USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 963 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 42 MET CE :methyl -128:sc= -1.71 (180deg=-6.81!) USER MOD Set 1.2: A 49 TYR OH : rot 30:sc= -1.14 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0.351 K(o=0.35,f=-0.17) USER MOD Single : A 24 THR OG1 : rot 92:sc= 1.22 USER MOD Single : A 25 TYR OH : rot 180:sc=-0.00436 USER MOD Single : A 31 MET CE :methyl 179:sc= 0 (180deg=-0.00242) USER MOD Single : A 32 MET CE :methyl -165:sc= -0.0913 (180deg=-0.5) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 102:sc= 0.161 USER MOD Single : A 50 ASN :FLIP amide:sc= 0 F(o=-0.94,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HE2:sc= -2.7! C(o=-2.7!,f=-6.6!) USER MOD Single : A 56 TYR OH : rot 55:sc= 0.519 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -176:sc= -3.64! (180deg=-4.12!) USER MOD Single : A 79 ASN :FLIP amide:sc= 0.221 F(o=-1.6!,f=0.22) USER MOD Single : A 81 ASN : amide:sc= -5.87! C(o=-5.9!,f=-7.9!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.902 X(o=-0.9,f=-1.3) USER MOD Single : A 121 TYR OH : rot 180:sc= -0.251 USER MOD Single : A 122 HIS :FLIP no HD1:sc= -0.202 F(o=-1,f=-0.2) USER MOD Single : A 131 HIS :FLIP no HD1:sc= -0.385 F(o=-1.2,f=-0.38) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 95 N PRO A 7 2.783 4.455 18.226 1.00 0.00 N ATOM 96 CA PRO A 7 3.595 5.670 18.103 1.00 0.00 C ATOM 97 C PRO A 7 4.077 5.912 16.684 1.00 0.00 C ATOM 98 O PRO A 7 4.879 6.810 16.426 1.00 0.00 O ATOM 99 CB PRO A 7 4.797 5.405 19.015 1.00 0.00 C ATOM 100 CG PRO A 7 4.445 4.186 19.806 1.00 0.00 C ATOM 101 CD PRO A 7 3.505 3.398 18.945 1.00 0.00 C ATOM 0 HA PRO A 7 3.018 6.555 18.372 1.00 0.00 H new ATOM 0 HB2 PRO A 7 5.703 5.244 18.431 1.00 0.00 H new ATOM 0 HB3 PRO A 7 4.986 6.255 19.670 1.00 0.00 H new ATOM 0 HG2 PRO A 7 5.335 3.605 20.046 1.00 0.00 H new ATOM 0 HG3 PRO A 7 3.976 4.456 20.752 1.00 0.00 H new ATOM 0 HD2 PRO A 7 4.037 2.733 18.265 1.00 0.00 H new ATOM 0 HD3 PRO A 7 2.833 2.777 19.538 1.00 0.00 H new ATOM 109 N VAL A 8 3.576 5.104 15.778 1.00 0.00 N ATOM 110 CA VAL A 8 3.944 5.195 14.369 1.00 0.00 C ATOM 111 C VAL A 8 2.903 5.972 13.566 1.00 0.00 C ATOM 112 O VAL A 8 1.707 5.691 13.648 1.00 0.00 O ATOM 113 CB VAL A 8 4.102 3.798 13.742 1.00 0.00 C ATOM 114 CG1 VAL A 8 4.838 3.885 12.410 1.00 0.00 C ATOM 115 CG2 VAL A 8 4.811 2.854 14.706 1.00 0.00 C ATOM 0 H VAL A 8 2.904 4.366 15.988 1.00 0.00 H new ATOM 0 HA VAL A 8 4.897 5.723 14.332 1.00 0.00 H new ATOM 0 HB VAL A 8 3.109 3.393 13.547 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.939 2.887 11.984 1.00 0.00 H new ATOM 0 HG12 VAL A 8 4.275 4.517 11.724 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.828 4.314 12.568 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.913 1.872 14.244 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.799 3.249 14.941 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.228 2.765 15.623 1.00 0.00 H new ATOM 125 N THR A 9 3.370 6.948 12.791 1.00 0.00 N ATOM 126 CA THR A 9 2.488 7.762 11.962 1.00 0.00 C ATOM 127 C THR A 9 3.173 8.148 10.655 1.00 0.00 C ATOM 128 O THR A 9 4.360 8.472 10.639 1.00 0.00 O ATOM 129 CB THR A 9 2.048 9.048 12.687 1.00 0.00 C ATOM 130 OG1 THR A 9 3.197 9.791 13.108 1.00 0.00 O ATOM 131 CG2 THR A 9 1.179 8.723 13.893 1.00 0.00 C ATOM 0 H THR A 9 4.357 7.194 12.721 1.00 0.00 H new ATOM 0 HA THR A 9 1.607 7.155 11.753 1.00 0.00 H new ATOM 0 HB THR A 9 1.463 9.647 11.990 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.908 10.608 13.566 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.882 9.648 14.387 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.290 8.184 13.566 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.742 8.104 14.591 1.00 0.00 H new ATOM 139 N ALA A 10 2.419 8.107 9.562 1.00 0.00 N ATOM 140 CA ALA A 10 2.957 8.452 8.251 1.00 0.00 C ATOM 141 C ALA A 10 2.995 9.963 8.052 1.00 0.00 C ATOM 142 O ALA A 10 2.625 10.727 8.943 1.00 0.00 O ATOM 143 CB ALA A 10 2.135 7.794 7.154 1.00 0.00 C ATOM 0 H ALA A 10 1.435 7.839 9.558 1.00 0.00 H new ATOM 0 HA ALA A 10 3.980 8.080 8.197 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.548 8.060 6.181 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.164 6.711 7.277 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.103 8.138 7.217 1.00 0.00 H new ATOM 149 N SER A 11 3.447 10.387 6.876 1.00 0.00 N ATOM 150 CA SER A 11 3.535 11.808 6.556 1.00 0.00 C ATOM 151 C SER A 11 3.592 12.021 5.047 1.00 0.00 C ATOM 152 O SER A 11 4.120 11.188 4.313 1.00 0.00 O ATOM 153 CB SER A 11 4.769 12.426 7.216 1.00 0.00 C ATOM 154 OG SER A 11 4.844 13.816 6.957 1.00 0.00 O ATOM 0 H SER A 11 3.758 9.767 6.128 1.00 0.00 H new ATOM 0 HA SER A 11 2.641 12.298 6.942 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.734 12.255 8.292 1.00 0.00 H new ATOM 0 HB3 SER A 11 5.668 11.935 6.844 1.00 0.00 H new ATOM 0 HG SER A 11 5.640 14.187 7.391 1.00 0.00 H new ATOM 160 N LEU A 12 3.046 13.142 4.588 1.00 0.00 N ATOM 161 CA LEU A 12 3.036 13.455 3.165 1.00 0.00 C ATOM 162 C LEU A 12 4.279 14.243 2.765 1.00 0.00 C ATOM 163 O LEU A 12 4.529 15.333 3.280 1.00 0.00 O ATOM 164 CB LEU A 12 1.777 14.243 2.804 1.00 0.00 C ATOM 165 CG LEU A 12 1.580 14.498 1.309 1.00 0.00 C ATOM 166 CD1 LEU A 12 1.505 13.180 0.551 1.00 0.00 C ATOM 167 CD2 LEU A 12 0.327 15.325 1.073 1.00 0.00 C ATOM 0 H LEU A 12 2.606 13.847 5.179 1.00 0.00 H new ATOM 0 HA LEU A 12 3.038 12.514 2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.908 13.704 3.183 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.807 15.203 3.320 1.00 0.00 H new ATOM 0 HG LEU A 12 2.437 15.060 0.936 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.365 13.379 -0.511 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.431 12.623 0.697 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.666 12.593 0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.201 15.498 0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.540 14.789 1.459 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.420 16.282 1.587 1.00 0.00 H new ATOM 179 N VAL A 13 5.054 13.681 1.843 1.00 0.00 N ATOM 180 CA VAL A 13 6.272 14.328 1.365 1.00 0.00 C ATOM 181 C VAL A 13 5.944 15.398 0.328 1.00 0.00 C ATOM 182 O VAL A 13 4.898 15.343 -0.319 1.00 0.00 O ATOM 183 CB VAL A 13 7.244 13.299 0.749 1.00 0.00 C ATOM 184 CG1 VAL A 13 8.541 13.968 0.322 1.00 0.00 C ATOM 185 CG2 VAL A 13 7.521 12.173 1.732 1.00 0.00 C ATOM 0 H VAL A 13 4.860 12.778 1.411 1.00 0.00 H new ATOM 0 HA VAL A 13 6.752 14.795 2.225 1.00 0.00 H new ATOM 0 HB VAL A 13 6.774 12.875 -0.138 1.00 0.00 H new ATOM 0 HG11 VAL A 13 9.210 13.223 -0.109 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.327 14.736 -0.421 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.017 14.425 1.189 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.208 11.457 1.281 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.967 12.583 2.638 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.587 11.671 1.983 1.00 0.00 H new ATOM 195 N ALA A 14 6.839 16.371 0.173 1.00 0.00 N ATOM 196 CA ALA A 14 6.634 17.447 -0.788 1.00 0.00 C ATOM 197 C ALA A 14 6.482 16.892 -2.199 1.00 0.00 C ATOM 198 O ALA A 14 6.896 15.768 -2.479 1.00 0.00 O ATOM 199 CB ALA A 14 7.787 18.438 -0.728 1.00 0.00 C ATOM 0 H ALA A 14 7.710 16.435 0.700 1.00 0.00 H new ATOM 0 HA ALA A 14 5.713 17.968 -0.526 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.619 19.236 -1.452 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.849 18.864 0.273 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.720 17.925 -0.963 1.00 0.00 H new ATOM 205 N GLU A 15 5.890 17.684 -3.086 1.00 0.00 N ATOM 206 CA GLU A 15 5.681 17.262 -4.467 1.00 0.00 C ATOM 207 C GLU A 15 6.990 17.262 -5.252 1.00 0.00 C ATOM 208 O GLU A 15 7.170 16.466 -6.173 1.00 0.00 O ATOM 209 CB GLU A 15 4.667 18.179 -5.154 1.00 0.00 C ATOM 210 CG GLU A 15 5.112 19.631 -5.229 1.00 0.00 C ATOM 211 CD GLU A 15 4.155 20.495 -6.028 1.00 0.00 C ATOM 212 OE1 GLU A 15 3.194 21.022 -5.430 1.00 0.00 O ATOM 213 OE2 GLU A 15 4.367 20.642 -7.250 1.00 0.00 O ATOM 0 H GLU A 15 5.547 18.621 -2.874 1.00 0.00 H new ATOM 0 HA GLU A 15 5.293 16.243 -4.448 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.483 17.812 -6.164 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.720 18.125 -4.618 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.201 20.032 -4.219 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.103 19.680 -5.680 1.00 0.00 H new ATOM 220 N ALA A 16 7.901 18.155 -4.882 1.00 0.00 N ATOM 221 CA ALA A 16 9.185 18.263 -5.564 1.00 0.00 C ATOM 222 C ALA A 16 10.227 17.312 -4.979 1.00 0.00 C ATOM 223 O ALA A 16 11.347 17.231 -5.481 1.00 0.00 O ATOM 224 CB ALA A 16 9.693 19.696 -5.500 1.00 0.00 C ATOM 0 H ALA A 16 7.774 18.814 -4.114 1.00 0.00 H new ATOM 0 HA ALA A 16 9.027 17.978 -6.604 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.653 19.765 -6.012 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.975 20.359 -5.983 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.816 19.992 -4.458 1.00 0.00 H new ATOM 230 N GLN A 17 9.858 16.592 -3.923 1.00 0.00 N ATOM 231 CA GLN A 17 10.780 15.657 -3.282 1.00 0.00 C ATOM 232 C GLN A 17 10.229 14.235 -3.279 1.00 0.00 C ATOM 233 O GLN A 17 10.978 13.272 -3.122 1.00 0.00 O ATOM 234 CB GLN A 17 11.068 16.100 -1.846 1.00 0.00 C ATOM 235 CG GLN A 17 11.848 17.400 -1.760 1.00 0.00 C ATOM 236 CD GLN A 17 13.257 17.267 -2.298 1.00 0.00 C ATOM 237 OE1 GLN A 17 14.200 17.010 -1.549 1.00 0.00 O ATOM 238 NE2 GLN A 17 13.406 17.424 -3.608 1.00 0.00 N ATOM 0 H GLN A 17 8.933 16.637 -3.495 1.00 0.00 H new ATOM 0 HA GLN A 17 11.705 15.661 -3.859 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.124 16.216 -1.313 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.627 15.315 -1.337 1.00 0.00 H new ATOM 0 HG2 GLN A 17 11.321 18.174 -2.318 1.00 0.00 H new ATOM 0 HG3 GLN A 17 11.889 17.728 -0.721 1.00 0.00 H new ATOM 0 HE21 GLN A 17 12.597 17.636 -4.192 1.00 0.00 H new ATOM 0 HE22 GLN A 17 14.330 17.332 -4.031 1.00 0.00 H new ATOM 247 N ARG A 18 8.919 14.109 -3.454 1.00 0.00 N ATOM 248 CA ARG A 18 8.273 12.801 -3.458 1.00 0.00 C ATOM 249 C ARG A 18 8.703 11.967 -4.663 1.00 0.00 C ATOM 250 O ARG A 18 8.721 10.738 -4.600 1.00 0.00 O ATOM 251 CB ARG A 18 6.751 12.963 -3.453 1.00 0.00 C ATOM 252 CG ARG A 18 6.202 13.615 -4.713 1.00 0.00 C ATOM 253 CD ARG A 18 4.701 13.837 -4.620 1.00 0.00 C ATOM 254 NE ARG A 18 3.968 12.583 -4.471 1.00 0.00 N ATOM 255 CZ ARG A 18 2.842 12.304 -5.120 1.00 0.00 C ATOM 256 NH1 ARG A 18 2.327 13.184 -5.969 1.00 0.00 N ATOM 257 NH2 ARG A 18 2.230 11.145 -4.923 1.00 0.00 N ATOM 0 H ARG A 18 8.284 14.895 -3.595 1.00 0.00 H new ATOM 0 HA ARG A 18 8.584 12.275 -2.555 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.290 11.983 -3.331 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.461 13.561 -2.589 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.702 14.570 -4.877 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.425 12.986 -5.575 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.483 14.487 -3.772 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.355 14.354 -5.515 1.00 0.00 H new ATOM 0 HE ARG A 18 4.341 11.881 -3.832 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.795 14.077 -6.125 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.463 12.968 -6.466 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.623 10.465 -4.272 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.366 10.933 -5.422 1.00 0.00 H new ATOM 271 N LEU A 19 9.056 12.637 -5.755 1.00 0.00 N ATOM 272 CA LEU A 19 9.468 11.944 -6.974 1.00 0.00 C ATOM 273 C LEU A 19 10.842 11.301 -6.820 1.00 0.00 C ATOM 274 O LEU A 19 11.183 10.367 -7.548 1.00 0.00 O ATOM 275 CB LEU A 19 9.478 12.908 -8.161 1.00 0.00 C ATOM 276 CG LEU A 19 10.678 13.858 -8.232 1.00 0.00 C ATOM 277 CD1 LEU A 19 10.624 14.687 -9.506 1.00 0.00 C ATOM 278 CD2 LEU A 19 10.728 14.759 -7.008 1.00 0.00 C ATOM 0 H LEU A 19 9.066 13.655 -5.823 1.00 0.00 H new ATOM 0 HA LEU A 19 8.742 11.152 -7.158 1.00 0.00 H new ATOM 0 HB2 LEU A 19 9.445 12.324 -9.081 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.566 13.505 -8.129 1.00 0.00 H new ATOM 0 HG LEU A 19 11.588 13.259 -8.248 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.483 15.357 -9.541 1.00 0.00 H new ATOM 0 HD12 LEU A 19 10.644 14.025 -10.372 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.706 15.274 -9.519 1.00 0.00 H new ATOM 0 HD21 LEU A 19 11.588 15.424 -7.081 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.815 15.351 -6.955 1.00 0.00 H new ATOM 0 HD23 LEU A 19 10.817 14.148 -6.110 1.00 0.00 H new ATOM 290 N ASP A 20 11.627 11.801 -5.875 1.00 0.00 N ATOM 291 CA ASP A 20 12.964 11.271 -5.639 1.00 0.00 C ATOM 292 C ASP A 20 13.034 10.579 -4.287 1.00 0.00 C ATOM 293 O ASP A 20 13.996 9.875 -3.989 1.00 0.00 O ATOM 294 CB ASP A 20 14.000 12.393 -5.698 1.00 0.00 C ATOM 295 CG ASP A 20 15.420 11.867 -5.789 1.00 0.00 C ATOM 296 OD1 ASP A 20 15.816 11.415 -6.885 1.00 0.00 O ATOM 297 OD2 ASP A 20 16.136 11.909 -4.766 1.00 0.00 O ATOM 0 H ASP A 20 11.362 12.571 -5.261 1.00 0.00 H new ATOM 0 HA ASP A 20 13.183 10.543 -6.420 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.795 13.028 -6.560 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.904 13.019 -4.811 1.00 0.00 H new ATOM 302 N PHE A 21 12.002 10.778 -3.478 1.00 0.00 N ATOM 303 CA PHE A 21 11.943 10.178 -2.150 1.00 0.00 C ATOM 304 C PHE A 21 11.677 8.682 -2.248 1.00 0.00 C ATOM 305 O PHE A 21 12.306 7.882 -1.555 1.00 0.00 O ATOM 306 CB PHE A 21 10.852 10.840 -1.311 1.00 0.00 C ATOM 307 CG PHE A 21 10.932 10.510 0.152 1.00 0.00 C ATOM 308 CD1 PHE A 21 11.772 11.224 0.992 1.00 0.00 C ATOM 309 CD2 PHE A 21 10.166 9.487 0.688 1.00 0.00 C ATOM 310 CE1 PHE A 21 11.848 10.922 2.339 1.00 0.00 C ATOM 311 CE2 PHE A 21 10.237 9.181 2.035 1.00 0.00 C ATOM 312 CZ PHE A 21 11.079 9.900 2.860 1.00 0.00 C ATOM 0 H PHE A 21 11.193 11.351 -3.718 1.00 0.00 H new ATOM 0 HA PHE A 21 12.907 10.334 -1.666 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.917 11.921 -1.435 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.877 10.533 -1.691 1.00 0.00 H new ATOM 0 HD1 PHE A 21 12.374 12.025 0.590 1.00 0.00 H new ATOM 0 HD2 PHE A 21 9.506 8.922 0.046 1.00 0.00 H new ATOM 0 HE1 PHE A 21 12.508 11.485 2.983 1.00 0.00 H new ATOM 0 HE2 PHE A 21 9.635 8.381 2.441 1.00 0.00 H new ATOM 0 HZ PHE A 21 11.136 9.663 3.912 1.00 0.00 H new ATOM 322 N LEU A 22 10.737 8.313 -3.114 1.00 0.00 N ATOM 323 CA LEU A 22 10.387 6.912 -3.304 1.00 0.00 C ATOM 324 C LEU A 22 11.620 6.095 -3.697 1.00 0.00 C ATOM 325 O LEU A 22 11.916 5.085 -3.064 1.00 0.00 O ATOM 326 CB LEU A 22 9.287 6.769 -4.362 1.00 0.00 C ATOM 327 CG LEU A 22 8.295 5.625 -4.121 1.00 0.00 C ATOM 328 CD1 LEU A 22 8.999 4.278 -4.183 1.00 0.00 C ATOM 329 CD2 LEU A 22 7.592 5.797 -2.782 1.00 0.00 C ATOM 0 H LEU A 22 10.206 8.964 -3.693 1.00 0.00 H new ATOM 0 HA LEU A 22 10.007 6.524 -2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.732 7.705 -4.414 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.757 6.622 -5.334 1.00 0.00 H new ATOM 0 HG LEU A 22 7.544 5.656 -4.911 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.276 3.481 -4.009 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.452 4.149 -5.166 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.775 4.237 -3.418 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.892 4.975 -2.630 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.331 5.797 -1.981 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.049 6.742 -2.775 1.00 0.00 H new ATOM 341 N PRO A 23 12.361 6.516 -4.742 1.00 0.00 N ATOM 342 CA PRO A 23 13.567 5.803 -5.180 1.00 0.00 C ATOM 343 C PRO A 23 14.704 5.944 -4.174 1.00 0.00 C ATOM 344 O PRO A 23 15.654 5.163 -4.174 1.00 0.00 O ATOM 345 CB PRO A 23 13.930 6.488 -6.499 1.00 0.00 C ATOM 346 CG PRO A 23 13.347 7.853 -6.390 1.00 0.00 C ATOM 347 CD PRO A 23 12.090 7.703 -5.580 1.00 0.00 C ATOM 0 HA PRO A 23 13.398 4.731 -5.280 1.00 0.00 H new ATOM 0 HB2 PRO A 23 15.010 6.529 -6.640 1.00 0.00 H new ATOM 0 HB3 PRO A 23 13.518 5.948 -7.352 1.00 0.00 H new ATOM 0 HG2 PRO A 23 14.044 8.537 -5.906 1.00 0.00 H new ATOM 0 HG3 PRO A 23 13.129 8.264 -7.376 1.00 0.00 H new ATOM 0 HD2 PRO A 23 11.895 8.587 -4.973 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.217 7.555 -6.216 1.00 0.00 H new ATOM 355 N THR A 24 14.605 6.959 -3.327 1.00 0.00 N ATOM 356 CA THR A 24 15.616 7.216 -2.310 1.00 0.00 C ATOM 357 C THR A 24 15.490 6.248 -1.133 1.00 0.00 C ATOM 358 O THR A 24 16.494 5.827 -0.557 1.00 0.00 O ATOM 359 CB THR A 24 15.525 8.667 -1.794 1.00 0.00 C ATOM 360 OG1 THR A 24 16.173 9.554 -2.712 1.00 0.00 O ATOM 361 CG2 THR A 24 16.155 8.813 -0.417 1.00 0.00 C ATOM 0 H THR A 24 13.830 7.622 -3.324 1.00 0.00 H new ATOM 0 HA THR A 24 16.587 7.064 -2.782 1.00 0.00 H new ATOM 0 HB THR A 24 14.469 8.924 -1.713 1.00 0.00 H new ATOM 0 HG1 THR A 24 15.519 9.890 -3.360 1.00 0.00 H new ATOM 0 HG21 THR A 24 16.072 9.848 -0.087 1.00 0.00 H new ATOM 0 HG22 THR A 24 15.638 8.164 0.290 1.00 0.00 H new ATOM 0 HG23 THR A 24 17.207 8.531 -0.466 1.00 0.00 H new ATOM 369 N TYR A 25 14.259 5.894 -0.784 1.00 0.00 N ATOM 370 CA TYR A 25 14.022 4.986 0.336 1.00 0.00 C ATOM 371 C TYR A 25 13.707 3.573 -0.147 1.00 0.00 C ATOM 372 O TYR A 25 13.864 2.604 0.596 1.00 0.00 O ATOM 373 CB TYR A 25 12.871 5.504 1.199 1.00 0.00 C ATOM 374 CG TYR A 25 12.936 5.040 2.638 1.00 0.00 C ATOM 375 CD1 TYR A 25 12.576 3.745 2.989 1.00 0.00 C ATOM 376 CD2 TYR A 25 13.362 5.897 3.644 1.00 0.00 C ATOM 377 CE1 TYR A 25 12.637 3.318 4.302 1.00 0.00 C ATOM 378 CE2 TYR A 25 13.428 5.477 4.959 1.00 0.00 C ATOM 379 CZ TYR A 25 13.064 4.187 5.283 1.00 0.00 C ATOM 380 OH TYR A 25 13.128 3.765 6.591 1.00 0.00 O ATOM 0 H TYR A 25 13.414 6.218 -1.255 1.00 0.00 H new ATOM 0 HA TYR A 25 14.935 4.947 0.930 1.00 0.00 H new ATOM 0 HB2 TYR A 25 12.873 6.594 1.177 1.00 0.00 H new ATOM 0 HB3 TYR A 25 11.926 5.178 0.763 1.00 0.00 H new ATOM 0 HD1 TYR A 25 12.243 3.060 2.223 1.00 0.00 H new ATOM 0 HD2 TYR A 25 13.646 6.909 3.395 1.00 0.00 H new ATOM 0 HE1 TYR A 25 12.352 2.308 4.558 1.00 0.00 H new ATOM 0 HE2 TYR A 25 13.763 6.156 5.729 1.00 0.00 H new ATOM 0 HH TYR A 25 13.450 4.498 7.156 1.00 0.00 H new ATOM 390 N PHE A 26 13.274 3.460 -1.396 1.00 0.00 N ATOM 391 CA PHE A 26 12.927 2.166 -1.970 1.00 0.00 C ATOM 392 C PHE A 26 13.978 1.730 -2.981 1.00 0.00 C ATOM 393 O PHE A 26 14.356 0.559 -3.040 1.00 0.00 O ATOM 394 CB PHE A 26 11.556 2.247 -2.645 1.00 0.00 C ATOM 395 CG PHE A 26 10.786 0.953 -2.641 1.00 0.00 C ATOM 396 CD1 PHE A 26 11.010 -0.009 -1.666 1.00 0.00 C ATOM 397 CD2 PHE A 26 9.832 0.702 -3.614 1.00 0.00 C ATOM 398 CE1 PHE A 26 10.299 -1.193 -1.665 1.00 0.00 C ATOM 399 CE2 PHE A 26 9.118 -0.481 -3.617 1.00 0.00 C ATOM 400 CZ PHE A 26 9.352 -1.430 -2.642 1.00 0.00 C ATOM 0 H PHE A 26 13.155 4.249 -2.031 1.00 0.00 H new ATOM 0 HA PHE A 26 12.890 1.429 -1.168 1.00 0.00 H new ATOM 0 HB2 PHE A 26 10.962 3.011 -2.144 1.00 0.00 H new ATOM 0 HB3 PHE A 26 11.690 2.573 -3.676 1.00 0.00 H new ATOM 0 HD1 PHE A 26 11.749 0.170 -0.899 1.00 0.00 H new ATOM 0 HD2 PHE A 26 9.644 1.440 -4.380 1.00 0.00 H new ATOM 0 HE1 PHE A 26 10.483 -1.933 -0.901 1.00 0.00 H new ATOM 0 HE2 PHE A 26 8.377 -0.663 -4.382 1.00 0.00 H new ATOM 0 HZ PHE A 26 8.796 -2.356 -2.643 1.00 0.00 H new ATOM 410 N GLY A 27 14.445 2.685 -3.774 1.00 0.00 N ATOM 411 CA GLY A 27 15.448 2.398 -4.779 1.00 0.00 C ATOM 412 C GLY A 27 15.107 3.019 -6.120 1.00 0.00 C ATOM 413 O GLY A 27 13.939 3.046 -6.509 1.00 0.00 O ATOM 0 H GLY A 27 14.144 3.659 -3.738 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.415 2.772 -4.442 1.00 0.00 H new ATOM 0 HA3 GLY A 27 15.546 1.319 -4.894 1.00 0.00 H new ATOM 417 N PRO A 28 16.110 3.531 -6.855 1.00 0.00 N ATOM 418 CA PRO A 28 15.886 4.158 -8.160 1.00 0.00 C ATOM 419 C PRO A 28 15.260 3.198 -9.159 1.00 0.00 C ATOM 420 O PRO A 28 14.796 3.610 -10.223 1.00 0.00 O ATOM 421 CB PRO A 28 17.290 4.573 -8.616 1.00 0.00 C ATOM 422 CG PRO A 28 18.225 3.750 -7.798 1.00 0.00 C ATOM 423 CD PRO A 28 17.535 3.530 -6.483 1.00 0.00 C ATOM 0 HA PRO A 28 15.190 4.994 -8.092 1.00 0.00 H new ATOM 0 HB2 PRO A 28 17.430 4.386 -9.681 1.00 0.00 H new ATOM 0 HB3 PRO A 28 17.458 5.638 -8.454 1.00 0.00 H new ATOM 0 HG2 PRO A 28 18.442 2.801 -8.289 1.00 0.00 H new ATOM 0 HG3 PRO A 28 19.177 4.262 -7.659 1.00 0.00 H new ATOM 0 HD2 PRO A 28 17.832 2.587 -6.024 1.00 0.00 H new ATOM 0 HD3 PRO A 28 17.767 4.320 -5.768 1.00 0.00 H new ATOM 431 N ARG A 29 15.261 1.915 -8.819 1.00 0.00 N ATOM 432 CA ARG A 29 14.679 0.905 -9.686 1.00 0.00 C ATOM 433 C ARG A 29 13.319 0.459 -9.171 1.00 0.00 C ATOM 434 O ARG A 29 12.363 0.352 -9.940 1.00 0.00 O ATOM 435 CB ARG A 29 15.609 -0.302 -9.816 1.00 0.00 C ATOM 436 CG ARG A 29 16.176 -0.474 -11.216 1.00 0.00 C ATOM 437 CD ARG A 29 15.072 -0.518 -12.263 1.00 0.00 C ATOM 438 NE ARG A 29 14.321 -1.770 -12.219 1.00 0.00 N ATOM 439 CZ ARG A 29 14.643 -2.847 -12.930 1.00 0.00 C ATOM 440 NH1 ARG A 29 15.709 -2.829 -13.719 1.00 0.00 N ATOM 441 NH2 ARG A 29 13.901 -3.943 -12.850 1.00 0.00 N ATOM 0 H ARG A 29 15.657 1.553 -7.952 1.00 0.00 H new ATOM 0 HA ARG A 29 14.546 1.353 -10.671 1.00 0.00 H new ATOM 0 HB2 ARG A 29 16.431 -0.196 -9.108 1.00 0.00 H new ATOM 0 HB3 ARG A 29 15.064 -1.204 -9.539 1.00 0.00 H new ATOM 0 HG2 ARG A 29 16.857 0.348 -11.438 1.00 0.00 H new ATOM 0 HG3 ARG A 29 16.760 -1.393 -11.263 1.00 0.00 H new ATOM 0 HD2 ARG A 29 14.391 0.318 -12.106 1.00 0.00 H new ATOM 0 HD3 ARG A 29 15.508 -0.392 -13.254 1.00 0.00 H new ATOM 0 HE ARG A 29 13.505 -1.821 -11.610 1.00 0.00 H new ATOM 0 HH11 ARG A 29 16.283 -1.988 -13.781 1.00 0.00 H new ATOM 0 HH12 ARG A 29 15.954 -3.656 -14.264 1.00 0.00 H new ATOM 0 HH21 ARG A 29 13.082 -3.961 -12.243 1.00 0.00 H new ATOM 0 HH22 ARG A 29 14.149 -4.768 -13.396 1.00 0.00 H new ATOM 455 N LEU A 30 13.228 0.194 -7.870 1.00 0.00 N ATOM 456 CA LEU A 30 11.981 -0.247 -7.265 1.00 0.00 C ATOM 457 C LEU A 30 10.878 0.785 -7.455 1.00 0.00 C ATOM 458 O LEU A 30 9.708 0.431 -7.542 1.00 0.00 O ATOM 459 CB LEU A 30 12.191 -0.519 -5.772 1.00 0.00 C ATOM 460 CG LEU A 30 12.864 -1.856 -5.440 1.00 0.00 C ATOM 461 CD1 LEU A 30 14.262 -1.923 -6.042 1.00 0.00 C ATOM 462 CD2 LEU A 30 12.921 -2.062 -3.934 1.00 0.00 C ATOM 0 H LEU A 30 14.006 0.278 -7.216 1.00 0.00 H new ATOM 0 HA LEU A 30 11.672 -1.167 -7.762 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.794 0.287 -5.354 1.00 0.00 H new ATOM 0 HB3 LEU A 30 11.223 -0.484 -5.273 1.00 0.00 H new ATOM 0 HG LEU A 30 12.267 -2.657 -5.877 1.00 0.00 H new ATOM 0 HD11 LEU A 30 14.720 -2.880 -5.793 1.00 0.00 H new ATOM 0 HD12 LEU A 30 14.197 -1.823 -7.125 1.00 0.00 H new ATOM 0 HD13 LEU A 30 14.871 -1.114 -5.639 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.402 -3.016 -3.715 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.493 -1.254 -3.478 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.909 -2.064 -3.529 1.00 0.00 H new ATOM 474 N MET A 31 11.257 2.060 -7.491 1.00 0.00 N ATOM 475 CA MET A 31 10.299 3.147 -7.680 1.00 0.00 C ATOM 476 C MET A 31 9.177 2.770 -8.645 1.00 0.00 C ATOM 477 O MET A 31 8.034 3.191 -8.472 1.00 0.00 O ATOM 478 CB MET A 31 11.021 4.392 -8.187 1.00 0.00 C ATOM 479 CG MET A 31 12.035 4.090 -9.278 1.00 0.00 C ATOM 480 SD MET A 31 11.859 5.166 -10.714 1.00 0.00 S ATOM 481 CE MET A 31 12.307 6.750 -10.006 1.00 0.00 C ATOM 0 H MET A 31 12.225 2.367 -7.391 1.00 0.00 H new ATOM 0 HA MET A 31 9.842 3.350 -6.712 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.286 5.101 -8.568 1.00 0.00 H new ATOM 0 HB3 MET A 31 11.528 4.876 -7.352 1.00 0.00 H new ATOM 0 HG2 MET A 31 13.041 4.196 -8.872 1.00 0.00 H new ATOM 0 HG3 MET A 31 11.925 3.052 -9.592 1.00 0.00 H new ATOM 0 HE1 MET A 31 12.264 7.519 -10.778 1.00 0.00 H new ATOM 0 HE2 MET A 31 11.611 7.000 -9.205 1.00 0.00 H new ATOM 0 HE3 MET A 31 13.319 6.696 -9.604 1.00 0.00 H new ATOM 491 N MET A 32 9.507 1.980 -9.659 1.00 0.00 N ATOM 492 CA MET A 32 8.523 1.549 -10.643 1.00 0.00 C ATOM 493 C MET A 32 8.042 0.136 -10.333 1.00 0.00 C ATOM 494 O MET A 32 6.882 -0.203 -10.567 1.00 0.00 O ATOM 495 CB MET A 32 9.119 1.608 -12.051 1.00 0.00 C ATOM 496 CG MET A 32 10.278 0.647 -12.264 1.00 0.00 C ATOM 497 SD MET A 32 11.124 0.913 -13.833 1.00 0.00 S ATOM 498 CE MET A 32 9.766 0.748 -14.988 1.00 0.00 C ATOM 0 H MET A 32 10.449 1.625 -9.821 1.00 0.00 H new ATOM 0 HA MET A 32 7.669 2.224 -10.596 1.00 0.00 H new ATOM 0 HB2 MET A 32 8.337 1.386 -12.777 1.00 0.00 H new ATOM 0 HB3 MET A 32 9.460 2.624 -12.250 1.00 0.00 H new ATOM 0 HG2 MET A 32 10.992 0.759 -11.448 1.00 0.00 H new ATOM 0 HG3 MET A 32 9.907 -0.377 -12.225 1.00 0.00 H new ATOM 0 HE1 MET A 32 10.160 0.621 -15.996 1.00 0.00 H new ATOM 0 HE2 MET A 32 9.165 -0.121 -14.721 1.00 0.00 H new ATOM 0 HE3 MET A 32 9.146 1.644 -14.951 1.00 0.00 H new ATOM 508 N ARG A 33 8.946 -0.683 -9.805 1.00 0.00 N ATOM 509 CA ARG A 33 8.624 -2.061 -9.456 1.00 0.00 C ATOM 510 C ARG A 33 7.648 -2.120 -8.283 1.00 0.00 C ATOM 511 O ARG A 33 7.015 -3.149 -8.044 1.00 0.00 O ATOM 512 CB ARG A 33 9.901 -2.829 -9.104 1.00 0.00 C ATOM 513 CG ARG A 33 10.938 -2.826 -10.215 1.00 0.00 C ATOM 514 CD ARG A 33 12.212 -3.538 -9.789 1.00 0.00 C ATOM 515 NE ARG A 33 11.983 -4.951 -9.503 1.00 0.00 N ATOM 516 CZ ARG A 33 12.926 -5.778 -9.061 1.00 0.00 C ATOM 517 NH1 ARG A 33 14.157 -5.330 -8.848 1.00 0.00 N ATOM 518 NH2 ARG A 33 12.640 -7.051 -8.829 1.00 0.00 N ATOM 0 H ARG A 33 9.910 -0.414 -9.609 1.00 0.00 H new ATOM 0 HA ARG A 33 8.150 -2.523 -10.322 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.341 -2.394 -8.207 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.641 -3.860 -8.864 1.00 0.00 H new ATOM 0 HG2 ARG A 33 10.527 -3.312 -11.100 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.170 -1.798 -10.495 1.00 0.00 H new ATOM 0 HD2 ARG A 33 12.959 -3.445 -10.577 1.00 0.00 H new ATOM 0 HD3 ARG A 33 12.620 -3.051 -8.903 1.00 0.00 H new ATOM 0 HE ARG A 33 11.046 -5.326 -9.651 1.00 0.00 H new ATOM 0 HH11 ARG A 33 14.381 -4.350 -9.023 1.00 0.00 H new ATOM 0 HH12 ARG A 33 14.879 -5.965 -8.509 1.00 0.00 H new ATOM 0 HH21 ARG A 33 11.695 -7.399 -8.989 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.365 -7.683 -8.490 1.00 0.00 H new ATOM 532 N GLY A 34 7.529 -1.014 -7.553 1.00 0.00 N ATOM 533 CA GLY A 34 6.635 -0.971 -6.411 1.00 0.00 C ATOM 534 C GLY A 34 5.418 -0.101 -6.654 1.00 0.00 C ATOM 535 O GLY A 34 4.304 -0.465 -6.278 1.00 0.00 O ATOM 0 H GLY A 34 8.036 -0.147 -7.733 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.311 -1.983 -6.170 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.178 -0.595 -5.544 1.00 0.00 H new ATOM 539 N GLU A 35 5.628 1.048 -7.288 1.00 0.00 N ATOM 540 CA GLU A 35 4.536 1.971 -7.578 1.00 0.00 C ATOM 541 C GLU A 35 3.472 1.289 -8.427 1.00 0.00 C ATOM 542 O GLU A 35 2.274 1.445 -8.189 1.00 0.00 O ATOM 543 CB GLU A 35 5.062 3.208 -8.308 1.00 0.00 C ATOM 544 CG GLU A 35 3.971 4.176 -8.729 1.00 0.00 C ATOM 545 CD GLU A 35 4.479 5.260 -9.659 1.00 0.00 C ATOM 546 OE1 GLU A 35 4.532 5.015 -10.883 1.00 0.00 O ATOM 547 OE2 GLU A 35 4.824 6.354 -9.165 1.00 0.00 O ATOM 0 H GLU A 35 6.543 1.362 -7.611 1.00 0.00 H new ATOM 0 HA GLU A 35 4.091 2.279 -6.632 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.768 3.729 -7.661 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.615 2.890 -9.192 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.172 3.624 -9.223 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.538 4.638 -7.842 1.00 0.00 H new ATOM 554 N ALA A 36 3.922 0.533 -9.422 1.00 0.00 N ATOM 555 CA ALA A 36 3.016 -0.174 -10.316 1.00 0.00 C ATOM 556 C ALA A 36 2.402 -1.394 -9.635 1.00 0.00 C ATOM 557 O ALA A 36 1.329 -1.854 -10.025 1.00 0.00 O ATOM 558 CB ALA A 36 3.747 -0.589 -11.584 1.00 0.00 C ATOM 0 H ALA A 36 4.911 0.395 -9.629 1.00 0.00 H new ATOM 0 HA ALA A 36 2.205 0.505 -10.579 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.059 -1.117 -12.244 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.128 0.297 -12.091 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.578 -1.245 -11.327 1.00 0.00 H new ATOM 564 N LEU A 37 3.083 -1.917 -8.620 1.00 0.00 N ATOM 565 CA LEU A 37 2.601 -3.094 -7.901 1.00 0.00 C ATOM 566 C LEU A 37 1.493 -2.749 -6.907 1.00 0.00 C ATOM 567 O LEU A 37 0.577 -3.541 -6.696 1.00 0.00 O ATOM 568 CB LEU A 37 3.754 -3.771 -7.163 1.00 0.00 C ATOM 569 CG LEU A 37 3.996 -5.230 -7.541 1.00 0.00 C ATOM 570 CD1 LEU A 37 4.762 -5.315 -8.847 1.00 0.00 C ATOM 571 CD2 LEU A 37 4.752 -5.943 -6.436 1.00 0.00 C ATOM 0 H LEU A 37 3.969 -1.546 -8.276 1.00 0.00 H new ATOM 0 HA LEU A 37 2.185 -3.775 -8.644 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.667 -3.207 -7.352 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.561 -3.716 -6.092 1.00 0.00 H new ATOM 0 HG LEU A 37 3.031 -5.720 -7.672 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.928 -6.361 -9.104 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.187 -4.833 -9.638 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.723 -4.812 -8.739 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.917 -6.982 -6.720 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.713 -5.453 -6.278 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.170 -5.907 -5.515 1.00 0.00 H new ATOM 583 N VAL A 38 1.574 -1.570 -6.301 1.00 0.00 N ATOM 584 CA VAL A 38 0.572 -1.158 -5.325 1.00 0.00 C ATOM 585 C VAL A 38 -0.746 -0.836 -6.014 1.00 0.00 C ATOM 586 O VAL A 38 -1.821 -1.167 -5.514 1.00 0.00 O ATOM 587 CB VAL A 38 1.037 0.056 -4.500 1.00 0.00 C ATOM 588 CG1 VAL A 38 2.424 -0.191 -3.939 1.00 0.00 C ATOM 589 CG2 VAL A 38 1.021 1.324 -5.334 1.00 0.00 C ATOM 0 H VAL A 38 2.315 -0.889 -6.466 1.00 0.00 H new ATOM 0 HA VAL A 38 0.429 -1.995 -4.641 1.00 0.00 H new ATOM 0 HB VAL A 38 0.340 0.190 -3.672 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.741 0.675 -3.358 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.405 -1.072 -3.297 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.124 -0.354 -4.758 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.354 2.164 -4.725 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.689 1.207 -6.187 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.008 1.513 -5.690 1.00 0.00 H new ATOM 599 N TYR A 39 -0.653 -0.191 -7.169 1.00 0.00 N ATOM 600 CA TYR A 39 -1.831 0.169 -7.942 1.00 0.00 C ATOM 601 C TYR A 39 -2.349 -1.036 -8.726 1.00 0.00 C ATOM 602 O TYR A 39 -3.522 -1.092 -9.095 1.00 0.00 O ATOM 603 CB TYR A 39 -1.502 1.333 -8.885 1.00 0.00 C ATOM 604 CG TYR A 39 -1.524 0.972 -10.354 1.00 0.00 C ATOM 605 CD1 TYR A 39 -0.405 0.431 -10.970 1.00 0.00 C ATOM 606 CD2 TYR A 39 -2.664 1.174 -11.122 1.00 0.00 C ATOM 607 CE1 TYR A 39 -0.418 0.100 -12.312 1.00 0.00 C ATOM 608 CE2 TYR A 39 -2.686 0.845 -12.464 1.00 0.00 C ATOM 609 CZ TYR A 39 -1.562 0.309 -13.054 1.00 0.00 C ATOM 610 OH TYR A 39 -1.580 -0.019 -14.390 1.00 0.00 O ATOM 0 H TYR A 39 0.231 0.094 -7.592 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.618 0.487 -7.258 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.215 2.139 -8.711 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.515 1.721 -8.633 1.00 0.00 H new ATOM 0 HD1 TYR A 39 0.492 0.266 -10.391 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.547 1.595 -10.663 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.462 -0.320 -12.777 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -3.580 1.007 -13.048 1.00 0.00 H new ATOM 0 HH TYR A 39 -2.461 0.189 -14.766 1.00 0.00 H new ATOM 620 N ALA A 40 -1.463 -1.999 -8.977 1.00 0.00 N ATOM 621 CA ALA A 40 -1.828 -3.204 -9.714 1.00 0.00 C ATOM 622 C ALA A 40 -2.900 -3.995 -8.976 1.00 0.00 C ATOM 623 O ALA A 40 -3.835 -4.513 -9.586 1.00 0.00 O ATOM 624 CB ALA A 40 -0.601 -4.073 -9.949 1.00 0.00 C ATOM 0 H ALA A 40 -0.488 -1.966 -8.680 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.235 -2.899 -10.678 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.889 -4.968 -10.500 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.136 -3.514 -10.525 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.170 -4.360 -8.990 1.00 0.00 H new ATOM 630 N TRP A 41 -2.756 -4.084 -7.658 1.00 0.00 N ATOM 631 CA TRP A 41 -3.716 -4.808 -6.834 1.00 0.00 C ATOM 632 C TRP A 41 -4.966 -3.967 -6.606 1.00 0.00 C ATOM 633 O TRP A 41 -6.056 -4.497 -6.403 1.00 0.00 O ATOM 634 CB TRP A 41 -3.090 -5.179 -5.486 1.00 0.00 C ATOM 635 CG TRP A 41 -2.048 -6.251 -5.579 1.00 0.00 C ATOM 636 CD1 TRP A 41 -0.695 -6.077 -5.642 1.00 0.00 C ATOM 637 CD2 TRP A 41 -2.273 -7.666 -5.616 1.00 0.00 C ATOM 638 NE1 TRP A 41 -0.066 -7.295 -5.715 1.00 0.00 N ATOM 639 CE2 TRP A 41 -1.012 -8.286 -5.703 1.00 0.00 C ATOM 640 CE3 TRP A 41 -3.417 -8.467 -5.586 1.00 0.00 C ATOM 641 CZ2 TRP A 41 -0.865 -9.670 -5.756 1.00 0.00 C ATOM 642 CZ3 TRP A 41 -3.270 -9.841 -5.640 1.00 0.00 C ATOM 643 CH2 TRP A 41 -2.002 -10.430 -5.724 1.00 0.00 C ATOM 0 H TRP A 41 -1.985 -3.664 -7.139 1.00 0.00 H new ATOM 0 HA TRP A 41 -3.996 -5.721 -7.360 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -2.643 -4.288 -5.046 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.878 -5.508 -4.808 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -0.193 -5.121 -5.635 1.00 0.00 H new ATOM 0 HE1 TRP A 41 0.942 -7.439 -5.769 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.399 -8.021 -5.522 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 0.112 -10.127 -5.820 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -4.147 -10.470 -5.617 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -1.920 -11.506 -5.764 1.00 0.00 H new ATOM 654 N MET A 42 -4.795 -2.650 -6.649 1.00 0.00 N ATOM 655 CA MET A 42 -5.895 -1.721 -6.436 1.00 0.00 C ATOM 656 C MET A 42 -6.918 -1.773 -7.570 1.00 0.00 C ATOM 657 O MET A 42 -8.123 -1.821 -7.325 1.00 0.00 O ATOM 658 CB MET A 42 -5.347 -0.303 -6.295 1.00 0.00 C ATOM 659 CG MET A 42 -6.308 0.649 -5.615 1.00 0.00 C ATOM 660 SD MET A 42 -6.906 0.010 -4.041 1.00 0.00 S ATOM 661 CE MET A 42 -7.852 1.410 -3.459 1.00 0.00 C ATOM 0 H MET A 42 -3.897 -2.201 -6.831 1.00 0.00 H new ATOM 0 HA MET A 42 -6.407 -2.016 -5.520 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.417 -0.336 -5.727 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.103 0.084 -7.284 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.813 1.606 -5.451 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.156 0.838 -6.274 1.00 0.00 H new ATOM 0 HE1 MET A 42 -7.537 1.667 -2.448 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.685 2.262 -4.118 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.912 1.157 -3.456 1.00 0.00 H new ATOM 671 N ARG A 43 -6.435 -1.764 -8.809 1.00 0.00 N ATOM 672 CA ARG A 43 -7.315 -1.793 -9.973 1.00 0.00 C ATOM 673 C ARG A 43 -8.049 -3.124 -10.078 1.00 0.00 C ATOM 674 O ARG A 43 -9.076 -3.226 -10.747 1.00 0.00 O ATOM 675 CB ARG A 43 -6.518 -1.534 -11.252 1.00 0.00 C ATOM 676 CG ARG A 43 -5.347 -2.481 -11.444 1.00 0.00 C ATOM 677 CD ARG A 43 -4.632 -2.215 -12.757 1.00 0.00 C ATOM 678 NE ARG A 43 -5.517 -2.394 -13.905 1.00 0.00 N ATOM 679 CZ ARG A 43 -5.086 -2.671 -15.132 1.00 0.00 C ATOM 680 NH1 ARG A 43 -3.788 -2.807 -15.370 1.00 0.00 N ATOM 681 NH2 ARG A 43 -5.955 -2.816 -16.123 1.00 0.00 N ATOM 0 H ARG A 43 -5.440 -1.737 -9.033 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.056 -1.003 -9.849 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -7.186 -1.618 -12.109 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.146 -0.509 -11.237 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.646 -2.369 -10.617 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.702 -3.511 -11.423 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.239 -1.198 -12.757 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.779 -2.887 -12.848 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.522 -2.301 -13.757 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.116 -2.699 -14.610 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.462 -3.020 -16.313 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.954 -2.715 -15.944 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -5.624 -3.028 -17.064 1.00 0.00 H new ATOM 695 N ARG A 44 -7.513 -4.144 -9.420 1.00 0.00 N ATOM 696 CA ARG A 44 -8.126 -5.466 -9.435 1.00 0.00 C ATOM 697 C ARG A 44 -9.345 -5.498 -8.518 1.00 0.00 C ATOM 698 O ARG A 44 -10.437 -5.895 -8.927 1.00 0.00 O ATOM 699 CB ARG A 44 -7.107 -6.524 -9.004 1.00 0.00 C ATOM 700 CG ARG A 44 -6.035 -6.793 -10.048 1.00 0.00 C ATOM 701 CD ARG A 44 -5.008 -7.799 -9.553 1.00 0.00 C ATOM 702 NE ARG A 44 -3.996 -8.090 -10.564 1.00 0.00 N ATOM 703 CZ ARG A 44 -2.881 -8.772 -10.320 1.00 0.00 C ATOM 704 NH1 ARG A 44 -2.634 -9.233 -9.101 1.00 0.00 N ATOM 705 NH2 ARG A 44 -2.011 -8.996 -11.296 1.00 0.00 N ATOM 0 H ARG A 44 -6.656 -4.082 -8.870 1.00 0.00 H new ATOM 0 HA ARG A 44 -8.453 -5.688 -10.451 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -6.629 -6.202 -8.079 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.631 -7.454 -8.785 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.501 -7.167 -10.960 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.535 -5.859 -10.305 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.524 -7.412 -8.657 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.513 -8.722 -9.269 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.153 -7.750 -11.513 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.300 -9.065 -8.347 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.778 -9.756 -8.917 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.197 -8.645 -12.235 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.156 -9.519 -11.107 1.00 0.00 H new ATOM 719 N LEU A 45 -9.140 -5.078 -7.274 1.00 0.00 N ATOM 720 CA LEU A 45 -10.206 -5.038 -6.277 1.00 0.00 C ATOM 721 C LEU A 45 -11.471 -4.356 -6.804 1.00 0.00 C ATOM 722 O LEU A 45 -12.557 -4.561 -6.265 1.00 0.00 O ATOM 723 CB LEU A 45 -9.730 -4.309 -5.026 1.00 0.00 C ATOM 724 CG LEU A 45 -8.382 -4.774 -4.470 1.00 0.00 C ATOM 725 CD1 LEU A 45 -7.938 -3.874 -3.329 1.00 0.00 C ATOM 726 CD2 LEU A 45 -8.465 -6.220 -4.007 1.00 0.00 C ATOM 0 H LEU A 45 -8.235 -4.757 -6.929 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.455 -6.072 -6.039 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.664 -3.244 -5.249 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.485 -4.426 -4.248 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.641 -4.711 -5.267 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.978 -4.219 -2.946 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.838 -2.851 -3.691 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.680 -3.906 -2.531 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.497 -6.533 -3.615 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.219 -6.309 -3.225 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.738 -6.856 -4.849 1.00 0.00 H new ATOM 738 N CYS A 46 -11.332 -3.547 -7.847 1.00 0.00 N ATOM 739 CA CYS A 46 -12.478 -2.848 -8.428 1.00 0.00 C ATOM 740 C CYS A 46 -12.427 -2.886 -9.952 1.00 0.00 C ATOM 741 O CYS A 46 -11.481 -2.392 -10.563 1.00 0.00 O ATOM 742 CB CYS A 46 -12.520 -1.394 -7.956 1.00 0.00 C ATOM 743 SG CYS A 46 -13.925 -0.452 -8.594 1.00 0.00 S ATOM 0 H CYS A 46 -10.442 -3.357 -8.308 1.00 0.00 H new ATOM 0 HA CYS A 46 -13.380 -3.360 -8.093 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -12.550 -1.377 -6.867 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -11.597 -0.899 -8.257 1.00 0.00 H new ATOM 0 HG CYS A 46 -14.831 -0.343 -7.668 1.00 0.00 H new ATOM 749 N GLU A 47 -13.455 -3.469 -10.562 1.00 0.00 N ATOM 750 CA GLU A 47 -13.527 -3.564 -12.015 1.00 0.00 C ATOM 751 C GLU A 47 -13.658 -2.175 -12.629 1.00 0.00 C ATOM 752 O GLU A 47 -13.273 -1.949 -13.776 1.00 0.00 O ATOM 753 CB GLU A 47 -14.709 -4.440 -12.436 1.00 0.00 C ATOM 754 CG GLU A 47 -16.052 -3.931 -11.937 1.00 0.00 C ATOM 755 CD GLU A 47 -17.199 -4.850 -12.312 1.00 0.00 C ATOM 756 OE1 GLU A 47 -17.771 -4.669 -13.407 1.00 0.00 O ATOM 757 OE2 GLU A 47 -17.524 -5.751 -11.510 1.00 0.00 O ATOM 0 H GLU A 47 -14.249 -3.882 -10.072 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.607 -4.023 -12.377 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -14.735 -4.502 -13.524 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.552 -5.452 -12.062 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -16.016 -3.824 -10.853 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -16.236 -2.939 -12.349 1.00 0.00 H new ATOM 764 N ARG A 48 -14.206 -1.251 -11.847 1.00 0.00 N ATOM 765 CA ARG A 48 -14.386 0.124 -12.292 1.00 0.00 C ATOM 766 C ARG A 48 -13.321 1.018 -11.669 1.00 0.00 C ATOM 767 O ARG A 48 -13.618 2.107 -11.175 1.00 0.00 O ATOM 768 CB ARG A 48 -15.781 0.628 -11.915 1.00 0.00 C ATOM 769 CG ARG A 48 -16.913 -0.191 -12.515 1.00 0.00 C ATOM 770 CD ARG A 48 -16.931 -0.097 -14.032 1.00 0.00 C ATOM 771 NE ARG A 48 -18.040 -0.848 -14.614 1.00 0.00 N ATOM 772 CZ ARG A 48 -18.155 -1.110 -15.912 1.00 0.00 C ATOM 773 NH1 ARG A 48 -17.230 -0.684 -16.763 1.00 0.00 N ATOM 774 NH2 ARG A 48 -19.196 -1.797 -16.362 1.00 0.00 N ATOM 0 H ARG A 48 -14.534 -1.432 -10.898 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.286 0.156 -13.377 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -15.878 0.623 -10.829 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.883 1.664 -12.239 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -16.806 -1.234 -12.216 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -17.866 0.158 -12.117 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -17.006 0.949 -14.329 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -15.989 -0.475 -14.430 1.00 0.00 H new ATOM 0 HE ARG A 48 -18.769 -1.191 -13.988 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -16.428 -0.154 -16.421 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -17.321 -0.887 -17.759 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -19.910 -2.125 -15.712 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -19.283 -1.997 -17.358 1.00 0.00 H new ATOM 788 N TYR A 49 -12.076 0.553 -11.705 1.00 0.00 N ATOM 789 CA TYR A 49 -10.964 1.298 -11.135 1.00 0.00 C ATOM 790 C TYR A 49 -9.968 1.705 -12.217 1.00 0.00 C ATOM 791 O TYR A 49 -9.120 0.910 -12.623 1.00 0.00 O ATOM 792 CB TYR A 49 -10.257 0.454 -10.078 1.00 0.00 C ATOM 793 CG TYR A 49 -9.642 1.270 -8.969 1.00 0.00 C ATOM 794 CD1 TYR A 49 -8.693 2.244 -9.240 1.00 0.00 C ATOM 795 CD2 TYR A 49 -10.019 1.067 -7.652 1.00 0.00 C ATOM 796 CE1 TYR A 49 -8.133 2.995 -8.226 1.00 0.00 C ATOM 797 CE2 TYR A 49 -9.469 1.814 -6.631 1.00 0.00 C ATOM 798 CZ TYR A 49 -8.525 2.778 -6.922 1.00 0.00 C ATOM 799 OH TYR A 49 -7.973 3.526 -5.909 1.00 0.00 O ATOM 0 H TYR A 49 -11.814 -0.339 -12.125 1.00 0.00 H new ATOM 0 HA TYR A 49 -11.362 2.201 -10.673 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -10.971 -0.249 -9.648 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -9.478 -0.137 -10.558 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.387 2.418 -10.261 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -10.755 0.312 -7.421 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.392 3.748 -8.453 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.775 1.645 -5.609 1.00 0.00 H new ATOM 0 HH TYR A 49 -7.730 4.412 -6.251 1.00 0.00 H new ATOM 809 N ASN A 50 -10.080 2.943 -12.684 1.00 0.00 N ATOM 810 CA ASN A 50 -9.184 3.455 -13.716 1.00 0.00 C ATOM 811 C ASN A 50 -7.818 3.801 -13.129 1.00 0.00 C ATOM 812 O ASN A 50 -6.788 3.332 -13.612 1.00 0.00 O ATOM 813 CB ASN A 50 -9.795 4.689 -14.382 1.00 0.00 C ATOM 814 CG ASN A 50 -11.161 4.411 -14.982 1.00 0.00 C ATOM 815 OD1 ASN A 50 -11.372 3.179 -15.434 1.00 0.00 O flip ATOM 816 ND2 ASN A 50 -12.016 5.294 -15.041 1.00 0.00 N flip ATOM 0 H ASN A 50 -10.782 3.611 -12.365 1.00 0.00 H new ATOM 0 HA ASN A 50 -9.049 2.675 -14.466 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -9.881 5.489 -13.647 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.124 5.045 -15.164 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -11.812 6.227 -14.682 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -12.929 5.093 -15.449 1.00 0.00 H new ATOM 823 N GLY A 51 -7.819 4.627 -12.085 1.00 0.00 N ATOM 824 CA GLY A 51 -6.574 5.024 -11.449 1.00 0.00 C ATOM 825 C GLY A 51 -6.779 6.094 -10.394 1.00 0.00 C ATOM 826 O GLY A 51 -7.909 6.512 -10.139 1.00 0.00 O ATOM 0 H GLY A 51 -8.659 5.028 -11.669 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.108 4.151 -10.991 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.883 5.393 -12.207 1.00 0.00 H new ATOM 830 N ALA A 52 -5.685 6.541 -9.779 1.00 0.00 N ATOM 831 CA ALA A 52 -5.758 7.569 -8.746 1.00 0.00 C ATOM 832 C ALA A 52 -4.371 8.083 -8.375 1.00 0.00 C ATOM 833 O ALA A 52 -3.357 7.531 -8.805 1.00 0.00 O ATOM 834 CB ALA A 52 -6.465 7.027 -7.516 1.00 0.00 C ATOM 0 H ALA A 52 -4.742 6.208 -9.978 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.329 8.407 -9.145 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.513 7.803 -6.752 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.475 6.718 -7.784 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.914 6.170 -7.128 1.00 0.00 H new ATOM 840 N TYR A 53 -4.335 9.145 -7.574 1.00 0.00 N ATOM 841 CA TYR A 53 -3.075 9.736 -7.142 1.00 0.00 C ATOM 842 C TYR A 53 -2.572 9.090 -5.858 1.00 0.00 C ATOM 843 O TYR A 53 -2.950 9.489 -4.758 1.00 0.00 O ATOM 844 CB TYR A 53 -3.237 11.242 -6.943 1.00 0.00 C ATOM 845 CG TYR A 53 -3.192 12.026 -8.232 1.00 0.00 C ATOM 846 CD1 TYR A 53 -2.114 11.904 -9.099 1.00 0.00 C ATOM 847 CD2 TYR A 53 -4.227 12.881 -8.588 1.00 0.00 C ATOM 848 CE1 TYR A 53 -2.066 12.615 -10.282 1.00 0.00 C ATOM 849 CE2 TYR A 53 -4.187 13.596 -9.769 1.00 0.00 C ATOM 850 CZ TYR A 53 -3.105 13.460 -10.613 1.00 0.00 C ATOM 851 OH TYR A 53 -3.062 14.170 -11.791 1.00 0.00 O ATOM 0 H TYR A 53 -5.166 9.613 -7.212 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.336 9.556 -7.923 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -4.186 11.435 -6.442 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.449 11.600 -6.281 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.300 11.242 -8.844 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.077 12.989 -7.931 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -1.220 12.510 -10.944 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.999 14.258 -10.030 1.00 0.00 H new ATOM 0 HH TYR A 53 -3.871 14.717 -11.873 1.00 0.00 H new ATOM 861 N TRP A 54 -1.728 8.078 -6.013 1.00 0.00 N ATOM 862 CA TRP A 54 -1.161 7.361 -4.874 1.00 0.00 C ATOM 863 C TRP A 54 -0.120 8.214 -4.147 1.00 0.00 C ATOM 864 O TRP A 54 1.085 8.024 -4.317 1.00 0.00 O ATOM 865 CB TRP A 54 -0.531 6.046 -5.341 1.00 0.00 C ATOM 866 CG TRP A 54 -1.153 5.502 -6.594 1.00 0.00 C ATOM 867 CD1 TRP A 54 -2.417 5.002 -6.736 1.00 0.00 C ATOM 868 CD2 TRP A 54 -0.538 5.408 -7.885 1.00 0.00 C ATOM 869 NE1 TRP A 54 -2.623 4.602 -8.033 1.00 0.00 N ATOM 870 CE2 TRP A 54 -1.486 4.841 -8.758 1.00 0.00 C ATOM 871 CE3 TRP A 54 0.721 5.749 -8.386 1.00 0.00 C ATOM 872 CZ2 TRP A 54 -1.212 4.607 -10.104 1.00 0.00 C ATOM 873 CZ3 TRP A 54 0.990 5.517 -9.723 1.00 0.00 C ATOM 874 CH2 TRP A 54 0.027 4.952 -10.568 1.00 0.00 C ATOM 0 H TRP A 54 -1.418 7.732 -6.921 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.968 7.143 -4.175 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.534 6.202 -5.510 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.623 5.305 -4.547 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.147 4.932 -5.943 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.483 4.193 -8.398 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.470 6.185 -7.742 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.952 4.169 -10.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.960 5.776 -10.122 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.268 4.785 -11.608 1.00 0.00 H new ATOM 885 N HIS A 55 -0.604 9.163 -3.350 1.00 0.00 N ATOM 886 CA HIS A 55 0.263 10.054 -2.587 1.00 0.00 C ATOM 887 C HIS A 55 1.331 9.276 -1.836 1.00 0.00 C ATOM 888 O HIS A 55 1.055 8.231 -1.245 1.00 0.00 O ATOM 889 CB HIS A 55 -0.556 10.881 -1.595 1.00 0.00 C ATOM 890 CG HIS A 55 -1.543 11.797 -2.243 1.00 0.00 C ATOM 891 ND1 HIS A 55 -1.257 13.108 -2.563 1.00 0.00 N ATOM 892 CD2 HIS A 55 -2.823 11.587 -2.629 1.00 0.00 C ATOM 893 CE1 HIS A 55 -2.320 13.665 -3.116 1.00 0.00 C ATOM 894 NE2 HIS A 55 -3.282 12.764 -3.168 1.00 0.00 N ATOM 0 H HIS A 55 -1.600 9.335 -3.216 1.00 0.00 H new ATOM 0 HA HIS A 55 0.752 10.721 -3.297 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -1.087 10.205 -0.925 1.00 0.00 H new ATOM 0 HB3 HIS A 55 0.124 11.471 -0.980 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -0.365 13.574 -2.399 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -3.379 10.666 -2.531 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -2.389 14.684 -3.466 1.00 0.00 H new ATOM 903 N TYR A 56 2.551 9.793 -1.864 1.00 0.00 N ATOM 904 CA TYR A 56 3.662 9.151 -1.178 1.00 0.00 C ATOM 905 C TYR A 56 3.659 9.509 0.302 1.00 0.00 C ATOM 906 O TYR A 56 3.624 10.684 0.671 1.00 0.00 O ATOM 907 CB TYR A 56 4.995 9.552 -1.816 1.00 0.00 C ATOM 908 CG TYR A 56 5.211 8.977 -3.201 1.00 0.00 C ATOM 909 CD1 TYR A 56 4.665 7.751 -3.561 1.00 0.00 C ATOM 910 CD2 TYR A 56 5.965 9.660 -4.146 1.00 0.00 C ATOM 911 CE1 TYR A 56 4.865 7.222 -4.821 1.00 0.00 C ATOM 912 CE2 TYR A 56 6.169 9.139 -5.409 1.00 0.00 C ATOM 913 CZ TYR A 56 5.617 7.920 -5.742 1.00 0.00 C ATOM 914 OH TYR A 56 5.820 7.398 -6.998 1.00 0.00 O ATOM 0 H TYR A 56 2.796 10.654 -2.354 1.00 0.00 H new ATOM 0 HA TYR A 56 3.541 8.072 -1.274 1.00 0.00 H new ATOM 0 HB2 TYR A 56 5.047 10.639 -1.873 1.00 0.00 H new ATOM 0 HB3 TYR A 56 5.809 9.227 -1.168 1.00 0.00 H new ATOM 0 HD1 TYR A 56 4.074 7.202 -2.843 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.399 10.615 -3.889 1.00 0.00 H new ATOM 0 HE1 TYR A 56 4.435 6.267 -5.083 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.758 9.684 -6.132 1.00 0.00 H new ATOM 0 HH TYR A 56 4.955 7.196 -7.412 1.00 0.00 H new ATOM 924 N TYR A 57 3.697 8.485 1.146 1.00 0.00 N ATOM 925 CA TYR A 57 3.698 8.683 2.589 1.00 0.00 C ATOM 926 C TYR A 57 4.941 8.072 3.221 1.00 0.00 C ATOM 927 O TYR A 57 5.396 7.005 2.813 1.00 0.00 O ATOM 928 CB TYR A 57 2.439 8.084 3.215 1.00 0.00 C ATOM 929 CG TYR A 57 1.223 8.973 3.085 1.00 0.00 C ATOM 930 CD1 TYR A 57 0.979 9.981 4.009 1.00 0.00 C ATOM 931 CD2 TYR A 57 0.324 8.809 2.040 1.00 0.00 C ATOM 932 CE1 TYR A 57 -0.127 10.800 3.895 1.00 0.00 C ATOM 933 CE2 TYR A 57 -0.785 9.625 1.918 1.00 0.00 C ATOM 934 CZ TYR A 57 -1.006 10.619 2.848 1.00 0.00 C ATOM 935 OH TYR A 57 -2.109 11.434 2.732 1.00 0.00 O ATOM 0 H TYR A 57 3.728 7.508 0.855 1.00 0.00 H new ATOM 0 HA TYR A 57 3.707 9.756 2.781 1.00 0.00 H new ATOM 0 HB2 TYR A 57 2.230 7.123 2.744 1.00 0.00 H new ATOM 0 HB3 TYR A 57 2.625 7.888 4.271 1.00 0.00 H new ATOM 0 HD1 TYR A 57 1.665 10.127 4.830 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.494 8.031 1.310 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -0.303 11.579 4.622 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -1.475 9.485 1.099 1.00 0.00 H new ATOM 0 HH TYR A 57 -2.625 11.175 1.940 1.00 0.00 H new ATOM 945 N ALA A 58 5.487 8.761 4.218 1.00 0.00 N ATOM 946 CA ALA A 58 6.681 8.296 4.910 1.00 0.00 C ATOM 947 C ALA A 58 6.380 7.984 6.370 1.00 0.00 C ATOM 948 O ALA A 58 6.070 8.881 7.156 1.00 0.00 O ATOM 949 CB ALA A 58 7.789 9.334 4.808 1.00 0.00 C ATOM 0 H ALA A 58 5.119 9.647 4.565 1.00 0.00 H new ATOM 0 HA ALA A 58 7.015 7.377 4.429 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.675 8.973 5.330 1.00 0.00 H new ATOM 0 HB2 ALA A 58 8.031 9.506 3.759 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.456 10.267 5.262 1.00 0.00 H new ATOM 955 N LEU A 59 6.470 6.707 6.726 1.00 0.00 N ATOM 956 CA LEU A 59 6.207 6.270 8.091 1.00 0.00 C ATOM 957 C LEU A 59 7.474 6.329 8.939 1.00 0.00 C ATOM 958 O LEU A 59 8.583 6.163 8.431 1.00 0.00 O ATOM 959 CB LEU A 59 5.632 4.855 8.081 1.00 0.00 C ATOM 960 CG LEU A 59 4.119 4.785 7.860 1.00 0.00 C ATOM 961 CD1 LEU A 59 3.717 3.421 7.317 1.00 0.00 C ATOM 962 CD2 LEU A 59 3.372 5.101 9.150 1.00 0.00 C ATOM 0 H LEU A 59 6.724 5.955 6.085 1.00 0.00 H new ATOM 0 HA LEU A 59 5.477 6.946 8.537 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.128 4.281 7.298 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.870 4.373 9.029 1.00 0.00 H new ATOM 0 HG LEU A 59 3.845 5.536 7.119 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.638 3.393 7.167 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.220 3.245 6.366 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.005 2.647 8.028 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.298 5.046 8.971 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.650 4.379 9.918 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.633 6.105 9.485 1.00 0.00 H new ATOM 974 N SER A 60 7.297 6.571 10.235 1.00 0.00 N ATOM 975 CA SER A 60 8.422 6.669 11.161 1.00 0.00 C ATOM 976 C SER A 60 9.152 5.336 11.302 1.00 0.00 C ATOM 977 O SER A 60 10.343 5.304 11.614 1.00 0.00 O ATOM 978 CB SER A 60 7.936 7.140 12.533 1.00 0.00 C ATOM 979 OG SER A 60 7.320 8.414 12.446 1.00 0.00 O ATOM 0 H SER A 60 6.383 6.703 10.669 1.00 0.00 H new ATOM 0 HA SER A 60 9.123 7.397 10.753 1.00 0.00 H new ATOM 0 HB2 SER A 60 7.228 6.417 12.939 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.777 7.186 13.224 1.00 0.00 H new ATOM 0 HG SER A 60 7.017 8.692 13.335 1.00 0.00 H new ATOM 985 N ASP A 61 8.437 4.238 11.076 1.00 0.00 N ATOM 986 CA ASP A 61 9.027 2.909 11.188 1.00 0.00 C ATOM 987 C ASP A 61 9.668 2.477 9.875 1.00 0.00 C ATOM 988 O ASP A 61 10.126 1.343 9.740 1.00 0.00 O ATOM 989 CB ASP A 61 7.971 1.891 11.618 1.00 0.00 C ATOM 990 CG ASP A 61 7.681 1.957 13.105 1.00 0.00 C ATOM 991 OD1 ASP A 61 7.588 3.081 13.641 1.00 0.00 O ATOM 992 OD2 ASP A 61 7.555 0.885 13.734 1.00 0.00 O ATOM 0 H ASP A 61 7.451 4.242 10.815 1.00 0.00 H new ATOM 0 HA ASP A 61 9.807 2.953 11.948 1.00 0.00 H new ATOM 0 HB2 ASP A 61 7.050 2.069 11.062 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.310 0.888 11.360 1.00 0.00 H new ATOM 997 N GLY A 62 9.699 3.389 8.909 1.00 0.00 N ATOM 998 CA GLY A 62 10.292 3.083 7.620 1.00 0.00 C ATOM 999 C GLY A 62 9.374 2.259 6.740 1.00 0.00 C ATOM 1000 O GLY A 62 9.762 1.838 5.650 1.00 0.00 O ATOM 0 H GLY A 62 9.324 4.334 8.995 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.542 4.013 7.109 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.226 2.542 7.773 1.00 0.00 H new ATOM 1004 N GLY A 63 8.155 2.026 7.213 1.00 0.00 N ATOM 1005 CA GLY A 63 7.197 1.251 6.448 1.00 0.00 C ATOM 1006 C GLY A 63 6.356 2.119 5.534 1.00 0.00 C ATOM 1007 O GLY A 63 5.173 1.847 5.328 1.00 0.00 O ATOM 0 H GLY A 63 7.813 2.361 8.114 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.727 0.507 5.853 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.544 0.707 7.131 1.00 0.00 H new ATOM 1011 N PHE A 64 6.977 3.165 4.986 1.00 0.00 N ATOM 1012 CA PHE A 64 6.300 4.099 4.086 1.00 0.00 C ATOM 1013 C PHE A 64 5.288 3.383 3.195 1.00 0.00 C ATOM 1014 O PHE A 64 5.520 2.257 2.755 1.00 0.00 O ATOM 1015 CB PHE A 64 7.329 4.830 3.219 1.00 0.00 C ATOM 1016 CG PHE A 64 8.008 3.946 2.211 1.00 0.00 C ATOM 1017 CD1 PHE A 64 9.097 3.169 2.573 1.00 0.00 C ATOM 1018 CD2 PHE A 64 7.558 3.892 0.902 1.00 0.00 C ATOM 1019 CE1 PHE A 64 9.723 2.355 1.647 1.00 0.00 C ATOM 1020 CE2 PHE A 64 8.179 3.082 -0.027 1.00 0.00 C ATOM 1021 CZ PHE A 64 9.263 2.311 0.346 1.00 0.00 C ATOM 0 H PHE A 64 7.958 3.387 5.153 1.00 0.00 H new ATOM 0 HA PHE A 64 5.760 4.821 4.699 1.00 0.00 H new ATOM 0 HB2 PHE A 64 6.834 5.649 2.696 1.00 0.00 H new ATOM 0 HB3 PHE A 64 8.085 5.275 3.866 1.00 0.00 H new ATOM 0 HD1 PHE A 64 9.461 3.200 3.589 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.710 4.491 0.605 1.00 0.00 H new ATOM 0 HE1 PHE A 64 10.571 1.754 1.941 1.00 0.00 H new ATOM 0 HE2 PHE A 64 7.818 3.051 -1.044 1.00 0.00 H new ATOM 0 HZ PHE A 64 9.750 1.675 -0.379 1.00 0.00 H new ATOM 1031 N TYR A 65 4.166 4.045 2.929 1.00 0.00 N ATOM 1032 CA TYR A 65 3.122 3.460 2.093 1.00 0.00 C ATOM 1033 C TYR A 65 2.547 4.483 1.110 1.00 0.00 C ATOM 1034 O TYR A 65 2.857 5.671 1.177 1.00 0.00 O ATOM 1035 CB TYR A 65 2.005 2.885 2.971 1.00 0.00 C ATOM 1036 CG TYR A 65 0.982 3.905 3.420 1.00 0.00 C ATOM 1037 CD1 TYR A 65 1.237 4.761 4.487 1.00 0.00 C ATOM 1038 CD2 TYR A 65 -0.243 4.010 2.774 1.00 0.00 C ATOM 1039 CE1 TYR A 65 0.299 5.689 4.895 1.00 0.00 C ATOM 1040 CE2 TYR A 65 -1.184 4.937 3.176 1.00 0.00 C ATOM 1041 CZ TYR A 65 -0.909 5.773 4.236 1.00 0.00 C ATOM 1042 OH TYR A 65 -1.845 6.697 4.639 1.00 0.00 O ATOM 0 H TYR A 65 3.957 4.981 3.277 1.00 0.00 H new ATOM 0 HA TYR A 65 3.573 2.657 1.510 1.00 0.00 H new ATOM 0 HB2 TYR A 65 1.496 2.094 2.420 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.452 2.423 3.851 1.00 0.00 H new ATOM 0 HD1 TYR A 65 2.183 4.699 5.004 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -0.463 3.356 1.943 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.511 6.345 5.726 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.131 5.006 2.662 1.00 0.00 H new ATOM 0 HH TYR A 65 -2.640 6.627 4.070 1.00 0.00 H new ATOM 1052 N MET A 66 1.707 3.996 0.198 1.00 0.00 N ATOM 1053 CA MET A 66 1.071 4.843 -0.814 1.00 0.00 C ATOM 1054 C MET A 66 -0.447 4.738 -0.723 1.00 0.00 C ATOM 1055 O MET A 66 -0.989 3.669 -0.438 1.00 0.00 O ATOM 1056 CB MET A 66 1.529 4.422 -2.214 1.00 0.00 C ATOM 1057 CG MET A 66 3.011 4.640 -2.466 1.00 0.00 C ATOM 1058 SD MET A 66 3.616 3.734 -3.904 1.00 0.00 S ATOM 1059 CE MET A 66 2.479 4.288 -5.173 1.00 0.00 C ATOM 0 H MET A 66 1.449 3.011 0.138 1.00 0.00 H new ATOM 0 HA MET A 66 1.366 5.876 -0.631 1.00 0.00 H new ATOM 0 HB2 MET A 66 1.297 3.367 -2.360 1.00 0.00 H new ATOM 0 HB3 MET A 66 0.958 4.980 -2.956 1.00 0.00 H new ATOM 0 HG2 MET A 66 3.198 5.704 -2.608 1.00 0.00 H new ATOM 0 HG3 MET A 66 3.574 4.332 -1.585 1.00 0.00 H new ATOM 0 HE1 MET A 66 2.685 3.758 -6.103 1.00 0.00 H new ATOM 0 HE2 MET A 66 1.455 4.085 -4.858 1.00 0.00 H new ATOM 0 HE3 MET A 66 2.604 5.359 -5.331 1.00 0.00 H new ATOM 1069 N ALA A 67 -1.130 5.852 -0.963 1.00 0.00 N ATOM 1070 CA ALA A 67 -2.587 5.875 -0.914 1.00 0.00 C ATOM 1071 C ALA A 67 -3.163 6.719 -2.048 1.00 0.00 C ATOM 1072 O ALA A 67 -2.770 7.871 -2.233 1.00 0.00 O ATOM 1073 CB ALA A 67 -3.065 6.398 0.430 1.00 0.00 C ATOM 0 H ALA A 67 -0.700 6.748 -1.193 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.944 4.853 -1.039 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.155 6.409 0.450 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.694 5.751 1.225 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.690 7.410 0.581 1.00 0.00 H new ATOM 1079 N PRO A 68 -4.108 6.154 -2.820 1.00 0.00 N ATOM 1080 CA PRO A 68 -4.740 6.860 -3.937 1.00 0.00 C ATOM 1081 C PRO A 68 -5.548 8.060 -3.463 1.00 0.00 C ATOM 1082 O PRO A 68 -5.842 8.190 -2.274 1.00 0.00 O ATOM 1083 CB PRO A 68 -5.653 5.806 -4.569 1.00 0.00 C ATOM 1084 CG PRO A 68 -5.882 4.797 -3.500 1.00 0.00 C ATOM 1085 CD PRO A 68 -4.637 4.790 -2.658 1.00 0.00 C ATOM 0 HA PRO A 68 -4.006 7.263 -4.635 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.592 6.247 -4.902 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -5.186 5.354 -5.444 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.756 5.055 -2.901 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -6.069 3.812 -3.928 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -4.859 4.566 -1.615 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -3.925 4.039 -3.000 1.00 0.00 H new ATOM 1093 N ASP A 69 -5.908 8.937 -4.393 1.00 0.00 N ATOM 1094 CA ASP A 69 -6.673 10.131 -4.056 1.00 0.00 C ATOM 1095 C ASP A 69 -7.985 10.191 -4.830 1.00 0.00 C ATOM 1096 O ASP A 69 -8.100 10.917 -5.817 1.00 0.00 O ATOM 1097 CB ASP A 69 -5.842 11.378 -4.351 1.00 0.00 C ATOM 1098 CG ASP A 69 -6.411 12.620 -3.692 1.00 0.00 C ATOM 1099 OD1 ASP A 69 -6.039 12.901 -2.534 1.00 0.00 O ATOM 1100 OD2 ASP A 69 -7.229 13.311 -4.336 1.00 0.00 O ATOM 0 H ASP A 69 -5.683 8.844 -5.384 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.911 10.089 -2.993 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.821 11.221 -4.004 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.793 11.532 -5.429 1.00 0.00 H new ATOM 1105 N LEU A 70 -8.972 9.417 -4.385 1.00 0.00 N ATOM 1106 CA LEU A 70 -10.266 9.397 -5.039 1.00 0.00 C ATOM 1107 C LEU A 70 -11.368 9.868 -4.100 1.00 0.00 C ATOM 1108 O LEU A 70 -11.119 10.232 -2.951 1.00 0.00 O ATOM 1109 CB LEU A 70 -10.581 7.989 -5.544 1.00 0.00 C ATOM 1110 CG LEU A 70 -9.668 7.477 -6.658 1.00 0.00 C ATOM 1111 CD1 LEU A 70 -9.847 5.981 -6.846 1.00 0.00 C ATOM 1112 CD2 LEU A 70 -9.954 8.209 -7.958 1.00 0.00 C ATOM 0 H LEU A 70 -8.895 8.800 -3.577 1.00 0.00 H new ATOM 0 HA LEU A 70 -10.223 10.083 -5.885 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -10.524 7.298 -4.703 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.610 7.971 -5.903 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.634 7.670 -6.371 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.190 5.633 -7.643 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.597 5.465 -5.919 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -10.883 5.769 -7.112 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.295 7.832 -8.740 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.992 8.045 -8.247 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.780 9.276 -7.820 1.00 0.00 H new ATOM 1124 N ALA A 71 -12.582 9.866 -4.624 1.00 0.00 N ATOM 1125 CA ALA A 71 -13.770 10.285 -3.882 1.00 0.00 C ATOM 1126 C ALA A 71 -13.914 9.553 -2.549 1.00 0.00 C ATOM 1127 O ALA A 71 -13.002 8.863 -2.092 1.00 0.00 O ATOM 1128 CB ALA A 71 -15.013 10.073 -4.732 1.00 0.00 C ATOM 0 H ALA A 71 -12.777 9.573 -5.581 1.00 0.00 H new ATOM 0 HA ALA A 71 -13.654 11.345 -3.655 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -15.894 10.387 -4.173 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -14.934 10.662 -5.646 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -15.103 9.017 -4.988 1.00 0.00 H new ATOM 1134 N GLY A 72 -15.085 9.707 -1.939 1.00 0.00 N ATOM 1135 CA GLY A 72 -15.349 9.077 -0.658 1.00 0.00 C ATOM 1136 C GLY A 72 -16.141 7.794 -0.792 1.00 0.00 C ATOM 1137 O GLY A 72 -17.092 7.722 -1.570 1.00 0.00 O ATOM 0 H GLY A 72 -15.858 10.259 -2.310 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.403 8.865 -0.160 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -15.896 9.772 -0.021 1.00 0.00 H new ATOM 1141 N ARG A 73 -15.748 6.783 -0.022 1.00 0.00 N ATOM 1142 CA ARG A 73 -16.416 5.484 -0.046 1.00 0.00 C ATOM 1143 C ARG A 73 -16.488 4.930 -1.466 1.00 0.00 C ATOM 1144 O ARG A 73 -17.359 5.309 -2.250 1.00 0.00 O ATOM 1145 CB ARG A 73 -17.821 5.596 0.549 1.00 0.00 C ATOM 1146 CG ARG A 73 -17.831 6.008 2.013 1.00 0.00 C ATOM 1147 CD ARG A 73 -17.090 5.002 2.881 1.00 0.00 C ATOM 1148 NE ARG A 73 -17.034 5.418 4.279 1.00 0.00 N ATOM 1149 CZ ARG A 73 -16.887 4.573 5.294 1.00 0.00 C ATOM 1150 NH1 ARG A 73 -16.789 3.270 5.068 1.00 0.00 N ATOM 1151 NH2 ARG A 73 -16.836 5.030 6.538 1.00 0.00 N ATOM 0 H ARG A 73 -14.966 6.839 0.630 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.830 4.793 0.560 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -18.394 6.322 -0.028 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -18.327 4.636 0.447 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -17.370 6.990 2.119 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -18.861 6.100 2.359 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -17.582 4.032 2.811 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.077 4.873 2.501 1.00 0.00 H new ATOM 0 HE ARG A 73 -17.112 6.413 4.489 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -16.826 2.914 4.113 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -16.676 2.624 5.849 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -16.910 6.031 6.717 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -16.723 4.380 7.316 1.00 0.00 H new ATOM 1165 N LEU A 74 -15.570 4.025 -1.786 1.00 0.00 N ATOM 1166 CA LEU A 74 -15.524 3.420 -3.112 1.00 0.00 C ATOM 1167 C LEU A 74 -15.668 1.905 -3.022 1.00 0.00 C ATOM 1168 O LEU A 74 -14.977 1.252 -2.241 1.00 0.00 O ATOM 1169 CB LEU A 74 -14.211 3.777 -3.811 1.00 0.00 C ATOM 1170 CG LEU A 74 -13.803 5.249 -3.713 1.00 0.00 C ATOM 1171 CD1 LEU A 74 -12.477 5.479 -4.420 1.00 0.00 C ATOM 1172 CD2 LEU A 74 -14.883 6.148 -4.296 1.00 0.00 C ATOM 0 H LEU A 74 -14.848 3.694 -1.146 1.00 0.00 H new ATOM 0 HA LEU A 74 -16.357 3.813 -3.694 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -13.414 3.166 -3.387 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -14.293 3.508 -4.864 1.00 0.00 H new ATOM 0 HG LEU A 74 -13.683 5.502 -2.660 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -12.200 6.530 -4.342 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -11.706 4.865 -3.955 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -12.573 5.207 -5.471 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -14.572 7.190 -4.216 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -15.039 5.896 -5.345 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -15.813 6.004 -3.746 1.00 0.00 H new ATOM 1184 N GLU A 75 -16.570 1.354 -3.828 1.00 0.00 N ATOM 1185 CA GLU A 75 -16.811 -0.077 -3.839 1.00 0.00 C ATOM 1186 C GLU A 75 -15.555 -0.843 -4.244 1.00 0.00 C ATOM 1187 O GLU A 75 -15.244 -0.964 -5.430 1.00 0.00 O ATOM 1188 CB GLU A 75 -17.954 -0.403 -4.798 1.00 0.00 C ATOM 1189 CG GLU A 75 -18.441 -1.831 -4.685 1.00 0.00 C ATOM 1190 CD GLU A 75 -19.497 -2.176 -5.717 1.00 0.00 C ATOM 1191 OE1 GLU A 75 -20.640 -1.689 -5.582 1.00 0.00 O ATOM 1192 OE2 GLU A 75 -19.180 -2.931 -6.661 1.00 0.00 O ATOM 0 H GLU A 75 -17.146 1.883 -4.483 1.00 0.00 H new ATOM 0 HA GLU A 75 -17.085 -0.385 -2.830 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -18.786 0.274 -4.604 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -17.625 -0.218 -5.821 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -17.595 -2.509 -4.798 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -18.848 -1.993 -3.687 1.00 0.00 H new ATOM 1199 N ILE A 76 -14.833 -1.349 -3.250 1.00 0.00 N ATOM 1200 CA ILE A 76 -13.613 -2.109 -3.499 1.00 0.00 C ATOM 1201 C ILE A 76 -13.717 -3.511 -2.906 1.00 0.00 C ATOM 1202 O ILE A 76 -13.670 -3.694 -1.689 1.00 0.00 O ATOM 1203 CB ILE A 76 -12.369 -1.387 -2.929 1.00 0.00 C ATOM 1204 CG1 ILE A 76 -11.802 -0.410 -3.965 1.00 0.00 C ATOM 1205 CG2 ILE A 76 -11.304 -2.391 -2.498 1.00 0.00 C ATOM 1206 CD1 ILE A 76 -10.940 -1.068 -5.022 1.00 0.00 C ATOM 0 H ILE A 76 -15.072 -1.247 -2.264 1.00 0.00 H new ATOM 0 HA ILE A 76 -13.496 -2.189 -4.580 1.00 0.00 H new ATOM 0 HB ILE A 76 -12.674 -0.823 -2.048 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.628 0.106 -4.454 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.213 0.349 -3.450 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -10.440 -1.857 -2.101 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -11.712 -3.046 -1.728 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.998 -2.988 -3.357 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -10.576 -0.312 -5.718 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -10.092 -1.560 -4.545 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -11.530 -1.806 -5.565 1.00 0.00 H new ATOM 1218 N GLU A 77 -13.887 -4.495 -3.780 1.00 0.00 N ATOM 1219 CA GLU A 77 -13.989 -5.884 -3.352 1.00 0.00 C ATOM 1220 C GLU A 77 -12.615 -6.533 -3.333 1.00 0.00 C ATOM 1221 O GLU A 77 -11.837 -6.393 -4.276 1.00 0.00 O ATOM 1222 CB GLU A 77 -14.935 -6.666 -4.267 1.00 0.00 C ATOM 1223 CG GLU A 77 -14.509 -6.680 -5.725 1.00 0.00 C ATOM 1224 CD GLU A 77 -15.484 -7.429 -6.611 1.00 0.00 C ATOM 1225 OE1 GLU A 77 -16.565 -6.876 -6.904 1.00 0.00 O ATOM 1226 OE2 GLU A 77 -15.168 -8.571 -7.008 1.00 0.00 O ATOM 0 H GLU A 77 -13.957 -4.357 -4.788 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.398 -5.902 -2.342 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -15.004 -7.693 -3.909 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -15.934 -6.235 -4.194 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.414 -5.654 -6.082 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -13.524 -7.138 -5.807 1.00 0.00 H new ATOM 1233 N VAL A 78 -12.320 -7.244 -2.255 1.00 0.00 N ATOM 1234 CA VAL A 78 -11.029 -7.902 -2.112 1.00 0.00 C ATOM 1235 C VAL A 78 -11.144 -9.403 -2.307 1.00 0.00 C ATOM 1236 O VAL A 78 -11.601 -10.115 -1.414 1.00 0.00 O ATOM 1237 CB VAL A 78 -10.394 -7.638 -0.734 1.00 0.00 C ATOM 1238 CG1 VAL A 78 -9.580 -6.353 -0.754 1.00 0.00 C ATOM 1239 CG2 VAL A 78 -11.452 -7.599 0.350 1.00 0.00 C ATOM 0 H VAL A 78 -12.955 -7.380 -1.468 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.391 -7.478 -2.887 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.716 -8.461 -0.507 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.140 -6.186 0.229 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -8.787 -6.436 -1.497 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.229 -5.515 -1.009 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.979 -7.411 1.314 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -12.165 -6.803 0.134 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -11.975 -8.555 0.383 1.00 0.00 H new ATOM 1249 N ASN A 79 -10.733 -9.884 -3.475 1.00 0.00 N ATOM 1250 CA ASN A 79 -10.784 -11.311 -3.761 1.00 0.00 C ATOM 1251 C ASN A 79 -9.931 -12.072 -2.754 1.00 0.00 C ATOM 1252 O ASN A 79 -10.240 -13.206 -2.386 1.00 0.00 O ATOM 1253 CB ASN A 79 -10.283 -11.583 -5.180 1.00 0.00 C ATOM 1254 CG ASN A 79 -10.815 -10.577 -6.181 1.00 0.00 C ATOM 1255 OD1 ASN A 79 -10.141 -9.437 -6.282 1.00 0.00 O flip ATOM 1256 ND2 ASN A 79 -11.821 -10.817 -6.846 1.00 0.00 N flip ATOM 0 H ASN A 79 -10.364 -9.311 -4.233 1.00 0.00 H new ATOM 0 HA ASN A 79 -11.817 -11.650 -3.682 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -9.193 -11.559 -5.189 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -10.583 -12.586 -5.483 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -12.306 -11.707 -6.734 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -12.171 -10.126 -7.510 1.00 0.00 H new ATOM 1263 N GLY A 80 -8.849 -11.427 -2.323 1.00 0.00 N ATOM 1264 CA GLY A 80 -7.944 -12.023 -1.357 1.00 0.00 C ATOM 1265 C GLY A 80 -8.660 -12.723 -0.215 1.00 0.00 C ATOM 1266 O GLY A 80 -8.209 -13.767 0.255 1.00 0.00 O ATOM 0 H GLY A 80 -8.582 -10.492 -2.631 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.300 -12.740 -1.867 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.296 -11.247 -0.949 1.00 0.00 H new ATOM 1270 N ASN A 81 -9.775 -12.153 0.235 1.00 0.00 N ATOM 1271 CA ASN A 81 -10.537 -12.745 1.327 1.00 0.00 C ATOM 1272 C ASN A 81 -12.037 -12.569 1.112 1.00 0.00 C ATOM 1273 O ASN A 81 -12.830 -12.723 2.041 1.00 0.00 O ATOM 1274 CB ASN A 81 -10.117 -12.135 2.664 1.00 0.00 C ATOM 1275 CG ASN A 81 -10.650 -10.733 2.856 1.00 0.00 C ATOM 1276 OD1 ASN A 81 -11.743 -10.544 3.383 1.00 0.00 O ATOM 1277 ND2 ASN A 81 -9.873 -9.743 2.437 1.00 0.00 N ATOM 0 H ASN A 81 -10.167 -11.288 -0.137 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.322 -13.813 1.345 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -10.472 -12.769 3.476 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.029 -12.118 2.726 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -10.176 -8.775 2.547 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -8.972 -9.949 2.005 1.00 0.00 H new ATOM 1284 N GLY A 82 -12.419 -12.249 -0.121 1.00 0.00 N ATOM 1285 CA GLY A 82 -13.822 -12.074 -0.457 1.00 0.00 C ATOM 1286 C GLY A 82 -14.548 -11.032 0.375 1.00 0.00 C ATOM 1287 O GLY A 82 -15.761 -11.134 0.559 1.00 0.00 O ATOM 0 H GLY A 82 -11.776 -12.107 -0.900 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -13.898 -11.797 -1.509 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.331 -13.031 -0.342 1.00 0.00 H new ATOM 1291 N PHE A 83 -13.835 -10.029 0.882 1.00 0.00 N ATOM 1292 CA PHE A 83 -14.487 -8.988 1.679 1.00 0.00 C ATOM 1293 C PHE A 83 -14.994 -7.858 0.797 1.00 0.00 C ATOM 1294 O PHE A 83 -14.242 -6.965 0.411 1.00 0.00 O ATOM 1295 CB PHE A 83 -13.545 -8.435 2.751 1.00 0.00 C ATOM 1296 CG PHE A 83 -14.104 -7.249 3.485 1.00 0.00 C ATOM 1297 CD1 PHE A 83 -15.188 -7.393 4.336 1.00 0.00 C ATOM 1298 CD2 PHE A 83 -13.550 -5.990 3.318 1.00 0.00 C ATOM 1299 CE1 PHE A 83 -15.707 -6.303 5.009 1.00 0.00 C ATOM 1300 CE2 PHE A 83 -14.064 -4.896 3.989 1.00 0.00 C ATOM 1301 CZ PHE A 83 -15.145 -5.053 4.835 1.00 0.00 C ATOM 0 H PHE A 83 -12.829 -9.913 0.761 1.00 0.00 H new ATOM 0 HA PHE A 83 -15.340 -9.450 2.176 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -13.321 -9.224 3.469 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -12.602 -8.152 2.284 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -15.632 -8.368 4.475 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -12.707 -5.862 2.656 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -16.551 -6.428 5.671 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -13.621 -3.920 3.852 1.00 0.00 H new ATOM 0 HZ PHE A 83 -15.550 -4.200 5.359 1.00 0.00 H new ATOM 1311 N ARG A 84 -16.281 -7.903 0.481 1.00 0.00 N ATOM 1312 CA ARG A 84 -16.892 -6.877 -0.345 1.00 0.00 C ATOM 1313 C ARG A 84 -17.342 -5.707 0.513 1.00 0.00 C ATOM 1314 O ARG A 84 -18.178 -5.856 1.404 1.00 0.00 O ATOM 1315 CB ARG A 84 -18.072 -7.447 -1.131 1.00 0.00 C ATOM 1316 CG ARG A 84 -17.652 -8.235 -2.360 1.00 0.00 C ATOM 1317 CD ARG A 84 -16.999 -9.556 -1.983 1.00 0.00 C ATOM 1318 NE ARG A 84 -16.401 -10.222 -3.136 1.00 0.00 N ATOM 1319 CZ ARG A 84 -16.155 -11.527 -3.191 1.00 0.00 C ATOM 1320 NH1 ARG A 84 -16.472 -12.308 -2.167 1.00 0.00 N ATOM 1321 NH2 ARG A 84 -15.595 -12.054 -4.270 1.00 0.00 N ATOM 0 H ARG A 84 -16.919 -8.639 0.785 1.00 0.00 H new ATOM 0 HA ARG A 84 -16.147 -6.521 -1.057 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -18.657 -8.093 -0.477 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -18.724 -6.629 -1.438 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -18.524 -8.425 -2.986 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -16.957 -7.641 -2.953 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -16.232 -9.379 -1.229 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -17.743 -10.212 -1.532 1.00 0.00 H new ATOM 0 HE ARG A 84 -16.158 -9.653 -3.947 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -16.906 -11.907 -1.335 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -16.282 -13.309 -2.211 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -15.352 -11.458 -5.061 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -15.407 -13.056 -4.310 1.00 0.00 H new ATOM 1335 N GLY A 85 -16.777 -4.543 0.234 1.00 0.00 N ATOM 1336 CA GLY A 85 -17.119 -3.352 0.989 1.00 0.00 C ATOM 1337 C GLY A 85 -16.623 -2.078 0.334 1.00 0.00 C ATOM 1338 O GLY A 85 -15.565 -2.066 -0.296 1.00 0.00 O ATOM 0 H GLY A 85 -16.086 -4.399 -0.503 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -18.202 -3.298 1.103 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -16.696 -3.429 1.991 1.00 0.00 H new ATOM 1342 N GLU A 86 -17.391 -1.003 0.483 1.00 0.00 N ATOM 1343 CA GLU A 86 -17.027 0.286 -0.091 1.00 0.00 C ATOM 1344 C GLU A 86 -16.115 1.055 0.859 1.00 0.00 C ATOM 1345 O GLU A 86 -16.565 1.574 1.880 1.00 0.00 O ATOM 1346 CB GLU A 86 -18.282 1.106 -0.392 1.00 0.00 C ATOM 1347 CG GLU A 86 -19.257 0.407 -1.324 1.00 0.00 C ATOM 1348 CD GLU A 86 -20.539 1.190 -1.524 1.00 0.00 C ATOM 1349 OE1 GLU A 86 -21.468 1.027 -0.703 1.00 0.00 O ATOM 1350 OE2 GLU A 86 -20.615 1.966 -2.500 1.00 0.00 O ATOM 0 H GLU A 86 -18.271 -1.000 0.998 1.00 0.00 H new ATOM 0 HA GLU A 86 -16.490 0.109 -1.023 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -18.789 1.335 0.545 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -17.987 2.057 -0.836 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -18.779 0.248 -2.290 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -19.496 -0.577 -0.921 1.00 0.00 H new ATOM 1357 N LEU A 87 -14.833 1.121 0.517 1.00 0.00 N ATOM 1358 CA LEU A 87 -13.859 1.819 1.347 1.00 0.00 C ATOM 1359 C LEU A 87 -13.237 2.992 0.596 1.00 0.00 C ATOM 1360 O LEU A 87 -13.075 2.946 -0.624 1.00 0.00 O ATOM 1361 CB LEU A 87 -12.769 0.845 1.802 1.00 0.00 C ATOM 1362 CG LEU A 87 -11.835 1.372 2.893 1.00 0.00 C ATOM 1363 CD1 LEU A 87 -12.632 1.842 4.100 1.00 0.00 C ATOM 1364 CD2 LEU A 87 -10.840 0.296 3.300 1.00 0.00 C ATOM 0 H LEU A 87 -14.445 0.701 -0.327 1.00 0.00 H new ATOM 0 HA LEU A 87 -14.375 2.215 2.221 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.247 -0.065 2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -12.169 0.567 0.936 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.284 2.224 2.494 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.950 2.213 4.865 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -13.310 2.641 3.800 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.209 1.009 4.502 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.182 0.684 4.077 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.378 -0.572 3.681 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.246 0.003 2.434 1.00 0.00 H new ATOM 1376 N SER A 88 -12.891 4.043 1.335 1.00 0.00 N ATOM 1377 CA SER A 88 -12.290 5.232 0.742 1.00 0.00 C ATOM 1378 C SER A 88 -10.919 4.913 0.156 1.00 0.00 C ATOM 1379 O SER A 88 -10.287 3.929 0.534 1.00 0.00 O ATOM 1380 CB SER A 88 -12.165 6.341 1.789 1.00 0.00 C ATOM 1381 OG SER A 88 -11.343 5.935 2.869 1.00 0.00 O ATOM 0 H SER A 88 -13.017 4.094 2.346 1.00 0.00 H new ATOM 0 HA SER A 88 -12.939 5.574 -0.064 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.748 7.236 1.327 1.00 0.00 H new ATOM 0 HB3 SER A 88 -13.154 6.607 2.161 1.00 0.00 H new ATOM 0 HG SER A 88 -11.279 6.662 3.523 1.00 0.00 H new ATOM 1387 N ALA A 89 -10.465 5.757 -0.765 1.00 0.00 N ATOM 1388 CA ALA A 89 -9.170 5.564 -1.408 1.00 0.00 C ATOM 1389 C ALA A 89 -8.029 5.647 -0.399 1.00 0.00 C ATOM 1390 O ALA A 89 -6.903 5.248 -0.689 1.00 0.00 O ATOM 1391 CB ALA A 89 -8.974 6.592 -2.513 1.00 0.00 C ATOM 0 H ALA A 89 -10.975 6.581 -1.083 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.157 4.565 -1.844 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.004 6.438 -2.985 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.762 6.480 -3.258 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -9.015 7.595 -2.088 1.00 0.00 H new ATOM 1397 N ASP A 90 -8.327 6.165 0.786 1.00 0.00 N ATOM 1398 CA ASP A 90 -7.324 6.300 1.833 1.00 0.00 C ATOM 1399 C ASP A 90 -7.157 4.990 2.596 1.00 0.00 C ATOM 1400 O ASP A 90 -6.061 4.437 2.659 1.00 0.00 O ATOM 1401 CB ASP A 90 -7.713 7.420 2.800 1.00 0.00 C ATOM 1402 CG ASP A 90 -6.639 7.687 3.835 1.00 0.00 C ATOM 1403 OD1 ASP A 90 -6.640 7.007 4.882 1.00 0.00 O ATOM 1404 OD2 ASP A 90 -5.795 8.578 3.599 1.00 0.00 O ATOM 0 H ASP A 90 -9.255 6.498 1.045 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.374 6.550 1.362 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -7.906 8.333 2.236 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -8.642 7.155 3.304 1.00 0.00 H new ATOM 1409 N ALA A 91 -8.253 4.495 3.166 1.00 0.00 N ATOM 1410 CA ALA A 91 -8.222 3.250 3.928 1.00 0.00 C ATOM 1411 C ALA A 91 -8.072 2.044 3.008 1.00 0.00 C ATOM 1412 O ALA A 91 -7.753 0.945 3.460 1.00 0.00 O ATOM 1413 CB ALA A 91 -9.477 3.116 4.778 1.00 0.00 C ATOM 0 H ALA A 91 -9.171 4.936 3.115 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.354 3.281 4.586 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.438 2.183 5.340 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.538 3.955 5.472 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.355 3.115 4.132 1.00 0.00 H new ATOM 1419 N ALA A 92 -8.300 2.256 1.715 1.00 0.00 N ATOM 1420 CA ALA A 92 -8.182 1.184 0.737 1.00 0.00 C ATOM 1421 C ALA A 92 -6.774 1.148 0.165 1.00 0.00 C ATOM 1422 O ALA A 92 -6.241 0.078 -0.131 1.00 0.00 O ATOM 1423 CB ALA A 92 -9.208 1.357 -0.372 1.00 0.00 C ATOM 0 H ALA A 92 -8.567 3.159 1.323 1.00 0.00 H new ATOM 0 HA ALA A 92 -8.378 0.235 1.235 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -9.104 0.546 -1.093 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -10.211 1.337 0.054 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -9.045 2.311 -0.873 1.00 0.00 H new ATOM 1429 N GLY A 93 -6.176 2.326 0.011 1.00 0.00 N ATOM 1430 CA GLY A 93 -4.823 2.400 -0.499 1.00 0.00 C ATOM 1431 C GLY A 93 -3.872 1.624 0.380 1.00 0.00 C ATOM 1432 O GLY A 93 -2.780 1.248 -0.045 1.00 0.00 O ATOM 0 H GLY A 93 -6.604 3.226 0.230 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.791 2.005 -1.514 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.507 3.442 -0.553 1.00 0.00 H new ATOM 1436 N ILE A 94 -4.301 1.384 1.615 1.00 0.00 N ATOM 1437 CA ILE A 94 -3.501 0.633 2.570 1.00 0.00 C ATOM 1438 C ILE A 94 -3.379 -0.813 2.112 1.00 0.00 C ATOM 1439 O ILE A 94 -2.322 -1.431 2.224 1.00 0.00 O ATOM 1440 CB ILE A 94 -4.127 0.655 3.982 1.00 0.00 C ATOM 1441 CG1 ILE A 94 -4.817 1.998 4.256 1.00 0.00 C ATOM 1442 CG2 ILE A 94 -3.066 0.375 5.036 1.00 0.00 C ATOM 1443 CD1 ILE A 94 -3.913 3.202 4.101 1.00 0.00 C ATOM 0 H ILE A 94 -5.201 1.701 1.976 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.519 1.104 2.619 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.883 -0.129 4.032 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.664 2.104 3.578 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -5.219 1.987 5.269 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.522 0.394 6.026 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.626 -0.606 4.858 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.288 1.137 4.981 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.477 4.110 4.312 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.079 3.123 4.798 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.531 3.241 3.081 1.00 0.00 H new ATOM 1455 N VAL A 95 -4.482 -1.336 1.588 1.00 0.00 N ATOM 1456 CA VAL A 95 -4.537 -2.705 1.099 1.00 0.00 C ATOM 1457 C VAL A 95 -3.856 -2.837 -0.259 1.00 0.00 C ATOM 1458 O VAL A 95 -3.321 -3.892 -0.596 1.00 0.00 O ATOM 1459 CB VAL A 95 -5.998 -3.181 0.980 1.00 0.00 C ATOM 1460 CG1 VAL A 95 -6.064 -4.626 0.516 1.00 0.00 C ATOM 1461 CG2 VAL A 95 -6.722 -3.008 2.306 1.00 0.00 C ATOM 0 H VAL A 95 -5.359 -0.824 1.491 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.008 -3.328 1.820 1.00 0.00 H new ATOM 0 HB VAL A 95 -6.497 -2.566 0.231 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.106 -4.937 0.440 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.587 -4.717 -0.460 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -5.547 -5.263 1.234 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -7.752 -3.349 2.205 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.219 -3.595 3.074 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -6.714 -1.956 2.590 1.00 0.00 H new ATOM 1471 N ALA A 96 -3.872 -1.756 -1.033 1.00 0.00 N ATOM 1472 CA ALA A 96 -3.262 -1.755 -2.359 1.00 0.00 C ATOM 1473 C ALA A 96 -1.743 -1.881 -2.279 1.00 0.00 C ATOM 1474 O ALA A 96 -1.139 -2.677 -2.998 1.00 0.00 O ATOM 1475 CB ALA A 96 -3.645 -0.490 -3.110 1.00 0.00 C ATOM 0 H ALA A 96 -4.300 -0.870 -0.765 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.639 -2.623 -2.900 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.184 -0.500 -4.098 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.729 -0.443 -3.215 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.297 0.382 -2.556 1.00 0.00 H new ATOM 1481 N THR A 97 -1.131 -1.092 -1.402 1.00 0.00 N ATOM 1482 CA THR A 97 0.317 -1.109 -1.235 1.00 0.00 C ATOM 1483 C THR A 97 0.781 -2.356 -0.485 1.00 0.00 C ATOM 1484 O THR A 97 1.784 -2.971 -0.851 1.00 0.00 O ATOM 1485 CB THR A 97 0.811 0.143 -0.486 1.00 0.00 C ATOM 1486 OG1 THR A 97 2.214 0.036 -0.221 1.00 0.00 O ATOM 1487 CG2 THR A 97 0.054 0.328 0.820 1.00 0.00 C ATOM 0 H THR A 97 -1.617 -0.432 -0.795 1.00 0.00 H new ATOM 0 HA THR A 97 0.745 -1.118 -2.237 1.00 0.00 H new ATOM 0 HB THR A 97 0.628 1.012 -1.118 1.00 0.00 H new ATOM 0 HG1 THR A 97 2.519 0.837 0.254 1.00 0.00 H new ATOM 0 HG21 THR A 97 0.421 1.219 1.330 1.00 0.00 H new ATOM 0 HG22 THR A 97 -1.010 0.442 0.611 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.207 -0.544 1.456 1.00 0.00 H new ATOM 1495 N LEU A 98 0.053 -2.724 0.567 1.00 0.00 N ATOM 1496 CA LEU A 98 0.397 -3.897 1.368 1.00 0.00 C ATOM 1497 C LEU A 98 0.546 -5.149 0.504 1.00 0.00 C ATOM 1498 O LEU A 98 1.554 -5.849 0.586 1.00 0.00 O ATOM 1499 CB LEU A 98 -0.661 -4.137 2.448 1.00 0.00 C ATOM 1500 CG LEU A 98 -0.531 -3.252 3.690 1.00 0.00 C ATOM 1501 CD1 LEU A 98 -1.751 -3.406 4.585 1.00 0.00 C ATOM 1502 CD2 LEU A 98 0.745 -3.584 4.454 1.00 0.00 C ATOM 0 H LEU A 98 -0.779 -2.227 0.885 1.00 0.00 H new ATOM 0 HA LEU A 98 1.358 -3.696 1.841 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.647 -3.980 2.010 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.612 -5.181 2.758 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.473 -2.212 3.367 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.641 -2.769 5.463 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.645 -3.114 4.035 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.842 -4.446 4.900 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.819 -2.944 5.333 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.721 -4.628 4.766 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.608 -3.417 3.810 1.00 0.00 H new ATOM 1514 N PHE A 99 -0.461 -5.426 -0.320 1.00 0.00 N ATOM 1515 CA PHE A 99 -0.435 -6.600 -1.189 1.00 0.00 C ATOM 1516 C PHE A 99 0.785 -6.586 -2.105 1.00 0.00 C ATOM 1517 O PHE A 99 1.285 -7.638 -2.503 1.00 0.00 O ATOM 1518 CB PHE A 99 -1.716 -6.679 -2.023 1.00 0.00 C ATOM 1519 CG PHE A 99 -2.803 -7.487 -1.373 1.00 0.00 C ATOM 1520 CD1 PHE A 99 -3.701 -6.895 -0.500 1.00 0.00 C ATOM 1521 CD2 PHE A 99 -2.925 -8.842 -1.638 1.00 0.00 C ATOM 1522 CE1 PHE A 99 -4.700 -7.641 0.099 1.00 0.00 C ATOM 1523 CE2 PHE A 99 -3.922 -9.592 -1.043 1.00 0.00 C ATOM 1524 CZ PHE A 99 -4.810 -8.990 -0.174 1.00 0.00 C ATOM 0 H PHE A 99 -1.303 -4.856 -0.405 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.371 -7.482 -0.551 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -2.084 -5.670 -2.206 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.482 -7.114 -2.995 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -3.620 -5.840 -0.285 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -2.233 -9.317 -2.317 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.393 -7.169 0.779 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.006 -10.647 -1.258 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.590 -9.574 0.292 1.00 0.00 H new ATOM 1534 N ALA A 100 1.261 -5.391 -2.434 1.00 0.00 N ATOM 1535 CA ALA A 100 2.425 -5.244 -3.297 1.00 0.00 C ATOM 1536 C ALA A 100 3.688 -5.712 -2.581 1.00 0.00 C ATOM 1537 O ALA A 100 4.579 -6.301 -3.193 1.00 0.00 O ATOM 1538 CB ALA A 100 2.572 -3.799 -3.747 1.00 0.00 C ATOM 0 H ALA A 100 0.858 -4.510 -2.116 1.00 0.00 H new ATOM 0 HA ALA A 100 2.281 -5.868 -4.179 1.00 0.00 H new ATOM 0 HB1 ALA A 100 3.446 -3.706 -4.391 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.681 -3.497 -4.298 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.694 -3.157 -2.875 1.00 0.00 H new ATOM 1544 N LEU A 101 3.755 -5.442 -1.281 1.00 0.00 N ATOM 1545 CA LEU A 101 4.904 -5.837 -0.473 1.00 0.00 C ATOM 1546 C LEU A 101 5.054 -7.355 -0.439 1.00 0.00 C ATOM 1547 O LEU A 101 6.157 -7.884 -0.581 1.00 0.00 O ATOM 1548 CB LEU A 101 4.758 -5.305 0.955 1.00 0.00 C ATOM 1549 CG LEU A 101 4.685 -3.781 1.086 1.00 0.00 C ATOM 1550 CD1 LEU A 101 4.498 -3.382 2.544 1.00 0.00 C ATOM 1551 CD2 LEU A 101 5.935 -3.132 0.510 1.00 0.00 C ATOM 0 H LEU A 101 3.026 -4.951 -0.764 1.00 0.00 H new ATOM 0 HA LEU A 101 5.796 -5.409 -0.929 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.857 -5.734 1.393 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.601 -5.663 1.546 1.00 0.00 H new ATOM 0 HG LEU A 101 3.825 -3.427 0.518 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.448 -2.296 2.620 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.573 -3.815 2.924 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.339 -3.749 3.132 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.863 -2.049 0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.812 -3.490 1.049 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.026 -3.391 -0.545 1.00 0.00 H new ATOM 1563 N GLY A 102 3.936 -8.049 -0.250 1.00 0.00 N ATOM 1564 CA GLY A 102 3.959 -9.500 -0.190 1.00 0.00 C ATOM 1565 C GLY A 102 4.393 -10.140 -1.496 1.00 0.00 C ATOM 1566 O GLY A 102 5.052 -11.179 -1.492 1.00 0.00 O ATOM 0 H GLY A 102 3.012 -7.632 -0.137 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.635 -9.815 0.605 1.00 0.00 H new ATOM 0 HA3 GLY A 102 2.966 -9.863 0.074 1.00 0.00 H new ATOM 1570 N GLN A 103 4.025 -9.523 -2.614 1.00 0.00 N ATOM 1571 CA GLN A 103 4.381 -10.051 -3.926 1.00 0.00 C ATOM 1572 C GLN A 103 5.876 -9.903 -4.190 1.00 0.00 C ATOM 1573 O GLN A 103 6.516 -10.814 -4.714 1.00 0.00 O ATOM 1574 CB GLN A 103 3.581 -9.344 -5.023 1.00 0.00 C ATOM 1575 CG GLN A 103 3.703 -10.010 -6.385 1.00 0.00 C ATOM 1576 CD GLN A 103 2.751 -9.424 -7.410 1.00 0.00 C ATOM 1577 OE1 GLN A 103 1.610 -9.869 -7.541 1.00 0.00 O ATOM 1578 NE2 GLN A 103 3.219 -8.429 -8.154 1.00 0.00 N ATOM 0 H GLN A 103 3.482 -8.660 -2.638 1.00 0.00 H new ATOM 0 HA GLN A 103 4.135 -11.113 -3.937 1.00 0.00 H new ATOM 0 HB2 GLN A 103 2.530 -9.314 -4.734 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.920 -8.311 -5.101 1.00 0.00 H new ATOM 0 HG2 GLN A 103 4.727 -9.907 -6.745 1.00 0.00 H new ATOM 0 HG3 GLN A 103 3.507 -11.077 -6.282 1.00 0.00 H new ATOM 0 HE21 GLN A 103 4.171 -8.090 -8.013 1.00 0.00 H new ATOM 0 HE22 GLN A 103 2.627 -8.003 -8.867 1.00 0.00 H new ATOM 1587 N LEU A 104 6.425 -8.748 -3.825 1.00 0.00 N ATOM 1588 CA LEU A 104 7.847 -8.482 -4.019 1.00 0.00 C ATOM 1589 C LEU A 104 8.702 -9.503 -3.278 1.00 0.00 C ATOM 1590 O LEU A 104 9.685 -10.014 -3.818 1.00 0.00 O ATOM 1591 CB LEU A 104 8.194 -7.070 -3.538 1.00 0.00 C ATOM 1592 CG LEU A 104 7.563 -5.934 -4.344 1.00 0.00 C ATOM 1593 CD1 LEU A 104 7.812 -4.599 -3.665 1.00 0.00 C ATOM 1594 CD2 LEU A 104 8.112 -5.918 -5.761 1.00 0.00 C ATOM 0 H LEU A 104 5.908 -7.982 -3.394 1.00 0.00 H new ATOM 0 HA LEU A 104 8.060 -8.562 -5.085 1.00 0.00 H new ATOM 0 HB2 LEU A 104 7.884 -6.972 -2.498 1.00 0.00 H new ATOM 0 HB3 LEU A 104 9.277 -6.952 -3.560 1.00 0.00 H new ATOM 0 HG LEU A 104 6.487 -6.103 -4.392 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.356 -3.802 -4.252 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.374 -4.611 -2.667 1.00 0.00 H new ATOM 0 HD13 LEU A 104 8.885 -4.425 -3.588 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.652 -5.103 -6.320 1.00 0.00 H new ATOM 0 HD22 LEU A 104 9.192 -5.773 -5.731 1.00 0.00 H new ATOM 0 HD23 LEU A 104 7.886 -6.866 -6.249 1.00 0.00 H new ATOM 1606 N ALA A 105 8.325 -9.798 -2.037 1.00 0.00 N ATOM 1607 CA ALA A 105 9.058 -10.755 -1.218 1.00 0.00 C ATOM 1608 C ALA A 105 9.043 -12.148 -1.840 1.00 0.00 C ATOM 1609 O ALA A 105 10.021 -12.890 -1.749 1.00 0.00 O ATOM 1610 CB ALA A 105 8.463 -10.806 0.181 1.00 0.00 C ATOM 0 H ALA A 105 7.513 -9.386 -1.577 1.00 0.00 H new ATOM 0 HA ALA A 105 10.094 -10.423 -1.161 1.00 0.00 H new ATOM 0 HB1 ALA A 105 9.017 -11.524 0.786 1.00 0.00 H new ATOM 0 HB2 ALA A 105 8.527 -9.819 0.640 1.00 0.00 H new ATOM 0 HB3 ALA A 105 7.418 -11.112 0.121 1.00 0.00 H new ATOM 1616 N ALA A 106 7.926 -12.496 -2.471 1.00 0.00 N ATOM 1617 CA ALA A 106 7.774 -13.806 -3.094 1.00 0.00 C ATOM 1618 C ALA A 106 8.335 -13.827 -4.513 1.00 0.00 C ATOM 1619 O ALA A 106 8.562 -14.895 -5.080 1.00 0.00 O ATOM 1620 CB ALA A 106 6.309 -14.216 -3.102 1.00 0.00 C ATOM 0 H ALA A 106 7.112 -11.888 -2.564 1.00 0.00 H new ATOM 0 HA ALA A 106 8.346 -14.522 -2.503 1.00 0.00 H new ATOM 0 HB1 ALA A 106 6.208 -15.195 -3.569 1.00 0.00 H new ATOM 0 HB2 ALA A 106 5.939 -14.263 -2.078 1.00 0.00 H new ATOM 0 HB3 ALA A 106 5.729 -13.484 -3.664 1.00 0.00 H new ATOM 1626 N GLU A 107 8.560 -12.648 -5.083 1.00 0.00 N ATOM 1627 CA GLU A 107 9.092 -12.548 -6.438 1.00 0.00 C ATOM 1628 C GLU A 107 10.531 -13.049 -6.494 1.00 0.00 C ATOM 1629 O GLU A 107 10.931 -13.714 -7.450 1.00 0.00 O ATOM 1630 CB GLU A 107 9.023 -11.101 -6.930 1.00 0.00 C ATOM 1631 CG GLU A 107 9.398 -10.937 -8.394 1.00 0.00 C ATOM 1632 CD GLU A 107 8.435 -11.649 -9.325 1.00 0.00 C ATOM 1633 OE1 GLU A 107 7.402 -11.045 -9.685 1.00 0.00 O ATOM 1634 OE2 GLU A 107 8.715 -12.809 -9.694 1.00 0.00 O ATOM 0 H GLU A 107 8.383 -11.751 -4.630 1.00 0.00 H new ATOM 0 HA GLU A 107 8.482 -13.174 -7.089 1.00 0.00 H new ATOM 0 HB2 GLU A 107 8.012 -10.722 -6.778 1.00 0.00 H new ATOM 0 HB3 GLU A 107 9.688 -10.487 -6.322 1.00 0.00 H new ATOM 0 HG2 GLU A 107 9.421 -9.876 -8.643 1.00 0.00 H new ATOM 0 HG3 GLU A 107 10.405 -11.324 -8.553 1.00 0.00 H new ATOM 1750 N LEU A 117 12.345 -7.619 3.121 1.00 0.00 N ATOM 1751 CA LEU A 117 11.676 -6.363 2.809 1.00 0.00 C ATOM 1752 C LEU A 117 10.294 -6.343 3.447 1.00 0.00 C ATOM 1753 O LEU A 117 9.692 -5.283 3.625 1.00 0.00 O ATOM 1754 CB LEU A 117 11.588 -6.151 1.281 1.00 0.00 C ATOM 1755 CG LEU A 117 10.588 -7.032 0.512 1.00 0.00 C ATOM 1756 CD1 LEU A 117 10.770 -8.499 0.860 1.00 0.00 C ATOM 1757 CD2 LEU A 117 9.153 -6.594 0.767 1.00 0.00 C ATOM 0 HA LEU A 117 12.261 -5.540 3.220 1.00 0.00 H new ATOM 0 HB2 LEU A 117 11.332 -5.108 1.098 1.00 0.00 H new ATOM 0 HB3 LEU A 117 12.579 -6.315 0.858 1.00 0.00 H new ATOM 0 HG LEU A 117 10.793 -6.907 -0.551 1.00 0.00 H new ATOM 0 HD11 LEU A 117 10.050 -9.097 0.302 1.00 0.00 H new ATOM 0 HD12 LEU A 117 11.781 -8.812 0.600 1.00 0.00 H new ATOM 0 HD13 LEU A 117 10.610 -8.642 1.929 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.472 -7.237 0.209 1.00 0.00 H new ATOM 0 HD22 LEU A 117 8.933 -6.670 1.832 1.00 0.00 H new ATOM 0 HD23 LEU A 117 9.025 -5.561 0.443 1.00 0.00 H new ATOM 1769 N ILE A 118 9.799 -7.532 3.790 1.00 0.00 N ATOM 1770 CA ILE A 118 8.492 -7.669 4.418 1.00 0.00 C ATOM 1771 C ILE A 118 8.437 -6.878 5.722 1.00 0.00 C ATOM 1772 O ILE A 118 7.360 -6.531 6.207 1.00 0.00 O ATOM 1773 CB ILE A 118 8.159 -9.155 4.687 1.00 0.00 C ATOM 1774 CG1 ILE A 118 7.782 -9.856 3.379 1.00 0.00 C ATOM 1775 CG2 ILE A 118 7.039 -9.292 5.708 1.00 0.00 C ATOM 1776 CD1 ILE A 118 6.526 -9.307 2.733 1.00 0.00 C ATOM 0 H ILE A 118 10.288 -8.415 3.641 1.00 0.00 H new ATOM 0 HA ILE A 118 7.748 -7.268 3.730 1.00 0.00 H new ATOM 0 HB ILE A 118 9.047 -9.633 5.101 1.00 0.00 H new ATOM 0 HG12 ILE A 118 8.611 -9.765 2.677 1.00 0.00 H new ATOM 0 HG13 ILE A 118 7.644 -10.920 3.574 1.00 0.00 H new ATOM 0 HG21 ILE A 118 6.827 -10.348 5.876 1.00 0.00 H new ATOM 0 HG22 ILE A 118 7.344 -8.829 6.647 1.00 0.00 H new ATOM 0 HG23 ILE A 118 6.143 -8.797 5.333 1.00 0.00 H new ATOM 0 HD11 ILE A 118 6.322 -9.853 1.812 1.00 0.00 H new ATOM 0 HD12 ILE A 118 5.685 -9.423 3.417 1.00 0.00 H new ATOM 0 HD13 ILE A 118 6.666 -8.250 2.505 1.00 0.00 H new ATOM 1788 N ASP A 119 9.609 -6.596 6.281 1.00 0.00 N ATOM 1789 CA ASP A 119 9.705 -5.838 7.521 1.00 0.00 C ATOM 1790 C ASP A 119 8.819 -4.599 7.467 1.00 0.00 C ATOM 1791 O ASP A 119 8.117 -4.282 8.427 1.00 0.00 O ATOM 1792 CB ASP A 119 11.154 -5.426 7.773 1.00 0.00 C ATOM 1793 CG ASP A 119 11.832 -6.292 8.818 1.00 0.00 C ATOM 1794 OD1 ASP A 119 12.368 -7.357 8.448 1.00 0.00 O ATOM 1795 OD2 ASP A 119 11.825 -5.905 10.004 1.00 0.00 O ATOM 0 H ASP A 119 10.508 -6.882 5.893 1.00 0.00 H new ATOM 0 HA ASP A 119 9.364 -6.474 8.338 1.00 0.00 H new ATOM 0 HB2 ASP A 119 11.713 -5.485 6.839 1.00 0.00 H new ATOM 0 HB3 ASP A 119 11.181 -4.385 8.095 1.00 0.00 H new ATOM 1800 N ARG A 120 8.859 -3.907 6.334 1.00 0.00 N ATOM 1801 CA ARG A 120 8.061 -2.700 6.141 1.00 0.00 C ATOM 1802 C ARG A 120 6.570 -3.014 6.229 1.00 0.00 C ATOM 1803 O ARG A 120 5.792 -2.226 6.765 1.00 0.00 O ATOM 1804 CB ARG A 120 8.380 -2.060 4.785 1.00 0.00 C ATOM 1805 CG ARG A 120 9.778 -1.461 4.696 1.00 0.00 C ATOM 1806 CD ARG A 120 10.855 -2.534 4.713 1.00 0.00 C ATOM 1807 NE ARG A 120 12.192 -1.973 4.540 1.00 0.00 N ATOM 1808 CZ ARG A 120 13.266 -2.410 5.192 1.00 0.00 C ATOM 1809 NH1 ARG A 120 13.155 -3.396 6.072 1.00 0.00 N ATOM 1810 NH2 ARG A 120 14.449 -1.857 4.970 1.00 0.00 N ATOM 0 H ARG A 120 9.437 -4.161 5.533 1.00 0.00 H new ATOM 0 HA ARG A 120 8.315 -1.997 6.935 1.00 0.00 H new ATOM 0 HB2 ARG A 120 8.268 -2.812 4.004 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.648 -1.279 4.582 1.00 0.00 H new ATOM 0 HG2 ARG A 120 9.864 -0.874 3.782 1.00 0.00 H new ATOM 0 HG3 ARG A 120 9.934 -0.777 5.530 1.00 0.00 H new ATOM 0 HD2 ARG A 120 10.810 -3.078 5.657 1.00 0.00 H new ATOM 0 HD3 ARG A 120 10.660 -3.256 3.920 1.00 0.00 H new ATOM 0 HE ARG A 120 12.309 -1.202 3.882 1.00 0.00 H new ATOM 0 HH11 ARG A 120 12.245 -3.821 6.250 1.00 0.00 H new ATOM 0 HH12 ARG A 120 13.980 -3.730 6.571 1.00 0.00 H new ATOM 0 HH21 ARG A 120 14.538 -1.095 4.298 1.00 0.00 H new ATOM 0 HH22 ARG A 120 15.271 -2.193 5.471 1.00 0.00 H new ATOM 1824 N TYR A 121 6.181 -4.168 5.694 1.00 0.00 N ATOM 1825 CA TYR A 121 4.784 -4.592 5.709 1.00 0.00 C ATOM 1826 C TYR A 121 4.229 -4.593 7.130 1.00 0.00 C ATOM 1827 O TYR A 121 3.188 -3.993 7.400 1.00 0.00 O ATOM 1828 CB TYR A 121 4.652 -5.991 5.097 1.00 0.00 C ATOM 1829 CG TYR A 121 3.228 -6.489 4.987 1.00 0.00 C ATOM 1830 CD1 TYR A 121 2.558 -6.998 6.094 1.00 0.00 C ATOM 1831 CD2 TYR A 121 2.554 -6.459 3.773 1.00 0.00 C ATOM 1832 CE1 TYR A 121 1.259 -7.458 5.994 1.00 0.00 C ATOM 1833 CE2 TYR A 121 1.255 -6.917 3.664 1.00 0.00 C ATOM 1834 CZ TYR A 121 0.613 -7.417 4.778 1.00 0.00 C ATOM 1835 OH TYR A 121 -0.680 -7.876 4.673 1.00 0.00 O ATOM 0 H TYR A 121 6.815 -4.828 5.244 1.00 0.00 H new ATOM 0 HA TYR A 121 4.207 -3.883 5.115 1.00 0.00 H new ATOM 0 HB2 TYR A 121 5.100 -5.984 4.103 1.00 0.00 H new ATOM 0 HB3 TYR A 121 5.225 -6.695 5.701 1.00 0.00 H new ATOM 0 HD1 TYR A 121 3.062 -7.034 7.049 1.00 0.00 H new ATOM 0 HD2 TYR A 121 3.054 -6.071 2.898 1.00 0.00 H new ATOM 0 HE1 TYR A 121 0.753 -7.848 6.865 1.00 0.00 H new ATOM 0 HE2 TYR A 121 0.745 -6.884 2.712 1.00 0.00 H new ATOM 0 HH TYR A 121 -0.989 -7.775 3.748 1.00 0.00 H new ATOM 1845 N HIS A 122 4.930 -5.274 8.031 1.00 0.00 N ATOM 1846 CA HIS A 122 4.508 -5.363 9.426 1.00 0.00 C ATOM 1847 C HIS A 122 4.300 -3.979 10.032 1.00 0.00 C ATOM 1848 O HIS A 122 3.427 -3.787 10.879 1.00 0.00 O ATOM 1849 CB HIS A 122 5.541 -6.135 10.247 1.00 0.00 C ATOM 1850 CG HIS A 122 5.615 -7.590 9.902 1.00 0.00 C ATOM 1851 ND1 HIS A 122 6.279 -8.235 8.915 1.00 0.00 N flip ATOM 1852 CD2 HIS A 122 4.952 -8.567 10.616 1.00 0.00 C flip ATOM 1853 CE1 HIS A 122 6.008 -9.574 9.050 1.00 0.00 C flip ATOM 1854 NE2 HIS A 122 5.206 -9.749 10.083 1.00 0.00 N flip ATOM 0 H HIS A 122 5.794 -5.773 7.820 1.00 0.00 H new ATOM 0 HA HIS A 122 3.557 -5.895 9.450 1.00 0.00 H new ATOM 0 HB2 HIS A 122 6.522 -5.684 10.097 1.00 0.00 H new ATOM 0 HB3 HIS A 122 5.301 -6.033 11.305 1.00 0.00 H new ATOM 0 HD2 HIS A 122 4.323 -8.393 11.477 1.00 0.00 H new ATOM 0 HE1 HIS A 122 6.390 -10.358 8.413 1.00 0.00 H new ATOM 0 HE2 HIS A 122 4.844 -10.644 10.413 1.00 0.00 H new ATOM 1863 N PHE A 123 5.105 -3.017 9.593 1.00 0.00 N ATOM 1864 CA PHE A 123 5.006 -1.653 10.102 1.00 0.00 C ATOM 1865 C PHE A 123 3.696 -0.998 9.675 1.00 0.00 C ATOM 1866 O PHE A 123 2.910 -0.559 10.516 1.00 0.00 O ATOM 1867 CB PHE A 123 6.193 -0.813 9.622 1.00 0.00 C ATOM 1868 CG PHE A 123 7.522 -1.293 10.140 1.00 0.00 C ATOM 1869 CD1 PHE A 123 7.684 -1.629 11.475 1.00 0.00 C ATOM 1870 CD2 PHE A 123 8.609 -1.407 9.288 1.00 0.00 C ATOM 1871 CE1 PHE A 123 8.904 -2.069 11.951 1.00 0.00 C ATOM 1872 CE2 PHE A 123 9.832 -1.847 9.758 1.00 0.00 C ATOM 1873 CZ PHE A 123 9.980 -2.178 11.090 1.00 0.00 C ATOM 0 H PHE A 123 5.830 -3.155 8.889 1.00 0.00 H new ATOM 0 HA PHE A 123 5.024 -1.703 11.191 1.00 0.00 H new ATOM 0 HB2 PHE A 123 6.214 -0.819 8.532 1.00 0.00 H new ATOM 0 HB3 PHE A 123 6.044 0.221 9.932 1.00 0.00 H new ATOM 0 HD1 PHE A 123 6.846 -1.546 12.151 1.00 0.00 H new ATOM 0 HD2 PHE A 123 8.499 -1.149 8.245 1.00 0.00 H new ATOM 0 HE1 PHE A 123 9.017 -2.327 12.994 1.00 0.00 H new ATOM 0 HE2 PHE A 123 10.671 -1.932 9.084 1.00 0.00 H new ATOM 0 HZ PHE A 123 10.935 -2.522 11.459 1.00 0.00 H new ATOM 1883 N LEU A 124 3.464 -0.931 8.366 1.00 0.00 N ATOM 1884 CA LEU A 124 2.249 -0.324 7.834 1.00 0.00 C ATOM 1885 C LEU A 124 1.003 -0.996 8.403 1.00 0.00 C ATOM 1886 O LEU A 124 0.108 -0.328 8.921 1.00 0.00 O ATOM 1887 CB LEU A 124 2.233 -0.412 6.307 1.00 0.00 C ATOM 1888 CG LEU A 124 0.938 0.063 5.643 1.00 0.00 C ATOM 1889 CD1 LEU A 124 0.673 1.526 5.969 1.00 0.00 C ATOM 1890 CD2 LEU A 124 1.001 -0.149 4.138 1.00 0.00 C ATOM 0 H LEU A 124 4.102 -1.290 7.655 1.00 0.00 H new ATOM 0 HA LEU A 124 2.242 0.724 8.133 1.00 0.00 H new ATOM 0 HB2 LEU A 124 3.061 0.178 5.916 1.00 0.00 H new ATOM 0 HB3 LEU A 124 2.414 -1.447 6.016 1.00 0.00 H new ATOM 0 HG LEU A 124 0.113 -0.529 6.038 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -0.252 1.844 5.488 1.00 0.00 H new ATOM 0 HD12 LEU A 124 0.581 1.647 7.048 1.00 0.00 H new ATOM 0 HD13 LEU A 124 1.500 2.136 5.605 1.00 0.00 H new ATOM 0 HD21 LEU A 124 0.072 0.194 3.683 1.00 0.00 H new ATOM 0 HD22 LEU A 124 1.837 0.416 3.726 1.00 0.00 H new ATOM 0 HD23 LEU A 124 1.139 -1.209 3.925 1.00 0.00 H new ATOM 1902 N ARG A 125 0.946 -2.319 8.284 1.00 0.00 N ATOM 1903 CA ARG A 125 -0.187 -3.087 8.791 1.00 0.00 C ATOM 1904 C ARG A 125 -0.546 -2.681 10.219 1.00 0.00 C ATOM 1905 O ARG A 125 -1.705 -2.773 10.624 1.00 0.00 O ATOM 1906 CB ARG A 125 0.122 -4.585 8.739 1.00 0.00 C ATOM 1907 CG ARG A 125 -1.046 -5.462 9.162 1.00 0.00 C ATOM 1908 CD ARG A 125 -0.746 -6.935 8.941 1.00 0.00 C ATOM 1909 NE ARG A 125 -1.877 -7.784 9.308 1.00 0.00 N ATOM 1910 CZ ARG A 125 -1.907 -9.099 9.112 1.00 0.00 C ATOM 1911 NH1 ARG A 125 -0.870 -9.714 8.557 1.00 0.00 N ATOM 1912 NH2 ARG A 125 -2.973 -9.800 9.471 1.00 0.00 N ATOM 0 H ARG A 125 1.672 -2.882 7.841 1.00 0.00 H new ATOM 0 HA ARG A 125 -1.044 -2.872 8.153 1.00 0.00 H new ATOM 0 HB2 ARG A 125 0.417 -4.852 7.724 1.00 0.00 H new ATOM 0 HB3 ARG A 125 0.975 -4.794 9.384 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -1.269 -5.289 10.215 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -1.935 -5.182 8.597 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -0.493 -7.100 7.894 1.00 0.00 H new ATOM 0 HD3 ARG A 125 0.127 -7.220 9.529 1.00 0.00 H new ATOM 0 HE ARG A 125 -2.690 -7.343 9.739 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -0.048 -9.178 8.280 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -0.895 -10.723 8.408 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -3.772 -9.331 9.898 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -2.995 -10.809 9.320 1.00 0.00 H new ATOM 1926 N GLY A 126 0.449 -2.230 10.980 1.00 0.00 N ATOM 1927 CA GLY A 126 0.206 -1.822 12.352 1.00 0.00 C ATOM 1928 C GLY A 126 -0.341 -0.411 12.460 1.00 0.00 C ATOM 1929 O GLY A 126 -1.051 -0.088 13.414 1.00 0.00 O ATOM 0 H GLY A 126 1.417 -2.140 10.671 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -0.498 -2.515 12.813 1.00 0.00 H new ATOM 0 HA3 GLY A 126 1.136 -1.890 12.916 1.00 0.00 H new ATOM 1933 N PHE A 127 -0.012 0.434 11.487 1.00 0.00 N ATOM 1934 CA PHE A 127 -0.474 1.817 11.481 1.00 0.00 C ATOM 1935 C PHE A 127 -1.958 1.899 11.128 1.00 0.00 C ATOM 1936 O PHE A 127 -2.688 2.734 11.663 1.00 0.00 O ATOM 1937 CB PHE A 127 0.350 2.637 10.482 1.00 0.00 C ATOM 1938 CG PHE A 127 -0.208 4.005 10.204 1.00 0.00 C ATOM 1939 CD1 PHE A 127 -0.084 5.022 11.135 1.00 0.00 C ATOM 1940 CD2 PHE A 127 -0.855 4.271 9.008 1.00 0.00 C ATOM 1941 CE1 PHE A 127 -0.595 6.281 10.879 1.00 0.00 C ATOM 1942 CE2 PHE A 127 -1.368 5.527 8.746 1.00 0.00 C ATOM 1943 CZ PHE A 127 -1.237 6.534 9.683 1.00 0.00 C ATOM 0 H PHE A 127 0.574 0.183 10.691 1.00 0.00 H new ATOM 0 HA PHE A 127 -0.341 2.227 12.482 1.00 0.00 H new ATOM 0 HB2 PHE A 127 1.366 2.741 10.864 1.00 0.00 H new ATOM 0 HB3 PHE A 127 0.417 2.086 9.544 1.00 0.00 H new ATOM 0 HD1 PHE A 127 0.418 4.830 12.072 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -0.960 3.488 8.272 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -0.492 7.066 11.614 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -1.871 5.721 7.810 1.00 0.00 H new ATOM 0 HZ PHE A 127 -1.636 7.517 9.480 1.00 0.00 H new ATOM 1953 N ALA A 128 -2.397 1.028 10.226 1.00 0.00 N ATOM 1954 CA ALA A 128 -3.790 1.003 9.800 1.00 0.00 C ATOM 1955 C ALA A 128 -4.716 0.622 10.949 1.00 0.00 C ATOM 1956 O ALA A 128 -5.933 0.776 10.852 1.00 0.00 O ATOM 1957 CB ALA A 128 -3.968 0.041 8.637 1.00 0.00 C ATOM 0 H ALA A 128 -1.806 0.329 9.775 1.00 0.00 H new ATOM 0 HA ALA A 128 -4.059 2.008 9.474 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -5.013 0.032 8.329 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -3.346 0.362 7.801 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -3.672 -0.962 8.946 1.00 0.00 H new ATOM 1963 N ALA A 129 -4.134 0.129 12.038 1.00 0.00 N ATOM 1964 CA ALA A 129 -4.911 -0.274 13.204 1.00 0.00 C ATOM 1965 C ALA A 129 -5.488 0.940 13.925 1.00 0.00 C ATOM 1966 O ALA A 129 -6.437 0.822 14.699 1.00 0.00 O ATOM 1967 CB ALA A 129 -4.051 -1.094 14.154 1.00 0.00 C ATOM 0 H ALA A 129 -3.127 -0.001 12.137 1.00 0.00 H new ATOM 0 HA ALA A 129 -5.742 -0.890 12.861 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -4.644 -1.388 15.020 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -3.691 -1.986 13.641 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -3.201 -0.496 14.483 1.00 0.00 H new ATOM 1973 N GLY A 130 -4.907 2.106 13.662 1.00 0.00 N ATOM 1974 CA GLY A 130 -5.375 3.329 14.291 1.00 0.00 C ATOM 1975 C GLY A 130 -6.400 4.056 13.444 1.00 0.00 C ATOM 1976 O GLY A 130 -6.972 5.058 13.872 1.00 0.00 O ATOM 0 H GLY A 130 -4.120 2.227 13.024 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -5.811 3.092 15.261 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -4.526 3.988 14.475 1.00 0.00 H new ATOM 1980 N HIS A 131 -6.630 3.548 12.238 1.00 0.00 N ATOM 1981 CA HIS A 131 -7.595 4.149 11.326 1.00 0.00 C ATOM 1982 C HIS A 131 -9.021 3.749 11.700 1.00 0.00 C ATOM 1983 O HIS A 131 -9.244 2.670 12.247 1.00 0.00 O ATOM 1984 CB HIS A 131 -7.289 3.735 9.884 1.00 0.00 C ATOM 1985 CG HIS A 131 -6.350 4.666 9.182 1.00 0.00 C ATOM 1986 ND1 HIS A 131 -5.094 4.473 8.716 1.00 0.00 N flip ATOM 1987 CD2 HIS A 131 -6.670 5.974 8.886 1.00 0.00 C flip ATOM 1988 CE1 HIS A 131 -4.684 5.657 8.153 1.00 0.00 C flip ATOM 1989 NE2 HIS A 131 -5.651 6.547 8.267 1.00 0.00 N flip ATOM 0 H HIS A 131 -6.161 2.721 11.870 1.00 0.00 H new ATOM 0 HA HIS A 131 -7.513 5.233 11.408 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -6.861 2.733 9.885 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -8.222 3.682 9.324 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -7.607 6.456 9.123 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -3.724 5.831 7.691 1.00 0.00 H new ATOM 0 HE2 HIS A 131 -5.619 7.511 7.935 1.00 0.00 H new ATOM 1998 N PRO A 132 -10.005 4.622 11.417 1.00 0.00 N ATOM 1999 CA PRO A 132 -11.414 4.352 11.729 1.00 0.00 C ATOM 2000 C PRO A 132 -11.915 3.058 11.091 1.00 0.00 C ATOM 2001 O PRO A 132 -12.724 2.339 11.678 1.00 0.00 O ATOM 2002 CB PRO A 132 -12.152 5.558 11.140 1.00 0.00 C ATOM 2003 CG PRO A 132 -11.126 6.634 11.057 1.00 0.00 C ATOM 2004 CD PRO A 132 -9.824 5.937 10.778 1.00 0.00 C ATOM 0 HA PRO A 132 -11.572 4.221 12.800 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -12.563 5.328 10.157 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -12.988 5.857 11.773 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -11.367 7.344 10.266 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -11.076 7.199 11.988 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -9.638 5.843 9.708 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -8.978 6.478 11.202 1.00 0.00 H new ATOM 2012 N GLU A 133 -11.430 2.769 9.887 1.00 0.00 N ATOM 2013 CA GLU A 133 -11.827 1.562 9.171 1.00 0.00 C ATOM 2014 C GLU A 133 -10.787 0.465 9.341 1.00 0.00 C ATOM 2015 O GLU A 133 -10.724 -0.473 8.547 1.00 0.00 O ATOM 2016 CB GLU A 133 -12.027 1.862 7.687 1.00 0.00 C ATOM 2017 CG GLU A 133 -13.214 2.765 7.408 1.00 0.00 C ATOM 2018 CD GLU A 133 -12.920 4.225 7.690 1.00 0.00 C ATOM 2019 OE1 GLU A 133 -12.000 4.779 7.053 1.00 0.00 O ATOM 2020 OE2 GLU A 133 -13.614 4.815 8.543 1.00 0.00 O ATOM 0 H GLU A 133 -10.761 3.355 9.387 1.00 0.00 H new ATOM 0 HA GLU A 133 -12.770 1.216 9.593 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -11.124 2.330 7.294 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -12.160 0.923 7.149 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -13.512 2.654 6.365 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -14.059 2.445 8.017 1.00 0.00 H new ATOM 2027 N ALA A 134 -9.968 0.602 10.378 1.00 0.00 N ATOM 2028 CA ALA A 134 -8.923 -0.370 10.675 1.00 0.00 C ATOM 2029 C ALA A 134 -9.424 -1.794 10.478 1.00 0.00 C ATOM 2030 O ALA A 134 -8.751 -2.621 9.863 1.00 0.00 O ATOM 2031 CB ALA A 134 -8.420 -0.185 12.098 1.00 0.00 C ATOM 0 H ALA A 134 -10.009 1.384 11.032 1.00 0.00 H new ATOM 0 HA ALA A 134 -8.100 -0.201 9.981 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -7.640 -0.917 12.306 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -8.014 0.820 12.213 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -9.245 -0.325 12.797 1.00 0.00 H new ATOM 2037 N ALA A 135 -10.610 -2.073 11.009 1.00 0.00 N ATOM 2038 CA ALA A 135 -11.206 -3.396 10.895 1.00 0.00 C ATOM 2039 C ALA A 135 -11.306 -3.842 9.439 1.00 0.00 C ATOM 2040 O ALA A 135 -11.000 -4.987 9.111 1.00 0.00 O ATOM 2041 CB ALA A 135 -12.580 -3.410 11.547 1.00 0.00 C ATOM 0 H ALA A 135 -11.177 -1.398 11.523 1.00 0.00 H new ATOM 0 HA ALA A 135 -10.557 -4.101 11.414 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -13.016 -4.405 11.455 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -12.485 -3.151 12.602 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -13.225 -2.684 11.052 1.00 0.00 H new ATOM 2047 N ALA A 136 -11.737 -2.935 8.570 1.00 0.00 N ATOM 2048 CA ALA A 136 -11.882 -3.246 7.154 1.00 0.00 C ATOM 2049 C ALA A 136 -10.527 -3.435 6.478 1.00 0.00 C ATOM 2050 O ALA A 136 -10.371 -4.293 5.611 1.00 0.00 O ATOM 2051 CB ALA A 136 -12.673 -2.151 6.454 1.00 0.00 C ATOM 0 H ALA A 136 -11.992 -1.980 8.821 1.00 0.00 H new ATOM 0 HA ALA A 136 -12.426 -4.187 7.074 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -12.775 -2.395 5.396 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -13.662 -2.072 6.905 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -12.150 -1.201 6.559 1.00 0.00 H new ATOM 2057 N ILE A 137 -9.554 -2.627 6.881 1.00 0.00 N ATOM 2058 CA ILE A 137 -8.214 -2.686 6.305 1.00 0.00 C ATOM 2059 C ILE A 137 -7.494 -4.005 6.592 1.00 0.00 C ATOM 2060 O ILE A 137 -7.001 -4.656 5.670 1.00 0.00 O ATOM 2061 CB ILE A 137 -7.345 -1.524 6.821 1.00 0.00 C ATOM 2062 CG1 ILE A 137 -7.949 -0.186 6.393 1.00 0.00 C ATOM 2063 CG2 ILE A 137 -5.918 -1.661 6.311 1.00 0.00 C ATOM 2064 CD1 ILE A 137 -7.281 1.011 7.029 1.00 0.00 C ATOM 0 H ILE A 137 -9.668 -1.920 7.607 1.00 0.00 H new ATOM 0 HA ILE A 137 -8.351 -2.607 5.227 1.00 0.00 H new ATOM 0 HB ILE A 137 -7.320 -1.559 7.910 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -7.880 -0.096 5.309 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -9.009 -0.178 6.647 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -5.317 -0.832 6.685 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -5.495 -2.603 6.661 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -5.918 -1.647 5.221 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -7.762 1.925 6.679 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -7.372 0.945 8.113 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -6.226 1.028 6.754 1.00 0.00 H new ATOM 2076 N TYR A 138 -7.433 -4.402 7.861 1.00 0.00 N ATOM 2077 CA TYR A 138 -6.734 -5.631 8.232 1.00 0.00 C ATOM 2078 C TYR A 138 -7.436 -6.865 7.670 1.00 0.00 C ATOM 2079 O TYR A 138 -6.781 -7.833 7.283 1.00 0.00 O ATOM 2080 CB TYR A 138 -6.587 -5.732 9.757 1.00 0.00 C ATOM 2081 CG TYR A 138 -7.678 -6.520 10.450 1.00 0.00 C ATOM 2082 CD1 TYR A 138 -8.851 -5.905 10.857 1.00 0.00 C ATOM 2083 CD2 TYR A 138 -7.526 -7.878 10.700 1.00 0.00 C ATOM 2084 CE1 TYR A 138 -9.848 -6.621 11.496 1.00 0.00 C ATOM 2085 CE2 TYR A 138 -8.517 -8.601 11.337 1.00 0.00 C ATOM 2086 CZ TYR A 138 -9.676 -7.968 11.733 1.00 0.00 C ATOM 2087 OH TYR A 138 -10.664 -8.684 12.368 1.00 0.00 O ATOM 0 H TYR A 138 -7.853 -3.898 8.642 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.737 -5.592 7.793 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -5.625 -6.192 9.985 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -6.566 -4.725 10.173 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -8.989 -4.850 10.673 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -6.619 -8.377 10.392 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -10.756 -6.127 11.807 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -8.384 -9.656 11.524 1.00 0.00 H new ATOM 0 HH TYR A 138 -10.385 -9.619 12.456 1.00 0.00 H new ATOM 2097 N ARG A 139 -8.763 -6.833 7.626 1.00 0.00 N ATOM 2098 CA ARG A 139 -9.526 -7.957 7.095 1.00 0.00 C ATOM 2099 C ARG A 139 -9.405 -7.999 5.577 1.00 0.00 C ATOM 2100 O ARG A 139 -9.448 -9.067 4.968 1.00 0.00 O ATOM 2101 CB ARG A 139 -10.997 -7.861 7.511 1.00 0.00 C ATOM 2102 CG ARG A 139 -11.753 -6.724 6.845 1.00 0.00 C ATOM 2103 CD ARG A 139 -13.145 -6.562 7.434 1.00 0.00 C ATOM 2104 NE ARG A 139 -13.932 -7.786 7.328 1.00 0.00 N ATOM 2105 CZ ARG A 139 -15.141 -7.933 7.860 1.00 0.00 C ATOM 2106 NH1 ARG A 139 -15.699 -6.936 8.534 1.00 0.00 N ATOM 2107 NH2 ARG A 139 -15.795 -9.079 7.721 1.00 0.00 N ATOM 0 H ARG A 139 -9.329 -6.048 7.949 1.00 0.00 H new ATOM 0 HA ARG A 139 -9.117 -8.879 7.508 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -11.493 -8.802 7.274 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -11.051 -7.736 8.592 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -11.195 -5.795 6.965 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -11.829 -6.914 5.774 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -13.063 -6.274 8.482 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -13.664 -5.753 6.920 1.00 0.00 H new ATOM 0 HE ARG A 139 -13.532 -8.573 6.817 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -15.200 -6.053 8.645 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -16.627 -7.052 8.941 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -15.370 -9.849 7.205 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -16.723 -9.190 8.130 1.00 0.00 H new ATOM 2121 N ALA A 140 -9.253 -6.822 4.977 1.00 0.00 N ATOM 2122 CA ALA A 140 -9.111 -6.713 3.533 1.00 0.00 C ATOM 2123 C ALA A 140 -7.823 -7.384 3.068 1.00 0.00 C ATOM 2124 O ALA A 140 -7.768 -7.963 1.983 1.00 0.00 O ATOM 2125 CB ALA A 140 -9.132 -5.254 3.105 1.00 0.00 C ATOM 0 H ALA A 140 -9.225 -5.930 5.471 1.00 0.00 H new ATOM 0 HA ALA A 140 -9.953 -7.224 3.067 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -9.025 -5.191 2.022 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -10.078 -4.801 3.403 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -8.309 -4.723 3.583 1.00 0.00 H new ATOM 2131 N ILE A 141 -6.789 -7.299 3.900 1.00 0.00 N ATOM 2132 CA ILE A 141 -5.499 -7.900 3.581 1.00 0.00 C ATOM 2133 C ILE A 141 -5.371 -9.293 4.190 1.00 0.00 C ATOM 2134 O ILE A 141 -4.502 -10.073 3.799 1.00 0.00 O ATOM 2135 CB ILE A 141 -4.333 -7.026 4.081 1.00 0.00 C ATOM 2136 CG1 ILE A 141 -4.414 -6.851 5.600 1.00 0.00 C ATOM 2137 CG2 ILE A 141 -4.349 -5.674 3.383 1.00 0.00 C ATOM 2138 CD1 ILE A 141 -3.221 -6.132 6.194 1.00 0.00 C ATOM 0 H ILE A 141 -6.820 -6.820 4.800 1.00 0.00 H new ATOM 0 HA ILE A 141 -5.449 -7.976 2.495 1.00 0.00 H new ATOM 0 HB ILE A 141 -3.394 -7.525 3.842 1.00 0.00 H new ATOM 0 HG12 ILE A 141 -5.320 -6.297 5.845 1.00 0.00 H new ATOM 0 HG13 ILE A 141 -4.505 -7.832 6.066 1.00 0.00 H new ATOM 0 HG21 ILE A 141 -3.520 -5.067 3.746 1.00 0.00 H new ATOM 0 HG22 ILE A 141 -4.249 -5.819 2.307 1.00 0.00 H new ATOM 0 HG23 ILE A 141 -5.290 -5.166 3.595 1.00 0.00 H new ATOM 0 HD11 ILE A 141 -3.349 -6.045 7.273 1.00 0.00 H new ATOM 0 HD12 ILE A 141 -2.313 -6.696 5.980 1.00 0.00 H new ATOM 0 HD13 ILE A 141 -3.141 -5.137 5.757 1.00 0.00 H new ATOM 2150 N ASP A 142 -6.241 -9.598 5.148 1.00 0.00 N ATOM 2151 CA ASP A 142 -6.221 -10.897 5.814 1.00 0.00 C ATOM 2152 C ASP A 142 -6.552 -12.018 4.832 1.00 0.00 C ATOM 2153 O ASP A 142 -5.608 -12.577 4.236 1.00 0.00 O ATOM 2154 CB ASP A 142 -7.213 -10.914 6.978 1.00 0.00 C ATOM 2155 CG ASP A 142 -7.205 -12.233 7.726 1.00 0.00 C ATOM 2156 OD1 ASP A 142 -6.385 -12.383 8.655 1.00 0.00 O ATOM 2157 OD2 ASP A 142 -8.019 -13.115 7.384 1.00 0.00 O ATOM 2158 OXT ASP A 142 -7.751 -12.326 4.668 1.00 0.00 O ATOM 0 H ASP A 142 -6.968 -8.965 5.481 1.00 0.00 H new ATOM 0 HA ASP A 142 -5.215 -11.062 6.201 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -6.972 -10.106 7.669 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -8.217 -10.720 6.599 1.00 0.00 H new