -3.192 1.00 0.00 C ATOM 1657 O ILE A 110 -1.383 -1.931 -2.904 1.00 0.00 O ATOM 1658 CB ILE A 110 -1.994 -1.471 -5.650 1.00 0.00 C ATOM 1659 CG1 ILE A 110 -2.132 -0.805 -7.020 1.00 0.00 C ATOM 1660 CG2 ILE A 110 -2.842 -2.732 -5.580 1.00 0.00 C ATOM 1661 CD1 ILE A 110 -1.422 -1.549 -8.129 1.00 0.00 C ATOM 0 H ILE A 110 -0.603 0.537 -4.877 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.418 -0.148 -4.715 1.00 0.00 H new ATOM 0 HB ILE A 110 -0.950 -1.750 -5.507 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -3.190 -0.721 -7.269 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.737 0.209 -6.963 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -2.544 -3.415 -6.375 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -2.697 -3.215 -4.613 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.893 -2.471 -5.701 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.563 -1.019 -9.071 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -0.357 -1.610 -7.903 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.833 -2.555 -8.214 1.00 0.00 H new ATOM 1673 N VAL A 111 -3.368 -1.014 -2.373 1.00 0.00 N ATOM 1674 CA VAL A 111 -3.434 -1.647 -1.062 1.00 0.00 C ATOM 1675 C VAL A 111 -4.478 -2.759 -1.041 1.00 0.00 C ATOM 1676 O VAL A 111 -5.431 -2.744 -1.819 1.00 0.00 O ATOM 1677 CB VAL A 111 -3.768 -0.624 0.040 1.00 0.00 C ATOM 1678 CG1 VAL A 111 -2.722 0.480 0.077 1.00 0.00 C ATOM 1679 CG2 VAL A 111 -5.158 -0.046 -0.174 1.00 0.00 C ATOM 0 H VAL A 111 -4.167 -0.421 -2.595 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.450 -2.072 -0.866 1.00 0.00 H new ATOM 0 HB VAL A 111 -3.757 -1.135 1.003 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -2.974 1.194 0.861 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -1.743 0.047 0.281 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -2.699 0.992 -0.885 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -5.378 0.675 0.614 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -5.200 0.451 -1.143 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.894 -0.849 -0.146 1.00 0.00 H new ATOM 1689 N ALA A 112 -4.291 -3.722 -0.144 1.00 0.00 N ATOM 1690 CA ALA A 112 -5.217 -4.840 -0.019 1.00 0.00 C ATOM 1691 C ALA A 112 -6.251 -4.577 1.070 1.00 0.00 C ATOM 1692 O ALA A 112 -6.062 -3.708 1.922 1.00 0.00 O ATOM 1693 CB ALA A 112 -4.457 -6.125 0.271 1.00 0.00 C ATOM 0 H ALA A 112 -3.506 -3.750 0.507 1.00 0.00 H new ATOM 0 HA ALA A 112 -5.745 -4.950 -0.966 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -5.161 -6.952 0.362 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -3.762 -6.328 -0.544 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -3.902 -6.017 1.203 1.00 0.00 H new ATOM 1699 N ARG A 113 -7.344 -5.333 1.037 1.00 0.00 N ATOM 1700 CA ARG A 113 -8.409 -5.180 2.021 1.00 0.00 C ATOM 1701 C ARG A 113 -8.840 -6.536 2.571 1.00 0.00 C ATOM 1702 O ARG A 113 -8.707 -7.559 1.900 1.00 0.00 O ATOM 1703 CB ARG A 113 -9.609 -4.465 1.398 1.00 0.00 C ATOM 1704 CG ARG A 113 -10.376 -3.593 2.379 1.00 0.00 C ATOM 1705 CD ARG A 113 -11.122 -2.477 1.667 1.00 0.00 C ATOM 1706 NE ARG A 113 -10.218 -1.591 0.938 1.00 0.00 N ATOM 1707 CZ ARG A 113 -9.548 -0.595 1.507 1.00 0.00 C ATOM 1708 NH1 ARG A 113 -9.680 -0.359 2.805 1.00 0.00 N ATOM 1709 NH2 ARG A 113 -8.743 0.167 0.778 1.00 0.00 N ATOM 0 H ARG A 113 -7.515 -6.057 0.340 1.00 0.00 H new ATOM 0 HA ARG A 113 -8.025 -4.579 2.845 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -9.263 -3.847 0.570 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -10.287 -5.209 0.979 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -11.083 -4.207 2.937 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -9.684 -3.165 3.104 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -11.844 -2.909 0.973 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -11.688 -1.897 2.396 1.00 0.00 H new ATOM 0 HE ARG A 113 -10.094 -1.746 -0.063 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -10.297 -0.943 3.369 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -9.164 0.406 3.239 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -8.638 -0.012 -0.221 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -8.229 0.931 1.216 1.00 0.00 H new ATOM 1723 N GLU A 114 -9.355 -6.535 3.797 1.00 0.00 N ATOM 1724 CA GLU A 114 -9.803 -7.766 4.437 1.00 0.00 C ATOM 1725 C GLU A 114 -11.320 -7.772 4.603 1.00 0.00 C ATOM 1726 O GLU A 114 -11.926 -6.791 5.036 1.00 0.00 O ATOM 1727 CB GLU A 114 -9.129 -7.934 5.800 1.00 0.00 C ATOM 1728 CG GLU A 114 -9.654 -9.116 6.597 1.00 0.00 C ATOM 1729 CD GLU A 114 -8.997 -9.239 7.959 1.00 0.00 C ATOM 1730 OE1 GLU A 114 -7.787 -8.949 8.063 1.00 0.00 O ATOM 1731 OE2 GLU A 114 -9.694 -9.626 8.920 1.00 0.00 O ATOM 0 H GLU A 114 -9.472 -5.696 4.366 1.00 0.00 H new ATOM 0 HA GLU A 114 -9.522 -8.601 3.796 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -8.056 -8.054 5.653 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -9.271 -7.023 6.381 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -10.732 -9.013 6.725 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -9.486 -10.033 6.033 1.00 0.00 H new