USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 615 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 74 GLN : amide:sc= -3.8! C(o=-4!,f=-6.4!) USER MOD Set 1.2: A 76 ASN :FLIP amide:sc= -0.219 F(o=-6.4!,f=-4) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0427 K(o=-0.043,f=-0.84) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -14:sc= 0.789 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN :FLIP amide:sc= -0.724 F(o=-3.3!,f=-0.72) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 85:sc= -4.32! USER MOD Single : A 44 TYR OH : rot 180:sc= -2.37! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -22:sc= 0.14 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0774 USER MOD Single : A 56 ASN : amide:sc= -0.0395 X(o=-0.039,f=-0.013) USER MOD Single : A 60 THR OG1 : rot -37:sc= 0.867 USER MOD Single : A 62 ASN : amide:sc= -0.167 K(o=-0.17,f=-3.3!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0673 USER MOD Single : A 70 GLN : amide:sc= -2.55! C(o=-2.6!,f=-6.5!) USER MOD Single : A 75 TYR OH : rot 130:sc= -0.0201 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 ASN :FLIP amide:sc=-0.00926 F(o=-1,f=-0.0093) USER MOD Single : A 86 GLN : amide:sc= -1.89! C(o=-1.9!,f=-12!) USER MOD Single : A 88 SER OG : rot 103:sc= 1.06 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 GLN :FLIP amide:sc= -0.273 F(o=-1.1,f=-0.27) USER MOD Single : A 97 THR OG1 : rot -166:sc= 1.22 USER MOD Single : A 98 THR OG1 : rot 121:sc= 0.0705 USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 12 2.279 -12.136 3.988 1.00 0.00 N ATOM 142 CA ALA A 12 2.366 -10.766 3.504 1.00 0.00 C ATOM 143 C ALA A 12 3.796 -10.250 3.627 1.00 0.00 C ATOM 144 O ALA A 12 4.609 -10.837 4.345 1.00 0.00 O ATOM 145 CB ALA A 12 1.428 -9.881 4.307 1.00 0.00 C ATOM 0 HA ALA A 12 2.076 -10.743 2.454 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.495 -8.856 3.943 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.405 -10.240 4.196 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.711 -9.912 5.359 1.00 0.00 H new ATOM 151 N PRO A 13 4.132 -9.148 2.933 1.00 0.00 N ATOM 152 CA PRO A 13 5.445 -8.518 3.050 1.00 0.00 C ATOM 153 C PRO A 13 5.612 -7.812 4.391 1.00 0.00 C ATOM 154 O PRO A 13 4.727 -7.066 4.815 1.00 0.00 O ATOM 155 CB PRO A 13 5.459 -7.485 1.911 1.00 0.00 C ATOM 156 CG PRO A 13 4.293 -7.828 1.051 1.00 0.00 C ATOM 157 CD PRO A 13 3.283 -8.424 1.975 1.00 0.00 C ATOM 0 HA PRO A 13 6.253 -9.247 2.989 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.375 -6.470 2.300 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.391 -7.534 1.347 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.897 -6.942 0.554 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.575 -8.533 0.269 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.677 -7.661 2.463 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.597 -9.091 1.453 1.00 0.00 H new ATOM 165 N PRO A 14 6.727 -8.078 5.096 1.00 0.00 N ATOM 166 CA PRO A 14 7.086 -7.359 6.322 1.00 0.00 C ATOM 167 C PRO A 14 6.986 -5.849 6.157 1.00 0.00 C ATOM 168 O PRO A 14 7.111 -5.333 5.044 1.00 0.00 O ATOM 169 CB PRO A 14 8.534 -7.779 6.561 1.00 0.00 C ATOM 170 CG PRO A 14 8.635 -9.132 5.954 1.00 0.00 C ATOM 171 CD PRO A 14 7.711 -9.126 4.768 1.00 0.00 C ATOM 0 HA PRO A 14 6.417 -7.596 7.149 1.00 0.00 H new ATOM 0 HB2 PRO A 14 9.231 -7.082 6.096 1.00 0.00 H new ATOM 0 HB3 PRO A 14 8.770 -7.803 7.625 1.00 0.00 H new ATOM 0 HG2 PRO A 14 9.659 -9.347 5.649 1.00 0.00 H new ATOM 0 HG3 PRO A 14 8.347 -9.903 6.669 1.00 0.00 H new ATOM 0 HD2 PRO A 14 8.245 -8.899 3.845 1.00 0.00 H new ATOM 0 HD3 PRO A 14 7.232 -10.095 4.629 1.00 0.00 H new ATOM 179 N ASP A 15 6.777 -5.171 7.290 1.00 0.00 N ATOM 180 CA ASP A 15 6.484 -3.735 7.340 1.00 0.00 C ATOM 181 C ASP A 15 7.300 -2.933 6.327 1.00 0.00 C ATOM 182 O ASP A 15 8.506 -2.738 6.497 1.00 0.00 O ATOM 183 CB ASP A 15 6.760 -3.215 8.752 1.00 0.00 C ATOM 184 CG ASP A 15 6.419 -1.749 8.923 1.00 0.00 C ATOM 185 OD1 ASP A 15 5.236 -1.436 9.171 1.00 0.00 O ATOM 186 OD2 ASP A 15 7.335 -0.905 8.838 1.00 0.00 O ATOM 0 H ASP A 15 6.807 -5.610 8.210 1.00 0.00 H new ATOM 0 HA ASP A 15 5.434 -3.603 7.080 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.184 -3.802 9.468 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.813 -3.367 8.989 1.00 0.00 H new ATOM 191 N PRO A 16 6.641 -2.474 5.249 1.00 0.00 N ATOM 192 CA PRO A 16 7.272 -1.661 4.199 1.00 0.00 C ATOM 193 C PRO A 16 7.651 -0.267 4.683 1.00 0.00 C ATOM 194 O PRO A 16 6.993 0.313 5.549 1.00 0.00 O ATOM 195 CB PRO A 16 6.187 -1.575 3.108 1.00 0.00 C ATOM 196 CG PRO A 16 5.260 -2.688 3.432 1.00 0.00 C ATOM 197 CD PRO A 16 5.236 -2.748 4.929 1.00 0.00 C ATOM 0 HA PRO A 16 8.208 -2.103 3.856 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.677 -0.612 3.128 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.614 -1.689 2.111 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.265 -2.503 3.028 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.608 -3.629 3.005 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.564 -2.006 5.360 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.913 -3.722 5.296 1.00 0.00 H new ATOM 205 N THR A 17 8.707 0.263 4.103 1.00 0.00 N ATOM 206 CA THR A 17 9.226 1.564 4.482 1.00 0.00 C ATOM 207 C THR A 17 8.912 2.599 3.423 1.00 0.00 C ATOM 208 O THR A 17 9.075 2.364 2.225 1.00 0.00 O ATOM 209 CB THR A 17 10.750 1.497 4.707 1.00 0.00 C ATOM 210 OG1 THR A 17 11.061 0.409 5.588 1.00 0.00 O ATOM 211 CG2 THR A 17 11.284 2.795 5.297 1.00 0.00 C ATOM 0 H THR A 17 9.231 -0.194 3.356 1.00 0.00 H new ATOM 0 HA THR A 17 8.742 1.857 5.414 1.00 0.00 H new ATOM 0 HB THR A 17 11.226 1.342 3.739 1.00 0.00 H new ATOM 0 HG1 THR A 17 12.030 0.368 5.728 1.00 0.00 H new ATOM 0 HG21 THR A 17 12.361 2.713 5.442 1.00 0.00 H new ATOM 0 HG22 THR A 17 11.072 3.619 4.616 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.802 2.984 6.256 1.00 0.00 H new ATOM 219 N VAL A 18 8.419 3.725 3.887 1.00 0.00 N ATOM 220 CA VAL A 18 8.170 4.877 3.029 1.00 0.00 C ATOM 221 C VAL A 18 9.448 5.698 2.883 1.00 0.00 C ATOM 222 O VAL A 18 10.021 6.164 3.870 1.00 0.00 O ATOM 223 CB VAL A 18 7.031 5.765 3.574 1.00 0.00 C ATOM 224 CG1 VAL A 18 6.876 7.031 2.734 1.00 0.00 C ATOM 225 CG2 VAL A 18 5.722 4.989 3.621 1.00 0.00 C ATOM 0 H VAL A 18 8.178 3.875 4.867 1.00 0.00 H new ATOM 0 HA VAL A 18 7.858 4.504 2.053 1.00 0.00 H new ATOM 0 HB VAL A 18 7.291 6.063 4.590 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.067 7.639 3.139 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.805 7.600 2.759 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.645 6.758 1.704 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.932 5.632 4.008 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.460 4.656 2.617 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.836 4.122 4.272 1.00 0.00 H new ATOM 235 N ASP A 19 9.890 5.862 1.647 1.00 0.00 N ATOM 236 CA ASP A 19 11.161 6.523 1.359 1.00 0.00 C ATOM 237 C ASP A 19 10.958 8.007 1.074 1.00 0.00 C ATOM 238 O ASP A 19 11.838 8.832 1.330 1.00 0.00 O ATOM 239 CB ASP A 19 11.840 5.849 0.163 1.00 0.00 C ATOM 240 CG ASP A 19 13.132 6.535 -0.240 1.00 0.00 C ATOM 241 OD1 ASP A 19 14.162 6.309 0.423 1.00 0.00 O ATOM 242 OD2 ASP A 19 13.124 7.297 -1.226 1.00 0.00 O ATOM 0 H ASP A 19 9.386 5.545 0.819 1.00 0.00 H new ATOM 0 HA ASP A 19 11.799 6.431 2.238 1.00 0.00 H new ATOM 0 HB2 ASP A 19 12.048 4.807 0.408 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.155 5.847 -0.685 1.00 0.00 H new ATOM 247 N GLN A 20 9.782 8.341 0.568 1.00 0.00 N ATOM 248 CA GLN A 20 9.484 9.706 0.154 1.00 0.00 C ATOM 249 C GLN A 20 8.104 10.116 0.636 1.00 0.00 C ATOM 250 O GLN A 20 7.121 9.416 0.396 1.00 0.00 O ATOM 251 CB GLN A 20 9.548 9.823 -1.372 1.00 0.00 C ATOM 252 CG GLN A 20 10.944 9.669 -1.949 1.00 0.00 C ATOM 253 CD GLN A 20 11.866 10.805 -1.555 1.00 0.00 C ATOM 254 OE1 GLN A 20 11.427 11.937 -1.352 1.00 0.00 O ATOM 255 NE2 GLN A 20 13.149 10.509 -1.443 1.00 0.00 N ATOM 0 H GLN A 20 9.014 7.684 0.433 1.00 0.00 H new ATOM 0 HA GLN A 20 10.228 10.368 0.597 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.900 9.065 -1.811 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.149 10.793 -1.668 1.00 0.00 H new ATOM 0 HG2 GLN A 20 11.371 8.725 -1.610 1.00 0.00 H new ATOM 0 HG3 GLN A 20 10.880 9.618 -3.036 1.00 0.00 H new ATOM 0 HE21 GLN A 20 13.470 9.557 -1.620 1.00 0.00 H new ATOM 0 HE22 GLN A 20 13.818 11.232 -1.179 1.00 0.00 H new ATOM 264 N VAL A 21 8.040 11.239 1.335 1.00 0.00 N ATOM 265 CA VAL A 21 6.772 11.763 1.815 1.00 0.00 C ATOM 266 C VAL A 21 6.609 13.221 1.403 1.00 0.00 C ATOM 267 O VAL A 21 7.304 14.105 1.907 1.00 0.00 O ATOM 268 CB VAL A 21 6.643 11.649 3.350 1.00 0.00 C ATOM 269 CG1 VAL A 21 5.303 12.195 3.823 1.00 0.00 C ATOM 270 CG2 VAL A 21 6.826 10.210 3.806 1.00 0.00 C ATOM 0 H VAL A 21 8.852 11.805 1.582 1.00 0.00 H new ATOM 0 HA VAL A 21 5.985 11.160 1.361 1.00 0.00 H new ATOM 0 HB VAL A 21 7.434 12.250 3.798 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.235 12.104 4.907 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.218 13.244 3.541 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.495 11.628 3.360 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.731 10.157 4.891 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.064 9.582 3.344 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.815 9.858 3.511 1.00 0.00 H new ATOM 280 N ASP A 22 5.699 13.465 0.478 1.00 0.00 N ATOM 281 CA ASP A 22 5.448 14.813 -0.008 1.00 0.00 C ATOM 282 C ASP A 22 4.000 15.202 0.297 1.00 0.00 C ATOM 283 O ASP A 22 3.384 14.634 1.200 1.00 0.00 O ATOM 284 CB ASP A 22 5.740 14.888 -1.515 1.00 0.00 C ATOM 285 CG ASP A 22 5.854 16.309 -2.035 1.00 0.00 C ATOM 286 OD1 ASP A 22 6.907 16.948 -1.816 1.00 0.00 O ATOM 287 OD2 ASP A 22 4.884 16.796 -2.652 1.00 0.00 O ATOM 0 H ASP A 22 5.119 12.746 0.046 1.00 0.00 H new ATOM 0 HA ASP A 22 6.108 15.518 0.497 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.668 14.356 -1.725 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.948 14.373 -2.058 1.00 0.00 H new ATOM 292 N ASP A 23 3.462 16.160 -0.439 1.00 0.00 N ATOM 293 CA ASP A 23 2.100 16.622 -0.224 1.00 0.00 C ATOM 294 C ASP A 23 1.114 15.721 -0.959 1.00 0.00 C ATOM 295 O ASP A 23 0.206 15.150 -0.357 1.00 0.00 O ATOM 296 CB ASP A 23 1.940 18.065 -0.719 1.00 0.00 C ATOM 297 CG ASP A 23 2.699 19.086 0.113 1.00 0.00 C ATOM 298 OD1 ASP A 23 3.877 18.847 0.460 1.00 0.00 O ATOM 299 OD2 ASP A 23 2.123 20.149 0.410 1.00 0.00 O ATOM 0 H ASP A 23 3.952 16.636 -1.196 1.00 0.00 H new ATOM 0 HA ASP A 23 1.892 16.586 0.845 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.282 18.125 -1.752 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.881 18.324 -0.718 1.00 0.00 H new ATOM 304 N THR A 24 1.315 15.593 -2.263 1.00 0.00 N ATOM 305 CA THR A 24 0.425 14.822 -3.122 1.00 0.00 C ATOM 306 C THR A 24 1.149 13.602 -3.693 1.00 0.00 C ATOM 307 O THR A 24 0.880 13.172 -4.812 1.00 0.00 O ATOM 308 CB THR A 24 -0.090 15.707 -4.272 1.00 0.00 C ATOM 309 OG1 THR A 24 1.015 16.379 -4.896 1.00 0.00 O ATOM 310 CG2 THR A 24 -1.086 16.733 -3.755 1.00 0.00 C ATOM 0 H THR A 24 2.099 16.020 -2.756 1.00 0.00 H new ATOM 0 HA THR A 24 -0.419 14.478 -2.524 1.00 0.00 H new ATOM 0 HB THR A 24 -0.592 15.072 -5.002 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.685 16.940 -5.629 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.438 17.348 -4.583 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.933 16.220 -3.299 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.602 17.367 -3.012 1.00 0.00 H new ATOM 318 N SER A 25 2.045 13.033 -2.894 1.00 0.00 N ATOM 319 CA SER A 25 2.935 11.955 -3.334 1.00 0.00 C ATOM 320 C SER A 25 3.634 11.324 -2.129 1.00 0.00 C ATOM 321 O SER A 25 4.185 12.032 -1.290 1.00 0.00 O ATOM 322 CB SER A 25 4.003 12.473 -4.312 1.00 0.00 C ATOM 323 OG SER A 25 3.431 13.073 -5.464 1.00 0.00 O ATOM 0 H SER A 25 2.178 13.304 -1.920 1.00 0.00 H new ATOM 0 HA SER A 25 2.322 11.212 -3.844 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.637 13.199 -3.803 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.646 11.647 -4.616 1.00 0.00 H new ATOM 0 HG SER A 25 2.480 12.841 -5.516 1.00 0.00 H new ATOM 329 N ILE A 26 3.603 10.002 -2.046 1.00 0.00 N ATOM 330 CA ILE A 26 4.307 9.261 -0.991 1.00 0.00 C ATOM 331 C ILE A 26 4.761 7.916 -1.551 1.00 0.00 C ATOM 332 O ILE A 26 4.016 7.279 -2.275 1.00 0.00 O ATOM 333 CB ILE A 26 3.415 9.038 0.267 1.00 0.00 C ATOM 334 CG1 ILE A 26 3.242 10.339 1.058 1.00 0.00 C ATOM 335 CG2 ILE A 26 3.994 7.962 1.172 1.00 0.00 C ATOM 336 CD1 ILE A 26 2.351 10.200 2.275 1.00 0.00 C ATOM 0 H ILE A 26 3.094 9.408 -2.701 1.00 0.00 H new ATOM 0 HA ILE A 26 5.166 9.853 -0.675 1.00 0.00 H new ATOM 0 HB ILE A 26 2.438 8.707 -0.086 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.223 10.693 1.376 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.826 11.101 0.399 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.348 7.831 2.040 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.060 7.022 0.624 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.989 8.261 1.502 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.277 11.161 2.783 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.358 9.876 1.964 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.777 9.462 2.955 1.00 0.00 H new ATOM 348 N VAL A 27 5.971 7.475 -1.236 1.00 0.00 N ATOM 349 CA VAL A 27 6.490 6.262 -1.845 1.00 0.00 C ATOM 350 C VAL A 27 6.761 5.205 -0.799 1.00 0.00 C ATOM 351 O VAL A 27 7.476 5.455 0.170 1.00 0.00 O ATOM 352 CB VAL A 27 7.792 6.511 -2.612 1.00 0.00 C ATOM 353 CG1 VAL A 27 8.239 5.223 -3.283 1.00 0.00 C ATOM 354 CG2 VAL A 27 7.613 7.622 -3.634 1.00 0.00 C ATOM 0 H VAL A 27 6.600 7.930 -0.575 1.00 0.00 H new ATOM 0 HA VAL A 27 5.723 5.922 -2.541 1.00 0.00 H new ATOM 0 HB VAL A 27 8.563 6.831 -1.911 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.166 5.400 -3.829 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.405 4.457 -2.526 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.468 4.887 -3.976 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.551 7.781 -4.166 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.835 7.341 -4.344 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.324 8.542 -3.125 1.00 0.00 H new ATOM 364 N VAL A 28 6.226 4.016 -1.010 1.00 0.00 N ATOM 365 CA VAL A 28 6.365 2.957 -0.033 1.00 0.00 C ATOM 366 C VAL A 28 6.999 1.731 -0.678 1.00 0.00 C ATOM 367 O VAL A 28 6.784 1.469 -1.858 1.00 0.00 O ATOM 368 CB VAL A 28 5.008 2.592 0.616 1.00 0.00 C ATOM 369 CG1 VAL A 28 4.010 3.724 0.502 1.00 0.00 C ATOM 370 CG2 VAL A 28 4.440 1.310 0.054 1.00 0.00 C ATOM 0 H VAL A 28 5.695 3.763 -1.843 1.00 0.00 H new ATOM 0 HA VAL A 28 7.017 3.319 0.762 1.00 0.00 H new ATOM 0 HB VAL A 28 5.202 2.427 1.676 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.070 3.429 0.969 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.403 4.608 1.004 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.837 3.952 -0.550 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.488 1.091 0.537 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.285 1.420 -1.019 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.136 0.492 0.238 1.00 0.00 H new ATOM 380 N ARG A 29 7.784 0.997 0.099 1.00 0.00 N ATOM 381 CA ARG A 29 8.524 -0.159 -0.406 1.00 0.00 C ATOM 382 C ARG A 29 8.361 -1.339 0.532 1.00 0.00 C ATOM 383 O ARG A 29 8.737 -1.264 1.697 1.00 0.00 O ATOM 384 CB ARG A 29 10.013 0.170 -0.524 1.00 0.00 C ATOM 385 CG ARG A 29 10.311 1.524 -1.144 1.00 0.00 C ATOM 386 CD ARG A 29 11.792 1.848 -1.069 1.00 0.00 C ATOM 387 NE ARG A 29 12.309 1.731 0.295 1.00 0.00 N ATOM 388 CZ ARG A 29 13.402 2.350 0.736 1.00 0.00 C ATOM 389 NH1 ARG A 29 14.097 3.139 -0.075 1.00 0.00 N ATOM 390 NH2 ARG A 29 13.806 2.167 1.986 1.00 0.00 N ATOM 0 H ARG A 29 7.928 1.182 1.092 1.00 0.00 H new ATOM 0 HA ARG A 29 8.125 -0.411 -1.389 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.460 0.133 0.469 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.497 -0.603 -1.121 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.987 1.530 -2.185 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.740 2.297 -0.628 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.344 1.175 -1.725 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.961 2.861 -1.435 1.00 0.00 H new ATOM 0 HE ARG A 29 11.799 1.137 0.950 1.00 0.00 H new ATOM 0 HH11 ARG A 29 13.794 3.273 -1.040 1.00 0.00 H new ATOM 0 HH12 ARG A 29 14.934 3.611 0.267 1.00 0.00 H new ATOM 0 HH21 ARG A 29 13.280 1.553 2.607 1.00 0.00 H new ATOM 0 HH22 ARG A 29 14.643 2.640 2.326 1.00 0.00 H new ATOM 404 N TRP A 30 7.847 -2.433 -0.002 1.00 0.00 N ATOM 405 CA TRP A 30 7.524 -3.614 0.798 1.00 0.00 C ATOM 406 C TRP A 30 8.454 -4.783 0.473 1.00 0.00 C ATOM 407 O TRP A 30 8.879 -4.959 -0.670 1.00 0.00 O ATOM 408 CB TRP A 30 6.050 -4.020 0.592 1.00 0.00 C ATOM 409 CG TRP A 30 5.661 -4.209 -0.837 1.00 0.00 C ATOM 410 CD1 TRP A 30 5.813 -5.334 -1.571 1.00 0.00 C ATOM 411 CD2 TRP A 30 5.025 -3.259 -1.688 1.00 0.00 C ATOM 412 NE1 TRP A 30 5.350 -5.136 -2.845 1.00 0.00 N ATOM 413 CE2 TRP A 30 4.845 -3.874 -2.936 1.00 0.00 C ATOM 414 CE3 TRP A 30 4.593 -1.947 -1.518 1.00 0.00 C ATOM 415 CZ2 TRP A 30 4.254 -3.225 -4.008 1.00 0.00 C ATOM 416 CZ3 TRP A 30 4.000 -1.306 -2.583 1.00 0.00 C ATOM 417 CH2 TRP A 30 3.833 -1.943 -3.808 1.00 0.00 C ATOM 0 H TRP A 30 7.641 -2.533 -0.996 1.00 0.00 H new ATOM 0 HA TRP A 30 7.672 -3.355 1.846 1.00 0.00 H new ATOM 0 HB2 TRP A 30 5.861 -4.947 1.134 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.409 -3.256 1.033 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.239 -6.257 -1.205 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.379 -5.820 -3.601 1.00 0.00 H new ATOM 0 HE3 TRP A 30 4.720 -1.443 -0.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.132 -3.714 -4.963 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 3.658 -0.288 -2.465 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.359 -1.411 -4.619 1.00 0.00 H new ATOM 428 N SER A 31 8.772 -5.571 1.491 1.00 0.00 N ATOM 429 CA SER A 31 9.619 -6.744 1.324 1.00 0.00 C ATOM 430 C SER A 31 8.766 -7.976 1.026 1.00 0.00 C ATOM 431 O SER A 31 8.266 -8.625 1.938 1.00 0.00 O ATOM 432 CB SER A 31 10.452 -6.967 2.587 1.00 0.00 C ATOM 433 OG SER A 31 11.204 -5.808 2.913 1.00 0.00 O ATOM 0 H SER A 31 8.453 -5.417 2.448 1.00 0.00 H new ATOM 0 HA SER A 31 10.291 -6.578 0.482 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.796 -7.225 3.418 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.125 -7.811 2.438 1.00 0.00 H new ATOM 0 HG SER A 31 11.727 -5.975 3.725 1.00 0.00 H new ATOM 439 N ARG A 32 8.605 -8.275 -0.258 1.00 0.00 N ATOM 440 CA ARG A 32 7.715 -9.340 -0.731 1.00 0.00 C ATOM 441 C ARG A 32 7.915 -10.671 0.011 1.00 0.00 C ATOM 442 O ARG A 32 8.991 -10.951 0.545 1.00 0.00 O ATOM 443 CB ARG A 32 7.917 -9.557 -2.230 1.00 0.00 C ATOM 444 CG ARG A 32 7.956 -8.272 -3.039 1.00 0.00 C ATOM 445 CD ARG A 32 9.359 -7.692 -3.122 1.00 0.00 C ATOM 446 NE ARG A 32 9.751 -7.421 -4.504 1.00 0.00 N ATOM 447 CZ ARG A 32 11.014 -7.316 -4.917 1.00 0.00 C ATOM 448 NH1 ARG A 32 12.014 -7.418 -4.049 1.00 0.00 N ATOM 449 NH2 ARG A 32 11.272 -7.101 -6.197 1.00 0.00 N ATOM 0 H ARG A 32 9.090 -7.784 -1.009 1.00 0.00 H new ATOM 0 HA ARG A 32 6.697 -9.010 -0.525 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.848 -10.101 -2.386 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.112 -10.188 -2.607 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.584 -8.466 -4.045 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.287 -7.539 -2.588 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.406 -6.770 -2.543 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.068 -8.388 -2.672 1.00 0.00 H new ATOM 0 HE ARG A 32 9.011 -7.305 -5.196 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.817 -7.577 -3.061 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.979 -7.337 -4.370 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.505 -7.016 -6.865 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.237 -7.020 -6.516 1.00 0.00 H new ATOM 463 N PRO A 33 6.874 -11.524 0.007 1.00 0.00 N ATOM 464 CA PRO A 33 6.836 -12.773 0.761 1.00 0.00 C ATOM 465 C PRO A 33 7.595 -13.890 0.063 1.00 0.00 C ATOM 466 O PRO A 33 7.962 -13.776 -1.106 1.00 0.00 O ATOM 467 CB PRO A 33 5.333 -13.123 0.807 1.00 0.00 C ATOM 468 CG PRO A 33 4.624 -12.011 0.097 1.00 0.00 C ATOM 469 CD PRO A 33 5.649 -11.364 -0.771 1.00 0.00 C ATOM 0 HA PRO A 33 7.300 -12.664 1.741 1.00 0.00 H new ATOM 0 HB2 PRO A 33 5.141 -14.080 0.322 1.00 0.00 H new ATOM 0 HB3 PRO A 33 4.985 -13.212 1.836 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.794 -12.393 -0.497 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.206 -11.297 0.807 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.721 -11.850 -1.744 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.420 -10.314 -0.955 1.00 0.00 H new ATOM 477 N GLN A 34 7.819 -14.973 0.792 1.00 0.00 N ATOM 478 CA GLN A 34 8.410 -16.174 0.225 1.00 0.00 C ATOM 479 C GLN A 34 7.311 -16.988 -0.444 1.00 0.00 C ATOM 480 O GLN A 34 7.567 -17.947 -1.174 1.00 0.00 O ATOM 481 CB GLN A 34 9.108 -17.007 1.302 1.00 0.00 C ATOM 482 CG GLN A 34 10.253 -16.288 2.014 1.00 0.00 C ATOM 483 CD GLN A 34 9.798 -15.171 2.944 1.00 0.00 C ATOM 484 OE1 GLN A 34 8.648 -15.343 3.579 1.00 0.00 O flip ATOM 485 NE2 GLN A 34 10.490 -14.168 3.103 1.00 0.00 N flip ATOM 0 H GLN A 34 7.598 -15.044 1.785 1.00 0.00 H new ATOM 0 HA GLN A 34 9.164 -15.890 -0.509 1.00 0.00 H new ATOM 0 HB2 GLN A 34 8.370 -17.312 2.044 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.495 -17.918 0.845 1.00 0.00 H new ATOM 0 HG2 GLN A 34 10.824 -17.016 2.590 1.00 0.00 H new ATOM 0 HG3 GLN A 34 10.928 -15.872 1.266 1.00 0.00 H new ATOM 0 HE21 GLN A 34 11.370 -14.070 2.597 1.00 0.00 H new ATOM 0 HE22 GLN A 34 10.184 -13.433 3.741 1.00 0.00 H new ATOM 494 N ALA A 35 6.081 -16.577 -0.167 1.00 0.00 N ATOM 495 CA ALA A 35 4.891 -17.178 -0.742 1.00 0.00 C ATOM 496 C ALA A 35 4.801 -16.915 -2.233 1.00 0.00 C ATOM 497 O ALA A 35 5.233 -15.863 -2.710 1.00 0.00 O ATOM 498 CB ALA A 35 3.658 -16.601 -0.075 1.00 0.00 C ATOM 0 H ALA A 35 5.882 -15.807 0.472 1.00 0.00 H new ATOM 0 HA ALA A 35 4.950 -18.254 -0.579 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.765 -17.053 -0.507 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.690 -16.812 0.994 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.631 -15.523 -0.231 1.00 0.00 H new ATOM 504 N PRO A 36 4.239 -17.860 -2.989 1.00 0.00 N ATOM 505 CA PRO A 36 3.930 -17.629 -4.387 1.00 0.00 C ATOM 506 C PRO A 36 2.696 -16.746 -4.516 1.00 0.00 C ATOM 507 O PRO A 36 1.588 -17.141 -4.145 1.00 0.00 O ATOM 508 CB PRO A 36 3.665 -19.031 -4.934 1.00 0.00 C ATOM 509 CG PRO A 36 3.238 -19.842 -3.755 1.00 0.00 C ATOM 510 CD PRO A 36 3.875 -19.216 -2.541 1.00 0.00 C ATOM 0 HA PRO A 36 4.726 -17.115 -4.926 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.890 -19.014 -5.700 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.560 -19.449 -5.395 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.152 -19.847 -3.662 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.553 -20.880 -3.865 1.00 0.00 H new ATOM 0 HD2 PRO A 36 3.184 -19.186 -1.698 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.751 -19.777 -2.215 1.00 0.00 H new ATOM 518 N ILE A 37 2.897 -15.556 -5.047 1.00 0.00 N ATOM 519 CA ILE A 37 1.837 -14.571 -5.173 1.00 0.00 C ATOM 520 C ILE A 37 1.692 -14.177 -6.644 1.00 0.00 C ATOM 521 O ILE A 37 2.640 -14.311 -7.414 1.00 0.00 O ATOM 522 CB ILE A 37 2.152 -13.320 -4.311 1.00 0.00 C ATOM 523 CG1 ILE A 37 3.458 -12.684 -4.794 1.00 0.00 C ATOM 524 CG2 ILE A 37 2.225 -13.662 -2.810 1.00 0.00 C ATOM 525 CD1 ILE A 37 4.179 -11.886 -3.741 1.00 0.00 C ATOM 0 H ILE A 37 3.800 -15.243 -5.404 1.00 0.00 H new ATOM 0 HA ILE A 37 0.901 -15.002 -4.817 1.00 0.00 H new ATOM 0 HB ILE A 37 1.338 -12.605 -4.431 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.120 -13.470 -5.156 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.241 -12.034 -5.642 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.447 -12.759 -2.241 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.269 -14.070 -2.483 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.011 -14.399 -2.643 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.093 -11.469 -4.163 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.537 -11.076 -3.395 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.430 -12.534 -2.901 1.00 0.00 H new ATOM 537 N THR A 38 0.507 -13.731 -7.039 1.00 0.00 N ATOM 538 CA THR A 38 0.246 -13.398 -8.436 1.00 0.00 C ATOM 539 C THR A 38 0.342 -11.900 -8.725 1.00 0.00 C ATOM 540 O THR A 38 0.698 -11.503 -9.836 1.00 0.00 O ATOM 541 CB THR A 38 -1.126 -13.921 -8.888 1.00 0.00 C ATOM 542 OG1 THR A 38 -2.131 -13.571 -7.931 1.00 0.00 O ATOM 543 CG2 THR A 38 -1.086 -15.420 -9.076 1.00 0.00 C ATOM 0 H THR A 38 -0.288 -13.591 -6.415 1.00 0.00 H new ATOM 0 HA THR A 38 1.031 -13.894 -9.007 1.00 0.00 H new ATOM 0 HB THR A 38 -1.374 -13.458 -9.843 1.00 0.00 H new ATOM 0 HG1 THR A 38 -3.001 -13.909 -8.231 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.066 -15.773 -9.396 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.344 -15.672 -9.834 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.818 -15.898 -8.134 1.00 0.00 H new ATOM 551 N GLY A 39 0.030 -11.070 -7.742 1.00 0.00 N ATOM 552 CA GLY A 39 0.099 -9.641 -7.940 1.00 0.00 C ATOM 553 C GLY A 39 0.045 -8.895 -6.634 1.00 0.00 C ATOM 554 O GLY A 39 0.233 -9.499 -5.588 1.00 0.00 O ATOM 0 H GLY A 39 -0.269 -11.362 -6.812 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.021 -9.390 -8.464 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.726 -9.321 -8.576 1.00 0.00 H new ATOM 558 N TYR A 40 -0.224 -7.597 -6.689 1.00 0.00 N ATOM 559 CA TYR A 40 -0.403 -6.782 -5.492 1.00 0.00 C ATOM 560 C TYR A 40 -1.503 -5.756 -5.681 1.00 0.00 C ATOM 561 O TYR A 40 -1.573 -5.091 -6.716 1.00 0.00 O ATOM 562 CB TYR A 40 0.875 -6.024 -5.129 1.00 0.00 C ATOM 563 CG TYR A 40 1.839 -6.800 -4.268 1.00 0.00 C ATOM 564 CD1 TYR A 40 2.331 -8.025 -4.672 1.00 0.00 C ATOM 565 CD2 TYR A 40 2.260 -6.301 -3.047 1.00 0.00 C ATOM 566 CE1 TYR A 40 3.215 -8.731 -3.899 1.00 0.00 C ATOM 567 CE2 TYR A 40 3.151 -7.001 -2.265 1.00 0.00 C ATOM 568 CZ TYR A 40 3.628 -8.213 -2.698 1.00 0.00 C ATOM 569 OH TYR A 40 4.522 -8.908 -1.929 1.00 0.00 O ATOM 0 H TYR A 40 -0.324 -7.079 -7.562 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.666 -7.475 -4.693 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.383 -5.732 -6.048 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.602 -5.105 -4.610 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.012 -8.436 -5.618 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.884 -5.349 -2.703 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.584 -9.689 -4.233 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.473 -6.599 -1.316 1.00 0.00 H new ATOM 0 HH TYR A 40 5.434 -8.706 -2.225 1.00 0.00 H new ATOM 579 N ARG A 41 -2.360 -5.635 -4.683 1.00 0.00 N ATOM 580 CA ARG A 41 -3.272 -4.505 -4.599 1.00 0.00 C ATOM 581 C ARG A 41 -2.712 -3.508 -3.616 1.00 0.00 C ATOM 582 O ARG A 41 -1.970 -3.878 -2.724 1.00 0.00 O ATOM 583 CB ARG A 41 -4.636 -4.928 -4.111 1.00 0.00 C ATOM 584 CG ARG A 41 -5.062 -6.284 -4.627 1.00 0.00 C ATOM 585 CD ARG A 41 -5.506 -6.232 -6.078 1.00 0.00 C ATOM 586 NE ARG A 41 -6.617 -5.300 -6.279 1.00 0.00 N ATOM 587 CZ ARG A 41 -7.407 -5.303 -7.352 1.00 0.00 C ATOM 588 NH1 ARG A 41 -7.254 -6.226 -8.291 1.00 0.00 N ATOM 589 NH2 ARG A 41 -8.360 -4.389 -7.477 1.00 0.00 N ATOM 0 H ARG A 41 -2.445 -6.305 -3.918 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.375 -4.075 -5.595 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.635 -4.946 -3.021 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.371 -4.183 -4.417 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.234 -6.985 -4.527 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.878 -6.665 -4.013 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.665 -5.934 -6.704 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.806 -7.229 -6.401 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.797 -4.606 -5.553 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.530 -6.937 -8.194 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.861 -6.225 -9.111 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.488 -3.683 -6.752 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.965 -4.392 -8.299 1.00 0.00 H new ATOM 603 N ILE A 42 -3.008 -2.247 -3.803 1.00 0.00 N ATOM 604 CA ILE A 42 -2.546 -1.232 -2.863 1.00 0.00 C ATOM 605 C ILE A 42 -3.605 -0.188 -2.582 1.00 0.00 C ATOM 606 O ILE A 42 -3.847 0.667 -3.417 1.00 0.00 O ATOM 607 CB ILE A 42 -1.295 -0.526 -3.407 1.00 0.00 C ATOM 608 CG1 ILE A 42 -0.281 -1.557 -3.877 1.00 0.00 C ATOM 609 CG2 ILE A 42 -0.687 0.376 -2.343 1.00 0.00 C ATOM 610 CD1 ILE A 42 0.840 -0.980 -4.692 1.00 0.00 C ATOM 0 H ILE A 42 -3.559 -1.892 -4.584 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.315 -1.751 -1.933 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.582 0.095 -4.255 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.138 -2.063 -3.007 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.795 -2.314 -4.469 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.198 0.868 -2.746 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.416 1.129 -2.044 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.407 -0.222 -1.476 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.521 -1.777 -4.990 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.433 -0.499 -5.582 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.381 -0.244 -4.097 1.00 0.00 H new ATOM 622 N VAL A 43 -4.176 -0.208 -1.387 1.00 0.00 N ATOM 623 CA VAL A 43 -5.193 0.772 -1.033 1.00 0.00 C ATOM 624 C VAL A 43 -4.655 1.765 -0.022 1.00 0.00 C ATOM 625 O VAL A 43 -4.404 1.432 1.131 1.00 0.00 O ATOM 626 CB VAL A 43 -6.485 0.134 -0.477 1.00 0.00 C ATOM 627 CG1 VAL A 43 -7.424 1.199 0.055 1.00 0.00 C ATOM 628 CG2 VAL A 43 -7.180 -0.685 -1.547 1.00 0.00 C ATOM 0 H VAL A 43 -3.957 -0.883 -0.654 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.450 1.282 -1.961 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.208 -0.527 0.344 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.327 0.727 0.442 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.932 1.751 0.856 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.689 1.885 -0.749 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.088 -1.126 -1.135 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.438 -0.041 -2.388 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.514 -1.478 -1.888 1.00 0.00 H new ATOM 638 N TYR A 44 -4.475 2.984 -0.474 1.00 0.00 N ATOM 639 CA TYR A 44 -4.055 4.063 0.384 1.00 0.00 C ATOM 640 C TYR A 44 -5.176 5.057 0.521 1.00 0.00 C ATOM 641 O TYR A 44 -5.736 5.534 -0.476 1.00 0.00 O ATOM 642 CB TYR A 44 -2.765 4.720 -0.127 1.00 0.00 C ATOM 643 CG TYR A 44 -2.665 4.817 -1.633 1.00 0.00 C ATOM 644 CD1 TYR A 44 -2.401 3.687 -2.396 1.00 0.00 C ATOM 645 CD2 TYR A 44 -2.822 6.029 -2.289 1.00 0.00 C ATOM 646 CE1 TYR A 44 -2.296 3.756 -3.764 1.00 0.00 C ATOM 647 CE2 TYR A 44 -2.718 6.110 -3.661 1.00 0.00 C ATOM 648 CZ TYR A 44 -2.454 4.974 -4.395 1.00 0.00 C ATOM 649 OH TYR A 44 -2.356 5.058 -5.759 1.00 0.00 O ATOM 0 H TYR A 44 -4.616 3.254 -1.447 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.824 3.662 1.371 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.691 5.722 0.295 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.911 4.154 0.246 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.276 2.734 -1.904 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.029 6.921 -1.717 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.092 2.866 -4.341 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.843 7.060 -4.159 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.494 5.987 -6.040 1.00 0.00 H new ATOM 659 N SER A 45 -5.513 5.319 1.767 1.00 0.00 N ATOM 660 CA SER A 45 -6.668 6.133 2.100 1.00 0.00 C ATOM 661 C SER A 45 -6.371 7.112 3.237 1.00 0.00 C ATOM 662 O SER A 45 -5.699 6.771 4.212 1.00 0.00 O ATOM 663 CB SER A 45 -7.831 5.216 2.486 1.00 0.00 C ATOM 664 OG SER A 45 -7.411 4.223 3.410 1.00 0.00 O ATOM 0 H SER A 45 -4.997 4.976 2.577 1.00 0.00 H new ATOM 0 HA SER A 45 -6.931 6.727 1.225 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.636 5.807 2.923 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.235 4.739 1.593 1.00 0.00 H new ATOM 0 HG SER A 45 -8.171 3.650 3.643 1.00 0.00 H new ATOM 670 N PRO A 46 -6.877 8.347 3.113 1.00 0.00 N ATOM 671 CA PRO A 46 -6.749 9.383 4.147 1.00 0.00 C ATOM 672 C PRO A 46 -7.670 9.114 5.332 1.00 0.00 C ATOM 673 O PRO A 46 -8.798 8.647 5.168 1.00 0.00 O ATOM 674 CB PRO A 46 -7.190 10.645 3.414 1.00 0.00 C ATOM 675 CG PRO A 46 -8.156 10.158 2.396 1.00 0.00 C ATOM 676 CD PRO A 46 -7.633 8.830 1.943 1.00 0.00 C ATOM 0 HA PRO A 46 -5.744 9.438 4.565 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.655 11.359 4.094 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.344 11.152 2.950 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -9.156 10.061 2.820 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -8.230 10.855 1.561 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.441 8.149 1.677 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.996 8.927 1.064 1.00 0.00 H new ATOM 744 N SER A 52 -8.217 8.523 -2.029 1.00 0.00 N ATOM 745 CA SER A 52 -7.866 7.136 -1.777 1.00 0.00 C ATOM 746 C SER A 52 -7.783 6.387 -3.090 1.00 0.00 C ATOM 747 O SER A 52 -8.593 6.606 -3.995 1.00 0.00 O ATOM 748 CB SER A 52 -8.867 6.458 -0.837 1.00 0.00 C ATOM 749 OG SER A 52 -10.203 6.651 -1.268 1.00 0.00 O ATOM 0 HA SER A 52 -6.894 7.116 -1.283 1.00 0.00 H new ATOM 0 HB2 SER A 52 -8.652 5.391 -0.785 1.00 0.00 H new ATOM 0 HB3 SER A 52 -8.748 6.857 0.170 1.00 0.00 H new ATOM 0 HG SER A 52 -10.249 7.440 -1.848 1.00 0.00 H new ATOM 755 N THR A 53 -6.797 5.525 -3.212 1.00 0.00 N ATOM 756 CA THR A 53 -6.562 4.848 -4.476 1.00 0.00 C ATOM 757 C THR A 53 -6.023 3.436 -4.261 1.00 0.00 C ATOM 758 O THR A 53 -5.368 3.161 -3.255 1.00 0.00 O ATOM 759 CB THR A 53 -5.576 5.666 -5.340 1.00 0.00 C ATOM 760 OG1 THR A 53 -6.057 7.010 -5.480 1.00 0.00 O ATOM 761 CG2 THR A 53 -5.392 5.054 -6.719 1.00 0.00 C ATOM 0 H THR A 53 -6.150 5.276 -2.464 1.00 0.00 H new ATOM 0 HA THR A 53 -7.517 4.767 -4.996 1.00 0.00 H new ATOM 0 HB THR A 53 -4.610 5.660 -4.835 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.429 7.527 -6.027 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.692 5.659 -7.295 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.000 4.042 -6.619 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.352 5.022 -7.234 1.00 0.00 H new ATOM 769 N GLU A 54 -6.339 2.546 -5.196 1.00 0.00 N ATOM 770 CA GLU A 54 -5.797 1.207 -5.213 1.00 0.00 C ATOM 771 C GLU A 54 -4.934 1.022 -6.455 1.00 0.00 C ATOM 772 O GLU A 54 -5.435 1.071 -7.580 1.00 0.00 O ATOM 773 CB GLU A 54 -6.917 0.161 -5.192 1.00 0.00 C ATOM 774 CG GLU A 54 -6.409 -1.275 -5.211 1.00 0.00 C ATOM 775 CD GLU A 54 -7.524 -2.300 -5.166 1.00 0.00 C ATOM 776 OE1 GLU A 54 -8.546 -2.110 -5.855 1.00 0.00 O ATOM 777 OE2 GLU A 54 -7.374 -3.322 -4.468 1.00 0.00 O ATOM 0 H GLU A 54 -6.982 2.742 -5.963 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.187 1.068 -4.320 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.526 0.311 -4.301 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.567 0.319 -6.052 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.815 -1.432 -6.111 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.746 -1.431 -4.360 1.00 0.00 H new ATOM 784 N LEU A 55 -3.638 0.837 -6.257 1.00 0.00 N ATOM 785 CA LEU A 55 -2.755 0.549 -7.376 1.00 0.00 C ATOM 786 C LEU A 55 -2.534 -0.944 -7.479 1.00 0.00 C ATOM 787 O LEU A 55 -2.652 -1.665 -6.493 1.00 0.00 O ATOM 788 CB LEU A 55 -1.416 1.314 -7.291 1.00 0.00 C ATOM 789 CG LEU A 55 -1.551 2.825 -7.466 1.00 0.00 C ATOM 790 CD1 LEU A 55 -0.199 3.486 -7.651 1.00 0.00 C ATOM 791 CD2 LEU A 55 -2.469 3.165 -8.633 1.00 0.00 C ATOM 0 H LEU A 55 -3.180 0.880 -5.347 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.243 0.902 -8.285 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.954 1.110 -6.325 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.740 0.929 -8.055 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.997 3.216 -6.551 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.333 4.561 -7.773 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.422 3.294 -6.776 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.287 3.078 -8.537 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.545 4.248 -8.732 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.061 2.744 -9.552 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.459 2.747 -8.451 1.00 0.00 H new ATOM 803 N ASN A 56 -2.278 -1.409 -8.683 1.00 0.00 N ATOM 804 CA ASN A 56 -2.059 -2.821 -8.916 1.00 0.00 C ATOM 805 C ASN A 56 -0.645 -3.039 -9.415 1.00 0.00 C ATOM 806 O ASN A 56 -0.279 -2.566 -10.492 1.00 0.00 O ATOM 807 CB ASN A 56 -3.075 -3.361 -9.927 1.00 0.00 C ATOM 808 CG ASN A 56 -2.985 -4.863 -10.099 1.00 0.00 C ATOM 809 OD1 ASN A 56 -2.237 -5.360 -10.938 1.00 0.00 O ATOM 810 ND2 ASN A 56 -3.753 -5.600 -9.312 1.00 0.00 N ATOM 0 H ASN A 56 -2.216 -0.828 -9.519 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.193 -3.362 -7.979 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.081 -3.096 -9.602 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.914 -2.879 -10.891 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.737 -6.617 -9.390 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.361 -5.151 -8.627 1.00 0.00 H new ATOM 817 N LEU A 57 0.151 -3.743 -8.633 1.00 0.00 N ATOM 818 CA LEU A 57 1.544 -3.950 -8.964 1.00 0.00 C ATOM 819 C LEU A 57 1.766 -5.416 -9.257 1.00 0.00 C ATOM 820 O LEU A 57 0.966 -6.256 -8.860 1.00 0.00 O ATOM 821 CB LEU A 57 2.469 -3.473 -7.823 1.00 0.00 C ATOM 822 CG LEU A 57 2.541 -1.964 -7.603 1.00 0.00 C ATOM 823 CD1 LEU A 57 3.895 -1.582 -7.051 1.00 0.00 C ATOM 824 CD2 LEU A 57 2.270 -1.205 -8.876 1.00 0.00 C ATOM 0 H LEU A 57 -0.146 -4.182 -7.762 1.00 0.00 H new ATOM 0 HA LEU A 57 1.791 -3.359 -9.846 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.138 -3.940 -6.895 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.476 -3.839 -8.022 1.00 0.00 H new ATOM 0 HG LEU A 57 1.768 -1.696 -6.882 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.935 -0.503 -6.898 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.057 -2.089 -6.100 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.672 -1.877 -7.756 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.330 -0.134 -8.681 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.011 -1.479 -9.628 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.273 -1.452 -9.242 1.00 0.00 H new ATOM 836 N PRO A 58 2.810 -5.742 -10.011 1.00 0.00 N ATOM 837 CA PRO A 58 3.168 -7.128 -10.262 1.00 0.00 C ATOM 838 C PRO A 58 3.623 -7.820 -8.981 1.00 0.00 C ATOM 839 O PRO A 58 4.120 -7.181 -8.057 1.00 0.00 O ATOM 840 CB PRO A 58 4.311 -7.044 -11.279 1.00 0.00 C ATOM 841 CG PRO A 58 4.831 -5.649 -11.191 1.00 0.00 C ATOM 842 CD PRO A 58 3.699 -4.790 -10.695 1.00 0.00 C ATOM 0 HA PRO A 58 2.326 -7.714 -10.630 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.093 -7.768 -11.049 1.00 0.00 H new ATOM 0 HB3 PRO A 58 3.956 -7.266 -12.285 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.682 -5.596 -10.512 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.179 -5.305 -12.165 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.053 -4.014 -10.016 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.190 -4.286 -11.516 1.00 0.00 H new ATOM 850 N GLU A 59 3.405 -9.127 -8.940 1.00 0.00 N ATOM 851 CA GLU A 59 3.815 -9.993 -7.823 1.00 0.00 C ATOM 852 C GLU A 59 5.252 -9.730 -7.364 1.00 0.00 C ATOM 853 O GLU A 59 5.592 -9.950 -6.203 1.00 0.00 O ATOM 854 CB GLU A 59 3.697 -11.459 -8.243 1.00 0.00 C ATOM 855 CG GLU A 59 4.509 -11.802 -9.483 1.00 0.00 C ATOM 856 CD GLU A 59 4.532 -13.286 -9.783 1.00 0.00 C ATOM 857 OE1 GLU A 59 3.630 -13.770 -10.496 1.00 0.00 O ATOM 858 OE2 GLU A 59 5.467 -13.975 -9.322 1.00 0.00 O ATOM 0 H GLU A 59 2.932 -9.632 -9.689 1.00 0.00 H new ATOM 0 HA GLU A 59 3.152 -9.767 -6.988 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.023 -12.092 -7.418 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.649 -11.692 -8.429 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.096 -11.270 -10.340 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.531 -11.448 -9.351 1.00 0.00 H new ATOM 865 N THR A 60 6.080 -9.266 -8.282 1.00 0.00 N ATOM 866 CA THR A 60 7.496 -9.065 -8.019 1.00 0.00 C ATOM 867 C THR A 60 7.810 -7.584 -7.766 1.00 0.00 C ATOM 868 O THR A 60 8.972 -7.175 -7.721 1.00 0.00 O ATOM 869 CB THR A 60 8.339 -9.610 -9.198 1.00 0.00 C ATOM 870 OG1 THR A 60 9.744 -9.461 -8.946 1.00 0.00 O ATOM 871 CG2 THR A 60 7.970 -8.905 -10.495 1.00 0.00 C ATOM 0 H THR A 60 5.793 -9.018 -9.229 1.00 0.00 H new ATOM 0 HA THR A 60 7.757 -9.616 -7.116 1.00 0.00 H new ATOM 0 HB THR A 60 8.117 -10.673 -9.296 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.905 -8.615 -8.479 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.574 -9.303 -11.310 1.00 0.00 H new ATOM 0 HG22 THR A 60 6.915 -9.070 -10.711 1.00 0.00 H new ATOM 0 HG23 THR A 60 8.157 -7.836 -10.394 1.00 0.00 H new ATOM 879 N ALA A 61 6.773 -6.781 -7.572 1.00 0.00 N ATOM 880 CA ALA A 61 6.955 -5.364 -7.285 1.00 0.00 C ATOM 881 C ALA A 61 7.252 -5.177 -5.811 1.00 0.00 C ATOM 882 O ALA A 61 6.960 -6.060 -5.004 1.00 0.00 O ATOM 883 CB ALA A 61 5.726 -4.567 -7.675 1.00 0.00 C ATOM 0 H ALA A 61 5.800 -7.085 -7.608 1.00 0.00 H new ATOM 0 HA ALA A 61 7.795 -4.997 -7.874 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.889 -3.513 -7.450 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.539 -4.685 -8.742 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.865 -4.929 -7.114 1.00 0.00 H new ATOM 889 N ASN A 62 7.833 -4.045 -5.457 1.00 0.00 N ATOM 890 CA ASN A 62 8.218 -3.810 -4.075 1.00 0.00 C ATOM 891 C ASN A 62 8.096 -2.349 -3.683 1.00 0.00 C ATOM 892 O ASN A 62 8.659 -1.942 -2.675 1.00 0.00 O ATOM 893 CB ASN A 62 9.655 -4.277 -3.826 1.00 0.00 C ATOM 894 CG ASN A 62 10.690 -3.497 -4.622 1.00 0.00 C ATOM 895 OD1 ASN A 62 10.430 -3.033 -5.733 1.00 0.00 O ATOM 896 ND2 ASN A 62 11.875 -3.349 -4.057 1.00 0.00 N ATOM 0 H ASN A 62 8.047 -3.281 -6.098 1.00 0.00 H new ATOM 0 HA ASN A 62 7.528 -4.387 -3.459 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.880 -4.185 -2.763 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.734 -5.334 -4.079 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.611 -2.836 -4.543 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.054 -3.747 -3.135 1.00 0.00 H new ATOM 903 N SER A 63 7.363 -1.556 -4.451 1.00 0.00 N ATOM 904 CA SER A 63 7.241 -0.140 -4.135 1.00 0.00 C ATOM 905 C SER A 63 6.155 0.537 -4.969 1.00 0.00 C ATOM 906 O SER A 63 6.068 0.321 -6.177 1.00 0.00 O ATOM 907 CB SER A 63 8.586 0.555 -4.375 1.00 0.00 C ATOM 908 OG SER A 63 9.099 0.243 -5.664 1.00 0.00 O ATOM 0 H SER A 63 6.853 -1.860 -5.281 1.00 0.00 H new ATOM 0 HA SER A 63 6.956 -0.053 -3.087 1.00 0.00 H new ATOM 0 HB2 SER A 63 8.464 1.634 -4.280 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.300 0.247 -3.611 1.00 0.00 H new ATOM 0 HG SER A 63 9.956 0.699 -5.794 1.00 0.00 H new ATOM 914 N VAL A 64 5.339 1.361 -4.323 1.00 0.00 N ATOM 915 CA VAL A 64 4.330 2.150 -5.022 1.00 0.00 C ATOM 916 C VAL A 64 4.540 3.639 -4.753 1.00 0.00 C ATOM 917 O VAL A 64 4.829 4.041 -3.614 1.00 0.00 O ATOM 918 CB VAL A 64 2.880 1.769 -4.624 1.00 0.00 C ATOM 919 CG1 VAL A 64 2.692 1.813 -3.133 1.00 0.00 C ATOM 920 CG2 VAL A 64 1.891 2.673 -5.300 1.00 0.00 C ATOM 0 H VAL A 64 5.356 1.501 -3.313 1.00 0.00 H new ATOM 0 HA VAL A 64 4.453 1.931 -6.083 1.00 0.00 H new ATOM 0 HB VAL A 64 2.704 0.746 -4.956 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.665 1.541 -2.888 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.377 1.110 -2.659 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.897 2.820 -2.770 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.880 2.389 -5.008 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.079 3.705 -5.003 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.995 2.582 -6.381 1.00 0.00 H new ATOM 930 N THR A 65 4.436 4.442 -5.806 1.00 0.00 N ATOM 931 CA THR A 65 4.414 5.872 -5.677 1.00 0.00 C ATOM 932 C THR A 65 2.969 6.367 -5.719 1.00 0.00 C ATOM 933 O THR A 65 2.341 6.433 -6.777 1.00 0.00 O ATOM 934 CB THR A 65 5.220 6.504 -6.815 1.00 0.00 C ATOM 935 OG1 THR A 65 6.609 6.178 -6.669 1.00 0.00 O ATOM 936 CG2 THR A 65 5.043 8.018 -6.859 1.00 0.00 C ATOM 0 H THR A 65 4.365 4.108 -6.767 1.00 0.00 H new ATOM 0 HA THR A 65 4.861 6.159 -4.725 1.00 0.00 H new ATOM 0 HB THR A 65 4.845 6.098 -7.754 1.00 0.00 H new ATOM 0 HG1 THR A 65 7.119 6.584 -7.401 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.631 8.429 -7.680 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.990 8.257 -7.011 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.381 8.451 -5.918 1.00 0.00 H new ATOM 944 N LEU A 66 2.446 6.677 -4.553 1.00 0.00 N ATOM 945 CA LEU A 66 1.094 7.180 -4.416 1.00 0.00 C ATOM 946 C LEU A 66 1.073 8.647 -4.788 1.00 0.00 C ATOM 947 O LEU A 66 1.978 9.395 -4.407 1.00 0.00 O ATOM 948 CB LEU A 66 0.611 7.025 -2.983 1.00 0.00 C ATOM 949 CG LEU A 66 1.370 6.002 -2.149 1.00 0.00 C ATOM 950 CD1 LEU A 66 1.168 6.278 -0.687 1.00 0.00 C ATOM 951 CD2 LEU A 66 0.917 4.600 -2.502 1.00 0.00 C ATOM 0 H LEU A 66 2.947 6.587 -3.669 1.00 0.00 H new ATOM 0 HA LEU A 66 0.437 6.612 -5.074 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.676 7.994 -2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.443 6.746 -3.000 1.00 0.00 H new ATOM 0 HG LEU A 66 2.435 6.082 -2.369 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.715 5.541 -0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.536 7.276 -0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.106 6.217 -0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.467 3.877 -1.899 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.150 4.501 -2.303 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.108 4.411 -3.558 1.00 0.00 H new ATOM 963 N SER A 67 0.043 9.062 -5.496 1.00 0.00 N ATOM 964 CA SER A 67 -0.020 10.413 -6.001 1.00 0.00 C ATOM 965 C SER A 67 -1.411 10.992 -5.783 1.00 0.00 C ATOM 966 O SER A 67 -2.333 10.273 -5.395 1.00 0.00 O ATOM 967 CB SER A 67 0.353 10.428 -7.487 1.00 0.00 C ATOM 968 OG SER A 67 0.482 11.754 -7.980 1.00 0.00 O ATOM 0 H SER A 67 -0.761 8.481 -5.734 1.00 0.00 H new ATOM 0 HA SER A 67 0.693 11.034 -5.458 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.291 9.892 -7.633 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.409 9.899 -8.059 1.00 0.00 H new ATOM 0 HG SER A 67 0.722 11.728 -8.930 1.00 0.00 H new ATOM 974 N ASP A 68 -1.536 12.296 -6.018 1.00 0.00 N ATOM 975 CA ASP A 68 -2.793 13.022 -5.841 1.00 0.00 C ATOM 976 C ASP A 68 -3.256 12.990 -4.388 1.00 0.00 C ATOM 977 O ASP A 68 -4.447 13.101 -4.109 1.00 0.00 O ATOM 978 CB ASP A 68 -3.897 12.470 -6.754 1.00 0.00 C ATOM 979 CG ASP A 68 -3.594 12.649 -8.230 1.00 0.00 C ATOM 980 OD1 ASP A 68 -3.659 13.796 -8.727 1.00 0.00 O ATOM 981 OD2 ASP A 68 -3.309 11.642 -8.909 1.00 0.00 O ATOM 0 H ASP A 68 -0.765 12.882 -6.338 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.600 14.058 -6.121 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.037 11.410 -6.544 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.837 12.969 -6.519 1.00 0.00 H new ATOM 986 N LEU A 69 -2.310 12.848 -3.460 1.00 0.00 N ATOM 987 CA LEU A 69 -2.636 12.866 -2.033 1.00 0.00 C ATOM 988 C LEU A 69 -3.092 14.264 -1.622 1.00 0.00 C ATOM 989 O LEU A 69 -3.224 15.158 -2.450 1.00 0.00 O ATOM 990 CB LEU A 69 -1.446 12.463 -1.148 1.00 0.00 C ATOM 991 CG LEU A 69 -0.612 11.276 -1.596 1.00 0.00 C ATOM 992 CD1 LEU A 69 0.537 11.080 -0.634 1.00 0.00 C ATOM 993 CD2 LEU A 69 -1.475 10.033 -1.636 1.00 0.00 C ATOM 0 H LEU A 69 -1.320 12.720 -3.667 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.432 12.136 -1.885 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.785 13.325 -1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.826 12.250 -0.149 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.216 11.462 -2.594 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.138 10.228 -0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.157 11.976 -0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.146 10.894 0.366 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.874 9.183 -1.958 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.877 9.837 -0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.296 10.183 -2.337 1.00 0.00 H new ATOM 1005 N GLN A 70 -3.339 14.445 -0.339 1.00 0.00 N ATOM 1006 CA GLN A 70 -3.739 15.737 0.175 1.00 0.00 C ATOM 1007 C GLN A 70 -2.798 16.123 1.309 1.00 0.00 C ATOM 1008 O GLN A 70 -2.684 15.396 2.298 1.00 0.00 O ATOM 1009 CB GLN A 70 -5.192 15.688 0.652 1.00 0.00 C ATOM 1010 CG GLN A 70 -5.774 17.040 1.050 1.00 0.00 C ATOM 1011 CD GLN A 70 -6.009 17.957 -0.138 1.00 0.00 C ATOM 1012 OE1 GLN A 70 -5.148 18.753 -0.510 1.00 0.00 O ATOM 1013 NE2 GLN A 70 -7.179 17.851 -0.743 1.00 0.00 N ATOM 0 H GLN A 70 -3.269 13.711 0.366 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.677 16.490 -0.611 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.807 15.261 -0.140 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -5.258 15.013 1.505 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -6.717 16.884 1.574 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -5.097 17.529 1.751 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -7.868 17.179 -0.406 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.393 18.441 -1.547 1.00 0.00 H new ATOM 1022 N PRO A 71 -2.076 17.239 1.151 1.00 0.00 N ATOM 1023 CA PRO A 71 -1.088 17.693 2.133 1.00 0.00 C ATOM 1024 C PRO A 71 -1.696 17.981 3.502 1.00 0.00 C ATOM 1025 O PRO A 71 -2.744 18.620 3.607 1.00 0.00 O ATOM 1026 CB PRO A 71 -0.528 18.973 1.521 1.00 0.00 C ATOM 1027 CG PRO A 71 -1.529 19.404 0.507 1.00 0.00 C ATOM 1028 CD PRO A 71 -2.159 18.146 -0.005 1.00 0.00 C ATOM 0 HA PRO A 71 -0.335 16.927 2.319 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -0.385 19.741 2.281 1.00 0.00 H new ATOM 0 HB3 PRO A 71 0.444 18.795 1.061 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.276 20.063 0.950 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.053 19.960 -0.301 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.191 18.309 -0.316 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.624 17.749 -0.868 1.00 0.00 H new ATOM 1036 N GLY A 72 -1.033 17.498 4.544 1.00 0.00 N ATOM 1037 CA GLY A 72 -1.504 17.722 5.895 1.00 0.00 C ATOM 1038 C GLY A 72 -2.540 16.701 6.305 1.00 0.00 C ATOM 1039 O GLY A 72 -3.356 16.947 7.195 1.00 0.00 O ATOM 0 H GLY A 72 -0.174 16.953 4.476 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.661 17.682 6.585 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.930 18.722 5.970 1.00 0.00 H new ATOM 1043 N VAL A 73 -2.510 15.553 5.646 1.00 0.00 N ATOM 1044 CA VAL A 73 -3.479 14.498 5.899 1.00 0.00 C ATOM 1045 C VAL A 73 -2.780 13.167 6.133 1.00 0.00 C ATOM 1046 O VAL A 73 -1.734 12.881 5.541 1.00 0.00 O ATOM 1047 CB VAL A 73 -4.475 14.350 4.729 1.00 0.00 C ATOM 1048 CG1 VAL A 73 -5.516 13.298 5.011 1.00 0.00 C ATOM 1049 CG2 VAL A 73 -5.187 15.642 4.429 1.00 0.00 C ATOM 0 H VAL A 73 -1.821 15.328 4.928 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.032 14.781 6.795 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.876 14.054 3.868 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -6.198 13.224 4.164 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.028 12.336 5.169 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.077 13.571 5.905 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.878 15.493 3.599 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.742 15.965 5.310 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.457 16.406 4.160 1.00 0.00 H new ATOM 1059 N GLN A 74 -3.376 12.363 6.995 1.00 0.00 N ATOM 1060 CA GLN A 74 -2.840 11.073 7.359 1.00 0.00 C ATOM 1061 C GLN A 74 -3.240 10.038 6.317 1.00 0.00 C ATOM 1062 O GLN A 74 -4.428 9.819 6.079 1.00 0.00 O ATOM 1063 CB GLN A 74 -3.384 10.697 8.730 1.00 0.00 C ATOM 1064 CG GLN A 74 -2.363 10.046 9.643 1.00 0.00 C ATOM 1065 CD GLN A 74 -1.944 8.674 9.171 1.00 0.00 C ATOM 1066 OE1 GLN A 74 -2.551 7.673 9.533 1.00 0.00 O ATOM 1067 NE2 GLN A 74 -0.902 8.618 8.359 1.00 0.00 N ATOM 0 H GLN A 74 -4.252 12.593 7.463 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.751 11.110 7.399 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.770 11.594 9.215 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -4.226 10.017 8.601 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.483 10.686 9.711 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.779 9.968 10.648 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.425 9.476 8.082 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -0.576 7.717 8.010 1.00 0.00 H new ATOM 1076 N TYR A 75 -2.254 9.421 5.688 1.00 0.00 N ATOM 1077 CA TYR A 75 -2.521 8.467 4.623 1.00 0.00 C ATOM 1078 C TYR A 75 -2.083 7.061 4.997 1.00 0.00 C ATOM 1079 O TYR A 75 -0.901 6.788 5.169 1.00 0.00 O ATOM 1080 CB TYR A 75 -1.843 8.911 3.327 1.00 0.00 C ATOM 1081 CG TYR A 75 -2.718 9.823 2.498 1.00 0.00 C ATOM 1082 CD1 TYR A 75 -3.606 9.295 1.570 1.00 0.00 C ATOM 1083 CD2 TYR A 75 -2.677 11.201 2.655 1.00 0.00 C ATOM 1084 CE1 TYR A 75 -4.424 10.114 0.821 1.00 0.00 C ATOM 1085 CE2 TYR A 75 -3.499 12.027 1.912 1.00 0.00 C ATOM 1086 CZ TYR A 75 -4.371 11.477 0.996 1.00 0.00 C ATOM 1087 OH TYR A 75 -5.201 12.293 0.258 1.00 0.00 O ATOM 0 H TYR A 75 -1.265 9.562 5.894 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.600 8.442 4.469 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.912 9.425 3.566 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.580 8.032 2.739 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -3.657 8.225 1.433 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.992 11.635 3.369 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -5.104 9.687 0.099 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -3.459 13.098 2.048 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.662 12.917 0.856 1.00 0.00 H new ATOM 1097 N ASN A 76 -3.054 6.176 5.130 1.00 0.00 N ATOM 1098 CA ASN A 76 -2.788 4.776 5.422 1.00 0.00 C ATOM 1099 C ASN A 76 -2.562 4.011 4.129 1.00 0.00 C ATOM 1100 O ASN A 76 -3.476 3.884 3.314 1.00 0.00 O ATOM 1101 CB ASN A 76 -3.956 4.136 6.186 1.00 0.00 C ATOM 1102 CG ASN A 76 -4.143 4.681 7.594 1.00 0.00 C ATOM 1103 OD1 ASN A 76 -3.893 5.965 7.785 1.00 0.00 O flip ATOM 1104 ND2 ASN A 76 -4.530 3.951 8.502 1.00 0.00 N flip ATOM 0 H ASN A 76 -4.044 6.404 5.040 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.895 4.729 6.045 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -4.875 4.292 5.622 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -3.795 3.059 6.242 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -4.714 2.964 8.320 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -4.668 4.331 9.438 1.00 0.00 H new ATOM 1111 N ILE A 77 -1.342 3.533 3.931 1.00 0.00 N ATOM 1112 CA ILE A 77 -1.026 2.702 2.780 1.00 0.00 C ATOM 1113 C ILE A 77 -1.139 1.246 3.160 1.00 0.00 C ATOM 1114 O ILE A 77 -0.396 0.746 4.006 1.00 0.00 O ATOM 1115 CB ILE A 77 0.394 2.953 2.222 1.00 0.00 C ATOM 1116 CG1 ILE A 77 0.594 4.398 1.799 1.00 0.00 C ATOM 1117 CG2 ILE A 77 0.692 2.052 1.035 1.00 0.00 C ATOM 1118 CD1 ILE A 77 1.051 5.321 2.907 1.00 0.00 C ATOM 0 H ILE A 77 -0.554 3.707 4.554 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.741 2.966 2.001 1.00 0.00 H new ATOM 0 HB ILE A 77 1.082 2.724 3.036 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.327 4.429 0.993 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.344 4.777 1.392 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.698 2.255 0.668 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.622 1.009 1.343 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.030 2.245 0.241 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.168 6.331 2.514 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.309 5.326 3.706 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.006 4.972 3.300 1.00 0.00 H new ATOM 1130 N THR A 78 -2.083 0.581 2.552 1.00 0.00 N ATOM 1131 CA THR A 78 -2.306 -0.806 2.801 1.00 0.00 C ATOM 1132 C THR A 78 -1.864 -1.635 1.594 1.00 0.00 C ATOM 1133 O THR A 78 -2.424 -1.499 0.500 1.00 0.00 O ATOM 1134 CB THR A 78 -3.788 -1.039 3.097 1.00 0.00 C ATOM 1135 OG1 THR A 78 -4.203 -0.191 4.178 1.00 0.00 O ATOM 1136 CG2 THR A 78 -4.055 -2.491 3.459 1.00 0.00 C ATOM 0 H THR A 78 -2.718 0.993 1.868 1.00 0.00 H new ATOM 0 HA THR A 78 -1.718 -1.118 3.665 1.00 0.00 H new ATOM 0 HB THR A 78 -4.356 -0.800 2.198 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.153 -0.341 4.365 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.117 -2.625 3.664 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.762 -3.133 2.628 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.478 -2.757 4.345 1.00 0.00 H new ATOM 1144 N ILE A 79 -0.852 -2.482 1.788 1.00 0.00 N ATOM 1145 CA ILE A 79 -0.360 -3.325 0.694 1.00 0.00 C ATOM 1146 C ILE A 79 -1.032 -4.690 0.773 1.00 0.00 C ATOM 1147 O ILE A 79 -1.285 -5.205 1.855 1.00 0.00 O ATOM 1148 CB ILE A 79 1.183 -3.557 0.690 1.00 0.00 C ATOM 1149 CG1 ILE A 79 2.010 -2.296 0.893 1.00 0.00 C ATOM 1150 CG2 ILE A 79 1.623 -4.164 -0.616 1.00 0.00 C ATOM 1151 CD1 ILE A 79 1.615 -1.130 0.029 1.00 0.00 C ATOM 0 H ILE A 79 -0.363 -2.603 2.675 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.604 -2.785 -0.221 1.00 0.00 H new ATOM 0 HB ILE A 79 1.360 -4.221 1.536 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.936 -1.996 1.938 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.057 -2.532 0.702 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.702 -4.318 -0.600 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.121 -5.121 -0.760 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.365 -3.492 -1.435 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.262 -0.280 0.247 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.717 -1.404 -1.021 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.579 -0.860 0.234 1.00 0.00 H new ATOM 1163 N TYR A 80 -1.325 -5.261 -0.373 1.00 0.00 N ATOM 1164 CA TYR A 80 -1.965 -6.557 -0.447 1.00 0.00 C ATOM 1165 C TYR A 80 -1.200 -7.461 -1.400 1.00 0.00 C ATOM 1166 O TYR A 80 -1.185 -7.210 -2.608 1.00 0.00 O ATOM 1167 CB TYR A 80 -3.394 -6.426 -0.981 1.00 0.00 C ATOM 1168 CG TYR A 80 -4.298 -5.474 -0.227 1.00 0.00 C ATOM 1169 CD1 TYR A 80 -4.356 -4.117 -0.551 1.00 0.00 C ATOM 1170 CD2 TYR A 80 -5.128 -5.941 0.783 1.00 0.00 C ATOM 1171 CE1 TYR A 80 -5.214 -3.268 0.113 1.00 0.00 C ATOM 1172 CE2 TYR A 80 -5.983 -5.092 1.454 1.00 0.00 C ATOM 1173 CZ TYR A 80 -6.025 -3.758 1.113 1.00 0.00 C ATOM 1174 OH TYR A 80 -6.890 -2.910 1.769 1.00 0.00 O ATOM 0 H TYR A 80 -1.127 -4.841 -1.281 1.00 0.00 H new ATOM 0 HA TYR A 80 -1.978 -6.977 0.559 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -3.344 -6.102 -2.021 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -3.855 -7.414 -0.977 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -3.720 -3.728 -1.332 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -5.104 -6.988 1.048 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -5.251 -2.221 -0.150 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -6.616 -5.471 2.243 1.00 0.00 H new ATOM 0 HH TYR A 80 -7.391 -3.413 2.445 1.00 0.00 H new ATOM 1184 N ALA A 81 -0.586 -8.510 -0.877 1.00 0.00 N ATOM 1185 CA ALA A 81 -0.042 -9.547 -1.736 1.00 0.00 C ATOM 1186 C ALA A 81 -1.207 -10.406 -2.173 1.00 0.00 C ATOM 1187 O ALA A 81 -1.967 -10.894 -1.335 1.00 0.00 O ATOM 1188 CB ALA A 81 1.022 -10.390 -1.021 1.00 0.00 C ATOM 0 H ALA A 81 -0.453 -8.665 0.122 1.00 0.00 H new ATOM 0 HA ALA A 81 0.461 -9.097 -2.592 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.400 -11.152 -1.702 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.843 -9.747 -0.704 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.580 -10.870 -0.148 1.00 0.00 H new ATOM 1194 N VAL A 82 -1.405 -10.523 -3.470 1.00 0.00 N ATOM 1195 CA VAL A 82 -2.504 -11.337 -3.972 1.00 0.00 C ATOM 1196 C VAL A 82 -1.963 -12.577 -4.642 1.00 0.00 C ATOM 1197 O VAL A 82 -0.996 -12.504 -5.393 1.00 0.00 O ATOM 1198 CB VAL A 82 -3.449 -10.571 -4.944 1.00 0.00 C ATOM 1199 CG1 VAL A 82 -2.725 -10.036 -6.153 1.00 0.00 C ATOM 1200 CG2 VAL A 82 -4.592 -11.457 -5.402 1.00 0.00 C ATOM 0 H VAL A 82 -0.834 -10.076 -4.188 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.109 -11.611 -3.107 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.841 -9.724 -4.381 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.431 -9.511 -6.797 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.943 -9.347 -5.834 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.277 -10.863 -6.704 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.237 -10.898 -6.080 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.192 -12.329 -5.919 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.170 -11.782 -4.537 1.00 0.00 H new ATOM 1210 N GLU A 83 -2.572 -13.714 -4.348 1.00 0.00 N ATOM 1211 CA GLU A 83 -2.156 -14.972 -4.914 1.00 0.00 C ATOM 1212 C GLU A 83 -3.278 -15.512 -5.794 1.00 0.00 C ATOM 1213 O GLU A 83 -4.385 -14.973 -5.782 1.00 0.00 O ATOM 1214 CB GLU A 83 -1.786 -15.998 -3.839 1.00 0.00 C ATOM 1215 CG GLU A 83 -0.918 -15.482 -2.711 1.00 0.00 C ATOM 1216 CD GLU A 83 -1.633 -14.580 -1.728 1.00 0.00 C ATOM 1217 OE1 GLU A 83 -2.639 -15.013 -1.132 1.00 0.00 O ATOM 1218 OE2 GLU A 83 -1.175 -13.446 -1.532 1.00 0.00 O ATOM 0 H GLU A 83 -3.366 -13.784 -3.711 1.00 0.00 H new ATOM 0 HA GLU A 83 -1.258 -14.799 -5.508 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.706 -16.397 -3.412 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -1.270 -16.830 -4.319 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.505 -16.333 -2.169 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.076 -14.937 -3.138 1.00 0.00 H new ATOM 1225 N GLU A 84 -2.970 -16.563 -6.554 1.00 0.00 N ATOM 1226 CA GLU A 84 -3.862 -17.110 -7.584 1.00 0.00 C ATOM 1227 C GLU A 84 -5.342 -17.089 -7.192 1.00 0.00 C ATOM 1228 O GLU A 84 -6.172 -16.565 -7.937 1.00 0.00 O ATOM 1229 CB GLU A 84 -3.449 -18.540 -7.923 1.00 0.00 C ATOM 1230 CG GLU A 84 -2.000 -18.665 -8.364 1.00 0.00 C ATOM 1231 CD GLU A 84 -1.649 -20.066 -8.814 1.00 0.00 C ATOM 1232 OE1 GLU A 84 -1.270 -20.892 -7.955 1.00 0.00 O ATOM 1233 OE2 GLU A 84 -1.751 -20.353 -10.024 1.00 0.00 O ATOM 0 H GLU A 84 -2.086 -17.066 -6.473 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.757 -16.460 -8.453 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.611 -19.173 -7.050 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.095 -18.918 -8.715 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.811 -17.967 -9.179 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.347 -18.377 -7.540 1.00 0.00 H new ATOM 1240 N ASN A 85 -5.678 -17.645 -6.036 1.00 0.00 N ATOM 1241 CA ASN A 85 -7.078 -17.742 -5.634 1.00 0.00 C ATOM 1242 C ASN A 85 -7.318 -17.138 -4.255 1.00 0.00 C ATOM 1243 O ASN A 85 -8.414 -17.252 -3.708 1.00 0.00 O ATOM 1244 CB ASN A 85 -7.538 -19.206 -5.628 1.00 0.00 C ATOM 1245 CG ASN A 85 -7.570 -19.839 -7.009 1.00 0.00 C ATOM 1246 OD1 ASN A 85 -7.862 -19.046 -8.029 1.00 0.00 O flip ATOM 1247 ND2 ASN A 85 -7.339 -21.041 -7.155 1.00 0.00 N flip ATOM 0 H ASN A 85 -5.012 -18.031 -5.367 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.657 -17.176 -6.364 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -6.872 -19.785 -4.988 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -8.534 -19.264 -5.188 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -7.118 -21.620 -6.345 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -7.369 -21.457 -8.086 1.00 0.00 H new ATOM 1254 N GLN A 86 -6.311 -16.496 -3.687 1.00 0.00 N ATOM 1255 CA GLN A 86 -6.418 -16.009 -2.331 1.00 0.00 C ATOM 1256 C GLN A 86 -5.697 -14.676 -2.163 1.00 0.00 C ATOM 1257 O GLN A 86 -5.106 -14.163 -3.108 1.00 0.00 O ATOM 1258 CB GLN A 86 -5.874 -17.066 -1.366 1.00 0.00 C ATOM 1259 CG GLN A 86 -4.367 -17.298 -1.426 1.00 0.00 C ATOM 1260 CD GLN A 86 -3.926 -18.311 -2.474 1.00 0.00 C ATOM 1261 OE1 GLN A 86 -4.542 -18.471 -3.526 1.00 0.00 O ATOM 1262 NE2 GLN A 86 -2.841 -19.009 -2.187 1.00 0.00 N ATOM 0 H GLN A 86 -5.419 -16.303 -4.143 1.00 0.00 H new ATOM 0 HA GLN A 86 -7.468 -15.831 -2.100 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -6.139 -16.775 -0.349 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -6.378 -18.011 -1.569 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -3.873 -16.347 -1.627 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -4.024 -17.634 -0.447 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -2.352 -18.853 -1.305 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -2.492 -19.704 -2.847 1.00 0.00 H new ATOM 1271 N GLU A 87 -5.791 -14.107 -0.969 1.00 0.00 N ATOM 1272 CA GLU A 87 -5.158 -12.826 -0.663 1.00 0.00 C ATOM 1273 C GLU A 87 -4.483 -12.898 0.695 1.00 0.00 C ATOM 1274 O GLU A 87 -5.093 -13.340 1.671 1.00 0.00 O ATOM 1275 CB GLU A 87 -6.198 -11.706 -0.654 1.00 0.00 C ATOM 1276 CG GLU A 87 -6.820 -11.435 -2.010 1.00 0.00 C ATOM 1277 CD GLU A 87 -8.007 -10.506 -1.922 1.00 0.00 C ATOM 1278 OE1 GLU A 87 -7.811 -9.276 -1.913 1.00 0.00 O ATOM 1279 OE2 GLU A 87 -9.149 -11.007 -1.865 1.00 0.00 O ATOM 0 H GLU A 87 -6.304 -14.515 -0.188 1.00 0.00 H new ATOM 0 HA GLU A 87 -4.414 -12.613 -1.431 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.988 -11.962 0.052 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.730 -10.791 -0.291 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.070 -11.000 -2.671 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.132 -12.378 -2.459 1.00 0.00 H new ATOM 1286 N SER A 88 -3.228 -12.492 0.758 1.00 0.00 N ATOM 1287 CA SER A 88 -2.485 -12.529 2.005 1.00 0.00 C ATOM 1288 C SER A 88 -2.882 -11.383 2.930 1.00 0.00 C ATOM 1289 O SER A 88 -3.690 -10.522 2.568 1.00 0.00 O ATOM 1290 CB SER A 88 -0.983 -12.492 1.731 1.00 0.00 C ATOM 1291 OG SER A 88 -0.573 -13.636 1.006 1.00 0.00 O ATOM 0 H SER A 88 -2.702 -12.133 -0.039 1.00 0.00 H new ATOM 0 HA SER A 88 -2.732 -13.464 2.509 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.734 -11.592 1.169 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.439 -12.440 2.674 1.00 0.00 H new ATOM 0 HG SER A 88 -0.439 -13.396 0.065 1.00 0.00 H new ATOM 1297 N THR A 89 -2.314 -11.390 4.130 1.00 0.00 N ATOM 1298 CA THR A 89 -2.570 -10.360 5.120 1.00 0.00 C ATOM 1299 C THR A 89 -2.144 -8.981 4.610 1.00 0.00 C ATOM 1300 O THR A 89 -1.279 -8.863 3.744 1.00 0.00 O ATOM 1301 CB THR A 89 -1.834 -10.694 6.431 1.00 0.00 C ATOM 1302 OG1 THR A 89 -0.699 -11.530 6.153 1.00 0.00 O ATOM 1303 CG2 THR A 89 -2.761 -11.397 7.411 1.00 0.00 C ATOM 0 H THR A 89 -1.663 -12.112 4.441 1.00 0.00 H new ATOM 0 HA THR A 89 -3.643 -10.330 5.309 1.00 0.00 H new ATOM 0 HB THR A 89 -1.498 -9.761 6.883 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.233 -11.738 6.990 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.217 -11.622 8.329 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.607 -10.749 7.640 1.00 0.00 H new ATOM 0 HG23 THR A 89 -3.124 -12.324 6.967 1.00 0.00 H new ATOM 1311 N PRO A 90 -2.781 -7.920 5.110 1.00 0.00 N ATOM 1312 CA PRO A 90 -2.506 -6.562 4.663 1.00 0.00 C ATOM 1313 C PRO A 90 -1.340 -5.885 5.391 1.00 0.00 C ATOM 1314 O PRO A 90 -1.145 -6.053 6.597 1.00 0.00 O ATOM 1315 CB PRO A 90 -3.814 -5.843 4.978 1.00 0.00 C ATOM 1316 CG PRO A 90 -4.344 -6.538 6.188 1.00 0.00 C ATOM 1317 CD PRO A 90 -3.853 -7.958 6.123 1.00 0.00 C ATOM 0 HA PRO A 90 -2.204 -6.541 3.616 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.647 -4.783 5.171 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.513 -5.909 4.145 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -3.996 -6.050 7.098 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.433 -6.506 6.206 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -3.477 -8.295 7.089 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.650 -8.643 5.835 1.00 0.00 H new ATOM 1325 N VAL A 91 -0.576 -5.126 4.624 1.00 0.00 N ATOM 1326 CA VAL A 91 0.389 -4.179 5.152 1.00 0.00 C ATOM 1327 C VAL A 91 -0.344 -2.911 5.504 1.00 0.00 C ATOM 1328 O VAL A 91 -1.013 -2.355 4.642 1.00 0.00 O ATOM 1329 CB VAL A 91 1.410 -3.769 4.086 1.00 0.00 C ATOM 1330 CG1 VAL A 91 2.086 -2.470 4.493 1.00 0.00 C ATOM 1331 CG2 VAL A 91 2.438 -4.850 3.841 1.00 0.00 C ATOM 0 H VAL A 91 -0.609 -5.151 3.605 1.00 0.00 H new ATOM 0 HA VAL A 91 0.887 -4.648 6.000 1.00 0.00 H new ATOM 0 HB VAL A 91 0.874 -3.619 3.149 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.811 -2.183 3.731 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.336 -1.686 4.594 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.596 -2.609 5.446 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.142 -4.517 3.078 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.976 -5.056 4.766 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.938 -5.757 3.502 1.00 0.00 H new ATOM 1341 N VAL A 92 -0.236 -2.442 6.727 1.00 0.00 N ATOM 1342 CA VAL A 92 -0.774 -1.137 7.036 1.00 0.00 C ATOM 1343 C VAL A 92 0.333 -0.227 7.537 1.00 0.00 C ATOM 1344 O VAL A 92 0.805 -0.356 8.667 1.00 0.00 O ATOM 1345 CB VAL A 92 -1.914 -1.198 8.068 1.00 0.00 C ATOM 1346 CG1 VAL A 92 -2.611 0.150 8.154 1.00 0.00 C ATOM 1347 CG2 VAL A 92 -2.907 -2.295 7.711 1.00 0.00 C ATOM 0 H VAL A 92 0.207 -2.930 7.505 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.196 -0.735 6.115 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.489 -1.435 9.043 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.416 0.097 8.887 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.893 0.912 8.458 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.024 0.409 7.179 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.704 -2.320 8.454 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.333 -2.094 6.728 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.396 -3.257 7.695 1.00 0.00 H new ATOM 1357 N ILE A 93 0.746 0.686 6.678 1.00 0.00 N ATOM 1358 CA ILE A 93 1.754 1.669 7.021 1.00 0.00 C ATOM 1359 C ILE A 93 1.180 3.061 6.827 1.00 0.00 C ATOM 1360 O ILE A 93 0.906 3.485 5.705 1.00 0.00 O ATOM 1361 CB ILE A 93 3.040 1.500 6.176 1.00 0.00 C ATOM 1362 CG1 ILE A 93 2.709 1.357 4.697 1.00 0.00 C ATOM 1363 CG2 ILE A 93 3.828 0.295 6.657 1.00 0.00 C ATOM 1364 CD1 ILE A 93 3.890 1.626 3.807 1.00 0.00 C ATOM 0 H ILE A 93 0.392 0.766 5.725 1.00 0.00 H new ATOM 0 HA ILE A 93 2.032 1.521 8.064 1.00 0.00 H new ATOM 0 HB ILE A 93 3.649 2.396 6.301 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.339 0.349 4.508 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.903 2.045 4.442 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.730 0.186 6.055 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.104 0.434 7.702 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.217 -0.602 6.559 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.594 1.509 2.764 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.245 2.643 3.971 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.688 0.921 4.039 1.00 0.00 H new ATOM 1376 N GLN A 94 0.969 3.764 7.917 1.00 0.00 N ATOM 1377 CA GLN A 94 0.309 5.047 7.848 1.00 0.00 C ATOM 1378 C GLN A 94 1.313 6.188 7.922 1.00 0.00 C ATOM 1379 O GLN A 94 1.998 6.385 8.926 1.00 0.00 O ATOM 1380 CB GLN A 94 -0.766 5.161 8.935 1.00 0.00 C ATOM 1381 CG GLN A 94 -0.237 5.068 10.357 1.00 0.00 C ATOM 1382 CD GLN A 94 -1.347 5.023 11.386 1.00 0.00 C ATOM 1383 OE1 GLN A 94 -1.796 6.057 11.884 1.00 0.00 O ATOM 1384 NE2 GLN A 94 -1.790 3.822 11.716 1.00 0.00 N ATOM 0 H GLN A 94 1.243 3.471 8.855 1.00 0.00 H new ATOM 0 HA GLN A 94 -0.189 5.124 6.882 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -1.286 6.112 8.816 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -1.504 4.373 8.783 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.381 4.175 10.454 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.407 5.924 10.559 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -1.389 2.993 11.278 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -2.533 3.725 12.408 1.00 0.00 H new ATOM 1393 N GLN A 95 1.401 6.923 6.833 1.00 0.00 N ATOM 1394 CA GLN A 95 2.278 8.068 6.740 1.00 0.00 C ATOM 1395 C GLN A 95 1.458 9.325 6.497 1.00 0.00 C ATOM 1396 O GLN A 95 0.631 9.374 5.589 1.00 0.00 O ATOM 1397 CB GLN A 95 3.291 7.874 5.610 1.00 0.00 C ATOM 1398 CG GLN A 95 4.733 7.807 6.087 1.00 0.00 C ATOM 1399 CD GLN A 95 5.166 9.038 6.866 1.00 0.00 C ATOM 1400 OE1 GLN A 95 4.604 10.192 6.537 1.00 0.00 O flip ATOM 1401 NE2 GLN A 95 6.007 8.953 7.756 1.00 0.00 N flip ATOM 0 H GLN A 95 0.864 6.741 5.985 1.00 0.00 H new ATOM 0 HA GLN A 95 2.823 8.172 7.678 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.052 6.956 5.073 1.00 0.00 H new ATOM 0 HB3 GLN A 95 3.190 8.694 4.899 1.00 0.00 H new ATOM 0 HG2 GLN A 95 4.860 6.925 6.715 1.00 0.00 H new ATOM 0 HG3 GLN A 95 5.388 7.682 5.225 1.00 0.00 H new ATOM 0 HE21 GLN A 95 6.419 8.048 7.983 1.00 0.00 H new ATOM 0 HE22 GLN A 95 6.294 9.787 8.268 1.00 0.00 H new ATOM 1410 N GLU A 96 1.657 10.322 7.333 1.00 0.00 N ATOM 1411 CA GLU A 96 0.983 11.593 7.168 1.00 0.00 C ATOM 1412 C GLU A 96 1.821 12.506 6.291 1.00 0.00 C ATOM 1413 O GLU A 96 3.026 12.658 6.506 1.00 0.00 O ATOM 1414 CB GLU A 96 0.714 12.229 8.532 1.00 0.00 C ATOM 1415 CG GLU A 96 0.127 13.628 8.472 1.00 0.00 C ATOM 1416 CD GLU A 96 -0.216 14.165 9.847 1.00 0.00 C ATOM 1417 OE1 GLU A 96 0.678 14.193 10.722 1.00 0.00 O ATOM 1418 OE2 GLU A 96 -1.375 14.571 10.060 1.00 0.00 O ATOM 0 H GLU A 96 2.283 10.277 8.137 1.00 0.00 H new ATOM 0 HA GLU A 96 0.022 11.434 6.679 1.00 0.00 H new ATOM 0 HB2 GLU A 96 0.032 11.587 9.090 1.00 0.00 H new ATOM 0 HB3 GLU A 96 1.648 12.265 9.092 1.00 0.00 H new ATOM 0 HG2 GLU A 96 0.838 14.298 7.989 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -0.771 13.617 7.854 1.00 0.00 H new ATOM 1425 N THR A 97 1.181 13.080 5.289 1.00 0.00 N ATOM 1426 CA THR A 97 1.856 13.939 4.340 1.00 0.00 C ATOM 1427 C THR A 97 2.400 15.177 5.041 1.00 0.00 C ATOM 1428 O THR A 97 1.750 15.748 5.919 1.00 0.00 O ATOM 1429 CB THR A 97 0.895 14.345 3.209 1.00 0.00 C ATOM 1430 OG1 THR A 97 -0.288 14.933 3.761 1.00 0.00 O ATOM 1431 CG2 THR A 97 0.511 13.131 2.376 1.00 0.00 C ATOM 0 H THR A 97 0.183 12.963 5.112 1.00 0.00 H new ATOM 0 HA THR A 97 2.691 13.389 3.906 1.00 0.00 H new ATOM 0 HB THR A 97 1.401 15.070 2.571 1.00 0.00 H new ATOM 0 HG1 THR A 97 -0.978 14.991 3.068 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.169 13.436 1.581 1.00 0.00 H new ATOM 0 HG22 THR A 97 1.407 12.692 1.938 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.019 12.395 3.011 1.00 0.00 H new ATOM 1439 N THR A 98 3.598 15.583 4.638 1.00 0.00 N ATOM 1440 CA THR A 98 4.310 16.666 5.298 1.00 0.00 C ATOM 1441 C THR A 98 3.594 17.990 5.079 1.00 0.00 C ATOM 1442 O THR A 98 3.646 18.876 5.931 1.00 0.00 O ATOM 1443 CB THR A 98 5.740 16.767 4.746 1.00 0.00 C ATOM 1444 OG1 THR A 98 6.295 15.451 4.608 1.00 0.00 O ATOM 1445 CG2 THR A 98 6.625 17.598 5.663 1.00 0.00 C ATOM 0 H THR A 98 4.099 15.173 3.850 1.00 0.00 H new ATOM 0 HA THR A 98 4.343 16.452 6.366 1.00 0.00 H new ATOM 0 HB THR A 98 5.698 17.257 3.773 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.536 15.294 3.671 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.631 17.652 5.247 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.214 18.604 5.751 1.00 0.00 H new ATOM 0 HG23 THR A 98 6.665 17.134 6.649 1.00 0.00 H new