USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 888 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 121 SER OG : rot 58:sc= 1.17 USER MOD Set 1.2: A 125 GLN : amide:sc= -0.164 K(o=1,f=-1.7!) USER MOD Set 2.1: A 23 ASN :FLIP amide:sc= -1.08 F(o=-2.8!,f=-1.7) USER MOD Set 2.2: A 30 THR OG1 : rot 180:sc= 0.00507 USER MOD Set 2.3: A 92 SER OG : rot 144:sc= -0.622! USER MOD Set 3.1: A 64 ASN : amide:sc= -1.46! C(o=-4.7!,f=-13!) USER MOD Set 3.2: A 65 ASN : amide:sc= -3.23! C(o=-4.7!,f=-5.2!) USER MOD Set 4.1: A 49 GLN : amide:sc= -0.167 K(o=-0.17,f=-0.85) USER MOD Set 4.2: A 58 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 29 SER OG : rot -169:sc= 2.28 USER MOD Set 5.2: A 143 SER OG : rot -168:sc= -0.937! USER MOD Set 6.1: A 14 SER OG : rot 180:sc= 0.123 USER MOD Set 6.2: A 104 ASN : amide:sc= 0.625 K(o=0.75,f=-0.42) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0.322 K(o=0.32,f=-5.2!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.109 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 108:sc= 0.44 USER MOD Single : A 40 SER OG : rot -120:sc= 0.849 USER MOD Single : A 41 GLN :FLIP amide:sc= -0.301 F(o=-2.5,f=-0.3) USER MOD Single : A 42 GLN : amide:sc=-0.00884 K(o=-0.0088,f=-0.69) USER MOD Single : A 45 SER OG : rot -22:sc= 1.23 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -2.21! C(o=-2.2!,f=-5.1!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -99:sc= 0.857 USER MOD Single : A 72 GLN : amide:sc= 0.774 K(o=0.77,f=-4.8!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 100:sc=-0.000169 USER MOD Single : A 88 GLN : amide:sc= -4.11! C(o=-4.1!,f=-5.6!) USER MOD Single : A 91 SER OG : rot 108:sc= 1.22 USER MOD Single : A 96 ASN :FLIP amide:sc= -0.364 F(o=-1.2,f=-0.36) USER MOD Single : A 101 ASN : amide:sc= -0.199 X(o=-0.2,f=-0.064) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 91:sc= 1.23 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 ASN : amide:sc= -1.93 K(o=-1.9,f=-2.5!) USER MOD Single : A 122 SER OG : rot 180:sc= 0.0213 USER MOD Single : A 130 ASN : amide:sc= -0.147 K(o=-0.15,f=-4.5!) USER MOD Single : A 133 SER OG : rot 180:sc= -0.216 USER MOD Single : A 135 SER OG : rot -170:sc= 0 USER MOD Single : A 137 GLN :FLIP amide:sc= -0.346 F(o=-2.9!,f=-0.35) USER MOD Single : A 138 SER OG : rot 133:sc= 0.987 USER MOD Single : A 141 SER OG : rot 86:sc= 1.29 USER MOD Single : A 142 SER OG : rot 85:sc= 1.08 USER MOD Single : A 144 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 123 N GLY A 12 -2.481 -6.236 -13.971 1.00 0.00 N ATOM 124 CA GLY A 12 -1.996 -7.529 -14.422 1.00 0.00 C ATOM 125 C GLY A 12 -0.515 -7.539 -14.752 1.00 0.00 C ATOM 126 O GLY A 12 0.213 -8.436 -14.320 1.00 0.00 O ATOM 0 HA2 GLY A 12 -2.193 -8.272 -13.649 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.559 -7.831 -15.305 1.00 0.00 H new ATOM 130 N ALA A 13 -0.059 -6.544 -15.504 1.00 0.00 N ATOM 131 CA ALA A 13 1.349 -6.477 -15.901 1.00 0.00 C ATOM 132 C ALA A 13 2.249 -6.283 -14.694 1.00 0.00 C ATOM 133 O ALA A 13 3.339 -6.851 -14.616 1.00 0.00 O ATOM 134 CB ALA A 13 1.574 -5.362 -16.909 1.00 0.00 C ATOM 0 H ALA A 13 -0.635 -5.777 -15.850 1.00 0.00 H new ATOM 0 HA ALA A 13 1.606 -7.427 -16.370 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.627 -5.332 -17.189 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.968 -5.546 -17.796 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.289 -4.408 -16.466 1.00 0.00 H new ATOM 140 N SER A 14 1.787 -5.484 -13.748 1.00 0.00 N ATOM 141 CA SER A 14 2.553 -5.228 -12.549 1.00 0.00 C ATOM 142 C SER A 14 2.579 -6.447 -11.622 1.00 0.00 C ATOM 143 O SER A 14 3.562 -6.675 -10.929 1.00 0.00 O ATOM 144 CB SER A 14 1.998 -4.010 -11.814 1.00 0.00 C ATOM 145 OG SER A 14 2.113 -2.842 -12.610 1.00 0.00 O ATOM 0 H SER A 14 0.888 -5.004 -13.790 1.00 0.00 H new ATOM 0 HA SER A 14 3.580 -5.023 -12.850 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.952 -4.180 -11.559 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.536 -3.870 -10.876 1.00 0.00 H new ATOM 0 HG SER A 14 1.750 -2.075 -12.120 1.00 0.00 H new ATOM 151 N ALA A 15 1.509 -7.243 -11.652 1.00 0.00 N ATOM 152 CA ALA A 15 1.369 -8.410 -10.768 1.00 0.00 C ATOM 153 C ALA A 15 2.534 -9.398 -10.888 1.00 0.00 C ATOM 154 O ALA A 15 2.832 -10.128 -9.947 1.00 0.00 O ATOM 155 CB ALA A 15 0.052 -9.119 -11.035 1.00 0.00 C ATOM 0 H ALA A 15 0.720 -7.102 -12.282 1.00 0.00 H new ATOM 0 HA ALA A 15 1.382 -8.030 -9.746 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.038 -9.981 -10.374 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.775 -8.433 -10.851 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.022 -9.453 -12.072 1.00 0.00 H new ATOM 161 N GLY A 16 3.179 -9.426 -12.037 1.00 0.00 N ATOM 162 CA GLY A 16 4.291 -10.332 -12.225 1.00 0.00 C ATOM 163 C GLY A 16 5.620 -9.740 -11.790 1.00 0.00 C ATOM 164 O GLY A 16 6.453 -10.427 -11.198 1.00 0.00 O ATOM 0 H GLY A 16 2.956 -8.841 -12.842 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.106 -11.247 -11.662 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.351 -10.611 -13.277 1.00 0.00 H new ATOM 168 N LEU A 17 5.816 -8.462 -12.064 1.00 0.00 N ATOM 169 CA LEU A 17 7.088 -7.809 -11.775 1.00 0.00 C ATOM 170 C LEU A 17 7.208 -7.320 -10.326 1.00 0.00 C ATOM 171 O LEU A 17 8.317 -7.172 -9.827 1.00 0.00 O ATOM 172 CB LEU A 17 7.355 -6.661 -12.779 1.00 0.00 C ATOM 173 CG LEU A 17 6.211 -5.649 -13.011 1.00 0.00 C ATOM 174 CD1 LEU A 17 6.088 -4.659 -11.861 1.00 0.00 C ATOM 175 CD2 LEU A 17 6.407 -4.912 -14.328 1.00 0.00 C ATOM 0 H LEU A 17 5.114 -7.854 -12.486 1.00 0.00 H new ATOM 0 HA LEU A 17 7.859 -8.569 -11.897 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.231 -6.109 -12.437 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.614 -7.105 -13.740 1.00 0.00 H new ATOM 0 HG LEU A 17 5.281 -6.215 -13.058 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.272 -3.965 -12.064 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.884 -5.199 -10.936 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.020 -4.103 -11.758 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.591 -4.204 -14.474 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.355 -4.374 -14.306 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.415 -5.629 -15.149 1.00 0.00 H new ATOM 187 N ILE A 18 6.068 -7.107 -9.655 1.00 0.00 N ATOM 188 CA ILE A 18 6.032 -6.543 -8.278 1.00 0.00 C ATOM 189 C ILE A 18 7.083 -7.133 -7.329 1.00 0.00 C ATOM 190 O ILE A 18 7.724 -6.396 -6.582 1.00 0.00 O ATOM 191 CB ILE A 18 4.639 -6.691 -7.617 1.00 0.00 C ATOM 192 CG1 ILE A 18 4.084 -8.108 -7.829 1.00 0.00 C ATOM 193 CG2 ILE A 18 3.674 -5.632 -8.132 1.00 0.00 C ATOM 194 CD1 ILE A 18 2.763 -8.365 -7.138 1.00 0.00 C ATOM 0 H ILE A 18 5.146 -7.315 -10.038 1.00 0.00 H new ATOM 0 HA ILE A 18 6.265 -5.489 -8.426 1.00 0.00 H new ATOM 0 HB ILE A 18 4.753 -6.535 -6.544 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.962 -8.283 -8.898 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.816 -8.831 -7.469 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.704 -5.759 -7.651 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.065 -4.641 -7.903 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.561 -5.737 -9.211 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.441 -9.387 -7.338 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.881 -8.225 -6.063 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.014 -7.668 -7.514 1.00 0.00 H new ATOM 206 N SER A 19 7.264 -8.435 -7.366 1.00 0.00 N ATOM 207 CA SER A 19 8.177 -9.092 -6.448 1.00 0.00 C ATOM 208 C SER A 19 9.651 -8.850 -6.817 1.00 0.00 C ATOM 209 O SER A 19 10.517 -8.881 -5.952 1.00 0.00 O ATOM 210 CB SER A 19 7.878 -10.594 -6.394 1.00 0.00 C ATOM 211 OG SER A 19 8.637 -11.236 -5.382 1.00 0.00 O ATOM 0 H SER A 19 6.794 -9.061 -8.019 1.00 0.00 H new ATOM 0 HA SER A 19 8.019 -8.656 -5.462 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.815 -10.749 -6.207 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.101 -11.046 -7.360 1.00 0.00 H new ATOM 0 HG SER A 19 8.424 -12.192 -5.370 1.00 0.00 H new ATOM 217 N ARG A 20 9.920 -8.623 -8.092 1.00 0.00 N ATOM 218 CA ARG A 20 11.284 -8.428 -8.570 1.00 0.00 C ATOM 219 C ARG A 20 11.711 -6.961 -8.487 1.00 0.00 C ATOM 220 O ARG A 20 12.905 -6.654 -8.440 1.00 0.00 O ATOM 221 CB ARG A 20 11.418 -8.958 -9.993 1.00 0.00 C ATOM 222 CG ARG A 20 11.047 -10.426 -10.122 1.00 0.00 C ATOM 223 CD ARG A 20 11.094 -10.885 -11.562 1.00 0.00 C ATOM 224 NE ARG A 20 10.676 -12.280 -11.711 1.00 0.00 N ATOM 225 CZ ARG A 20 10.428 -12.867 -12.883 1.00 0.00 C ATOM 226 NH1 ARG A 20 10.545 -12.175 -14.010 1.00 0.00 N ATOM 227 NH2 ARG A 20 10.060 -14.143 -12.927 1.00 0.00 N ATOM 0 H ARG A 20 9.209 -8.569 -8.821 1.00 0.00 H new ATOM 0 HA ARG A 20 11.954 -8.991 -7.920 1.00 0.00 H new ATOM 0 HB2 ARG A 20 10.782 -8.370 -10.654 1.00 0.00 H new ATOM 0 HB3 ARG A 20 12.445 -8.818 -10.331 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.731 -11.029 -9.524 1.00 0.00 H new ATOM 0 HG3 ARG A 20 10.046 -10.586 -9.720 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.449 -10.247 -12.166 1.00 0.00 H new ATOM 0 HD3 ARG A 20 12.107 -10.768 -11.946 1.00 0.00 H new ATOM 0 HE ARG A 20 10.567 -12.839 -10.865 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.825 -11.195 -13.980 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.355 -12.624 -14.906 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.966 -14.677 -12.063 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.871 -14.589 -13.825 1.00 0.00 H new ATOM 241 N VAL A 21 10.718 -6.063 -8.484 1.00 0.00 N ATOM 242 CA VAL A 21 10.948 -4.610 -8.411 1.00 0.00 C ATOM 243 C VAL A 21 11.744 -4.236 -7.113 1.00 0.00 C ATOM 244 O VAL A 21 12.031 -5.096 -6.298 1.00 0.00 O ATOM 245 CB VAL A 21 9.565 -3.836 -8.486 1.00 0.00 C ATOM 246 CG1 VAL A 21 9.718 -2.320 -8.464 1.00 0.00 C ATOM 247 CG2 VAL A 21 8.806 -4.240 -9.732 1.00 0.00 C ATOM 0 H VAL A 21 9.732 -6.320 -8.532 1.00 0.00 H new ATOM 0 HA VAL A 21 11.555 -4.306 -9.264 1.00 0.00 H new ATOM 0 HB VAL A 21 9.011 -4.118 -7.591 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.734 -1.854 -8.518 1.00 0.00 H new ATOM 0 HG12 VAL A 21 10.212 -2.018 -7.541 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.317 -2.002 -9.317 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.859 -3.702 -9.772 1.00 0.00 H new ATOM 0 HG22 VAL A 21 9.399 -3.997 -10.614 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.613 -5.313 -9.709 1.00 0.00 H new ATOM 257 N ALA A 22 12.074 -2.945 -6.961 1.00 0.00 N ATOM 258 CA ALA A 22 12.876 -2.391 -5.843 1.00 0.00 C ATOM 259 C ALA A 22 12.627 -3.042 -4.462 1.00 0.00 C ATOM 260 O ALA A 22 13.545 -3.107 -3.645 1.00 0.00 O ATOM 261 CB ALA A 22 12.659 -0.888 -5.753 1.00 0.00 C ATOM 0 H ALA A 22 11.785 -2.230 -7.629 1.00 0.00 H new ATOM 0 HA ALA A 22 13.912 -2.629 -6.086 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.249 -0.484 -4.931 1.00 0.00 H new ATOM 0 HB2 ALA A 22 12.969 -0.419 -6.687 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.603 -0.683 -5.577 1.00 0.00 H new ATOM 267 N ASN A 23 11.406 -3.512 -4.196 1.00 0.00 N ATOM 268 CA ASN A 23 11.110 -4.157 -2.905 1.00 0.00 C ATOM 269 C ASN A 23 11.926 -5.427 -2.719 1.00 0.00 C ATOM 270 O ASN A 23 12.181 -5.842 -1.604 1.00 0.00 O ATOM 271 CB ASN A 23 9.619 -4.455 -2.745 1.00 0.00 C ATOM 272 CG ASN A 23 8.887 -3.358 -1.989 1.00 0.00 C ATOM 273 OD1 ASN A 23 8.403 -2.369 -2.710 1.00 0.00 O flip ATOM 274 ND2 ASN A 23 8.759 -3.405 -0.766 1.00 0.00 N flip ATOM 0 H ASN A 23 10.617 -3.462 -4.840 1.00 0.00 H new ATOM 0 HA ASN A 23 11.395 -3.448 -2.128 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.168 -4.577 -3.730 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.495 -5.401 -2.218 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.149 -4.189 -0.242 1.00 0.00 H new ATOM 0 HD22 ASN A 23 8.263 -2.660 -0.276 1.00 0.00 H new ATOM 281 N ALA A 24 12.341 -6.032 -3.824 1.00 0.00 N ATOM 282 CA ALA A 24 13.174 -7.219 -3.775 1.00 0.00 C ATOM 283 C ALA A 24 14.516 -6.891 -3.142 1.00 0.00 C ATOM 284 O ALA A 24 15.152 -7.744 -2.537 1.00 0.00 O ATOM 285 CB ALA A 24 13.374 -7.784 -5.169 1.00 0.00 C ATOM 0 H ALA A 24 12.112 -5.717 -4.767 1.00 0.00 H new ATOM 0 HA ALA A 24 12.673 -7.971 -3.166 1.00 0.00 H new ATOM 0 HB1 ALA A 24 14.001 -8.674 -5.114 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.407 -8.047 -5.597 1.00 0.00 H new ATOM 0 HB3 ALA A 24 13.858 -7.037 -5.798 1.00 0.00 H new ATOM 291 N LEU A 25 14.937 -5.640 -3.286 1.00 0.00 N ATOM 292 CA LEU A 25 16.176 -5.182 -2.689 1.00 0.00 C ATOM 293 C LEU A 25 15.917 -4.801 -1.238 1.00 0.00 C ATOM 294 O LEU A 25 16.717 -5.099 -0.346 1.00 0.00 O ATOM 295 CB LEU A 25 16.737 -3.987 -3.462 1.00 0.00 C ATOM 296 CG LEU A 25 18.136 -3.527 -3.048 1.00 0.00 C ATOM 297 CD1 LEU A 25 19.173 -4.590 -3.392 1.00 0.00 C ATOM 298 CD2 LEU A 25 18.478 -2.204 -3.713 1.00 0.00 C ATOM 0 H LEU A 25 14.434 -4.926 -3.813 1.00 0.00 H new ATOM 0 HA LEU A 25 16.913 -5.984 -2.729 1.00 0.00 H new ATOM 0 HB2 LEU A 25 16.757 -4.240 -4.522 1.00 0.00 H new ATOM 0 HB3 LEU A 25 16.050 -3.149 -3.347 1.00 0.00 H new ATOM 0 HG LEU A 25 18.147 -3.380 -1.968 1.00 0.00 H new ATOM 0 HD11 LEU A 25 20.162 -4.245 -3.090 1.00 0.00 H new ATOM 0 HD12 LEU A 25 18.935 -5.514 -2.866 1.00 0.00 H new ATOM 0 HD13 LEU A 25 19.165 -4.772 -4.467 1.00 0.00 H new ATOM 0 HD21 LEU A 25 19.476 -1.891 -3.408 1.00 0.00 H new ATOM 0 HD22 LEU A 25 18.450 -2.323 -4.796 1.00 0.00 H new ATOM 0 HD23 LEU A 25 17.753 -1.448 -3.413 1.00 0.00 H new ATOM 310 N ALA A 26 14.782 -4.145 -1.008 1.00 0.00 N ATOM 311 CA ALA A 26 14.361 -3.785 0.334 1.00 0.00 C ATOM 312 C ALA A 26 13.711 -4.994 0.988 1.00 0.00 C ATOM 313 O ALA A 26 12.498 -5.048 1.154 1.00 0.00 O ATOM 314 CB ALA A 26 13.397 -2.600 0.300 1.00 0.00 C ATOM 0 H ALA A 26 14.137 -3.853 -1.742 1.00 0.00 H new ATOM 0 HA ALA A 26 15.230 -3.482 0.918 1.00 0.00 H new ATOM 0 HB1 ALA A 26 13.095 -2.348 1.316 1.00 0.00 H new ATOM 0 HB2 ALA A 26 13.891 -1.742 -0.155 1.00 0.00 H new ATOM 0 HB3 ALA A 26 12.516 -2.864 -0.285 1.00 0.00 H new ATOM 320 N ASN A 27 14.554 -5.952 1.357 1.00 0.00 N ATOM 321 CA ASN A 27 14.154 -7.272 1.891 1.00 0.00 C ATOM 322 C ASN A 27 13.385 -7.207 3.253 1.00 0.00 C ATOM 323 O ASN A 27 13.314 -8.202 3.983 1.00 0.00 O ATOM 324 CB ASN A 27 15.408 -8.162 2.022 1.00 0.00 C ATOM 325 CG ASN A 27 15.089 -9.644 1.919 1.00 0.00 C ATOM 326 OD1 ASN A 27 14.767 -10.294 2.908 1.00 0.00 O ATOM 327 ND2 ASN A 27 15.203 -10.188 0.727 1.00 0.00 N ATOM 0 H ASN A 27 15.566 -5.840 1.296 1.00 0.00 H new ATOM 0 HA ASN A 27 13.446 -7.699 1.181 1.00 0.00 H new ATOM 0 HB2 ASN A 27 16.122 -7.893 1.243 1.00 0.00 H new ATOM 0 HB3 ASN A 27 15.891 -7.964 2.979 1.00 0.00 H new ATOM 0 HD21 ASN A 27 15.021 -11.184 0.601 1.00 0.00 H new ATOM 0 HD22 ASN A 27 15.473 -9.614 -0.072 1.00 0.00 H new ATOM 334 N THR A 28 12.821 -6.049 3.580 1.00 0.00 N ATOM 335 CA THR A 28 12.082 -5.853 4.826 1.00 0.00 C ATOM 336 C THR A 28 10.815 -6.748 4.903 1.00 0.00 C ATOM 337 O THR A 28 10.514 -7.525 3.989 1.00 0.00 O ATOM 338 CB THR A 28 11.670 -4.375 4.986 1.00 0.00 C ATOM 339 OG1 THR A 28 12.427 -3.562 4.077 1.00 0.00 O ATOM 340 CG2 THR A 28 11.915 -3.900 6.415 1.00 0.00 C ATOM 0 H THR A 28 12.862 -5.218 2.990 1.00 0.00 H new ATOM 0 HA THR A 28 12.752 -6.140 5.637 1.00 0.00 H new ATOM 0 HB THR A 28 10.607 -4.286 4.764 1.00 0.00 H new ATOM 0 HG1 THR A 28 12.162 -2.624 4.179 1.00 0.00 H new ATOM 0 HG21 THR A 28 11.618 -2.855 6.507 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.329 -4.506 7.105 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.974 -3.999 6.655 1.00 0.00 H new ATOM 348 N SER A 29 10.077 -6.607 5.996 1.00 0.00 N ATOM 349 CA SER A 29 8.893 -7.414 6.265 1.00 0.00 C ATOM 350 C SER A 29 7.734 -7.154 5.284 1.00 0.00 C ATOM 351 O SER A 29 6.856 -8.002 5.139 1.00 0.00 O ATOM 352 CB SER A 29 8.419 -7.147 7.684 1.00 0.00 C ATOM 353 OG SER A 29 9.487 -7.251 8.602 1.00 0.00 O ATOM 0 H SER A 29 10.284 -5.925 6.726 1.00 0.00 H new ATOM 0 HA SER A 29 9.186 -8.456 6.135 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.980 -6.151 7.743 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.636 -7.857 7.949 1.00 0.00 H new ATOM 0 HG SER A 29 9.134 -7.252 9.516 1.00 0.00 H new ATOM 359 N THR A 30 7.754 -6.001 4.617 1.00 0.00 N ATOM 360 CA THR A 30 6.664 -5.576 3.718 1.00 0.00 C ATOM 361 C THR A 30 6.278 -6.645 2.685 1.00 0.00 C ATOM 362 O THR A 30 5.157 -7.137 2.676 1.00 0.00 O ATOM 363 CB THR A 30 7.049 -4.277 2.990 1.00 0.00 C ATOM 364 OG1 THR A 30 8.416 -4.363 2.542 1.00 0.00 O ATOM 365 CG2 THR A 30 6.892 -3.080 3.911 1.00 0.00 C ATOM 0 H THR A 30 8.521 -5.331 4.679 1.00 0.00 H new ATOM 0 HA THR A 30 5.793 -5.411 4.352 1.00 0.00 H new ATOM 0 HB THR A 30 6.387 -4.148 2.134 1.00 0.00 H new ATOM 0 HG1 THR A 30 8.660 -3.536 2.077 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.169 -2.171 3.377 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.855 -3.006 4.238 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.539 -3.202 4.780 1.00 0.00 H new ATOM 373 N LEU A 31 7.207 -6.995 1.829 1.00 0.00 N ATOM 374 CA LEU A 31 6.959 -7.993 0.808 1.00 0.00 C ATOM 375 C LEU A 31 7.088 -9.392 1.399 1.00 0.00 C ATOM 376 O LEU A 31 6.577 -10.368 0.849 1.00 0.00 O ATOM 377 CB LEU A 31 7.935 -7.831 -0.367 1.00 0.00 C ATOM 378 CG LEU A 31 9.419 -8.081 -0.058 1.00 0.00 C ATOM 379 CD1 LEU A 31 10.166 -8.464 -1.323 1.00 0.00 C ATOM 380 CD2 LEU A 31 10.064 -6.854 0.575 1.00 0.00 C ATOM 0 H LEU A 31 8.148 -6.603 1.817 1.00 0.00 H new ATOM 0 HA LEU A 31 5.944 -7.852 0.435 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.631 -8.513 -1.161 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.833 -6.819 -0.760 1.00 0.00 H new ATOM 0 HG LEU A 31 9.477 -8.904 0.654 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.216 -8.638 -1.087 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.733 -9.373 -1.740 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.087 -7.657 -2.051 1.00 0.00 H new ATOM 0 HD21 LEU A 31 11.114 -7.061 0.782 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.989 -6.009 -0.110 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.551 -6.613 1.506 1.00 0.00 H new ATOM 392 N ARG A 32 7.785 -9.472 2.525 1.00 0.00 N ATOM 393 CA ARG A 32 8.063 -10.739 3.178 1.00 0.00 C ATOM 394 C ARG A 32 6.802 -11.386 3.763 1.00 0.00 C ATOM 395 O ARG A 32 6.580 -12.578 3.573 1.00 0.00 O ATOM 396 CB ARG A 32 9.118 -10.550 4.269 1.00 0.00 C ATOM 397 CG ARG A 32 9.578 -11.844 4.921 1.00 0.00 C ATOM 398 CD ARG A 32 10.596 -11.581 6.023 1.00 0.00 C ATOM 399 NE ARG A 32 11.822 -10.950 5.515 1.00 0.00 N ATOM 400 CZ ARG A 32 13.020 -11.053 6.106 1.00 0.00 C ATOM 401 NH1 ARG A 32 13.147 -11.726 7.243 1.00 0.00 N ATOM 402 NH2 ARG A 32 14.081 -10.473 5.566 1.00 0.00 N ATOM 0 H ARG A 32 8.172 -8.661 3.008 1.00 0.00 H new ATOM 0 HA ARG A 32 8.446 -11.417 2.416 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.983 -10.045 3.839 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.715 -9.892 5.039 1.00 0.00 H new ATOM 0 HG2 ARG A 32 8.718 -12.370 5.336 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.017 -12.497 4.167 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.148 -10.939 6.782 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.850 -12.522 6.511 1.00 0.00 H new ATOM 0 HE ARG A 32 11.757 -10.399 4.659 1.00 0.00 H new ATOM 0 HH11 ARG A 32 12.331 -12.166 7.669 1.00 0.00 H new ATOM 0 HH12 ARG A 32 14.060 -11.803 7.691 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.988 -9.946 4.698 1.00 0.00 H new ATOM 0 HH22 ARG A 32 14.992 -10.553 6.018 1.00 0.00 H new ATOM 416 N THR A 33 5.980 -10.608 4.472 1.00 0.00 N ATOM 417 CA THR A 33 4.779 -11.170 5.099 1.00 0.00 C ATOM 418 C THR A 33 3.936 -10.105 5.811 1.00 0.00 C ATOM 419 O THR A 33 2.702 -10.182 5.822 1.00 0.00 O ATOM 420 CB THR A 33 5.144 -12.304 6.106 1.00 0.00 C ATOM 421 OG1 THR A 33 3.959 -12.866 6.676 1.00 0.00 O ATOM 422 CG2 THR A 33 6.049 -11.790 7.222 1.00 0.00 C ATOM 0 H THR A 33 6.118 -9.609 4.625 1.00 0.00 H new ATOM 0 HA THR A 33 4.181 -11.587 4.288 1.00 0.00 H new ATOM 0 HB THR A 33 5.682 -13.073 5.551 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.204 -13.577 7.304 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.283 -12.606 7.905 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.972 -11.400 6.792 1.00 0.00 H new ATOM 0 HG23 THR A 33 5.539 -10.996 7.767 1.00 0.00 H new ATOM 430 N VAL A 34 4.595 -9.126 6.403 1.00 0.00 N ATOM 431 CA VAL A 34 3.901 -8.077 7.140 1.00 0.00 C ATOM 432 C VAL A 34 3.225 -7.115 6.188 1.00 0.00 C ATOM 433 O VAL A 34 3.785 -6.771 5.150 1.00 0.00 O ATOM 434 CB VAL A 34 4.857 -7.317 8.085 1.00 0.00 C ATOM 435 CG1 VAL A 34 4.144 -6.163 8.782 1.00 0.00 C ATOM 436 CG2 VAL A 34 5.432 -8.274 9.109 1.00 0.00 C ATOM 0 H VAL A 34 5.611 -9.032 6.390 1.00 0.00 H new ATOM 0 HA VAL A 34 3.139 -8.557 7.754 1.00 0.00 H new ATOM 0 HB VAL A 34 5.667 -6.897 7.488 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.843 -5.648 9.440 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.766 -5.464 8.035 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.312 -6.551 9.369 1.00 0.00 H new ATOM 0 HG21 VAL A 34 6.106 -7.734 9.774 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.622 -8.713 9.692 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.982 -9.065 8.599 1.00 0.00 H new ATOM 446 N LEU A 35 2.018 -6.694 6.551 1.00 0.00 N ATOM 447 CA LEU A 35 1.206 -5.830 5.715 1.00 0.00 C ATOM 448 C LEU A 35 1.964 -4.588 5.242 1.00 0.00 C ATOM 449 O LEU A 35 2.754 -3.991 5.984 1.00 0.00 O ATOM 450 CB LEU A 35 -0.110 -5.458 6.427 1.00 0.00 C ATOM 451 CG LEU A 35 0.012 -4.634 7.714 1.00 0.00 C ATOM 452 CD1 LEU A 35 -0.043 -3.147 7.408 1.00 0.00 C ATOM 453 CD2 LEU A 35 -1.074 -5.018 8.706 1.00 0.00 C ATOM 0 H LEU A 35 1.578 -6.945 7.436 1.00 0.00 H new ATOM 0 HA LEU A 35 0.957 -6.394 4.816 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.731 -4.902 5.725 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.642 -6.380 6.662 1.00 0.00 H new ATOM 0 HG LEU A 35 0.979 -4.854 8.166 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.045 -2.581 8.335 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.778 -2.882 6.742 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.992 -2.909 6.927 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.968 -4.421 9.611 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.053 -4.834 8.263 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.981 -6.075 8.956 1.00 0.00 H new ATOM 465 N ARG A 36 1.719 -4.237 3.991 1.00 0.00 N ATOM 466 CA ARG A 36 2.339 -3.091 3.334 1.00 0.00 C ATOM 467 C ARG A 36 2.221 -1.810 4.156 1.00 0.00 C ATOM 468 O ARG A 36 1.163 -1.513 4.726 1.00 0.00 O ATOM 469 CB ARG A 36 1.682 -2.878 1.968 1.00 0.00 C ATOM 470 CG ARG A 36 1.900 -1.494 1.380 1.00 0.00 C ATOM 471 CD ARG A 36 1.025 -1.266 0.175 1.00 0.00 C ATOM 472 NE ARG A 36 1.021 0.139 -0.237 1.00 0.00 N ATOM 473 CZ ARG A 36 -0.091 0.859 -0.433 1.00 0.00 C ATOM 474 NH1 ARG A 36 -1.288 0.310 -0.241 1.00 0.00 N ATOM 475 NH2 ARG A 36 -0.007 2.121 -0.835 1.00 0.00 N ATOM 0 H ARG A 36 1.072 -4.748 3.390 1.00 0.00 H new ATOM 0 HA ARG A 36 3.401 -3.311 3.224 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.069 -3.621 1.271 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.611 -3.056 2.061 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.686 -0.738 2.135 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.947 -1.377 1.099 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.375 -1.886 -0.651 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.006 -1.581 0.401 1.00 0.00 H new ATOM 0 HE ARG A 36 1.920 0.597 -0.384 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.361 -0.663 0.057 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.132 0.862 -0.391 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.907 2.545 -0.996 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.856 2.667 -0.983 1.00 0.00 H new ATOM 489 N THR A 37 3.306 -1.051 4.202 1.00 0.00 N ATOM 490 CA THR A 37 3.308 0.228 4.858 1.00 0.00 C ATOM 491 C THR A 37 2.397 1.190 4.107 1.00 0.00 C ATOM 492 O THR A 37 2.682 1.581 2.969 1.00 0.00 O ATOM 493 CB THR A 37 4.729 0.804 4.930 1.00 0.00 C ATOM 494 OG1 THR A 37 5.418 0.540 3.699 1.00 0.00 O ATOM 495 CG2 THR A 37 5.499 0.195 6.088 1.00 0.00 C ATOM 0 H THR A 37 4.200 -1.311 3.785 1.00 0.00 H new ATOM 0 HA THR A 37 2.940 0.096 5.876 1.00 0.00 H new ATOM 0 HB THR A 37 4.660 1.880 5.089 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.510 1.373 3.191 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.503 0.618 6.120 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.983 0.414 7.023 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.564 -0.885 5.954 1.00 0.00 H new ATOM 503 N GLY A 38 1.299 1.543 4.732 1.00 0.00 N ATOM 504 CA GLY A 38 0.340 2.398 4.097 1.00 0.00 C ATOM 505 C GLY A 38 -0.729 1.594 3.415 1.00 0.00 C ATOM 506 O GLY A 38 -1.261 2.002 2.373 1.00 0.00 O ATOM 0 H GLY A 38 1.053 1.249 5.677 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.112 3.057 4.838 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.842 3.035 3.368 1.00 0.00 H new ATOM 510 N VAL A 39 -1.023 0.428 3.997 1.00 0.00 N ATOM 511 CA VAL A 39 -2.035 -0.473 3.483 1.00 0.00 C ATOM 512 C VAL A 39 -3.348 0.268 3.247 1.00 0.00 C ATOM 513 O VAL A 39 -3.774 1.087 4.053 1.00 0.00 O ATOM 514 CB VAL A 39 -2.243 -1.684 4.424 1.00 0.00 C ATOM 515 CG1 VAL A 39 -2.816 -1.261 5.769 1.00 0.00 C ATOM 516 CG2 VAL A 39 -3.105 -2.738 3.769 1.00 0.00 C ATOM 0 H VAL A 39 -0.559 0.090 4.840 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.684 -0.858 2.526 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.263 -2.122 4.614 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.947 -2.139 6.401 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.131 -0.565 6.253 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.780 -0.776 5.617 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.235 -3.578 4.452 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.079 -2.313 3.527 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.624 -3.085 2.855 1.00 0.00 H new ATOM 526 N SER A 40 -3.968 -0.019 2.137 1.00 0.00 N ATOM 527 CA SER A 40 -5.140 0.713 1.720 1.00 0.00 C ATOM 528 C SER A 40 -6.438 -0.077 1.914 1.00 0.00 C ATOM 529 O SER A 40 -6.424 -1.308 2.047 1.00 0.00 O ATOM 530 CB SER A 40 -4.966 1.114 0.266 1.00 0.00 C ATOM 531 OG SER A 40 -3.691 1.729 0.079 1.00 0.00 O ATOM 0 H SER A 40 -3.682 -0.760 1.497 1.00 0.00 H new ATOM 0 HA SER A 40 -5.232 1.597 2.351 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.053 0.237 -0.375 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.758 1.803 -0.027 1.00 0.00 H new ATOM 0 HG SER A 40 -3.814 2.642 -0.255 1.00 0.00 H new ATOM 537 N GLN A 41 -7.560 0.658 1.910 1.00 0.00 N ATOM 538 CA GLN A 41 -8.904 0.087 2.079 1.00 0.00 C ATOM 539 C GLN A 41 -9.248 -0.916 0.991 1.00 0.00 C ATOM 540 O GLN A 41 -10.204 -1.665 1.123 1.00 0.00 O ATOM 541 CB GLN A 41 -9.962 1.189 2.111 1.00 0.00 C ATOM 542 CG GLN A 41 -9.816 2.223 1.001 1.00 0.00 C ATOM 543 CD GLN A 41 -10.904 3.279 1.027 1.00 0.00 C ATOM 544 OE1 GLN A 41 -11.440 3.552 2.201 1.00 0.00 O flip ATOM 545 NE2 GLN A 41 -11.263 3.844 -0.005 1.00 0.00 N flip ATOM 0 H GLN A 41 -7.560 1.671 1.789 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.899 -0.442 3.032 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.949 0.732 2.040 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.914 1.696 3.074 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.844 2.708 1.090 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.832 1.717 0.036 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.825 3.607 -0.895 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.998 4.550 0.029 1.00 0.00 H new ATOM 554 N GLN A 42 -8.482 -0.915 -0.078 1.00 0.00 N ATOM 555 CA GLN A 42 -8.684 -1.864 -1.153 1.00 0.00 C ATOM 556 C GLN A 42 -8.680 -3.289 -0.593 1.00 0.00 C ATOM 557 O GLN A 42 -9.576 -4.087 -0.870 1.00 0.00 O ATOM 558 CB GLN A 42 -7.579 -1.705 -2.206 1.00 0.00 C ATOM 559 CG GLN A 42 -7.503 -0.305 -2.815 1.00 0.00 C ATOM 560 CD GLN A 42 -8.718 0.037 -3.664 1.00 0.00 C ATOM 561 OE1 GLN A 42 -9.329 -0.837 -4.278 1.00 0.00 O ATOM 562 NE2 GLN A 42 -9.073 1.308 -3.703 1.00 0.00 N ATOM 0 H GLN A 42 -7.710 -0.265 -0.227 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.648 -1.672 -1.625 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.619 -1.945 -1.750 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.743 -2.429 -3.004 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.407 0.429 -2.015 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.605 -0.229 -3.428 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.540 2.003 -3.180 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.880 1.595 -4.257 1.00 0.00 H new ATOM 571 N ILE A 43 -7.673 -3.593 0.220 1.00 0.00 N ATOM 572 CA ILE A 43 -7.553 -4.911 0.816 1.00 0.00 C ATOM 573 C ILE A 43 -8.358 -5.035 2.125 1.00 0.00 C ATOM 574 O ILE A 43 -8.975 -6.067 2.380 1.00 0.00 O ATOM 575 CB ILE A 43 -6.057 -5.323 1.033 1.00 0.00 C ATOM 576 CG1 ILE A 43 -5.384 -4.495 2.129 1.00 0.00 C ATOM 577 CG2 ILE A 43 -5.280 -5.192 -0.268 1.00 0.00 C ATOM 578 CD1 ILE A 43 -5.510 -5.095 3.524 1.00 0.00 C ATOM 0 H ILE A 43 -6.931 -2.942 0.478 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.987 -5.611 0.101 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.052 -6.364 1.357 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.327 -4.382 1.887 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.819 -3.495 2.134 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.242 -5.481 -0.103 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.722 -5.842 -1.023 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.318 -4.158 -0.612 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.007 -4.450 4.244 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.564 -5.183 3.789 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.049 -6.083 3.538 1.00 0.00 H new ATOM 590 N ALA A 44 -8.347 -3.972 2.943 1.00 0.00 N ATOM 591 CA ALA A 44 -9.015 -3.990 4.254 1.00 0.00 C ATOM 592 C ALA A 44 -10.502 -3.693 4.136 1.00 0.00 C ATOM 593 O ALA A 44 -11.336 -4.507 4.521 1.00 0.00 O ATOM 594 CB ALA A 44 -8.346 -3.006 5.202 1.00 0.00 C ATOM 0 H ALA A 44 -7.884 -3.091 2.721 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.916 -4.996 4.661 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.851 -3.030 6.168 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.299 -3.281 5.333 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.408 -2.001 4.786 1.00 0.00 H new ATOM 600 N SER A 45 -10.812 -2.493 3.648 1.00 0.00 N ATOM 601 CA SER A 45 -12.191 -2.037 3.397 1.00 0.00 C ATOM 602 C SER A 45 -12.962 -1.678 4.681 1.00 0.00 C ATOM 603 O SER A 45 -13.934 -0.928 4.628 1.00 0.00 O ATOM 604 CB SER A 45 -12.962 -3.074 2.565 1.00 0.00 C ATOM 605 OG SER A 45 -12.232 -3.420 1.389 1.00 0.00 O ATOM 0 H SER A 45 -10.107 -1.795 3.410 1.00 0.00 H new ATOM 0 HA SER A 45 -12.109 -1.112 2.827 1.00 0.00 H new ATOM 0 HB2 SER A 45 -13.142 -3.967 3.164 1.00 0.00 H new ATOM 0 HB3 SER A 45 -13.938 -2.674 2.289 1.00 0.00 H new ATOM 0 HG SER A 45 -11.603 -2.701 1.171 1.00 0.00 H new ATOM 611 N SER A 46 -12.521 -2.193 5.821 1.00 0.00 N ATOM 612 CA SER A 46 -13.203 -1.940 7.085 1.00 0.00 C ATOM 613 C SER A 46 -13.014 -0.481 7.556 1.00 0.00 C ATOM 614 O SER A 46 -13.743 0.416 7.134 1.00 0.00 O ATOM 615 CB SER A 46 -12.733 -2.940 8.158 1.00 0.00 C ATOM 616 OG SER A 46 -13.459 -2.789 9.364 1.00 0.00 O ATOM 0 H SER A 46 -11.696 -2.787 5.897 1.00 0.00 H new ATOM 0 HA SER A 46 -14.271 -2.085 6.924 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.853 -3.957 7.785 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.670 -2.794 8.352 1.00 0.00 H new ATOM 0 HG SER A 46 -13.137 -3.439 10.023 1.00 0.00 H new ATOM 622 N VAL A 47 -12.040 -0.254 8.423 1.00 0.00 N ATOM 623 CA VAL A 47 -11.763 1.089 8.932 1.00 0.00 C ATOM 624 C VAL A 47 -10.416 1.586 8.439 1.00 0.00 C ATOM 625 O VAL A 47 -10.160 2.789 8.388 1.00 0.00 O ATOM 626 CB VAL A 47 -11.801 1.140 10.481 1.00 0.00 C ATOM 627 CG1 VAL A 47 -13.224 0.939 10.985 1.00 0.00 C ATOM 628 CG2 VAL A 47 -10.869 0.089 11.084 1.00 0.00 C ATOM 0 H VAL A 47 -11.425 -0.980 8.792 1.00 0.00 H new ATOM 0 HA VAL A 47 -12.549 1.740 8.551 1.00 0.00 H new ATOM 0 HB VAL A 47 -11.454 2.124 10.797 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -13.233 0.978 12.074 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -13.865 1.726 10.589 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -13.594 -0.031 10.653 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.913 0.145 12.172 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -11.181 -0.903 10.758 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.848 0.275 10.752 1.00 0.00 H new ATOM 638 N VAL A 48 -9.560 0.651 8.075 1.00 0.00 N ATOM 639 CA VAL A 48 -8.234 0.968 7.598 1.00 0.00 C ATOM 640 C VAL A 48 -8.282 1.492 6.171 1.00 0.00 C ATOM 641 O VAL A 48 -8.368 0.718 5.217 1.00 0.00 O ATOM 642 CB VAL A 48 -7.311 -0.267 7.648 1.00 0.00 C ATOM 643 CG1 VAL A 48 -5.885 0.104 7.277 1.00 0.00 C ATOM 644 CG2 VAL A 48 -7.362 -0.916 9.018 1.00 0.00 C ATOM 0 H VAL A 48 -9.767 -0.347 8.103 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.833 1.739 8.255 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.670 -0.989 6.915 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.255 -0.784 7.320 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.867 0.513 6.267 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.509 0.850 7.978 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.705 -1.785 9.034 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -7.035 -0.200 9.772 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.383 -1.230 9.234 1.00 0.00 H new ATOM 654 N GLN A 49 -8.274 2.804 6.031 1.00 0.00 N ATOM 655 CA GLN A 49 -8.252 3.418 4.720 1.00 0.00 C ATOM 656 C GLN A 49 -6.830 3.453 4.182 1.00 0.00 C ATOM 657 O GLN A 49 -6.582 3.101 3.030 1.00 0.00 O ATOM 658 CB GLN A 49 -8.860 4.817 4.765 1.00 0.00 C ATOM 659 CG GLN A 49 -10.341 4.823 5.114 1.00 0.00 C ATOM 660 CD GLN A 49 -10.963 6.200 5.030 1.00 0.00 C ATOM 661 OE1 GLN A 49 -10.515 7.052 4.272 1.00 0.00 O ATOM 662 NE2 GLN A 49 -12.013 6.416 5.791 1.00 0.00 N ATOM 0 H GLN A 49 -8.282 3.463 6.809 1.00 0.00 H new ATOM 0 HA GLN A 49 -8.859 2.817 4.043 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.320 5.416 5.498 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.721 5.297 3.796 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.870 4.150 4.440 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.472 4.432 6.123 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -12.355 5.680 6.409 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -12.486 7.319 5.763 1.00 0.00 H new ATOM 671 N ARG A 50 -5.903 3.895 5.017 1.00 0.00 N ATOM 672 CA ARG A 50 -4.500 3.890 4.675 1.00 0.00 C ATOM 673 C ARG A 50 -3.650 3.593 5.913 1.00 0.00 C ATOM 674 O ARG A 50 -2.416 3.601 5.848 1.00 0.00 O ATOM 675 CB ARG A 50 -4.104 5.233 4.067 1.00 0.00 C ATOM 676 CG ARG A 50 -2.693 5.264 3.532 1.00 0.00 C ATOM 677 CD ARG A 50 -2.503 6.399 2.567 1.00 0.00 C ATOM 678 NE ARG A 50 -3.410 6.290 1.414 1.00 0.00 N ATOM 679 CZ ARG A 50 -3.047 5.868 0.197 1.00 0.00 C ATOM 680 NH1 ARG A 50 -1.785 5.504 -0.040 1.00 0.00 N ATOM 681 NH2 ARG A 50 -3.948 5.803 -0.782 1.00 0.00 N ATOM 0 H ARG A 50 -6.106 4.265 5.946 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.322 3.106 3.939 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.795 5.474 3.259 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.214 6.011 4.823 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.990 5.365 4.359 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.469 4.320 3.036 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.677 7.345 3.079 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.470 6.411 2.218 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.385 6.555 1.552 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.093 5.547 0.708 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.513 5.183 -0.969 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.915 6.075 -0.604 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.671 5.481 -1.709 1.00 0.00 H new ATOM 695 N ALA A 51 -4.332 3.311 7.039 1.00 0.00 N ATOM 696 CA ALA A 51 -3.688 3.078 8.341 1.00 0.00 C ATOM 697 C ALA A 51 -3.040 4.359 8.875 1.00 0.00 C ATOM 698 O ALA A 51 -3.321 4.788 9.989 1.00 0.00 O ATOM 699 CB ALA A 51 -2.676 1.936 8.268 1.00 0.00 C ATOM 0 H ALA A 51 -5.349 3.239 7.069 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.467 2.781 9.043 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.219 1.791 9.247 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.183 1.020 7.965 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.903 2.181 7.540 1.00 0.00 H new ATOM 705 N ALA A 52 -2.189 4.963 8.060 1.00 0.00 N ATOM 706 CA ALA A 52 -1.513 6.192 8.407 1.00 0.00 C ATOM 707 C ALA A 52 -2.499 7.312 8.650 1.00 0.00 C ATOM 708 O ALA A 52 -3.476 7.467 7.917 1.00 0.00 O ATOM 709 CB ALA A 52 -0.551 6.578 7.319 1.00 0.00 C ATOM 0 H ALA A 52 -1.950 4.607 7.134 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.961 6.023 9.331 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.047 7.506 7.591 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.189 5.788 7.190 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.096 6.721 6.386 1.00 0.00 H new ATOM 715 N GLN A 53 -2.193 8.115 9.637 1.00 0.00 N ATOM 716 CA GLN A 53 -3.051 9.204 10.097 1.00 0.00 C ATOM 717 C GLN A 53 -3.346 10.214 8.984 1.00 0.00 C ATOM 718 O GLN A 53 -4.292 10.989 9.082 1.00 0.00 O ATOM 719 CB GLN A 53 -2.403 9.935 11.292 1.00 0.00 C ATOM 720 CG GLN A 53 -1.910 9.028 12.429 1.00 0.00 C ATOM 721 CD GLN A 53 -0.670 8.220 12.063 1.00 0.00 C ATOM 722 OE1 GLN A 53 0.142 8.643 11.238 1.00 0.00 O ATOM 723 NE2 GLN A 53 -0.519 7.062 12.667 1.00 0.00 N ATOM 0 H GLN A 53 -1.322 8.037 10.163 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.995 8.755 10.407 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -1.560 10.520 10.925 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.126 10.641 11.700 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.691 9.640 13.304 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.710 8.344 12.711 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -1.213 6.746 13.344 1.00 0.00 H new ATOM 0 HE22 GLN A 53 0.292 6.480 12.458 1.00 0.00 H new ATOM 732 N SER A 54 -2.531 10.198 7.938 1.00 0.00 N ATOM 733 CA SER A 54 -2.674 11.129 6.830 1.00 0.00 C ATOM 734 C SER A 54 -4.010 10.952 6.091 1.00 0.00 C ATOM 735 O SER A 54 -4.938 11.742 6.270 1.00 0.00 O ATOM 736 CB SER A 54 -1.488 10.990 5.857 1.00 0.00 C ATOM 737 OG SER A 54 -1.611 11.873 4.753 1.00 0.00 O ATOM 0 H SER A 54 -1.756 9.542 7.835 1.00 0.00 H new ATOM 0 HA SER A 54 -2.673 12.136 7.247 1.00 0.00 H new ATOM 0 HB2 SER A 54 -0.557 11.195 6.386 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.430 9.963 5.497 1.00 0.00 H new ATOM 0 HG SER A 54 -0.842 11.760 4.157 1.00 0.00 H new ATOM 743 N LEU A 55 -4.100 9.921 5.266 1.00 0.00 N ATOM 744 CA LEU A 55 -5.297 9.690 4.465 1.00 0.00 C ATOM 745 C LEU A 55 -6.342 8.876 5.229 1.00 0.00 C ATOM 746 O LEU A 55 -7.534 8.969 4.949 1.00 0.00 O ATOM 747 CB LEU A 55 -4.918 9.009 3.138 1.00 0.00 C ATOM 748 CG LEU A 55 -6.020 8.921 2.067 1.00 0.00 C ATOM 749 CD1 LEU A 55 -5.407 9.021 0.679 1.00 0.00 C ATOM 750 CD2 LEU A 55 -6.798 7.613 2.193 1.00 0.00 C ATOM 0 H LEU A 55 -3.361 9.231 5.132 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.751 10.656 4.244 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.070 9.544 2.711 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.577 7.998 3.360 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.710 9.751 2.219 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.194 8.958 -0.072 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.886 9.973 0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.700 8.204 0.534 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.571 7.574 1.426 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.117 6.771 2.066 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.262 7.559 3.178 1.00 0.00 H new ATOM 762 N ALA A 56 -5.896 8.092 6.203 1.00 0.00 N ATOM 763 CA ALA A 56 -6.808 7.249 6.968 1.00 0.00 C ATOM 764 C ALA A 56 -7.665 8.058 7.911 1.00 0.00 C ATOM 765 O ALA A 56 -8.663 7.558 8.411 1.00 0.00 O ATOM 766 CB ALA A 56 -6.074 6.158 7.719 1.00 0.00 C ATOM 0 H ALA A 56 -4.917 8.022 6.481 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.467 6.771 6.243 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.791 5.554 8.275 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.539 5.526 7.011 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.364 6.608 8.412 1.00 0.00 H new ATOM 772 N SER A 57 -7.234 9.288 8.186 1.00 0.00 N ATOM 773 CA SER A 57 -7.951 10.196 9.072 1.00 0.00 C ATOM 774 C SER A 57 -9.455 10.208 8.755 1.00 0.00 C ATOM 775 O SER A 57 -9.886 10.776 7.752 1.00 0.00 O ATOM 776 CB SER A 57 -7.364 11.604 8.936 1.00 0.00 C ATOM 777 OG SER A 57 -7.455 12.068 7.593 1.00 0.00 O ATOM 0 H SER A 57 -6.376 9.681 7.799 1.00 0.00 H new ATOM 0 HA SER A 57 -7.834 9.850 10.099 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.895 12.288 9.598 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.321 11.599 9.253 1.00 0.00 H new ATOM 0 HG SER A 57 -6.594 11.939 7.143 1.00 0.00 H new ATOM 783 N THR A 58 -10.234 9.544 9.594 1.00 0.00 N ATOM 784 CA THR A 58 -11.665 9.468 9.393 1.00 0.00 C ATOM 785 C THR A 58 -12.405 9.345 10.732 1.00 0.00 C ATOM 786 O THR A 58 -13.435 9.975 10.939 1.00 0.00 O ATOM 787 CB THR A 58 -12.036 8.278 8.455 1.00 0.00 C ATOM 788 OG1 THR A 58 -13.443 8.274 8.186 1.00 0.00 O ATOM 789 CG2 THR A 58 -11.629 6.935 9.066 1.00 0.00 C ATOM 0 H THR A 58 -9.895 9.051 10.420 1.00 0.00 H new ATOM 0 HA THR A 58 -11.980 10.394 8.913 1.00 0.00 H new ATOM 0 HB THR A 58 -11.487 8.413 7.523 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.661 7.523 7.595 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.902 6.128 8.386 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.552 6.922 9.230 1.00 0.00 H new ATOM 0 HG23 THR A 58 -12.143 6.797 10.017 1.00 0.00 H new ATOM 797 N LEU A 59 -11.857 8.545 11.637 1.00 0.00 N ATOM 798 CA LEU A 59 -12.453 8.338 12.949 1.00 0.00 C ATOM 799 C LEU A 59 -11.505 8.808 14.036 1.00 0.00 C ATOM 800 O LEU A 59 -11.636 8.428 15.197 1.00 0.00 O ATOM 801 CB LEU A 59 -12.785 6.851 13.154 1.00 0.00 C ATOM 802 CG LEU A 59 -13.894 6.281 12.264 1.00 0.00 C ATOM 803 CD1 LEU A 59 -14.029 4.784 12.478 1.00 0.00 C ATOM 804 CD2 LEU A 59 -15.216 6.979 12.545 1.00 0.00 C ATOM 0 H LEU A 59 -10.993 8.025 11.484 1.00 0.00 H new ATOM 0 HA LEU A 59 -13.374 8.918 13.007 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -11.878 6.270 12.987 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -13.070 6.703 14.196 1.00 0.00 H new ATOM 0 HG LEU A 59 -13.625 6.459 11.223 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -14.821 4.395 11.838 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -13.088 4.294 12.228 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -14.275 4.586 13.521 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -15.992 6.561 11.904 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -15.490 6.832 13.590 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -15.114 8.045 12.344 1.00 0.00 H new ATOM 816 N GLY A 60 -10.554 9.646 13.653 1.00 0.00 N ATOM 817 CA GLY A 60 -9.571 10.108 14.597 1.00 0.00 C ATOM 818 C GLY A 60 -8.528 9.059 14.827 1.00 0.00 C ATOM 819 O GLY A 60 -8.414 8.519 15.920 1.00 0.00 O ATOM 0 H GLY A 60 -10.449 10.011 12.706 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.102 11.019 14.226 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -10.055 10.360 15.540 1.00 0.00 H new ATOM 823 N VAL A 61 -7.746 8.795 13.805 1.00 0.00 N ATOM 824 CA VAL A 61 -6.778 7.722 13.838 1.00 0.00 C ATOM 825 C VAL A 61 -5.461 8.207 14.414 1.00 0.00 C ATOM 826 O VAL A 61 -4.754 8.991 13.788 1.00 0.00 O ATOM 827 CB VAL A 61 -6.520 7.173 12.416 1.00 0.00 C ATOM 828 CG1 VAL A 61 -5.782 5.845 12.462 1.00 0.00 C ATOM 829 CG2 VAL A 61 -7.816 7.063 11.622 1.00 0.00 C ATOM 0 H VAL A 61 -7.763 9.317 12.929 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.187 6.932 14.468 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.878 7.886 11.898 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.616 5.486 11.446 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.822 5.979 12.961 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.378 5.116 13.012 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.601 6.674 10.627 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.501 6.388 12.135 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -8.274 8.048 11.535 1.00 0.00 H new ATOM 839 N ASP A 62 -5.155 7.758 15.617 1.00 0.00 N ATOM 840 CA ASP A 62 -3.911 8.116 16.287 1.00 0.00 C ATOM 841 C ASP A 62 -3.650 7.158 17.431 1.00 0.00 C ATOM 842 O ASP A 62 -3.963 7.450 18.586 1.00 0.00 O ATOM 843 CB ASP A 62 -3.956 9.560 16.809 1.00 0.00 C ATOM 844 CG ASP A 62 -2.624 10.026 17.374 1.00 0.00 C ATOM 845 OD1 ASP A 62 -1.742 10.397 16.581 1.00 0.00 O ATOM 846 OD2 ASP A 62 -2.458 10.031 18.615 1.00 0.00 O ATOM 0 H ASP A 62 -5.757 7.137 16.158 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.100 8.045 15.562 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.254 10.225 15.998 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.720 9.638 17.582 1.00 0.00 H new ATOM 851 N GLY A 63 -3.133 5.991 17.101 1.00 0.00 N ATOM 852 CA GLY A 63 -2.852 4.980 18.105 1.00 0.00 C ATOM 853 C GLY A 63 -4.103 4.244 18.565 1.00 0.00 C ATOM 854 O GLY A 63 -4.130 3.021 18.587 1.00 0.00 O ATOM 0 H GLY A 63 -2.899 5.718 16.147 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -2.140 4.260 17.701 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.376 5.451 18.965 1.00 0.00 H new ATOM 858 N ASN A 64 -5.134 5.009 18.899 1.00 0.00 N ATOM 859 CA ASN A 64 -6.405 4.488 19.408 1.00 0.00 C ATOM 860 C ASN A 64 -7.014 3.400 18.499 1.00 0.00 C ATOM 861 O ASN A 64 -6.879 2.209 18.776 1.00 0.00 O ATOM 862 CB ASN A 64 -7.403 5.650 19.639 1.00 0.00 C ATOM 863 CG ASN A 64 -7.690 6.476 18.392 1.00 0.00 C ATOM 864 OD1 ASN A 64 -6.836 6.635 17.521 1.00 0.00 O ATOM 865 ND2 ASN A 64 -8.892 6.987 18.292 1.00 0.00 N ATOM 0 H ASN A 64 -5.115 6.026 18.824 1.00 0.00 H new ATOM 0 HA ASN A 64 -6.198 4.003 20.362 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.341 5.241 20.015 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.008 6.306 20.414 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -9.145 7.538 17.472 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.575 6.834 19.034 1.00 0.00 H new ATOM 872 N ASN A 65 -7.670 3.811 17.418 1.00 0.00 N ATOM 873 CA ASN A 65 -8.277 2.873 16.489 1.00 0.00 C ATOM 874 C ASN A 65 -7.253 2.420 15.470 1.00 0.00 C ATOM 875 O ASN A 65 -7.585 1.783 14.474 1.00 0.00 O ATOM 876 CB ASN A 65 -9.499 3.494 15.796 1.00 0.00 C ATOM 877 CG ASN A 65 -9.148 4.646 14.875 1.00 0.00 C ATOM 878 OD1 ASN A 65 -9.069 5.791 15.299 1.00 0.00 O ATOM 879 ND2 ASN A 65 -8.946 4.350 13.609 1.00 0.00 N ATOM 0 H ASN A 65 -7.793 4.792 17.166 1.00 0.00 H new ATOM 0 HA ASN A 65 -8.622 2.005 17.050 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -10.013 2.723 15.222 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.198 3.845 16.555 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.715 5.087 12.943 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -9.021 3.383 13.293 1.00 0.00 H new ATOM 886 N LEU A 66 -6.012 2.786 15.715 1.00 0.00 N ATOM 887 CA LEU A 66 -4.914 2.381 14.877 1.00 0.00 C ATOM 888 C LEU A 66 -4.356 1.046 15.353 1.00 0.00 C ATOM 889 O LEU A 66 -4.180 0.116 14.568 1.00 0.00 O ATOM 890 CB LEU A 66 -3.827 3.441 14.884 1.00 0.00 C ATOM 891 CG LEU A 66 -2.604 3.126 14.038 1.00 0.00 C ATOM 892 CD1 LEU A 66 -2.987 2.940 12.582 1.00 0.00 C ATOM 893 CD2 LEU A 66 -1.568 4.214 14.189 1.00 0.00 C ATOM 0 H LEU A 66 -5.741 3.374 16.503 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.277 2.264 13.856 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.257 4.380 14.536 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.505 3.600 15.913 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.173 2.189 14.391 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.095 2.716 11.997 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.695 2.116 12.494 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.446 3.855 12.207 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.698 3.975 13.578 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.989 5.165 13.864 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.268 4.288 15.234 1.00 0.00 H new ATOM 905 N ALA A 67 -4.064 0.965 16.647 1.00 0.00 N ATOM 906 CA ALA A 67 -3.560 -0.264 17.231 1.00 0.00 C ATOM 907 C ALA A 67 -4.706 -1.237 17.417 1.00 0.00 C ATOM 908 O ALA A 67 -4.638 -2.398 17.011 1.00 0.00 O ATOM 909 CB ALA A 67 -2.880 0.016 18.564 1.00 0.00 C ATOM 0 H ALA A 67 -4.169 1.736 17.306 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.820 -0.701 16.560 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.509 -0.918 18.986 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.047 0.702 18.410 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.597 0.465 19.251 1.00 0.00 H new ATOM 915 N ARG A 68 -5.769 -0.747 18.025 1.00 0.00 N ATOM 916 CA ARG A 68 -6.965 -1.527 18.210 1.00 0.00 C ATOM 917 C ARG A 68 -7.853 -1.285 17.022 1.00 0.00 C ATOM 918 O ARG A 68 -7.652 -0.319 16.311 1.00 0.00 O ATOM 919 CB ARG A 68 -7.695 -1.112 19.485 1.00 0.00 C ATOM 920 CG ARG A 68 -6.830 -1.123 20.729 1.00 0.00 C ATOM 921 CD ARG A 68 -7.631 -0.718 21.953 1.00 0.00 C ATOM 922 NE ARG A 68 -6.782 -0.501 23.123 1.00 0.00 N ATOM 923 CZ ARG A 68 -7.177 -0.703 24.385 1.00 0.00 C ATOM 924 NH1 ARG A 68 -8.379 -1.208 24.636 1.00 0.00 N ATOM 925 NH2 ARG A 68 -6.361 -0.417 25.395 1.00 0.00 N ATOM 0 H ARG A 68 -5.822 0.200 18.401 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.707 -2.582 18.301 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -8.101 -0.110 19.348 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -8.542 -1.781 19.639 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -6.412 -2.119 20.877 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.990 -0.441 20.598 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -8.187 0.194 21.736 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.365 -1.492 22.177 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.828 -0.175 22.967 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.004 -1.443 23.865 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.677 -1.361 25.599 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.431 -0.042 25.209 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.665 -0.572 26.356 1.00 0.00 H new ATOM 939 N PHE A 69 -8.823 -2.154 16.807 1.00 0.00 N ATOM 940 CA PHE A 69 -9.763 -2.029 15.683 1.00 0.00 C ATOM 941 C PHE A 69 -9.081 -2.258 14.324 1.00 0.00 C ATOM 942 O PHE A 69 -9.424 -3.193 13.617 1.00 0.00 O ATOM 943 CB PHE A 69 -10.495 -0.670 15.708 1.00 0.00 C ATOM 944 CG PHE A 69 -11.378 -0.483 16.914 1.00 0.00 C ATOM 945 CD1 PHE A 69 -12.642 -1.047 16.957 1.00 0.00 C ATOM 946 CD2 PHE A 69 -10.941 0.254 18.005 1.00 0.00 C ATOM 947 CE1 PHE A 69 -13.455 -0.880 18.062 1.00 0.00 C ATOM 948 CE2 PHE A 69 -11.748 0.424 19.113 1.00 0.00 C ATOM 949 CZ PHE A 69 -13.007 -0.144 19.142 1.00 0.00 C ATOM 0 H PHE A 69 -8.990 -2.968 17.399 1.00 0.00 H new ATOM 0 HA PHE A 69 -10.505 -2.817 15.809 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -9.757 0.131 15.681 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -11.101 -0.576 14.807 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -12.997 -1.625 16.116 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -9.958 0.700 17.988 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -14.439 -1.324 18.081 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -11.395 1.000 19.956 1.00 0.00 H new ATOM 0 HZ PHE A 69 -13.640 -0.013 20.007 1.00 0.00 H new ATOM 959 N ALA A 70 -8.110 -1.419 13.979 1.00 0.00 N ATOM 960 CA ALA A 70 -7.417 -1.525 12.698 1.00 0.00 C ATOM 961 C ALA A 70 -6.633 -2.829 12.588 1.00 0.00 C ATOM 962 O ALA A 70 -6.933 -3.670 11.734 1.00 0.00 O ATOM 963 CB ALA A 70 -6.494 -0.338 12.493 1.00 0.00 C ATOM 0 H ALA A 70 -7.783 -0.655 14.571 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.175 -1.525 11.914 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.986 -0.434 11.533 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.077 0.583 12.504 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.755 -0.309 13.294 1.00 0.00 H new ATOM 969 N VAL A 71 -5.642 -3.006 13.462 1.00 0.00 N ATOM 970 CA VAL A 71 -4.827 -4.225 13.457 1.00 0.00 C ATOM 971 C VAL A 71 -5.691 -5.440 13.738 1.00 0.00 C ATOM 972 O VAL A 71 -5.492 -6.499 13.156 1.00 0.00 O ATOM 973 CB VAL A 71 -3.661 -4.149 14.488 1.00 0.00 C ATOM 974 CG1 VAL A 71 -2.861 -5.447 14.506 1.00 0.00 C ATOM 975 CG2 VAL A 71 -2.752 -2.979 14.162 1.00 0.00 C ATOM 0 H VAL A 71 -5.384 -2.327 14.178 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.387 -4.318 12.464 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.091 -4.001 15.479 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.054 -5.367 15.234 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.516 -6.274 14.780 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.441 -5.629 13.517 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.941 -2.935 14.889 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -2.337 -3.108 13.162 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.324 -2.052 14.201 1.00 0.00 H new ATOM 985 N GLN A 72 -6.671 -5.267 14.596 1.00 0.00 N ATOM 986 CA GLN A 72 -7.567 -6.348 14.962 1.00 0.00 C ATOM 987 C GLN A 72 -8.416 -6.793 13.771 1.00 0.00 C ATOM 988 O GLN A 72 -8.572 -7.980 13.531 1.00 0.00 O ATOM 989 CB GLN A 72 -8.443 -5.927 16.142 1.00 0.00 C ATOM 990 CG GLN A 72 -7.634 -5.573 17.384 1.00 0.00 C ATOM 991 CD GLN A 72 -8.481 -5.020 18.513 1.00 0.00 C ATOM 992 OE1 GLN A 72 -9.513 -4.388 18.283 1.00 0.00 O ATOM 993 NE2 GLN A 72 -8.041 -5.235 19.731 1.00 0.00 N ATOM 0 H GLN A 72 -6.871 -4.380 15.059 1.00 0.00 H new ATOM 0 HA GLN A 72 -6.967 -7.205 15.267 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -9.047 -5.068 15.851 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.133 -6.736 16.382 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -7.110 -6.463 17.734 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -6.873 -4.840 17.117 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -7.181 -5.764 19.877 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -8.559 -4.873 20.532 1.00 0.00 H new ATOM 1002 N ALA A 73 -8.936 -5.839 13.013 1.00 0.00 N ATOM 1003 CA ALA A 73 -9.757 -6.157 11.850 1.00 0.00 C ATOM 1004 C ALA A 73 -8.934 -6.824 10.759 1.00 0.00 C ATOM 1005 O ALA A 73 -9.354 -7.819 10.185 1.00 0.00 O ATOM 1006 CB ALA A 73 -10.437 -4.909 11.310 1.00 0.00 C ATOM 0 H ALA A 73 -8.806 -4.841 13.180 1.00 0.00 H new ATOM 0 HA ALA A 73 -10.526 -6.859 12.172 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.044 -5.171 10.443 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.075 -4.479 12.082 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.681 -4.181 11.017 1.00 0.00 H new ATOM 1012 N VAL A 74 -7.754 -6.280 10.489 1.00 0.00 N ATOM 1013 CA VAL A 74 -6.889 -6.821 9.447 1.00 0.00 C ATOM 1014 C VAL A 74 -6.356 -8.198 9.830 1.00 0.00 C ATOM 1015 O VAL A 74 -6.346 -9.123 9.011 1.00 0.00 O ATOM 1016 CB VAL A 74 -5.706 -5.874 9.128 1.00 0.00 C ATOM 1017 CG1 VAL A 74 -4.808 -6.467 8.047 1.00 0.00 C ATOM 1018 CG2 VAL A 74 -6.220 -4.510 8.696 1.00 0.00 C ATOM 0 H VAL A 74 -7.375 -5.467 10.975 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.503 -6.915 8.551 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.114 -5.755 10.035 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.985 -5.782 7.842 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.409 -7.422 8.389 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.387 -6.621 7.137 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.376 -3.856 8.475 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.837 -4.619 7.804 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.816 -4.075 9.498 1.00 0.00 H new ATOM 1028 N SER A 75 -5.938 -8.336 11.072 1.00 0.00 N ATOM 1029 CA SER A 75 -5.405 -9.591 11.565 1.00 0.00 C ATOM 1030 C SER A 75 -6.489 -10.677 11.569 1.00 0.00 C ATOM 1031 O SER A 75 -6.205 -11.859 11.367 1.00 0.00 O ATOM 1032 CB SER A 75 -4.832 -9.393 12.977 1.00 0.00 C ATOM 1033 OG SER A 75 -4.191 -10.564 13.453 1.00 0.00 O ATOM 0 H SER A 75 -5.958 -7.587 11.764 1.00 0.00 H new ATOM 0 HA SER A 75 -4.605 -9.918 10.901 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.121 -8.567 12.968 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.635 -9.115 13.660 1.00 0.00 H new ATOM 0 HG SER A 75 -3.838 -10.401 14.352 1.00 0.00 H new ATOM 1039 N ARG A 76 -7.737 -10.263 11.755 1.00 0.00 N ATOM 1040 CA ARG A 76 -8.847 -11.202 11.813 1.00 0.00 C ATOM 1041 C ARG A 76 -9.574 -11.295 10.479 1.00 0.00 C ATOM 1042 O ARG A 76 -10.618 -11.950 10.379 1.00 0.00 O ATOM 1043 CB ARG A 76 -9.829 -10.805 12.909 1.00 0.00 C ATOM 1044 CG ARG A 76 -9.245 -10.862 14.306 1.00 0.00 C ATOM 1045 CD ARG A 76 -10.229 -10.339 15.330 1.00 0.00 C ATOM 1046 NE ARG A 76 -9.660 -10.338 16.676 1.00 0.00 N ATOM 1047 CZ ARG A 76 -10.378 -10.254 17.799 1.00 0.00 C ATOM 1048 NH1 ARG A 76 -11.706 -10.166 17.741 1.00 0.00 N ATOM 1049 NH2 ARG A 76 -9.768 -10.257 18.975 1.00 0.00 N ATOM 0 H ARG A 76 -8.004 -9.285 11.868 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.430 -12.183 12.042 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -10.185 -9.793 12.715 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.697 -11.463 12.861 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -8.975 -11.890 14.549 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -8.328 -10.274 14.344 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -10.530 -9.326 15.061 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -11.129 -10.953 15.316 1.00 0.00 H new ATOM 0 HE ARG A 76 -8.646 -10.406 16.764 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -12.178 -10.163 16.837 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -12.251 -10.102 18.601 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -8.751 -10.323 19.022 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.315 -10.193 19.833 1.00 0.00 H new ATOM 1063 N LEU A 77 -9.035 -10.637 9.459 1.00 0.00 N ATOM 1064 CA LEU A 77 -9.633 -10.671 8.130 1.00 0.00 C ATOM 1065 C LEU A 77 -9.650 -12.076 7.578 1.00 0.00 C ATOM 1066 O LEU A 77 -8.608 -12.743 7.531 1.00 0.00 O ATOM 1067 CB LEU A 77 -8.880 -9.764 7.154 1.00 0.00 C ATOM 1068 CG LEU A 77 -9.315 -8.306 7.112 1.00 0.00 C ATOM 1069 CD1 LEU A 77 -8.406 -7.515 6.179 1.00 0.00 C ATOM 1070 CD2 LEU A 77 -10.763 -8.198 6.655 1.00 0.00 C ATOM 0 H LEU A 77 -8.187 -10.075 9.527 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.656 -10.310 8.235 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.820 -9.797 7.405 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.983 -10.180 6.152 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.237 -7.889 8.116 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.726 -6.473 6.156 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.378 -7.571 6.538 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.463 -7.934 5.174 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -11.059 -7.149 6.630 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.863 -8.627 5.658 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -11.405 -8.740 7.349 1.00 0.00 H new ATOM 1171 N TYR A 86 -2.701 -9.896 -0.419 1.00 0.00 N ATOM 1172 CA TYR A 86 -2.963 -8.542 0.030 1.00 0.00 C ATOM 1173 C TYR A 86 -1.933 -7.557 -0.543 1.00 0.00 C ATOM 1174 O TYR A 86 -1.133 -7.902 -1.416 1.00 0.00 O ATOM 1175 CB TYR A 86 -2.976 -8.487 1.567 1.00 0.00 C ATOM 1176 CG TYR A 86 -4.274 -8.968 2.186 1.00 0.00 C ATOM 1177 CD1 TYR A 86 -5.140 -9.800 1.486 1.00 0.00 C ATOM 1178 CD2 TYR A 86 -4.636 -8.580 3.467 1.00 0.00 C ATOM 1179 CE1 TYR A 86 -6.324 -10.230 2.043 1.00 0.00 C ATOM 1180 CE2 TYR A 86 -5.820 -9.007 4.035 1.00 0.00 C ATOM 1181 CZ TYR A 86 -6.661 -9.832 3.317 1.00 0.00 C ATOM 1182 OH TYR A 86 -7.845 -10.259 3.872 1.00 0.00 O ATOM 0 HA TYR A 86 -3.944 -8.243 -0.339 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -2.155 -9.093 1.950 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -2.790 -7.461 1.886 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -4.879 -10.115 0.486 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -3.980 -7.932 4.030 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -6.984 -10.876 1.483 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -6.086 -8.697 5.035 1.00 0.00 H new ATOM 0 HH TYR A 86 -7.671 -11.010 4.477 1.00 0.00 H new ATOM 1192 N ALA A 87 -1.938 -6.346 -0.026 1.00 0.00 N ATOM 1193 CA ALA A 87 -1.072 -5.285 -0.522 1.00 0.00 C ATOM 1194 C ALA A 87 0.424 -5.561 -0.281 1.00 0.00 C ATOM 1195 O ALA A 87 1.264 -4.742 -0.637 1.00 0.00 O ATOM 1196 CB ALA A 87 -1.475 -3.962 0.106 1.00 0.00 C ATOM 0 H ALA A 87 -2.539 -6.065 0.748 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.204 -5.242 -1.603 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.826 -3.170 -0.267 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.509 -3.736 -0.154 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.380 -4.030 1.190 1.00 0.00 H new ATOM 1202 N GLN A 88 0.743 -6.712 0.302 1.00 0.00 N ATOM 1203 CA GLN A 88 2.125 -7.070 0.601 1.00 0.00 C ATOM 1204 C GLN A 88 2.919 -7.362 -0.664 1.00 0.00 C ATOM 1205 O GLN A 88 4.029 -6.860 -0.838 1.00 0.00 O ATOM 1206 CB GLN A 88 2.199 -8.268 1.556 1.00 0.00 C ATOM 1207 CG GLN A 88 1.829 -7.932 2.992 1.00 0.00 C ATOM 1208 CD GLN A 88 0.337 -7.808 3.218 1.00 0.00 C ATOM 1209 OE1 GLN A 88 -0.257 -6.742 3.024 1.00 0.00 O ATOM 1210 NE2 GLN A 88 -0.272 -8.882 3.664 1.00 0.00 N ATOM 0 H GLN A 88 0.059 -7.416 0.578 1.00 0.00 H new ATOM 0 HA GLN A 88 2.573 -6.206 1.092 1.00 0.00 H new ATOM 0 HB2 GLN A 88 1.534 -9.052 1.193 1.00 0.00 H new ATOM 0 HB3 GLN A 88 3.210 -8.674 1.537 1.00 0.00 H new ATOM 0 HG2 GLN A 88 2.225 -8.704 3.651 1.00 0.00 H new ATOM 0 HG3 GLN A 88 2.310 -6.995 3.273 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.255 -9.743 3.811 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.272 -8.855 3.864 1.00 0.00 H new ATOM 1219 N ALA A 89 2.350 -8.159 -1.551 1.00 0.00 N ATOM 1220 CA ALA A 89 3.028 -8.507 -2.789 1.00 0.00 C ATOM 1221 C ALA A 89 3.125 -7.299 -3.710 1.00 0.00 C ATOM 1222 O ALA A 89 4.153 -7.060 -4.344 1.00 0.00 O ATOM 1223 CB ALA A 89 2.303 -9.651 -3.485 1.00 0.00 C ATOM 0 H ALA A 89 1.426 -8.576 -1.439 1.00 0.00 H new ATOM 0 HA ALA A 89 4.040 -8.831 -2.547 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.822 -9.901 -4.411 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.287 -10.523 -2.831 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.281 -9.349 -3.712 1.00 0.00 H new ATOM 1229 N PHE A 90 2.058 -6.524 -3.757 1.00 0.00 N ATOM 1230 CA PHE A 90 1.989 -5.360 -4.628 1.00 0.00 C ATOM 1231 C PHE A 90 2.636 -4.121 -4.000 1.00 0.00 C ATOM 1232 O PHE A 90 2.507 -3.018 -4.538 1.00 0.00 O ATOM 1233 CB PHE A 90 0.534 -5.061 -5.007 1.00 0.00 C ATOM 1234 CG PHE A 90 -0.094 -6.110 -5.881 1.00 0.00 C ATOM 1235 CD1 PHE A 90 -0.695 -7.229 -5.326 1.00 0.00 C ATOM 1236 CD2 PHE A 90 -0.082 -5.975 -7.260 1.00 0.00 C ATOM 1237 CE1 PHE A 90 -1.271 -8.193 -6.131 1.00 0.00 C ATOM 1238 CE2 PHE A 90 -0.656 -6.935 -8.070 1.00 0.00 C ATOM 1239 CZ PHE A 90 -1.251 -8.046 -7.505 1.00 0.00 C ATOM 0 H PHE A 90 1.219 -6.679 -3.198 1.00 0.00 H new ATOM 0 HA PHE A 90 2.556 -5.601 -5.527 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.056 -4.960 -4.096 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.492 -4.101 -5.521 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -0.713 -7.349 -4.253 1.00 0.00 H new ATOM 0 HD2 PHE A 90 0.382 -5.108 -7.707 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -1.736 -9.061 -5.687 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -0.640 -6.817 -9.143 1.00 0.00 H new ATOM 0 HZ PHE A 90 -1.700 -8.799 -8.136 1.00 0.00 H new ATOM 1249 N SER A 91 3.349 -4.307 -2.882 1.00 0.00 N ATOM 1250 CA SER A 91 4.004 -3.195 -2.180 1.00 0.00 C ATOM 1251 C SER A 91 4.833 -2.326 -3.125 1.00 0.00 C ATOM 1252 O SER A 91 4.848 -1.111 -2.997 1.00 0.00 O ATOM 1253 CB SER A 91 4.890 -3.711 -1.041 1.00 0.00 C ATOM 1254 OG SER A 91 4.116 -4.325 -0.032 1.00 0.00 O ATOM 0 H SER A 91 3.487 -5.218 -2.444 1.00 0.00 H new ATOM 0 HA SER A 91 3.209 -2.576 -1.764 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.613 -4.426 -1.434 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.458 -2.884 -0.615 1.00 0.00 H new ATOM 0 HG SER A 91 4.250 -5.295 -0.062 1.00 0.00 H new ATOM 1260 N SER A 92 5.501 -2.955 -4.077 1.00 0.00 N ATOM 1261 CA SER A 92 6.342 -2.234 -5.024 1.00 0.00 C ATOM 1262 C SER A 92 5.580 -1.147 -5.785 1.00 0.00 C ATOM 1263 O SER A 92 6.020 0.003 -5.833 1.00 0.00 O ATOM 1264 CB SER A 92 7.003 -3.203 -5.997 1.00 0.00 C ATOM 1265 OG SER A 92 7.890 -4.069 -5.317 1.00 0.00 O ATOM 0 H SER A 92 5.479 -3.965 -4.217 1.00 0.00 H new ATOM 0 HA SER A 92 7.112 -1.729 -4.440 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.240 -3.787 -6.511 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.545 -2.646 -6.761 1.00 0.00 H new ATOM 0 HG SER A 92 7.861 -4.957 -5.730 1.00 0.00 H new ATOM 1271 N ALA A 93 4.445 -1.502 -6.355 1.00 0.00 N ATOM 1272 CA ALA A 93 3.674 -0.562 -7.152 1.00 0.00 C ATOM 1273 C ALA A 93 2.807 0.338 -6.282 1.00 0.00 C ATOM 1274 O ALA A 93 2.543 1.485 -6.634 1.00 0.00 O ATOM 1275 CB ALA A 93 2.815 -1.309 -8.162 1.00 0.00 C ATOM 0 H ALA A 93 4.035 -2.433 -6.282 1.00 0.00 H new ATOM 0 HA ALA A 93 4.379 0.076 -7.685 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.243 -0.594 -8.752 1.00 0.00 H new ATOM 0 HB2 ALA A 93 3.455 -1.894 -8.822 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.131 -1.975 -7.636 1.00 0.00 H new ATOM 1281 N LEU A 94 2.382 -0.181 -5.144 1.00 0.00 N ATOM 1282 CA LEU A 94 1.490 0.550 -4.259 1.00 0.00 C ATOM 1283 C LEU A 94 2.235 1.568 -3.396 1.00 0.00 C ATOM 1284 O LEU A 94 1.686 2.610 -3.041 1.00 0.00 O ATOM 1285 CB LEU A 94 0.713 -0.414 -3.379 1.00 0.00 C ATOM 1286 CG LEU A 94 -0.071 -1.502 -4.106 1.00 0.00 C ATOM 1287 CD1 LEU A 94 -0.865 -2.329 -3.115 1.00 0.00 C ATOM 1288 CD2 LEU A 94 -0.978 -0.902 -5.164 1.00 0.00 C ATOM 0 H LEU A 94 2.641 -1.109 -4.809 1.00 0.00 H new ATOM 0 HA LEU A 94 0.796 1.105 -4.889 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.413 -0.894 -2.695 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.016 0.162 -2.770 1.00 0.00 H new ATOM 0 HG LEU A 94 0.638 -2.158 -4.611 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.420 -3.102 -3.648 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.184 -2.796 -2.403 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.563 -1.685 -2.580 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.526 -1.698 -5.668 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.684 -0.218 -4.693 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.377 -0.358 -5.893 1.00 0.00 H new ATOM 1300 N PHE A 95 3.462 1.253 -3.025 1.00 0.00 N ATOM 1301 CA PHE A 95 4.269 2.176 -2.235 1.00 0.00 C ATOM 1302 C PHE A 95 4.950 3.156 -3.171 1.00 0.00 C ATOM 1303 O PHE A 95 5.075 4.338 -2.865 1.00 0.00 O ATOM 1304 CB PHE A 95 5.310 1.404 -1.406 1.00 0.00 C ATOM 1305 CG PHE A 95 6.032 2.236 -0.378 1.00 0.00 C ATOM 1306 CD1 PHE A 95 5.436 2.518 0.841 1.00 0.00 C ATOM 1307 CD2 PHE A 95 7.307 2.725 -0.627 1.00 0.00 C ATOM 1308 CE1 PHE A 95 6.095 3.273 1.794 1.00 0.00 C ATOM 1309 CE2 PHE A 95 7.970 3.481 0.322 1.00 0.00 C ATOM 1310 CZ PHE A 95 7.364 3.755 1.533 1.00 0.00 C ATOM 0 H PHE A 95 3.923 0.372 -3.254 1.00 0.00 H new ATOM 0 HA PHE A 95 3.629 2.722 -1.542 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.812 0.576 -0.901 1.00 0.00 H new ATOM 0 HB3 PHE A 95 6.045 0.968 -2.083 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.445 2.144 1.049 1.00 0.00 H new ATOM 0 HD2 PHE A 95 7.786 2.513 -1.571 1.00 0.00 H new ATOM 0 HE1 PHE A 95 5.619 3.486 2.740 1.00 0.00 H new ATOM 0 HE2 PHE A 95 8.961 3.857 0.117 1.00 0.00 H new ATOM 0 HZ PHE A 95 7.881 4.345 2.275 1.00 0.00 H new ATOM 1320 N ASN A 96 5.363 2.633 -4.328 1.00 0.00 N ATOM 1321 CA ASN A 96 6.012 3.407 -5.390 1.00 0.00 C ATOM 1322 C ASN A 96 7.253 4.136 -4.884 1.00 0.00 C ATOM 1323 O ASN A 96 7.198 5.303 -4.502 1.00 0.00 O ATOM 1324 CB ASN A 96 5.038 4.396 -6.028 1.00 0.00 C ATOM 1325 CG ASN A 96 5.439 4.768 -7.442 1.00 0.00 C ATOM 1326 OD1 ASN A 96 4.851 4.091 -8.415 1.00 0.00 O flip ATOM 1327 ND2 ASN A 96 6.259 5.658 -7.661 1.00 0.00 N flip ATOM 0 H ASN A 96 5.254 1.645 -4.557 1.00 0.00 H new ATOM 0 HA ASN A 96 6.330 2.695 -6.151 1.00 0.00 H new ATOM 0 HB2 ASN A 96 4.038 3.962 -6.039 1.00 0.00 H new ATOM 0 HB3 ASN A 96 4.988 5.298 -5.418 1.00 0.00 H new ATOM 0 HD21 ASN A 96 6.690 6.157 -6.883 1.00 0.00 H new ATOM 0 HD22 ASN A 96 6.508 5.897 -8.621 1.00 0.00 H new ATOM 1334 N ALA A 97 8.375 3.439 -4.890 1.00 0.00 N ATOM 1335 CA ALA A 97 9.631 4.006 -4.419 1.00 0.00 C ATOM 1336 C ALA A 97 10.275 4.906 -5.478 1.00 0.00 C ATOM 1337 O ALA A 97 11.327 5.494 -5.248 1.00 0.00 O ATOM 1338 CB ALA A 97 10.585 2.893 -4.016 1.00 0.00 C ATOM 0 H ALA A 97 8.444 2.475 -5.217 1.00 0.00 H new ATOM 0 HA ALA A 97 9.416 4.626 -3.549 1.00 0.00 H new ATOM 0 HB1 ALA A 97 11.522 3.326 -3.665 1.00 0.00 H new ATOM 0 HB2 ALA A 97 10.137 2.301 -3.218 1.00 0.00 H new ATOM 0 HB3 ALA A 97 10.781 2.253 -4.876 1.00 0.00 H new ATOM 1344 N GLY A 98 9.641 4.986 -6.645 1.00 0.00 N ATOM 1345 CA GLY A 98 10.153 5.815 -7.730 1.00 0.00 C ATOM 1346 C GLY A 98 11.248 5.130 -8.515 1.00 0.00 C ATOM 1347 O GLY A 98 11.617 5.569 -9.597 1.00 0.00 O ATOM 0 H GLY A 98 8.777 4.490 -6.862 1.00 0.00 H new ATOM 0 HA2 GLY A 98 9.335 6.073 -8.403 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.535 6.750 -7.320 1.00 0.00 H new ATOM 1351 N VAL A 99 11.765 4.048 -7.962 1.00 0.00 N ATOM 1352 CA VAL A 99 12.817 3.278 -8.605 1.00 0.00 C ATOM 1353 C VAL A 99 12.227 2.402 -9.707 1.00 0.00 C ATOM 1354 O VAL A 99 12.942 1.861 -10.549 1.00 0.00 O ATOM 1355 CB VAL A 99 13.547 2.375 -7.575 1.00 0.00 C ATOM 1356 CG1 VAL A 99 14.783 1.725 -8.184 1.00 0.00 C ATOM 1357 CG2 VAL A 99 13.909 3.167 -6.328 1.00 0.00 C ATOM 0 H VAL A 99 11.470 3.678 -7.058 1.00 0.00 H new ATOM 0 HA VAL A 99 13.533 3.978 -9.035 1.00 0.00 H new ATOM 0 HB VAL A 99 12.863 1.577 -7.287 1.00 0.00 H new ATOM 0 HG11 VAL A 99 15.271 1.099 -7.436 1.00 0.00 H new ATOM 0 HG12 VAL A 99 14.489 1.111 -9.035 1.00 0.00 H new ATOM 0 HG13 VAL A 99 15.475 2.499 -8.517 1.00 0.00 H new ATOM 0 HG21 VAL A 99 14.420 2.516 -5.619 1.00 0.00 H new ATOM 0 HG22 VAL A 99 14.566 3.993 -6.600 1.00 0.00 H new ATOM 0 HG23 VAL A 99 13.001 3.560 -5.871 1.00 0.00 H new ATOM 1367 N LEU A 100 10.916 2.282 -9.697 1.00 0.00 N ATOM 1368 CA LEU A 100 10.216 1.448 -10.651 1.00 0.00 C ATOM 1369 C LEU A 100 9.950 2.191 -11.953 1.00 0.00 C ATOM 1370 O LEU A 100 10.313 3.359 -12.098 1.00 0.00 O ATOM 1371 CB LEU A 100 8.909 0.914 -10.039 1.00 0.00 C ATOM 1372 CG LEU A 100 8.061 1.912 -9.217 1.00 0.00 C ATOM 1373 CD1 LEU A 100 7.617 3.107 -10.053 1.00 0.00 C ATOM 1374 CD2 LEU A 100 6.855 1.208 -8.629 1.00 0.00 C ATOM 0 H LEU A 100 10.308 2.758 -9.030 1.00 0.00 H new ATOM 0 HA LEU A 100 10.856 0.599 -10.890 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.289 0.528 -10.848 1.00 0.00 H new ATOM 0 HB3 LEU A 100 9.156 0.069 -9.396 1.00 0.00 H new ATOM 0 HG LEU A 100 8.689 2.292 -8.411 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.024 3.782 -9.436 1.00 0.00 H new ATOM 0 HD12 LEU A 100 8.494 3.634 -10.429 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.015 2.760 -10.893 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.264 1.919 -8.052 1.00 0.00 H new ATOM 0 HD22 LEU A 100 6.245 0.798 -9.434 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.187 0.400 -7.978 1.00 0.00 H new ATOM 1386 N ASN A 101 9.308 1.515 -12.889 1.00 0.00 N ATOM 1387 CA ASN A 101 9.018 2.106 -14.183 1.00 0.00 C ATOM 1388 C ASN A 101 7.883 3.092 -14.066 1.00 0.00 C ATOM 1389 O ASN A 101 6.761 2.719 -13.702 1.00 0.00 O ATOM 1390 CB ASN A 101 8.633 1.037 -15.210 1.00 0.00 C ATOM 1391 CG ASN A 101 9.435 -0.223 -15.081 1.00 0.00 C ATOM 1392 OD1 ASN A 101 10.534 -0.328 -15.609 1.00 0.00 O ATOM 1393 ND2 ASN A 101 8.872 -1.198 -14.396 1.00 0.00 N ATOM 0 H ASN A 101 8.978 0.556 -12.777 1.00 0.00 H new ATOM 0 HA ASN A 101 9.922 2.613 -14.518 1.00 0.00 H new ATOM 0 HB2 ASN A 101 7.575 0.800 -15.098 1.00 0.00 H new ATOM 0 HB3 ASN A 101 8.764 1.442 -16.213 1.00 0.00 H new ATOM 0 HD21 ASN A 101 9.355 -2.090 -14.287 1.00 0.00 H new ATOM 0 HD22 ASN A 101 7.953 -1.061 -13.975 1.00 0.00 H new ATOM 1400 N ALA A 102 8.160 4.335 -14.380 1.00 0.00 N ATOM 1401 CA ALA A 102 7.144 5.364 -14.352 1.00 0.00 C ATOM 1402 C ALA A 102 6.182 5.163 -15.511 1.00 0.00 C ATOM 1403 O ALA A 102 5.034 5.595 -15.461 1.00 0.00 O ATOM 1404 CB ALA A 102 7.781 6.743 -14.413 1.00 0.00 C ATOM 0 H ALA A 102 9.085 4.661 -14.659 1.00 0.00 H new ATOM 0 HA ALA A 102 6.589 5.292 -13.417 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.002 7.505 -14.391 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.443 6.876 -13.557 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.355 6.838 -15.334 1.00 0.00 H new ATOM 1410 N SER A 103 6.651 4.456 -16.535 1.00 0.00 N ATOM 1411 CA SER A 103 5.858 4.191 -17.716 1.00 0.00 C ATOM 1412 C SER A 103 4.819 3.132 -17.411 1.00 0.00 C ATOM 1413 O SER A 103 3.729 3.140 -17.964 1.00 0.00 O ATOM 1414 CB SER A 103 6.761 3.743 -18.864 1.00 0.00 C ATOM 1415 OG SER A 103 7.800 4.683 -19.077 1.00 0.00 O ATOM 0 H SER A 103 7.588 4.055 -16.563 1.00 0.00 H new ATOM 0 HA SER A 103 5.346 5.105 -18.017 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.188 2.766 -18.638 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.172 3.631 -19.774 1.00 0.00 H new ATOM 0 HG SER A 103 8.370 4.379 -19.814 1.00 0.00 H new ATOM 1421 N ASN A 104 5.167 2.231 -16.509 1.00 0.00 N ATOM 1422 CA ASN A 104 4.261 1.179 -16.074 1.00 0.00 C ATOM 1423 C ASN A 104 3.034 1.803 -15.420 1.00 0.00 C ATOM 1424 O ASN A 104 1.891 1.534 -15.807 1.00 0.00 O ATOM 1425 CB ASN A 104 4.981 0.261 -15.080 1.00 0.00 C ATOM 1426 CG ASN A 104 4.060 -0.753 -14.419 1.00 0.00 C ATOM 1427 OD1 ASN A 104 3.132 -1.262 -15.033 1.00 0.00 O ATOM 1428 ND2 ASN A 104 4.308 -1.039 -13.151 1.00 0.00 N ATOM 0 H ASN A 104 6.082 2.207 -16.058 1.00 0.00 H new ATOM 0 HA ASN A 104 3.944 0.590 -16.934 1.00 0.00 H new ATOM 0 HB2 ASN A 104 5.780 -0.269 -15.599 1.00 0.00 H new ATOM 0 HB3 ASN A 104 5.451 0.871 -14.309 1.00 0.00 H new ATOM 0 HD21 ASN A 104 3.716 -1.704 -12.653 1.00 0.00 H new ATOM 0 HD22 ASN A 104 5.091 -0.595 -12.672 1.00 0.00 H new ATOM 1435 N ILE A 105 3.286 2.659 -14.445 1.00 0.00 N ATOM 1436 CA ILE A 105 2.214 3.361 -13.740 1.00 0.00 C ATOM 1437 C ILE A 105 1.457 4.298 -14.681 1.00 0.00 C ATOM 1438 O ILE A 105 0.229 4.389 -14.621 1.00 0.00 O ATOM 1439 CB ILE A 105 2.746 4.143 -12.489 1.00 0.00 C ATOM 1440 CG1 ILE A 105 2.999 3.188 -11.303 1.00 0.00 C ATOM 1441 CG2 ILE A 105 1.787 5.256 -12.074 1.00 0.00 C ATOM 1442 CD1 ILE A 105 4.098 2.171 -11.535 1.00 0.00 C ATOM 0 H ILE A 105 4.225 2.889 -14.119 1.00 0.00 H new ATOM 0 HA ILE A 105 1.520 2.602 -13.379 1.00 0.00 H new ATOM 0 HB ILE A 105 3.693 4.601 -12.775 1.00 0.00 H new ATOM 0 HG12 ILE A 105 3.250 3.781 -10.424 1.00 0.00 H new ATOM 0 HG13 ILE A 105 2.074 2.658 -11.076 1.00 0.00 H new ATOM 0 HG21 ILE A 105 2.188 5.776 -11.204 1.00 0.00 H new ATOM 0 HG22 ILE A 105 1.670 5.961 -12.897 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.817 4.826 -11.824 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.206 1.544 -10.650 1.00 0.00 H new ATOM 0 HD12 ILE A 105 3.843 1.548 -12.392 1.00 0.00 H new ATOM 0 HD13 ILE A 105 5.037 2.688 -11.729 1.00 0.00 H new ATOM 1454 N ASP A 106 2.180 4.968 -15.553 1.00 0.00 N ATOM 1455 CA ASP A 106 1.563 5.860 -16.529 1.00 0.00 C ATOM 1456 C ASP A 106 0.620 5.086 -17.450 1.00 0.00 C ATOM 1457 O ASP A 106 -0.459 5.558 -17.784 1.00 0.00 O ATOM 1458 CB ASP A 106 2.642 6.566 -17.358 1.00 0.00 C ATOM 1459 CG ASP A 106 2.071 7.400 -18.490 1.00 0.00 C ATOM 1460 OD1 ASP A 106 1.734 8.580 -18.253 1.00 0.00 O ATOM 1461 OD2 ASP A 106 1.975 6.885 -19.621 1.00 0.00 O ATOM 0 H ASP A 106 3.197 4.916 -15.611 1.00 0.00 H new ATOM 0 HA ASP A 106 0.983 6.608 -15.989 1.00 0.00 H new ATOM 0 HB2 ASP A 106 3.233 7.207 -16.704 1.00 0.00 H new ATOM 0 HB3 ASP A 106 3.321 5.820 -17.771 1.00 0.00 H new ATOM 1466 N THR A 107 1.015 3.882 -17.809 1.00 0.00 N ATOM 1467 CA THR A 107 0.251 3.076 -18.744 1.00 0.00 C ATOM 1468 C THR A 107 -0.961 2.406 -18.088 1.00 0.00 C ATOM 1469 O THR A 107 -2.093 2.580 -18.543 1.00 0.00 O ATOM 1470 CB THR A 107 1.139 1.995 -19.399 1.00 0.00 C ATOM 1471 OG1 THR A 107 2.246 2.616 -20.065 1.00 0.00 O ATOM 1472 CG2 THR A 107 0.347 1.167 -20.401 1.00 0.00 C ATOM 0 H THR A 107 1.866 3.436 -17.466 1.00 0.00 H new ATOM 0 HA THR A 107 -0.115 3.762 -19.508 1.00 0.00 H new ATOM 0 HB THR A 107 1.502 1.333 -18.613 1.00 0.00 H new ATOM 0 HG1 THR A 107 3.004 2.682 -19.447 1.00 0.00 H new ATOM 0 HG21 THR A 107 0.998 0.414 -20.846 1.00 0.00 H new ATOM 0 HG22 THR A 107 -0.482 0.675 -19.892 1.00 0.00 H new ATOM 0 HG23 THR A 107 -0.043 1.818 -21.183 1.00 0.00 H new ATOM 1480 N LEU A 108 -0.730 1.655 -17.023 1.00 0.00 N ATOM 1481 CA LEU A 108 -1.805 0.886 -16.409 1.00 0.00 C ATOM 1482 C LEU A 108 -2.040 1.250 -14.948 1.00 0.00 C ATOM 1483 O LEU A 108 -3.124 1.023 -14.423 1.00 0.00 O ATOM 1484 CB LEU A 108 -1.510 -0.605 -16.558 1.00 0.00 C ATOM 1485 CG LEU A 108 -0.159 -1.069 -16.015 1.00 0.00 C ATOM 1486 CD1 LEU A 108 -0.286 -1.575 -14.582 1.00 0.00 C ATOM 1487 CD2 LEU A 108 0.439 -2.129 -16.918 1.00 0.00 C ATOM 0 H LEU A 108 0.179 1.560 -16.569 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.728 1.135 -16.932 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.296 -1.165 -16.052 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.565 -0.864 -17.615 1.00 0.00 H new ATOM 0 HG LEU A 108 0.515 -0.213 -16.001 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.691 -1.898 -14.222 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.660 -0.774 -13.945 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -0.980 -2.415 -14.553 1.00 0.00 H new ATOM 0 HD21 LEU A 108 1.401 -2.448 -16.517 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.234 -2.984 -16.970 1.00 0.00 H new ATOM 0 HD23 LEU A 108 0.581 -1.718 -17.917 1.00 0.00 H new ATOM 1499 N GLY A 109 -1.039 1.816 -14.300 1.00 0.00 N ATOM 1500 CA GLY A 109 -1.174 2.166 -12.894 1.00 0.00 C ATOM 1501 C GLY A 109 -2.296 3.157 -12.640 1.00 0.00 C ATOM 1502 O GLY A 109 -3.293 2.829 -11.992 1.00 0.00 O ATOM 0 H GLY A 109 -0.135 2.042 -14.715 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -1.357 1.261 -12.315 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -0.235 2.588 -12.537 1.00 0.00 H new ATOM 1506 N SER A 110 -2.142 4.359 -13.163 1.00 0.00 N ATOM 1507 CA SER A 110 -3.135 5.405 -12.985 1.00 0.00 C ATOM 1508 C SER A 110 -4.383 5.125 -13.827 1.00 0.00 C ATOM 1509 O SER A 110 -5.409 5.782 -13.678 1.00 0.00 O ATOM 1510 CB SER A 110 -2.533 6.759 -13.356 1.00 0.00 C ATOM 1511 OG SER A 110 -1.328 6.988 -12.638 1.00 0.00 O ATOM 0 H SER A 110 -1.333 4.638 -13.719 1.00 0.00 H new ATOM 0 HA SER A 110 -3.435 5.424 -11.937 1.00 0.00 H new ATOM 0 HB2 SER A 110 -2.336 6.793 -14.427 1.00 0.00 H new ATOM 0 HB3 SER A 110 -3.248 7.552 -13.138 1.00 0.00 H new ATOM 0 HG SER A 110 -0.957 7.859 -12.891 1.00 0.00 H new ATOM 1517 N ARG A 111 -4.286 4.136 -14.700 1.00 0.00 N ATOM 1518 CA ARG A 111 -5.395 3.763 -15.559 1.00 0.00 C ATOM 1519 C ARG A 111 -6.327 2.768 -14.874 1.00 0.00 C ATOM 1520 O ARG A 111 -7.524 3.016 -14.744 1.00 0.00 O ATOM 1521 CB ARG A 111 -4.889 3.186 -16.884 1.00 0.00 C ATOM 1522 CG ARG A 111 -4.865 4.191 -18.022 1.00 0.00 C ATOM 1523 CD ARG A 111 -3.857 5.309 -17.793 1.00 0.00 C ATOM 1524 NE ARG A 111 -4.217 6.498 -18.577 1.00 0.00 N ATOM 1525 CZ ARG A 111 -3.386 7.474 -18.951 1.00 0.00 C ATOM 1526 NH1 ARG A 111 -2.093 7.408 -18.675 1.00 0.00 N ATOM 1527 NH2 ARG A 111 -3.863 8.514 -19.621 1.00 0.00 N ATOM 0 H ARG A 111 -3.445 3.575 -14.832 1.00 0.00 H new ATOM 0 HA ARG A 111 -5.963 4.670 -15.765 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -3.883 2.793 -16.738 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -5.521 2.345 -17.168 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -4.626 3.676 -18.952 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -5.859 4.622 -18.143 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -3.821 5.562 -16.733 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -2.860 4.970 -18.073 1.00 0.00 H new ATOM 0 HE ARG A 111 -5.192 6.586 -18.862 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -1.720 6.604 -18.170 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -1.470 8.161 -18.967 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -4.857 8.563 -19.846 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -3.236 9.265 -19.911 1.00 0.00 H new ATOM 1541 N VAL A 112 -5.772 1.653 -14.430 1.00 0.00 N ATOM 1542 CA VAL A 112 -6.559 0.608 -13.793 1.00 0.00 C ATOM 1543 C VAL A 112 -6.827 0.944 -12.329 1.00 0.00 C ATOM 1544 O VAL A 112 -7.981 1.052 -11.913 1.00 0.00 O ATOM 1545 CB VAL A 112 -5.850 -0.768 -13.883 1.00 0.00 C ATOM 1546 CG1 VAL A 112 -6.717 -1.869 -13.281 1.00 0.00 C ATOM 1547 CG2 VAL A 112 -5.495 -1.098 -15.326 1.00 0.00 C ATOM 0 H VAL A 112 -4.775 1.447 -14.499 1.00 0.00 H new ATOM 0 HA VAL A 112 -7.507 0.549 -14.328 1.00 0.00 H new ATOM 0 HB VAL A 112 -4.927 -0.708 -13.306 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -6.197 -2.824 -13.357 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -6.914 -1.645 -12.233 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -7.661 -1.926 -13.823 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -4.998 -2.068 -15.366 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -6.404 -1.131 -15.926 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -4.828 -0.332 -15.721 1.00 0.00 H new ATOM 1557 N LEU A 113 -5.754 1.135 -11.564 1.00 0.00 N ATOM 1558 CA LEU A 113 -5.865 1.429 -10.137 1.00 0.00 C ATOM 1559 C LEU A 113 -6.472 2.817 -9.937 1.00 0.00 C ATOM 1560 O LEU A 113 -7.411 2.986 -9.161 1.00 0.00 O ATOM 1561 CB LEU A 113 -4.485 1.341 -9.439 1.00 0.00 C ATOM 1562 CG LEU A 113 -3.805 -0.048 -9.384 1.00 0.00 C ATOM 1563 CD1 LEU A 113 -3.437 -0.554 -10.772 1.00 0.00 C ATOM 1564 CD2 LEU A 113 -2.570 0.005 -8.501 1.00 0.00 C ATOM 0 H LEU A 113 -4.795 1.091 -11.910 1.00 0.00 H new ATOM 0 HA LEU A 113 -6.518 0.683 -9.684 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.807 2.029 -9.944 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -4.601 1.701 -8.417 1.00 0.00 H new ATOM 0 HG LEU A 113 -4.523 -0.748 -8.957 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -2.962 -1.532 -10.689 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -4.338 -0.639 -11.379 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.747 0.146 -11.243 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -2.102 -0.979 -8.471 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -1.864 0.731 -8.905 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -2.857 0.301 -7.492 1.00 0.00 H new ATOM 1576 N SER A 114 -5.906 3.794 -10.643 1.00 0.00 N ATOM 1577 CA SER A 114 -6.391 5.179 -10.651 1.00 0.00 C ATOM 1578 C SER A 114 -6.545 5.785 -9.238 1.00 0.00 C ATOM 1579 O SER A 114 -5.577 6.299 -8.672 1.00 0.00 O ATOM 1580 CB SER A 114 -7.704 5.282 -11.443 1.00 0.00 C ATOM 1581 OG SER A 114 -8.141 6.628 -11.557 1.00 0.00 O ATOM 0 H SER A 114 -5.088 3.648 -11.234 1.00 0.00 H new ATOM 0 HA SER A 114 -5.625 5.774 -11.148 1.00 0.00 H new ATOM 0 HB2 SER A 114 -7.564 4.859 -12.438 1.00 0.00 H new ATOM 0 HB3 SER A 114 -8.474 4.689 -10.950 1.00 0.00 H new ATOM 0 HG SER A 114 -8.977 6.658 -12.067 1.00 0.00 H new ATOM 1587 N ALA A 115 -7.762 5.684 -8.673 1.00 0.00 N ATOM 1588 CA ALA A 115 -8.099 6.282 -7.374 1.00 0.00 C ATOM 1589 C ALA A 115 -7.107 5.904 -6.287 1.00 0.00 C ATOM 1590 O ALA A 115 -6.721 6.744 -5.470 1.00 0.00 O ATOM 1591 CB ALA A 115 -9.507 5.884 -6.960 1.00 0.00 C ATOM 0 H ALA A 115 -8.538 5.184 -9.107 1.00 0.00 H new ATOM 0 HA ALA A 115 -8.048 7.364 -7.496 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -9.744 6.334 -5.996 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -10.219 6.233 -7.708 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.569 4.799 -6.879 1.00 0.00 H new ATOM 1597 N LEU A 116 -6.687 4.651 -6.285 1.00 0.00 N ATOM 1598 CA LEU A 116 -5.744 4.177 -5.293 1.00 0.00 C ATOM 1599 C LEU A 116 -4.437 4.947 -5.386 1.00 0.00 C ATOM 1600 O LEU A 116 -3.918 5.429 -4.376 1.00 0.00 O ATOM 1601 CB LEU A 116 -5.482 2.679 -5.461 1.00 0.00 C ATOM 1602 CG LEU A 116 -4.447 2.080 -4.502 1.00 0.00 C ATOM 1603 CD1 LEU A 116 -4.867 2.285 -3.058 1.00 0.00 C ATOM 1604 CD2 LEU A 116 -4.240 0.607 -4.793 1.00 0.00 C ATOM 0 H LEU A 116 -6.985 3.946 -6.959 1.00 0.00 H new ATOM 0 HA LEU A 116 -6.181 4.344 -4.309 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -6.424 2.146 -5.331 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -5.152 2.498 -6.484 1.00 0.00 H new ATOM 0 HG LEU A 116 -3.500 2.598 -4.657 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.117 1.852 -2.396 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -4.959 3.352 -2.854 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.827 1.799 -2.886 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -3.502 0.200 -4.102 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.184 0.076 -4.670 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -3.885 0.485 -5.816 1.00 0.00 H new ATOM 1616 N LEU A 117 -3.929 5.091 -6.603 1.00 0.00 N ATOM 1617 CA LEU A 117 -2.673 5.783 -6.817 1.00 0.00 C ATOM 1618 C LEU A 117 -2.815 7.276 -6.593 1.00 0.00 C ATOM 1619 O LEU A 117 -1.846 7.949 -6.254 1.00 0.00 O ATOM 1620 CB LEU A 117 -2.102 5.494 -8.200 1.00 0.00 C ATOM 1621 CG LEU A 117 -1.652 4.051 -8.441 1.00 0.00 C ATOM 1622 CD1 LEU A 117 -0.895 3.945 -9.747 1.00 0.00 C ATOM 1623 CD2 LEU A 117 -0.793 3.544 -7.286 1.00 0.00 C ATOM 0 H LEU A 117 -4.369 4.737 -7.453 1.00 0.00 H new ATOM 0 HA LEU A 117 -1.968 5.400 -6.079 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -2.855 5.750 -8.945 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -1.251 6.154 -8.367 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.543 3.425 -8.500 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -0.582 2.913 -9.903 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -1.541 4.257 -10.568 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -0.016 4.589 -9.712 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -0.487 2.517 -7.484 1.00 0.00 H new ATOM 0 HD22 LEU A 117 0.092 4.173 -7.187 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -1.369 3.580 -6.361 1.00 0.00 H new ATOM 1635 N ASN A 118 -4.025 7.792 -6.771 1.00 0.00 N ATOM 1636 CA ASN A 118 -4.292 9.205 -6.513 1.00 0.00 C ATOM 1637 C ASN A 118 -3.994 9.515 -5.057 1.00 0.00 C ATOM 1638 O ASN A 118 -3.354 10.519 -4.738 1.00 0.00 O ATOM 1639 CB ASN A 118 -5.749 9.567 -6.835 1.00 0.00 C ATOM 1640 CG ASN A 118 -6.104 9.416 -8.307 1.00 0.00 C ATOM 1641 OD1 ASN A 118 -7.248 9.126 -8.652 1.00 0.00 O ATOM 1642 ND2 ASN A 118 -5.136 9.614 -9.180 1.00 0.00 N ATOM 0 H ASN A 118 -4.833 7.259 -7.091 1.00 0.00 H new ATOM 0 HA ASN A 118 -3.648 9.801 -7.160 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -6.411 8.934 -6.244 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -5.935 10.597 -6.529 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -5.324 9.528 -10.179 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -4.199 9.853 -8.857 1.00 0.00 H new ATOM 1649 N GLY A 119 -4.447 8.631 -4.178 1.00 0.00 N ATOM 1650 CA GLY A 119 -4.179 8.791 -2.766 1.00 0.00 C ATOM 1651 C GLY A 119 -2.747 8.427 -2.426 1.00 0.00 C ATOM 1652 O GLY A 119 -2.159 8.978 -1.498 1.00 0.00 O ATOM 0 H GLY A 119 -4.996 7.806 -4.420 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -4.372 9.823 -2.473 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -4.861 8.163 -2.192 1.00 0.00 H new ATOM 1656 N VAL A 120 -2.185 7.483 -3.178 1.00 0.00 N ATOM 1657 CA VAL A 120 -0.798 7.068 -2.979 1.00 0.00 C ATOM 1658 C VAL A 120 0.157 8.222 -3.267 1.00 0.00 C ATOM 1659 O VAL A 120 1.119 8.434 -2.529 1.00 0.00 O ATOM 1660 CB VAL A 120 -0.420 5.861 -3.880 1.00 0.00 C ATOM 1661 CG1 VAL A 120 1.084 5.621 -3.861 1.00 0.00 C ATOM 1662 CG2 VAL A 120 -1.164 4.602 -3.437 1.00 0.00 C ATOM 0 H VAL A 120 -2.668 6.991 -3.930 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.706 6.765 -1.936 1.00 0.00 H new ATOM 0 HB VAL A 120 -0.718 6.097 -4.902 1.00 0.00 H new ATOM 0 HG11 VAL A 120 1.325 4.771 -4.499 1.00 0.00 H new ATOM 0 HG12 VAL A 120 1.599 6.508 -4.229 1.00 0.00 H new ATOM 0 HG13 VAL A 120 1.406 5.412 -2.841 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -0.885 3.769 -4.082 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -0.900 4.367 -2.406 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -2.239 4.771 -3.507 1.00 0.00 H new ATOM 1672 N SER A 121 -0.139 8.964 -4.324 1.00 0.00 N ATOM 1673 CA SER A 121 0.691 10.077 -4.764 1.00 0.00 C ATOM 1674 C SER A 121 0.973 11.073 -3.638 1.00 0.00 C ATOM 1675 O SER A 121 2.112 11.486 -3.442 1.00 0.00 O ATOM 1676 CB SER A 121 0.027 10.787 -5.942 1.00 0.00 C ATOM 1677 OG SER A 121 -0.147 9.897 -7.036 1.00 0.00 O ATOM 0 H SER A 121 -0.965 8.811 -4.903 1.00 0.00 H new ATOM 0 HA SER A 121 1.651 9.665 -5.076 1.00 0.00 H new ATOM 0 HB2 SER A 121 -0.940 11.185 -5.634 1.00 0.00 H new ATOM 0 HB3 SER A 121 0.637 11.636 -6.251 1.00 0.00 H new ATOM 0 HG SER A 121 -0.682 9.127 -6.750 1.00 0.00 H new ATOM 1683 N SER A 122 -0.052 11.432 -2.897 1.00 0.00 N ATOM 1684 CA SER A 122 0.090 12.402 -1.834 1.00 0.00 C ATOM 1685 C SER A 122 0.591 11.762 -0.533 1.00 0.00 C ATOM 1686 O SER A 122 1.375 12.361 0.208 1.00 0.00 O ATOM 1687 CB SER A 122 -1.246 13.100 -1.606 1.00 0.00 C ATOM 1688 OG SER A 122 -2.302 12.150 -1.492 1.00 0.00 O ATOM 0 H SER A 122 -0.997 11.065 -3.012 1.00 0.00 H new ATOM 0 HA SER A 122 0.840 13.132 -2.138 1.00 0.00 H new ATOM 0 HB2 SER A 122 -1.195 13.704 -0.700 1.00 0.00 H new ATOM 0 HB3 SER A 122 -1.451 13.781 -2.432 1.00 0.00 H new ATOM 0 HG SER A 122 -3.150 12.619 -1.345 1.00 0.00 H new ATOM 1694 N ALA A 123 0.144 10.548 -0.268 1.00 0.00 N ATOM 1695 CA ALA A 123 0.487 9.867 0.967 1.00 0.00 C ATOM 1696 C ALA A 123 1.841 9.153 0.901 1.00 0.00 C ATOM 1697 O ALA A 123 2.833 9.635 1.445 1.00 0.00 O ATOM 1698 CB ALA A 123 -0.610 8.894 1.347 1.00 0.00 C ATOM 0 H ALA A 123 -0.459 10.012 -0.893 1.00 0.00 H new ATOM 0 HA ALA A 123 0.579 10.633 1.737 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -0.343 8.388 2.275 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -1.545 9.436 1.486 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -0.733 8.156 0.554 1.00 0.00 H new ATOM 1704 N ALA A 124 1.877 8.011 0.225 1.00 0.00 N ATOM 1705 CA ALA A 124 3.085 7.188 0.169 1.00 0.00 C ATOM 1706 C ALA A 124 4.177 7.849 -0.652 1.00 0.00 C ATOM 1707 O ALA A 124 5.308 7.969 -0.205 1.00 0.00 O ATOM 1708 CB ALA A 124 2.766 5.807 -0.382 1.00 0.00 C ATOM 0 H ALA A 124 1.085 7.631 -0.293 1.00 0.00 H new ATOM 0 HA ALA A 124 3.457 7.082 1.188 1.00 0.00 H new ATOM 0 HB1 ALA A 124 3.677 5.210 -0.416 1.00 0.00 H new ATOM 0 HB2 ALA A 124 2.035 5.318 0.262 1.00 0.00 H new ATOM 0 HB3 ALA A 124 2.357 5.902 -1.388 1.00 0.00 H new ATOM 1714 N GLN A 125 3.823 8.290 -1.839 1.00 0.00 N ATOM 1715 CA GLN A 125 4.768 8.935 -2.730 1.00 0.00 C ATOM 1716 C GLN A 125 5.122 10.335 -2.234 1.00 0.00 C ATOM 1717 O GLN A 125 6.187 10.867 -2.547 1.00 0.00 O ATOM 1718 CB GLN A 125 4.178 9.019 -4.134 1.00 0.00 C ATOM 1719 CG GLN A 125 4.143 7.707 -4.885 1.00 0.00 C ATOM 1720 CD GLN A 125 3.472 7.844 -6.239 1.00 0.00 C ATOM 1721 OE1 GLN A 125 2.261 7.667 -6.367 1.00 0.00 O ATOM 1722 NE2 GLN A 125 4.251 8.165 -7.251 1.00 0.00 N ATOM 0 H GLN A 125 2.878 8.213 -2.214 1.00 0.00 H new ATOM 0 HA GLN A 125 5.680 8.339 -2.751 1.00 0.00 H new ATOM 0 HB2 GLN A 125 3.163 9.409 -4.064 1.00 0.00 H new ATOM 0 HB3 GLN A 125 4.756 9.738 -4.714 1.00 0.00 H new ATOM 0 HG2 GLN A 125 5.160 7.340 -5.020 1.00 0.00 H new ATOM 0 HG3 GLN A 125 3.612 6.963 -4.291 1.00 0.00 H new ATOM 0 HE21 GLN A 125 5.251 8.303 -7.101 1.00 0.00 H new ATOM 0 HE22 GLN A 125 3.855 8.276 -8.184 1.00 0.00 H new ATOM 1731 N GLY A 126 4.223 10.921 -1.461 1.00 0.00 N ATOM 1732 CA GLY A 126 4.427 12.266 -0.976 1.00 0.00 C ATOM 1733 C GLY A 126 5.238 12.337 0.305 1.00 0.00 C ATOM 1734 O GLY A 126 6.236 13.050 0.369 1.00 0.00 O ATOM 0 H GLY A 126 3.351 10.485 -1.160 1.00 0.00 H new ATOM 0 HA2 GLY A 126 4.931 12.848 -1.747 1.00 0.00 H new ATOM 0 HA3 GLY A 126 3.457 12.733 -0.807 1.00 0.00 H new ATOM 1738 N LEU A 127 4.820 11.602 1.324 1.00 0.00 N ATOM 1739 CA LEU A 127 5.479 11.677 2.625 1.00 0.00 C ATOM 1740 C LEU A 127 6.215 10.391 2.982 1.00 0.00 C ATOM 1741 O LEU A 127 7.096 10.399 3.836 1.00 0.00 O ATOM 1742 CB LEU A 127 4.456 11.998 3.718 1.00 0.00 C ATOM 1743 CG LEU A 127 3.675 13.305 3.547 1.00 0.00 C ATOM 1744 CD1 LEU A 127 2.642 13.455 4.655 1.00 0.00 C ATOM 1745 CD2 LEU A 127 4.623 14.501 3.534 1.00 0.00 C ATOM 0 H LEU A 127 4.035 10.952 1.280 1.00 0.00 H new ATOM 0 HA LEU A 127 6.219 12.474 2.558 1.00 0.00 H new ATOM 0 HB2 LEU A 127 3.742 11.176 3.772 1.00 0.00 H new ATOM 0 HB3 LEU A 127 4.976 12.032 4.675 1.00 0.00 H new ATOM 0 HG LEU A 127 3.154 13.271 2.590 1.00 0.00 H new ATOM 0 HD11 LEU A 127 2.096 14.388 4.519 1.00 0.00 H new ATOM 0 HD12 LEU A 127 1.945 12.618 4.618 1.00 0.00 H new ATOM 0 HD13 LEU A 127 3.145 13.466 5.622 1.00 0.00 H new ATOM 0 HD21 LEU A 127 4.049 15.419 3.412 1.00 0.00 H new ATOM 0 HD22 LEU A 127 5.173 14.540 4.474 1.00 0.00 H new ATOM 0 HD23 LEU A 127 5.325 14.400 2.707 1.00 0.00 H new ATOM 1757 N GLY A 128 5.865 9.301 2.332 1.00 0.00 N ATOM 1758 CA GLY A 128 6.465 8.025 2.676 1.00 0.00 C ATOM 1759 C GLY A 128 5.796 7.438 3.898 1.00 0.00 C ATOM 1760 O GLY A 128 6.313 7.537 5.012 1.00 0.00 O ATOM 0 H GLY A 128 5.181 9.269 1.576 1.00 0.00 H new ATOM 0 HA2 GLY A 128 6.373 7.335 1.837 1.00 0.00 H new ATOM 0 HA3 GLY A 128 7.530 8.157 2.865 1.00 0.00 H new ATOM 1764 N ILE A 129 4.642 6.834 3.681 1.00 0.00 N ATOM 1765 CA ILE A 129 3.815 6.313 4.761 1.00 0.00 C ATOM 1766 C ILE A 129 4.475 5.169 5.535 1.00 0.00 C ATOM 1767 O ILE A 129 5.060 4.251 4.956 1.00 0.00 O ATOM 1768 CB ILE A 129 2.434 5.843 4.240 1.00 0.00 C ATOM 1769 CG1 ILE A 129 1.621 7.017 3.678 1.00 0.00 C ATOM 1770 CG2 ILE A 129 1.658 5.133 5.330 1.00 0.00 C ATOM 1771 CD1 ILE A 129 1.427 8.166 4.654 1.00 0.00 C ATOM 0 H ILE A 129 4.249 6.689 2.751 1.00 0.00 H new ATOM 0 HA ILE A 129 3.686 7.148 5.450 1.00 0.00 H new ATOM 0 HB ILE A 129 2.611 5.137 3.428 1.00 0.00 H new ATOM 0 HG12 ILE A 129 2.119 7.394 2.785 1.00 0.00 H new ATOM 0 HG13 ILE A 129 0.643 6.651 3.367 1.00 0.00 H new ATOM 0 HG21 ILE A 129 0.692 4.813 4.939 1.00 0.00 H new ATOM 0 HG22 ILE A 129 2.220 4.262 5.668 1.00 0.00 H new ATOM 0 HG23 ILE A 129 1.503 5.813 6.168 1.00 0.00 H new ATOM 0 HD11 ILE A 129 0.843 8.953 4.178 1.00 0.00 H new ATOM 0 HD12 ILE A 129 0.900 7.807 5.538 1.00 0.00 H new ATOM 0 HD13 ILE A 129 2.399 8.563 4.947 1.00 0.00 H new ATOM 1783 N ASN A 130 4.352 5.245 6.849 1.00 0.00 N ATOM 1784 CA ASN A 130 4.837 4.223 7.757 1.00 0.00 C ATOM 1785 C ASN A 130 3.745 3.952 8.787 1.00 0.00 C ATOM 1786 O ASN A 130 3.256 4.876 9.429 1.00 0.00 O ATOM 1787 CB ASN A 130 6.118 4.695 8.457 1.00 0.00 C ATOM 1788 CG ASN A 130 6.838 3.583 9.215 1.00 0.00 C ATOM 1789 OD1 ASN A 130 6.221 2.634 9.699 1.00 0.00 O ATOM 1790 ND2 ASN A 130 8.151 3.699 9.320 1.00 0.00 N ATOM 0 H ASN A 130 3.905 6.031 7.321 1.00 0.00 H new ATOM 0 HA ASN A 130 5.072 3.313 7.206 1.00 0.00 H new ATOM 0 HB2 ASN A 130 6.795 5.116 7.714 1.00 0.00 H new ATOM 0 HB3 ASN A 130 5.869 5.497 9.152 1.00 0.00 H new ATOM 0 HD21 ASN A 130 8.688 2.987 9.816 1.00 0.00 H new ATOM 0 HD22 ASN A 130 8.627 4.500 8.905 1.00 0.00 H new ATOM 1797 N VAL A 131 3.350 2.703 8.934 1.00 0.00 N ATOM 1798 CA VAL A 131 2.273 2.374 9.847 1.00 0.00 C ATOM 1799 C VAL A 131 2.791 2.086 11.244 1.00 0.00 C ATOM 1800 O VAL A 131 3.484 1.092 11.483 1.00 0.00 O ATOM 1801 CB VAL A 131 1.456 1.177 9.367 1.00 0.00 C ATOM 1802 CG1 VAL A 131 0.229 0.980 10.240 1.00 0.00 C ATOM 1803 CG2 VAL A 131 1.067 1.328 7.912 1.00 0.00 C ATOM 0 H VAL A 131 3.753 1.907 8.439 1.00 0.00 H new ATOM 0 HA VAL A 131 1.628 3.252 9.875 1.00 0.00 H new ATOM 0 HB VAL A 131 2.081 0.288 9.452 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -0.339 0.122 9.881 1.00 0.00 H new ATOM 0 HG12 VAL A 131 0.540 0.804 11.270 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -0.395 1.872 10.197 1.00 0.00 H new ATOM 0 HG21 VAL A 131 0.486 0.460 7.599 1.00 0.00 H new ATOM 0 HG22 VAL A 131 0.468 2.230 7.787 1.00 0.00 H new ATOM 0 HG23 VAL A 131 1.966 1.402 7.301 1.00 0.00 H new ATOM 1813 N ASP A 132 2.429 2.941 12.151 1.00 0.00 N ATOM 1814 CA ASP A 132 2.826 2.833 13.544 1.00 0.00 C ATOM 1815 C ASP A 132 1.706 2.239 14.383 1.00 0.00 C ATOM 1816 O ASP A 132 1.446 2.677 15.503 1.00 0.00 O ATOM 1817 CB ASP A 132 3.222 4.204 14.087 1.00 0.00 C ATOM 1818 CG ASP A 132 2.126 5.260 13.936 1.00 0.00 C ATOM 1819 OD1 ASP A 132 1.725 5.557 12.783 1.00 0.00 O ATOM 1820 OD2 ASP A 132 1.685 5.820 14.966 1.00 0.00 O ATOM 0 H ASP A 132 1.840 3.750 11.953 1.00 0.00 H new ATOM 0 HA ASP A 132 3.686 2.166 13.603 1.00 0.00 H new ATOM 0 HB2 ASP A 132 3.480 4.108 15.142 1.00 0.00 H new ATOM 0 HB3 ASP A 132 4.119 4.546 13.570 1.00 0.00 H new ATOM 1825 N SER A 133 1.072 1.212 13.854 1.00 0.00 N ATOM 1826 CA SER A 133 -0.035 0.561 14.533 1.00 0.00 C ATOM 1827 C SER A 133 0.456 -0.384 15.629 1.00 0.00 C ATOM 1828 O SER A 133 -0.338 -1.078 16.270 1.00 0.00 O ATOM 1829 CB SER A 133 -0.880 -0.198 13.520 1.00 0.00 C ATOM 1830 OG SER A 133 -0.081 -1.118 12.780 1.00 0.00 O ATOM 0 H SER A 133 1.306 0.806 12.948 1.00 0.00 H new ATOM 0 HA SER A 133 -0.642 1.330 15.011 1.00 0.00 H new ATOM 0 HB2 SER A 133 -1.677 -0.734 14.034 1.00 0.00 H new ATOM 0 HB3 SER A 133 -1.357 0.506 12.838 1.00 0.00 H new ATOM 0 HG SER A 133 -0.644 -1.596 12.136 1.00 0.00 H new ATOM 1836 N GLY A 134 1.759 -0.420 15.831 1.00 0.00 N ATOM 1837 CA GLY A 134 2.316 -1.276 16.841 1.00 0.00 C ATOM 1838 C GLY A 134 2.922 -2.525 16.256 1.00 0.00 C ATOM 1839 O GLY A 134 3.858 -3.090 16.813 1.00 0.00 O ATOM 0 H GLY A 134 2.441 0.132 15.310 1.00 0.00 H new ATOM 0 HA2 GLY A 134 3.078 -0.731 17.398 1.00 0.00 H new ATOM 0 HA3 GLY A 134 1.537 -1.551 17.552 1.00 0.00 H new ATOM 1843 N SER A 135 2.409 -2.936 15.118 1.00 0.00 N ATOM 1844 CA SER A 135 2.842 -4.180 14.501 1.00 0.00 C ATOM 1845 C SER A 135 3.737 -3.955 13.278 1.00 0.00 C ATOM 1846 O SER A 135 4.757 -4.625 13.115 1.00 0.00 O ATOM 1847 CB SER A 135 1.622 -5.018 14.102 1.00 0.00 C ATOM 1848 OG SER A 135 0.755 -5.230 15.208 1.00 0.00 O ATOM 0 H SER A 135 1.692 -2.431 14.598 1.00 0.00 H new ATOM 0 HA SER A 135 3.438 -4.712 15.243 1.00 0.00 H new ATOM 0 HB2 SER A 135 1.078 -4.514 13.303 1.00 0.00 H new ATOM 0 HB3 SER A 135 1.952 -5.979 13.707 1.00 0.00 H new ATOM 0 HG SER A 135 0.074 -5.893 14.968 1.00 0.00 H new ATOM 1854 N VAL A 136 3.366 -3.000 12.438 1.00 0.00 N ATOM 1855 CA VAL A 136 4.050 -2.790 11.169 1.00 0.00 C ATOM 1856 C VAL A 136 5.450 -2.220 11.350 1.00 0.00 C ATOM 1857 O VAL A 136 6.442 -2.869 11.010 1.00 0.00 O ATOM 1858 CB VAL A 136 3.237 -1.854 10.259 1.00 0.00 C ATOM 1859 CG1 VAL A 136 3.838 -1.801 8.859 1.00 0.00 C ATOM 1860 CG2 VAL A 136 1.789 -2.299 10.211 1.00 0.00 C ATOM 0 H VAL A 136 2.594 -2.357 12.612 1.00 0.00 H new ATOM 0 HA VAL A 136 4.142 -3.771 10.703 1.00 0.00 H new ATOM 0 HB VAL A 136 3.275 -0.847 10.675 1.00 0.00 H new ATOM 0 HG11 VAL A 136 3.246 -1.133 8.234 1.00 0.00 H new ATOM 0 HG12 VAL A 136 4.862 -1.432 8.916 1.00 0.00 H new ATOM 0 HG13 VAL A 136 3.837 -2.801 8.424 1.00 0.00 H new ATOM 0 HG21 VAL A 136 1.224 -1.629 9.564 1.00 0.00 H new ATOM 0 HG22 VAL A 136 1.733 -3.315 9.819 1.00 0.00 H new ATOM 0 HG23 VAL A 136 1.367 -2.274 11.216 1.00 0.00 H new ATOM 1870 N GLN A 137 5.524 -1.021 11.900 1.00 0.00 N ATOM 1871 CA GLN A 137 6.790 -0.327 12.075 1.00 0.00 C ATOM 1872 C GLN A 137 7.758 -1.119 12.943 1.00 0.00 C ATOM 1873 O GLN A 137 8.933 -1.228 12.621 1.00 0.00 O ATOM 1874 CB GLN A 137 6.547 1.043 12.669 1.00 0.00 C ATOM 1875 CG GLN A 137 7.759 1.954 12.662 1.00 0.00 C ATOM 1876 CD GLN A 137 7.399 3.384 13.004 1.00 0.00 C ATOM 1877 OE1 GLN A 137 6.203 3.795 12.625 1.00 0.00 O flip ATOM 1878 NE2 GLN A 137 8.192 4.118 13.588 1.00 0.00 N flip ATOM 0 H GLN A 137 4.713 -0.502 12.237 1.00 0.00 H new ATOM 0 HA GLN A 137 7.251 -0.220 11.093 1.00 0.00 H new ATOM 0 HB2 GLN A 137 5.741 1.527 12.117 1.00 0.00 H new ATOM 0 HB3 GLN A 137 6.203 0.924 13.697 1.00 0.00 H new ATOM 0 HG2 GLN A 137 8.494 1.585 13.378 1.00 0.00 H new ATOM 0 HG3 GLN A 137 8.229 1.924 11.679 1.00 0.00 H new ATOM 0 HE21 GLN A 137 9.107 3.763 13.865 1.00 0.00 H new ATOM 0 HE22 GLN A 137 7.935 5.083 13.796 1.00 0.00 H new ATOM 1887 N SER A 138 7.258 -1.679 14.028 1.00 0.00 N ATOM 1888 CA SER A 138 8.083 -2.455 14.945 1.00 0.00 C ATOM 1889 C SER A 138 8.751 -3.634 14.222 1.00 0.00 C ATOM 1890 O SER A 138 9.920 -3.954 14.472 1.00 0.00 O ATOM 1891 CB SER A 138 7.218 -2.954 16.094 1.00 0.00 C ATOM 1892 OG SER A 138 6.414 -1.901 16.601 1.00 0.00 O ATOM 0 H SER A 138 6.277 -1.612 14.301 1.00 0.00 H new ATOM 0 HA SER A 138 8.876 -1.817 15.336 1.00 0.00 H new ATOM 0 HB2 SER A 138 6.584 -3.772 15.752 1.00 0.00 H new ATOM 0 HB3 SER A 138 7.850 -3.352 16.888 1.00 0.00 H new ATOM 0 HG SER A 138 5.489 -2.212 16.695 1.00 0.00 H new ATOM 1898 N ASP A 139 8.014 -4.245 13.306 1.00 0.00 N ATOM 1899 CA ASP A 139 8.512 -5.391 12.556 1.00 0.00 C ATOM 1900 C ASP A 139 9.549 -4.952 11.544 1.00 0.00 C ATOM 1901 O ASP A 139 10.687 -5.412 11.568 1.00 0.00 O ATOM 1902 CB ASP A 139 7.364 -6.086 11.830 1.00 0.00 C ATOM 1903 CG ASP A 139 7.587 -7.575 11.655 1.00 0.00 C ATOM 1904 OD1 ASP A 139 8.450 -7.969 10.847 1.00 0.00 O ATOM 1905 OD2 ASP A 139 6.878 -8.365 12.321 1.00 0.00 O ATOM 0 H ASP A 139 7.064 -3.965 13.063 1.00 0.00 H new ATOM 0 HA ASP A 139 8.970 -6.086 13.260 1.00 0.00 H new ATOM 0 HB2 ASP A 139 6.440 -5.926 12.386 1.00 0.00 H new ATOM 0 HB3 ASP A 139 7.230 -5.627 10.850 1.00 0.00 H new ATOM 1910 N ILE A 140 9.155 -4.028 10.673 1.00 0.00 N ATOM 1911 CA ILE A 140 10.025 -3.546 9.603 1.00 0.00 C ATOM 1912 C ILE A 140 11.287 -2.869 10.135 1.00 0.00 C ATOM 1913 O ILE A 140 12.306 -2.875 9.478 1.00 0.00 O ATOM 1914 CB ILE A 140 9.293 -2.581 8.635 1.00 0.00 C ATOM 1915 CG1 ILE A 140 8.811 -1.331 9.375 1.00 0.00 C ATOM 1916 CG2 ILE A 140 8.128 -3.290 7.955 1.00 0.00 C ATOM 1917 CD1 ILE A 140 8.194 -0.282 8.476 1.00 0.00 C ATOM 0 H ILE A 140 8.232 -3.595 10.687 1.00 0.00 H new ATOM 0 HA ILE A 140 10.318 -4.438 9.050 1.00 0.00 H new ATOM 0 HB ILE A 140 9.999 -2.266 7.866 1.00 0.00 H new ATOM 0 HG12 ILE A 140 8.079 -1.626 10.127 1.00 0.00 H new ATOM 0 HG13 ILE A 140 9.654 -0.889 9.907 1.00 0.00 H new ATOM 0 HG21 ILE A 140 7.625 -2.598 7.279 1.00 0.00 H new ATOM 0 HG22 ILE A 140 8.502 -4.143 7.389 1.00 0.00 H new ATOM 0 HG23 ILE A 140 7.422 -3.637 8.710 1.00 0.00 H new ATOM 0 HD11 ILE A 140 7.878 0.571 9.076 1.00 0.00 H new ATOM 0 HD12 ILE A 140 8.929 0.044 7.740 1.00 0.00 H new ATOM 0 HD13 ILE A 140 7.330 -0.705 7.963 1.00 0.00 H new ATOM 1929 N SER A 141 11.217 -2.303 11.322 1.00 0.00 N ATOM 1930 CA SER A 141 12.376 -1.634 11.896 1.00 0.00 C ATOM 1931 C SER A 141 13.388 -2.651 12.404 1.00 0.00 C ATOM 1932 O SER A 141 14.599 -2.450 12.297 1.00 0.00 O ATOM 1933 CB SER A 141 11.964 -0.676 13.014 1.00 0.00 C ATOM 1934 OG SER A 141 11.060 0.303 12.531 1.00 0.00 O ATOM 0 H SER A 141 10.381 -2.290 11.906 1.00 0.00 H new ATOM 0 HA SER A 141 12.846 -1.046 11.108 1.00 0.00 H new ATOM 0 HB2 SER A 141 11.501 -1.236 13.826 1.00 0.00 H new ATOM 0 HB3 SER A 141 12.848 -0.189 13.426 1.00 0.00 H new ATOM 0 HG SER A 141 10.146 -0.047 12.572 1.00 0.00 H new ATOM 1940 N SER A 142 12.888 -3.753 12.936 1.00 0.00 N ATOM 1941 CA SER A 142 13.741 -4.807 13.443 1.00 0.00 C ATOM 1942 C SER A 142 14.268 -5.661 12.293 1.00 0.00 C ATOM 1943 O SER A 142 15.371 -6.209 12.358 1.00 0.00 O ATOM 1944 CB SER A 142 12.962 -5.671 14.438 1.00 0.00 C ATOM 1945 OG SER A 142 12.379 -4.867 15.458 1.00 0.00 O ATOM 0 H SER A 142 11.889 -3.939 13.027 1.00 0.00 H new ATOM 0 HA SER A 142 14.592 -4.359 13.956 1.00 0.00 H new ATOM 0 HB2 SER A 142 12.182 -6.223 13.914 1.00 0.00 H new ATOM 0 HB3 SER A 142 13.628 -6.408 14.886 1.00 0.00 H new ATOM 0 HG SER A 142 11.521 -4.512 15.144 1.00 0.00 H new ATOM 1951 N SER A 143 13.482 -5.743 11.234 1.00 0.00 N ATOM 1952 CA SER A 143 13.831 -6.536 10.077 1.00 0.00 C ATOM 1953 C SER A 143 14.693 -5.734 9.092 1.00 0.00 C ATOM 1954 O SER A 143 15.416 -6.304 8.270 1.00 0.00 O ATOM 1955 CB SER A 143 12.552 -7.023 9.405 1.00 0.00 C ATOM 1956 OG SER A 143 11.795 -5.947 8.895 1.00 0.00 O ATOM 0 H SER A 143 12.586 -5.261 11.156 1.00 0.00 H new ATOM 0 HA SER A 143 14.423 -7.393 10.399 1.00 0.00 H new ATOM 0 HB2 SER A 143 12.803 -7.709 8.596 1.00 0.00 H new ATOM 0 HB3 SER A 143 11.953 -7.583 10.123 1.00 0.00 H new ATOM 0 HG SER A 143 10.903 -6.265 8.643 1.00 0.00 H new ATOM 1962 N SER A 144 14.623 -4.413 9.196 1.00 0.00 N ATOM 1963 CA SER A 144 15.371 -3.520 8.324 1.00 0.00 C ATOM 1964 C SER A 144 16.882 -3.689 8.494 1.00 0.00 C ATOM 1965 O SER A 144 17.655 -3.297 7.626 1.00 0.00 O ATOM 1966 CB SER A 144 14.947 -2.061 8.543 1.00 0.00 C ATOM 1967 OG SER A 144 15.714 -1.164 7.754 1.00 0.00 O ATOM 0 H SER A 144 14.047 -3.932 9.887 1.00 0.00 H new ATOM 0 HA SER A 144 15.133 -3.793 7.296 1.00 0.00 H new ATOM 0 HB2 SER A 144 13.891 -1.949 8.298 1.00 0.00 H new ATOM 0 HB3 SER A 144 15.058 -1.805 9.597 1.00 0.00 H new ATOM 0 HG SER A 144 15.415 -0.245 7.919 1.00 0.00 H new